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4'-phosphopantetheine phosphatase

Phosphatase which shows a preference for 4'-phosphopantetheine and its oxidatively damaged forms (sulfonate or S-sulfonate), providing strong indirect evidence that the phosphatase activity pre-empts damage in the coenzyme A (CoA) pathway. Hydrolyzing excess 4'-phosphopantetheine could constitute a directed overflow mechanism to prevent its oxidation to the S-sulfonate, sulfonate, or other forms. Hydrolyzing 4'-phosphopantetheine sulfonate or S-sulfonate would forestall their conversion to inactive forms of CoA and acyl carrier protein. May play a role in the physiological regulation of CoA intracellular levels.

AlphaFold DB , UniProt , Accession G4VQ30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 841 aa.

						>G4VQ30_SCHMA|G4VQ30
MSYASAVDISKFSDPLFDHGAHENIFALDIGGSLAKLVYKRVFRYRRSVPQQCCKSVSENEIPFDFYEYTEHEDEGQKLCFMKFETKNIEECLDFILFNITHQGTLSKKTINKIKVTGGGAYRYRELICSKLGVELDKEDEMDCLVRGCVFMLRNIPDELFYYDKHATPAHVFVPNCLVSTFPFLLVNVGSGVSFLKVESPTSYQRVGGTSIGGGTFWGLGTLLSGGKFTFDELLEMADSGDHRHVDMLVRDIYGGAYEALGLSGDVIASSFGLAARHPEQPRVLGDMVKSLLITVSNNIGQLACLYAKQHSLTRIIFGGYFIRGHGLTMEVITYAVRFWSGGEYKALFLRHEGYLGAVGAFLKACTNNNSTERKALWSENYVVSSGNTPFSDIPFESKLYATNHSKGEIDFSKVSSHDLPIVNSIGKVSNPNHSIIAQKAEESNSVSKRSSKSTSQKHEISKLPNFELDRVFTHSLEMFHLLESPANYSPDTWDLTHDEEARIYWLGCFESCIEYHRAKAEESQSDTLSDASDRSHQFAERYKRFLRELSADPSGHGVLTVRCLLSAQQHFLREYGFGDVFCLQKRFENRAALSALTDRLSELSKLDWSNRQLSLIEGLLAGNMFDWGAAEAIQFLKEAPKNKFGAADFHAILDKVQSRPWLVDNYDNWINRISVSGSPYRCILIFCDNSGADIILGVLPFAMEFLSRGCKVIMTANSSPAINDITYQELELLLHMIASFEPLIAESLNNGQLMLAENGQTSPCLDFRLLASSLVQLAEREQVDLIVIEGMGRAIHCNLNSKFTVDTLKIAVIKNSWLARRLGGQLYGVIFKFEPVSQSR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.3	Very low	28.4	Very low	186 Å²	186	89.7 Å²	89.7	92%	0.916	50%	0.497	S	S	*	.				0	129.2	0	-65.1	163	-177.9	0	0	106.3
2	S	24.6	Very low	28.4	Very low	68 Å²	68	94.4 Å²	94.4	48%	0.476	51%	0.509	S	S	.	.			trans	-152.4	118.9	-170.4	-172.1	0	0	0	0	113.3	A4	S2-A4 PolarHBondContact O-N 2.74Å; S2-A4 WeakPolarHBondContact OG-CB 3.46Å
3	Y	30.4	Very low	28.3	Very low	90 Å²	90	94.2 Å²	94.2	35%	0.353	52%	0.519	S	S	.	.	S	Bend	trans	-77.1	72.5	169.6	-65.3	-76	0	0	0	110	P465	Y3-P465 VanDerWaalsContact O-CD 3.29Å; Y3-P465 WeakPolarHBondContact O-CD 3.32Å; Y3-P465 VanDerWaalsContact O-CG 3.28Å; Y3-P465 WeakPolarHBondContact O-CG 3.24Å
4	A	29.5	Very low	28.5	Very low	29 Å²	29	94.1 Å²	94.1	24%	0.24	52%	0.518	C	S	.	.			trans	-158.3	84.9	-174.5	0	0	0	0	0	113.4	S2 K463	S2-A4 PolarHBondContact O-N 2.74Å; S2-A4 WeakPolarHBondContact OG-CB 3.46Å; A4-K463 WeakPolarHBondContact CB-O 3.44Å
5	S	26.7	Very low	28.6	Very low	52 Å²	52	95.9 Å²	95.9	36%	0.364	54%	0.535	S	S	.	.			trans	-143.6	108.2	164.2	-169.9	0	0	0	0	116.4	L464	S5-L464 CarbonylContact C-O 3.44Å
6	A	29.2	Very low	28.7	Very low	42 Å²	42	99.4 Å²	99.4	35%	0.347	55%	0.551	S	S	.	*			trans	-94.3	165.6	-173.1	0	0	0	0	0	114	K463 L464	A6-K463 HydrophobicContact CB-CB 4.48Å; A6-L464 WeakPolarHBondContact CA-O 3.27Å; A6-L464 HydrophobicContact CB-CB 4.03Å; A6-L464 HydrophobicContact CB-CG 4.35Å; A6-L464 WeakPolarHBondContact CB-O 3.33Å; A6-L464 PolarHBondContact N-O 3.37Å
7	V	27.7	Very low	29.1	Very low	63 Å²	63	99.9 Å²	99.9	38%	0.382	55%	0.547	S	S	.	.			trans	-112.6	136.6	-173.5	-176	0	0	0	0	109.3	I9 F12	V7-I9 VanDerWaalsContact C-N 3.34Å; V7-I9 PolarHBondContact O-N 3.23Å; V7-F12 HydrophobicContact CG1-CD2 4.18Å; V7-F12 HydrophobicContact CG1-CE2 4.33Å
8	D	29.1	Very low	29.4	Very low	111 Å²	111	100.9 Å²	100.9	59%	0.594	55%	0.552	S	S	*	*			trans	-68.5	94.5	161.9	178.5	0.5	0	0	0	108.6	S10 K11	D8-S10 PolarHBondContact O-N 2.78Å; D8-S10 VanDerWaalsContact O-N 3.12Å; D8-S10 VanDerWaalsContact OD1-CB 3.22Å; D8-S10 WeakPolarHBondContact OD1-CB 3.17Å; D8-S10 PolarHBondContact OD1-N 2.72Å; D8-S10 VanDerWaalsContact OD1-N 3.08Å; D8-S10 PolarHBondContact OD1-OG 2.75Å; D8-S10 PolarHBondContact OD2-OG 2.8Å; D8-K11 PolarHBondContact O-N 3.28Å
9	I	31.8	Very low	30.2	Very low	80 Å²	80	99.5 Å²	99.5	41%	0.41	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-68	-3.5	-177.9	60.1	172.9	0	0	0	113.6	V7 K11 F12 F95	V7-I9 VanDerWaalsContact C-N 3.34Å; V7-I9 PolarHBondContact O-N 3.23Å; I9-K11 PolarHBondContact O-N 3.23Å; I9-F12 PolarHBondContact O-N 3.01Å; I9-F95 HydrophobicContact CD1-CD2 3.75Å; I9-F95 HydrophobicContact CD1-CE2 3.75Å
10	S	27.5	Very low	30.4	Very low	86 Å²	86	96.2 Å²	96.2	60%	0.601	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-64.1	-9	172.4	71.7	0	0	0	0	113.8	D8	D8-S10 PolarHBondContact O-N 2.78Å; D8-S10 VanDerWaalsContact O-N 3.12Å; D8-S10 VanDerWaalsContact OD1-CB 3.22Å; D8-S10 WeakPolarHBondContact OD1-CB 3.17Å; D8-S10 PolarHBondContact OD1-N 2.72Å; D8-S10 VanDerWaalsContact OD1-N 3.08Å; D8-S10 PolarHBondContact OD1-OG 2.75Å; D8-S10 PolarHBondContact OD2-OG 2.8Å
11	K	28.3	Very low	30.9	Very low	180 Å²	180	96.8 Å²	96.8	78%	0.783	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-100.6	-5.8	170.5	-63.9	-172	177.9	-174.5	0	114.7	D8 I9 S13	D8-K11 PolarHBondContact O-N 3.28Å; I9-K11 PolarHBondContact O-N 3.23Å; K11-S13 VanDerWaalsContact C-N 3.35Å
12	F	28.8	Very low	32.1	Very low	146 Å²	146	92.4 Å²	92.4	64%	0.64	53%	0.525	S	S	*	.			trans	-99.5	33	176.6	-95.5	-73.8	0	0	0	112.5	V7 I9 D14	V7-F12 HydrophobicContact CG1-CD2 4.18Å; V7-F12 HydrophobicContact CG1-CE2 4.33Å; I9-F12 PolarHBondContact O-N 3.01Å; F12-D14 PolarHBondContact O-N 3.35Å
13	S	27.6	Very low	33.8	Very low	92 Å²	92	93.6 Å²	93.6	64%	0.643	52%	0.523	S	S	*	.			trans	-89.8	81	163.1	61.7	0	0	0	0	109.6	K11 P15	K11-S13 VanDerWaalsContact C-N 3.35Å; S13-P15 VanDerWaalsContact O-CD 3.23Å; S13-P15 WeakPolarHBondContact O-CD 3.35Å
14	D	30.7	Very low	35.8	Very low	93 Å²	93	91.6 Å²	91.6	50%	0.497	52%	0.519	S	S	.	.			trans	-82.7	106.8	164.8	-170.3	-16.5	0	0	0	108.5	F12 L16 F17	F12-D14 PolarHBondContact O-N 3.35Å; D14-L16 PolarHBondContact O-N 3.26Å; D14-L16 VanDerWaalsContact O-N 3.16Å; D14-L16 PolarHBondContact OD1-N 3.37Å; D14-F17 HydrophobicContact CB-CD2 4.07Å; D14-F17 HydrophobicContact CB-CE2 4Å
15	P	29.6	Very low	38.3	Very low	120 Å²	120	91.3 Å²	91.3	78%	0.779	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	3.5	-168.2	-12.2	31	0	0	0	114	S13	S13-P15 VanDerWaalsContact O-CD 3.23Å; S13-P15 WeakPolarHBondContact O-CD 3.35Å
16	L	31	Very low	41.3	Very low	152 Å²	152	89.2 Å²	89.2	80%	0.796	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-1.4	-169	-77.1	153.5	0	0	0	114.7	D14 D18	D14-L16 PolarHBondContact O-N 3.26Å; D14-L16 VanDerWaalsContact O-N 3.16Å; D14-L16 PolarHBondContact OD1-N 3.37Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.18Å
17	F	34.8	Very low	44.4	Very low	108 Å²	108	87.2 Å²	87.2	47%	0.474	48%	0.48	S	S	.	.			trans	-73.7	84.2	174.4	-77.2	-83.5	0	0	0	111.9	D14 H19	D14-F17 HydrophobicContact CB-CD2 4.07Å; D14-F17 HydrophobicContact CB-CE2 4Å; F17-H19 VanDerWaalsContact C-N 3.28Å; F17-H19 PolarHBondContact O-N 2.96Å
18	D	35.3	Very low	47.7	Very low	119 Å²	119	84.2 Å²	84.2	64%	0.636	46%	0.462	S	S	*	.			trans	-67.6	89.2	164.8	-173.3	21	0	0	0	109.9	L16 G20 R44	L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.18Å; D18-G20 VanDerWaalsContact C-N 3.31Å; D18-G20 PolarHBondContact O-N 2.83Å; D18-R44 PolarHBondContact O-NH2 2.82Å
19	H	43.1	Very low	50.9	Low	74 Å²	74	79.6 Å²	79.6	34%	0.343	44%	0.438	S	S	.	.			trans	-72.6	86	173.1	-69.2	-47.7	0	0	0	109.8	F17 H102	F17-H19 VanDerWaalsContact C-N 3.28Å; F17-H19 PolarHBondContact O-N 2.96Å; H19-H102 AromaticContact CD2-CE1 3.71Å; H19-H102 AromaticContact CD2-NE2 3.86Å; H19-H102 AromaticContact NE2-CE1 3.87Å
20	G	35.8	Very low	54	Low	32 Å²	32	75.8 Å²	75.8	33%	0.33	42%	0.418	S	S	.	.			trans	-48.7	162.3	160.5	0	0	0	0	0	111.8	D18 H22	D18-G20 VanDerWaalsContact C-N 3.31Å; D18-G20 PolarHBondContact O-N 2.83Å; G20-H22 PolarHBondContact O-CD2 3.28Å; G20-H22 PolarHBondContact O-N 3.27Å
21	A	40.5	Very low	57.1	Low	109 Å²	109	72.3 Å²	72.3	90%	0.901	40%	0.396	S	S	*	.	S	Bend	trans	-71.1	61.6	-158.4	0	0	0	0	0	116.3
22	H	51.4	Low	59.9	Low	95 Å²	95	66.9 Å²	66.9	44%	0.44	39%	0.391	S	S	.	.			trans	-91	147.2	172	-57.8	-73.5	0	0	0	110.6	G20 N24 E75	G20-H22 PolarHBondContact O-CD2 3.28Å; G20-H22 PolarHBondContact O-N 3.27Å; H22-N24 PolarHBondContact O-N 2.77Å; H22-E75 IonicContact CE1-OE2 2.85Å; H22-E75 IonicContact NE2-OE2 2.68Å
23	E	60.3	Low	62.6	Low	93 Å²	93	61.6 Å²	61.6	44%	0.435	37%	0.372	S	S	.	.			trans	-80.4	116.3	-179.7	-160	167.4	-126.2	0	0	109.5	I25 T110 N369	E23-I25 PolarHBondContact O-N 3.23Å; E23-T110 HydrophobicContact CG-CG2 4.32Å; E23-N369 PolarHBondContact OE2-ND2 2.72Å
24	N	73.1	Confident	65.6	Low	48 Å²	48	58 Å²	58	26%	0.257	35%	0.346	S	S	.	.			trans	-77.1	87	-177.7	-68.5	-23.2	0	0	0	109.8	H22 F26 I100 I111	H22-N24 PolarHBondContact O-N 2.77Å; N24-F26 WeakPolarHBondContact O-CD1 3.31Å; N24-I100 HydrophobicContact CB-CG2 4.04Å; N24-I100 PolarHBondContact ND2-O 3.03Å; N24-I111 HydrophobicContact CB-CD1 4.11Å
25	I	82.1	Confident	68.5	Low	23 Å²	23	53.6 Å²	53.6	12%	0.118	32%	0.322	C	S	.	.			trans	-76.4	123.7	-179.3	-54.8	177.7	0	0	0	110.1	E23 K40 F362 A365	E23-I25 PolarHBondContact O-N 3.23Å; I25-K40 HydrophobicContact CB-CB 4.48Å; I25-K40 PolarHBondContact O-N 3.17Å; I25-F362 HydrophobicContact CB-CE2 4.08Å; I25-F362 HydrophobicContact CG2-CD2 3.92Å; I25-F362 HydrophobicContact CG2-CE2 3.61Å; I25-F362 HydrophobicContact CG2-CZ 4.26Å; I25-A365 HydrophobicContact CG2-CB 3.74Å
26	F	90.3	Very high	71.6	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.5	171.1	67.2	-81	0	0	0	111.6	N24 L37 V38 I96 I100 T101 I111 I114 L132	N24-F26 WeakPolarHBondContact O-CD1 3.31Å; F26-L37 HydrophobicContact CB-CD1 4.14Å; F26-L37 HydrophobicContact CD2-CD1 3.93Å; F26-L37 HydrophobicContact CG-CD1 4.47Å; F26-V38 CarbonylContact C-O 3.19Å; F26-V38 WeakPolarHBondContact CA-O 3.4Å; F26-I96 HydrophobicContact CD2-CD1 4.28Å; F26-I96 HydrophobicContact CD2-CG1 4.4Å; F26-I96 HydrophobicContact CD2-CG2 4.13Å; F26-I96 HydrophobicContact CE1-CG2 4.2Å; F26-I96 HydrophobicContact CE2-CB 4.46Å; F26-I96 HydrophobicContact CE2-CD1 4.02Å; F26-I96 HydrophobicContact CE2-CG1 4.25Å; F26-I96 HydrophobicContact CE2-CG2 3.38Å; F26-I96 HydrophobicContact CZ-CG2 3.43Å; F26-I96 VanDerWaalsContact CZ-CG2 3.43Å; F26-I100 HydrophobicContact CD1-CG2 3.67Å; F26-I100 HydrophobicContact CE1-CG2 4.1Å; F26-I100 HydrophobicContact CG-CG2 4.25Å; F26-T101 HydrophobicContact CE1-CG2 4.1Å; F26-T101 HydrophobicContact CZ-CG2 4.21Å; F26-I111 HydrophobicContact CE1-CD1 4.13Å; F26-I111 HydrophobicContact CE1-CG2 4.32Å; F26-I114 HydrophobicContact CD2-CD1 3.98Å; F26-I114 HydrophobicContact CD2-CG1 4.21Å; F26-I114 HydrophobicContact CE2-CD1 3.31Å; F26-I114 HydrophobicContact CE2-CG1 3.76Å; F26-I114 HydrophobicContact CZ-CD1 4.05Å; F26-I114 HydrophobicContact CZ-CG1 4.24Å; F26-L132 HydrophobicContact CE2-CD1 4.27Å; F26-L132 HydrophobicContact CZ-CD1 4.34Å
27	A	94.4	Very high	74.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159.7	177.8	0	0	0	0	0	112.3	V38 K115 A361 F362	A27-V38 PolarHBondContact N-O 3.32Å; A27-V38 PolarHBondContact O-N 3.13Å; A27-K115 WeakPolarHBondContact CA-O 3.47Å; A27-K115 HydrophobicContact CB-CB 4.5Å; A27-K115 WeakPolarHBondContact CB-O 3.47Å; A27-A361 VanDerWaalsContact CB-C 3.47Å; A27-A361 HydrophobicContact CB-CB 3.72Å; A27-F362 HydrophobicContact CB-CB 3.98Å; A27-F362 VanDerWaalsContact CB-N 3.28Å
28	L	96.1	Very high	77.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.8	-175.8	-74.6	169	0	0	0	112.1	I30 K36 L37 I96 I114 K115 V116 T117	L28-I30 HydrophobicContact CB-CD1 4.49Å; L28-I30 HydrophobicContact CB-CG1 4.09Å; L28-I30 HydrophobicContact CD1-CD1 4.31Å; L28-K36 WeakPolarHBondContact CA-O 3.24Å; L28-L37 HydrophobicContact CD2-CB 3.85Å; L28-L37 HydrophobicContact CD2-CD1 3.91Å; L28-L37 HydrophobicContact CD2-CG 4.44Å; L28-L37 HydrophobicContact CG-CD1 4.33Å; L28-I96 HydrophobicContact CD1-CD1 4.05Å; L28-I96 HydrophobicContact CD2-CD1 4.27Å; L28-I96 HydrophobicContact CG-CD1 4.43Å; L28-I114 HydrophobicContact CD1-CD1 3.84Å; L28-I114 HydrophobicContact CG-CD1 4.38Å; L28-K115 PolarHBondContact N-O 3.03Å; L28-V116 HydrophobicContact CB-CG1 3.97Å; L28-V116 HydrophobicContact CB-CG2 4.28Å; L28-V116 HydrophobicContact CD1-CG2 4.49Å; L28-V116 CarbonylContact O-C 3.57Å; L28-V116 WeakPolarHBondContact O-CA 3.5Å; L28-T117 PolarHBondContact O-N 3.19Å
29	D	97	Very high	79.8	Confident	15 Å²	15	31.5 Å²	31.5	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.1	156.6	163.1	29	0	0	0	108.5	A35 K36 T117 A358	D29-A35 CarbonylContact O-C 3.53Å; D29-A35 VanDerWaalsContact O-CA 3.28Å; D29-A35 WeakPolarHBondContact O-CA 3.37Å; D29-K36 HydrophobicContact CB-CD 4.09Å; D29-K36 PolarHBondContact N-O 2.98Å; D29-K36 PolarHBondContact O-N 3.49Å; D29-K36 IonicContact OD1-NZ 2.94Å; D29-K36 WeakPolarHBondContact OD2-CD 3.2Å; D29-K36 WeakPolarHBondContact OD2-CE 3.45Å; D29-K36 IonicContact OD2-NZ 2.69Å; D29-K36 PolarHBondContact OD2-NZ 3.07Å; D29-T117 HydrophobicContact CB-CG2 3.85Å; D29-A358 HydrophobicContact CB-CB 3.95Å
30	I	96.3	Very high	81.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	84.4	179.3	-47.8	176.3	0	0	0	108.8	L28 A35 T86 I89 V116 T117 G118 G120 Y124 I128	L28-I30 HydrophobicContact CB-CD1 4.49Å; L28-I30 HydrophobicContact CB-CG1 4.09Å; L28-I30 HydrophobicContact CD1-CD1 4.31Å; I30-A35 HydrophobicContact CG1-CB 4.41Å; I30-A35 HydrophobicContact CG2-CB 4.26Å; I30-T86 HydrophobicContact CG2-CG2 3.91Å; I30-I89 HydrophobicContact CD1-CD1 3.94Å; I30-I89 HydrophobicContact CG1-CD1 4.28Å; I30-I89 HydrophobicContact CG2-CD1 4.22Å; I30-V116 HydrophobicContact CD1-CG1 3.67Å; I30-V116 HydrophobicContact CG1-CG1 3.95Å; I30-T117 PolarHBondContact N-O 3.21Å; I30-G118 CarbonylContact O-C 3.57Å; I30-G120 WeakPolarHBondContact O-CA 3.45Å; I30-G120 PolarHBondContact O-N 3Å; I30-Y124 HydrophobicContact CG2-CD2 3.96Å; I30-Y124 HydrophobicContact CG2-CE2 4.16Å; I30-I128 HydrophobicContact CD1-CD1 3.55Å
31	G	92	Very high	84	Confident	13 Å²	13	33.1 Å²	33.1	13%	0.134	20%	0.196	C	C	.	.			trans	-73.1	172.6	173.9	0	0	0	0	0	112.7	S33 L34 T86	G31-S33 VanDerWaalsContact C-N 3.27Å; G31-S33 PolarHBondContact O-N 3.33Å; G31-L34 PolarHBondContact N-O 3.32Å; G31-L34 VanDerWaalsContact N-O 3.08Å; G31-T86 WeakPolarHBondContact O-CG2 3.45Å; G31-T86 PolarHBondContact O-OG1 2.86Å
32	G	87.5	Confident	85.8	Confident	66 Å²	66	29.3 Å²	29.3	68%	0.68	16%	0.161	S	C	*	.	S	Bend	trans	-62.1	-29.1	-178.2	0	0	0	0	0	115
33	S	86	Confident	87.1	Confident	35 Å²	35	26.6 Å²	26.6	25%	0.245	15%	0.148	C	C	.	.	S	Bend	trans	-114.3	-36.7	-177.6	-50.5	0	0	0	0	113.9	G31 T86 S191	G31-S33 VanDerWaalsContact C-N 3.27Å; G31-S33 PolarHBondContact O-N 3.33Å; S33-T86 PolarHBondContact O-N 3.03Å; S33-T86 PolarHBondContact O-OG1 3.33Å; S33-S191 PolarHBondContact OG-OG 2.93Å
34	L	89.9	Confident	88	Confident	16 Å²	16	27.1 Å²	27.1	8%	0.084	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133	-179.6	-64.2	179.6	0	0	0	111.8	G31 K36 F84 E85 T86 Y321	G31-L34 PolarHBondContact N-O 3.32Å; G31-L34 VanDerWaalsContact N-O 3.08Å; L34-K36 PolarHBondContact O-NZ 3.38Å; L34-K36 VanDerWaalsContact O-NZ 3.1Å; L34-F84 CarbonylContact C-O 3.4Å; L34-F84 WeakPolarHBondContact CA-O 3.5Å; L34-E85 HydrophobicContact CD2-CG 4.07Å; L34-T86 WeakPolarHBondContact CA-OG1 3.4Å; L34-T86 PolarHBondContact N-OG1 3.19Å; L34-T86 VanDerWaalsContact N-OG1 3.1Å; L34-Y321 HydrophobicContact CD1-CD1 3.32Å; L34-Y321 HydrophobicContact CD1-CD2 4.26Å; L34-Y321 HydrophobicContact CD1-CE1 4.06Å; L34-Y321 HydrophobicContact CD1-CG 3.52Å
35	A	93	Very high	88.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.8	160.5	0	0	0	0	0	109.3	D29 I30 K83 F84 T86 I89	D29-A35 CarbonylContact O-C 3.53Å; D29-A35 VanDerWaalsContact O-CA 3.28Å; D29-A35 WeakPolarHBondContact O-CA 3.37Å; I30-A35 HydrophobicContact CG1-CB 4.41Å; I30-A35 HydrophobicContact CG2-CB 4.26Å; A35-K83 WeakPolarHBondContact O-CA 3.35Å; A35-F84 PolarHBondContact N-O 3.46Å; A35-F84 PolarHBondContact O-N 3.27Å; A35-F84 VanDerWaalsContact O-O 3.11Å; A35-T86 PolarHBondContact N-OG1 3.48Å; A35-I89 HydrophobicContact CB-CD1 3.84Å
36	K	93.9	Very high	88.4	Confident	19 Å²	19	30.1 Å²	30.1	8%	0.083	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.2	171.4	-41.2	90	-175.8	164.1	0	109.7	L28 D29 L34 M82 Y355 A358	L28-K36 WeakPolarHBondContact CA-O 3.24Å; D29-K36 HydrophobicContact CB-CD 4.09Å; D29-K36 PolarHBondContact N-O 2.98Å; D29-K36 PolarHBondContact O-N 3.49Å; D29-K36 IonicContact OD1-NZ 2.94Å; D29-K36 WeakPolarHBondContact OD2-CD 3.2Å; D29-K36 WeakPolarHBondContact OD2-CE 3.45Å; D29-K36 IonicContact OD2-NZ 2.69Å; D29-K36 PolarHBondContact OD2-NZ 3.07Å; L34-K36 PolarHBondContact O-NZ 3.38Å; L34-K36 VanDerWaalsContact O-NZ 3.1Å; K36-M82 CarbonylContact C-O 3.49Å; K36-M82 VanDerWaalsContact CA-O 3.32Å; K36-M82 WeakPolarHBondContact CA-O 3.47Å; K36-Y355 HydrophobicContact CB-CD1 3.71Å; K36-Y355 HydrophobicContact CB-CE1 3.93Å; K36-Y355 HydrophobicContact CG-CD1 4.03Å; K36-Y355 HydrophobicContact CG-CE1 4.14Å; K36-A358 HydrophobicContact CB-CB 4.25Å
37	L	93.1	Very high	88	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.9	179.6	173.8	60.7	0	0	0	108.3	F26 L28 Y39 M82 F84 F95 I96 I100	F26-L37 HydrophobicContact CB-CD1 4.14Å; F26-L37 HydrophobicContact CD2-CD1 3.93Å; F26-L37 HydrophobicContact CG-CD1 4.47Å; L28-L37 HydrophobicContact CD2-CB 3.85Å; L28-L37 HydrophobicContact CD2-CD1 3.91Å; L28-L37 HydrophobicContact CD2-CG 4.44Å; L28-L37 HydrophobicContact CG-CD1 4.33Å; L37-Y39 HydrophobicContact CD2-CD1 4.18Å; L37-Y39 HydrophobicContact CG-CD1 4.02Å; L37-M82 HydrophobicContact CD2-CE 4.1Å; L37-M82 PolarHBondContact N-O 2.82Å; L37-M82 PolarHBondContact O-N 3.01Å; L37-F84 HydrophobicContact CD2-CE2 4.47Å; L37-F95 HydrophobicContact CD2-CD1 3.95Å; L37-F95 HydrophobicContact CD2-CE1 4.29Å; L37-I96 HydrophobicContact CD1-CD1 4Å; L37-I96 HydrophobicContact CD1-CG1 4.09Å; L37-I96 HydrophobicContact CD2-CD1 4.15Å; L37-I96 HydrophobicContact CD2-CG1 3.67Å; L37-I100 HydrophobicContact CD1-CD1 4.48Å; L37-I100 HydrophobicContact CD2-CD1 3.98Å
38	V	92.1	Very high	87.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.3	169	170.7	0	0	0	0	107.1	F26 A27 L79 C80 F81 A358 V359 F362	F26-V38 CarbonylContact C-O 3.19Å; F26-V38 WeakPolarHBondContact CA-O 3.4Å; A27-V38 PolarHBondContact N-O 3.32Å; A27-V38 PolarHBondContact O-N 3.13Å; V38-L79 HydrophobicContact CG1-CD1 3.44Å; V38-L79 VanDerWaalsContact CG1-CD1 3.44Å; V38-L79 HydrophobicContact CG1-CD2 4.24Å; V38-L79 HydrophobicContact CG1-CG 3.85Å; V38-C80 WeakPolarHBondContact CA-O 3.07Å; V38-F81 HydrophobicContact CG2-CD1 3.69Å; V38-F81 HydrophobicContact CG2-CE1 3.9Å; V38-F81 HydrophobicContact CG2-CG 4.42Å; V38-A358 HydrophobicContact CB-CB 4.08Å; V38-A358 HydrophobicContact CG2-CB 3.54Å; V38-V359 HydrophobicContact CG2-CG2 4.12Å; V38-F362 HydrophobicContact CB-CB 4.31Å; V38-F362 HydrophobicContact CG1-CB 3.79Å; V38-F362 HydrophobicContact CG1-CD1 4.36Å; V38-F362 HydrophobicContact CG1-CD2 4.01Å; V38-F362 HydrophobicContact CG1-CG 3.79Å
39	Y	88.2	Confident	87.3	Confident	16 Å²	16	33.5 Å²	33.5	6%	0.063	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.1	-176.5	70.5	-82.3	0	0	0	112.4	L37 R41 C80 M82 F95 I100	L37-Y39 HydrophobicContact CD2-CD1 4.18Å; L37-Y39 HydrophobicContact CG-CD1 4.02Å; Y39-R41 HydrophobicContact CE2-CB 4.44Å; Y39-C80 HydrophobicContact CD1-CB 3.74Å; Y39-C80 WeakPolarHBondContact CD1-O 3.49Å; Y39-C80 HydrophobicContact CD2-CB 4.12Å; Y39-C80 HydrophobicContact CE1-CB 3.34Å; Y39-C80 HydrophobicContact CE2-CB 3.74Å; Y39-C80 HydrophobicContact CG-CB 4.12Å; Y39-C80 PolarHBondContact N-O 3.06Å; Y39-C80 PolarHBondContact O-N 2.94Å; Y39-M82 HydrophobicContact CE1-CE 4.36Å; Y39-M82 HydrophobicContact CE1-CG 4.48Å; Y39-F95 HydrophobicContact CE1-CE1 4.22Å; Y39-I100 HydrophobicContact CD1-CD1 3.92Å; Y39-I100 HydrophobicContact CD2-CD1 3.72Å; Y39-I100 HydrophobicContact CD2-CG1 3.89Å; Y39-I100 HydrophobicContact CE1-CD1 4.41Å; Y39-I100 HydrophobicContact CE2-CD1 4.26Å; Y39-I100 HydrophobicContact CE2-CG1 4.2Å; Y39-I100 HydrophobicContact CG-CD1 3.52Å; Y39-I100 HydrophobicContact CG-CG1 4.23Å
40	K	84.5	Confident	87	Confident	50 Å²	50	33.3 Å²	33.3	22%	0.217	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.9	173.9	-174.3	176.8	-179.5	175.9	0	109.8	I25 Q77 K78 F362	I25-K40 HydrophobicContact CB-CB 4.48Å; I25-K40 PolarHBondContact O-N 3.17Å; K40-Q77 VanDerWaalsContact CE-OE1 3.25Å; K40-K78 WeakPolarHBondContact CA-O 3.48Å; K40-F362 HydrophobicContact CB-CE2 3.93Å; K40-F362 HydrophobicContact CB-CZ 4.02Å
41	R	82.7	Confident	86.6	Confident	91 Å²	91	38 Å²	38	34%	0.343	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.8	164.9	-179.1	166.4	65.7	-174.8	0	109.3	Y39 K78 E468	Y39-R41 HydrophobicContact CE2-CB 4.44Å; R41-K78 PolarHBondContact N-O 3.25Å; R41-K78 PolarHBondContact O-N 2.99Å; R41-E468 IonicContact CZ-OE1 3.84Å; R41-E468 IonicContact CZ-OE2 2.82Å; R41-E468 IonicContact NH2-OE1 2.98Å; R41-E468 PolarHBondContact NH2-OE1 3.07Å; R41-E468 IonicContact NH2-OE2 3.35Å; R41-E468 PolarHBondContact NH2-OE2 3.14Å
42	V	79	Confident	86.2	Confident	29 Å²	29	43.1 Å²	43.1	18%	0.176	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.2	164.8	178.9	0	0	0	0	107.8	E75 G76	V42-E75 HydrophobicContact CG1-CB 3.92Å; V42-E75 HydrophobicContact CG1-CG 3.86Å; V42-G76 WeakPolarHBondContact CA-O 3.5Å
43	F	76.7	Confident	85.8	Confident	37 Å²	37	40.6 Å²	40.6	16%	0.162	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.9	173.1	72.1	-75.6	0	0	0	109.5	Y45 E75 G76 K78	F43-Y45 HydrophobicContact CE2-CD1 4.1Å; F43-Y45 HydrophobicContact CE2-CG 4.38Å; F43-E75 CarbonylContact O-C 3.49Å; F43-E75 WeakPolarHBondContact O-CA 3.44Å; F43-G76 WeakPolarHBondContact CD1-O 3.3Å; F43-G76 VanDerWaalsContact CE1-CA 3.48Å; F43-G76 PolarHBondContact N-O 3.42Å; F43-G76 VanDerWaalsContact N-O 3.08Å; F43-G76 PolarHBondContact O-N 3.05Å; F43-K78 HydrophobicContact CD1-CD 3.97Å; F43-K78 VanDerWaalsContact CD1-CE 3.45Å; F43-K78 HydrophobicContact CD1-CG 3.44Å; F43-K78 VanDerWaalsContact CD1-CG 3.44Å; F43-K78 HydrophobicContact CE1-CD 4.06Å; F43-K78 HydrophobicContact CE1-CG 3.45Å; F43-K78 VanDerWaalsContact CE1-CG 3.45Å; F43-K78 HydrophobicContact CG-CD 4.45Å; F43-K78 HydrophobicContact CG-CG 4.35Å; F43-K78 HydrophobicContact CZ-CG 4.41Å
44	R	79.9	Confident	84.5	Confident	104 Å²	104	45 Å²	45	39%	0.392	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.2	172.7	-70.8	-176	-165	134.1	11.5	109.9	D18 E73 D74 E75	D18-R44 PolarHBondContact O-NH2 2.82Å; R44-E73 HydrophobicContact CB-CG 3.86Å; R44-E73 WeakPolarHBondContact CD-OE1 3.18Å; R44-E73 HydrophobicContact CG-CG 4.31Å; R44-D74 WeakPolarHBondContact CA-O 3.49Å; R44-E75 HydrophobicContact CG-CG 3.65Å; R44-E75 IonicContact CZ-OE1 3.9Å; R44-E75 IonicContact NE-OE1 2.63Å; R44-E75 PolarHBondContact NE-OE1 3Å; R44-E75 IonicContact NH2-OE1 2.68Å; R44-E75 PolarHBondContact NH2-OE1 3.29Å
45	Y	80.5	Confident	82.9	Confident	68 Å²	68	51.4 Å²	51.4	27%	0.267	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.5	175.6	69.7	-80.2	0	0	0	109.4	F43 R47 E73 D74	F43-Y45 HydrophobicContact CE2-CD1 4.1Å; F43-Y45 HydrophobicContact CE2-CG 4.38Å; Y45-R47 HydrophobicContact CE2-CB 4.44Å; Y45-E73 WeakPolarHBondContact O-CA 3.41Å; Y45-D74 HydrophobicContact CD1-CB 4.2Å; Y45-D74 VanDerWaalsContact CD1-O 3.28Å; Y45-D74 WeakPolarHBondContact CD1-O 3.39Å; Y45-D74 HydrophobicContact CE1-CB 3.56Å; Y45-D74 HydrophobicContact CE2-CB 4.03Å; Y45-D74 VanDerWaalsContact CZ-CB 3.46Å; Y45-D74 PolarHBondContact N-O 3.29Å; Y45-D74 PolarHBondContact O-N 3.05Å
46	R	82.7	Confident	80.8	Confident	67 Å²	67	57.4 Å²	57.4	25%	0.253	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.5	178	-64.7	-171.5	-174.2	116.7	5.4	111.2	H72 G579	R46-H72 CarbonylContact C-O 2.96Å; R46-H72 WeakPolarHBondContact CA-O 3.41Å; R46-G579 VanDerWaalsContact O-CA 3.31Å; R46-G579 WeakPolarHBondContact O-CA 3.23Å
47	R	83.6	Confident	78.5	Confident	50 Å²	50	60.1 Å²	60.1	19%	0.189	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.6	175.5	178.8	-174.8	178.8	136.4	4.4	108.7	Y45 V49 H72 D74	Y45-R47 HydrophobicContact CE2-CB 4.44Å; R47-V49 HydrophobicContact CG-CG2 3.87Å; R47-V49 PolarHBondContact O-N 3.12Å; R47-H72 PolarHBondContact N-O 3.14Å; R47-H72 PolarHBondContact O-N 3Å; R47-D74 VanDerWaalsContact CD-OD2 3.24Å; R47-D74 WeakPolarHBondContact CD-OD2 3.41Å
48	S	87	Confident	76.4	Confident	3 Å²	3	63 Å²	63	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.3	165.1	-42.2	0	0	0	0	108.4	E71 D580	S48-E71 WeakPolarHBondContact CA-OE1 3.49Å; S48-E71 WeakPolarHBondContact CB-OE1 3.26Å; S48-E71 PolarHBondContact N-OE1 3.11Å; S48-E71 PolarHBondContact OG-OE1 2.95Å; S48-D580 WeakPolarHBondContact OG-CB 3.49Å; S48-D580 PolarHBondContact OG-N 3.06Å; S48-D580 VanDerWaalsContact OG-N 3.13Å
49	V	88.2	Confident	74	Confident	25 Å²	25	71.5 Å²	71.5	15%	0.152	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.7	-179.7	-176.9	0	0	0	0	108.8	R47 Y69 T70 H72	R47-V49 HydrophobicContact CG-CG2 3.87Å; R47-V49 PolarHBondContact O-N 3.12Å; V49-Y69 WeakPolarHBondContact O-CA 3.41Å; V49-T70 PolarHBondContact N-O 3.09Å; V49-T70 PolarHBondContact O-N 3.35Å; V49-T70 PolarHBondContact O-OG1 2.84Å; V49-H72 HydrophobicContact CG2-CB 4.14Å
50	P	90.8	Very high	72.1	Confident	11 Å²	11	78.1 Å²	78.1	7%	0.071	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131	174.2	34.6	-37.6	0	0	0	109.7	Y67 E68 Y69 Q729 E730 L733	P50-Y67 HydrophobicContact CB-CD2 3.72Å; P50-Y67 HydrophobicContact CB-CE2 3.89Å; P50-E68 CarbonylContact C-O 3.52Å; P50-E68 WeakPolarHBondContact CA-O 3.49Å; P50-Y69 HydrophobicContact CB-CD1 4.24Å; P50-Y69 HydrophobicContact CB-CE1 3.98Å; P50-Q729 HydrophobicContact CG-CB 3.59Å; P50-E730 HydrophobicContact CB-CG 4.12Å; P50-E730 HydrophobicContact CG-CG 4.06Å; P50-L733 HydrophobicContact CB-CD1 3.74Å; P50-L733 HydrophobicContact CG-CD1 4.07Å
51	Q	87.5	Confident	70.4	Confident	99 Å²	99	82.1 Å²	82.1	46%	0.463	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.8	179.2	-171	171.5	20.9	0	0	111.1	C53 Y67 E68	Q51-C53 PolarHBondContact O-N 3.4Å; Q51-Y67 CarbonylContact O-C 3.06Å; Q51-Y67 VanDerWaalsContact O-CA 3.23Å; Q51-Y67 WeakPolarHBondContact O-CA 3.41Å; Q51-Y67 WeakPolarHBondContact O-CB 3.44Å; Q51-E68 PolarHBondContact N-O 2.73Å; Q51-E68 PolarHBondContact O-N 3.05Å
52	Q	84.3	Confident	69	Low	119 Å²	119	82.6 Å²	82.6	56%	0.556	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	131.3	175.3	-171.3	178.8	11.5	0	0	110.7	C54 F66 L733	Q52-C54 PolarHBondContact O-N 3.46Å; Q52-F66 WeakPolarHBondContact CA-O 3.22Å; Q52-F66 HydrophobicContact CG-CD2 4.33Å; Q52-F66 HydrophobicContact CG-CE2 3.84Å; Q52-L733 HydrophobicContact CB-CD2 3.92Å
53	C	77.5	Confident	67.8	Low	14 Å²	14	81.6 Å²	81.6	10%	0.095	42%	0.417	C	S	.	.			trans	-73.1	126	-177.6	-69.7	0	0	0	0	111.7	Q51 K55 D65 F66 Y67	Q51-C53 PolarHBondContact O-N 3.4Å; C53-K55 PolarHBondContact O-N 3.23Å; C53-D65 WeakPolarHBondContact CB-O 3.36Å; C53-D65 PolarHBondContact SG-O 2.75Å; C53-F66 PolarHBondContact N-O 3.23Å; C53-Y67 VanDerWaalsContact SG-C 3.55Å
54	C	59.3	Low	66.9	Low	128 Å²	128	83.8 Å²	83.8	87%	0.865	43%	0.427	S	S	*	.			trans	-71.5	13	-178.4	-59.8	0	0	0	0	115.4	Q52	Q52-C54 PolarHBondContact O-N 3.46Å
55	K	57.6	Low	66.1	Low	150 Å²	150	82 Å²	82	65%	0.652	43%	0.425	S	S	*	.	S	Bend	trans	-94.1	129.8	-177.4	-66.8	170.7	-172.8	156.3	0	109.5	C53 V57	C53-K55 PolarHBondContact O-N 3.23Å; K55-V57 PolarHBondContact O-N 3.04Å
56	S	47.2	Very low	65.9	Low	125 Å²	125	80 Å²	80	87%	0.874	42%	0.417	S	S	*	.			trans	-69.4	93.5	172.8	55.6	0	0	0	0	110.3
57	V	47	Very low	66	Low	77 Å²	77	77.2 Å²	77.2	47%	0.467	41%	0.407	S	S	.	.			trans	-61.7	140.6	171.2	-173.3	0	0	0	0	108.8	K55 E61	K55-V57 PolarHBondContact O-N 3.04Å; V57-E61 HydrophobicContact CG1-CB 4.37Å
58	S	47.5	Very low	66.2	Low	59 Å²	59	78.3 Å²	78.3	41%	0.413	41%	0.414	S	S	.	.			trans	-72.7	142.9	175.8	80.8	0	0	0	0	110.4	N60 E61	S58-N60 PolarHBondContact O-N 2.96Å; S58-E61 PolarHBondContact O-N 2.88Å; S58-E61 PolarHBondContact OG-OE2 3.49Å
59	E	43.3	Very low	66.3	Low	180 Å²	180	79.9 Å²	79.9	84%	0.841	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.9	-174.4	-62.7	177.5	144.2	0	0	114.1
60	N	48.6	Very low	66.2	Low	155 Å²	155	80.6 Å²	80.6	83%	0.829	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.5	-179.6	-62.9	-55.7	0	0	0	114.3	S58	S58-N60 PolarHBondContact O-N 2.96Å
61	E	48.3	Very low	65.9	Low	133 Å²	133	83.3 Å²	83.3	62%	0.621	44%	0.436	S	S	*	.	S	Bend	trans	-116	47	-176.6	-69.8	-174	134.6	0	0	113	V57 S58 P63	V57-E61 HydrophobicContact CG1-CB 4.37Å; S58-E61 PolarHBondContact O-N 2.88Å; S58-E61 PolarHBondContact OG-OE2 3.49Å; E61-P63 WeakPolarHBondContact O-CA 3.46Å
62	I	53.7	Low	65.8	Low	101 Å²	101	82.8 Å²	82.8	52%	0.518	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	122.7	173.3	-57.3	175.2	0	0	0	110.1	M737	I62-M737 HydrophobicContact CG2-CE 4.42Å
63	P	51.9	Low	65.8	Low	9 Å²	9	82.5 Å²	82.5	6%	0.058	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	cis	-128.6	137.5	-22	36.4	-20.7	0	0	0	112.8	E61 R591 L594 M737	E61-P63 WeakPolarHBondContact O-CA 3.46Å; P63-R591 WeakPolarHBondContact O-CG 3.3Å; P63-R591 PolarHBondContact O-NE 3.24Å; P63-L594 HydrophobicContact CG-CB 4.18Å; P63-L594 HydrophobicContact CG-CD1 4.44Å; P63-M737 HydrophobicContact CB-CE 3.59Å
64	F	57.9	Low	66	Low	83 Å²	83	84.6 Å²	84.6	36%	0.364	44%	0.443	S	S	.	.	S	Bend	trans	-127.9	148.9	157.2	-98.2	-92.5	0	0	0	112.1	F66 R591 F645	F64-F66 VanDerWaalsContact C-N 3.26Å; F64-F66 PolarHBondContact O-N 3.4Å; F64-R591 HydrophobicContact CD1-CG 4.26Å; F64-R591 HydrophobicContact CD2-CG 4.25Å; F64-R591 HydrophobicContact CE1-CG 3.94Å; F64-R591 HydrophobicContact CE2-CG 3.93Å; F64-R591 HydrophobicContact CG-CG 4.42Å; F64-R591 HydrophobicContact CZ-CG 3.78Å; F64-F645 AromaticContact CE2-CD1 3.76Å; F64-F645 HydrophobicContact CE2-CD1 3.76Å; F64-F645 AromaticContact CE2-CE1 3.5Å; F64-F645 HydrophobicContact CE2-CE1 3.5Å; F64-F645 VanDerWaalsContact CE2-CE1 3.5Å; F64-F645 HydrophobicContact CE2-CZ 4.23Å; F64-F645 AromaticContact CZ-CD1 3.74Å; F64-F645 HydrophobicContact CZ-CD1 3.74Å; F64-F645 HydrophobicContact CZ-CE1 4.17Å; F64-F645 HydrophobicContact CZ-CG 4.38Å
65	D	63.5	Low	67	Low	65 Å²	65	82.2 Å²	82.2	35%	0.348	42%	0.419	S	S	.	.			trans	45	51.3	175.7	-62.2	-6.1	0	0	0	112.9	C53 Y67 R587	C53-D65 WeakPolarHBondContact CB-O 3.36Å; C53-D65 PolarHBondContact SG-O 2.75Å; D65-Y67 VanDerWaalsContact C-N 3.31Å; D65-R587 IonicContact OD1-CZ 3.53Å; D65-R587 IonicContact OD1-NE 3.57Å; D65-R587 IonicContact OD1-NH2 2.74Å; D65-R587 PolarHBondContact OD1-NH2 3Å; D65-R587 IonicContact OD2-NH2 3.06Å; D65-R587 PolarHBondContact OD2-NH2 3.34Å
66	F	76	Confident	67.9	Low	26 Å²	26	75.5 Å²	75.5	11%	0.114	39%	0.392	C	S	.	.	S	Bend	trans	-65.7	-36.8	167.8	159.3	-113.3	0	0	0	111	Q52 C53 F64 L733 M737	Q52-F66 WeakPolarHBondContact CA-O 3.22Å; Q52-F66 HydrophobicContact CG-CD2 4.33Å; Q52-F66 HydrophobicContact CG-CE2 3.84Å; C53-F66 PolarHBondContact N-O 3.23Å; F64-F66 VanDerWaalsContact C-N 3.26Å; F64-F66 PolarHBondContact O-N 3.4Å; F66-L733 HydrophobicContact CE1-CB 3.83Å; F66-L733 WeakPolarHBondContact CE1-O 2.99Å; F66-L733 HydrophobicContact CZ-CB 3.95Å; F66-L733 HydrophobicContact CZ-CD2 4.12Å; F66-L733 WeakPolarHBondContact CZ-O 3.38Å; F66-M737 HydrophobicContact CB-CE 4.45Å; F66-M737 HydrophobicContact CB-CG 4.43Å; F66-M737 HydrophobicContact CB-SD 4.22Å; F66-M737 HydrophobicContact CD1-CB 3.75Å; F66-M737 HydrophobicContact CD1-CG 3.89Å; F66-M737 HydrophobicContact CD1-SD 4.45Å; F66-M737 HydrophobicContact CD2-CB 4.06Å; F66-M737 HydrophobicContact CD2-CG 4.02Å; F66-M737 HydrophobicContact CD2-SD 3.52Å; F66-M737 VanDerWaalsContact CD2-SD 3.52Å; F66-M737 HydrophobicContact CE1-CB 3.59Å; F66-M737 HydrophobicContact CE1-CG 4.27Å; F66-M737 HydrophobicContact CE2-CB 3.89Å; F66-M737 HydrophobicContact CE2-CG 4.35Å; F66-M737 HydrophobicContact CE2-SD 4.06Å; F66-M737 HydrophobicContact CG-CB 4.02Å; F66-M737 HydrophobicContact CG-CG 3.81Å; F66-M737 HydrophobicContact CG-SD 3.78Å; F66-M737 HydrophobicContact CZ-CB 3.69Å
67	Y	86.4	Confident	69.6	Low	9 Å²	9	71.8 Å²	71.8	4%	0.035	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.1	172.1	79.3	-79.5	0	0	0	111.7	P50 Q51 C53 D65 Y69 N590 E730 L734	P50-Y67 HydrophobicContact CB-CD2 3.72Å; P50-Y67 HydrophobicContact CB-CE2 3.89Å; Q51-Y67 CarbonylContact O-C 3.06Å; Q51-Y67 VanDerWaalsContact O-CA 3.23Å; Q51-Y67 WeakPolarHBondContact O-CA 3.41Å; Q51-Y67 WeakPolarHBondContact O-CB 3.44Å; C53-Y67 VanDerWaalsContact SG-C 3.55Å; D65-Y67 VanDerWaalsContact C-N 3.31Å; Y67-Y69 HydrophobicContact CD2-CE2 4.47Å; Y67-Y69 HydrophobicContact CE2-CD2 4.26Å; Y67-Y69 AromaticContact CE2-CE2 3.61Å; Y67-Y69 HydrophobicContact CE2-CE2 3.61Å; Y67-Y69 AromaticContact CE2-CZ 3.78Å; Y67-N590 PolarHBondContact OH-ND2 2.94Å; Y67-E730 HydrophobicContact CE2-CG 4.45Å; Y67-L734 HydrophobicContact CE1-CD2 4.26Å
68	E	87.5	Confident	71.3	Confident	74 Å²	74	68.5 Å²	68.5	35%	0.346	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	173.6	171	63.2	-160.7	149	0	0	110.2	P50 Q51	P50-E68 CarbonylContact C-O 3.52Å; P50-E68 WeakPolarHBondContact CA-O 3.49Å; Q51-E68 PolarHBondContact N-O 2.73Å; Q51-E68 PolarHBondContact O-N 3.05Å
69	Y	88.4	Confident	73.1	Confident	36 Å²	36	65.7 Å²	65.7	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.8	175.3	-73.8	-90.7	0	0	0	109.6	V49 P50 Y67 C583 R587 E730	V49-Y69 WeakPolarHBondContact O-CA 3.41Å; P50-Y69 HydrophobicContact CB-CD1 4.24Å; P50-Y69 HydrophobicContact CB-CE1 3.98Å; Y67-Y69 HydrophobicContact CD2-CE2 4.47Å; Y67-Y69 HydrophobicContact CE2-CD2 4.26Å; Y67-Y69 AromaticContact CE2-CE2 3.61Å; Y67-Y69 HydrophobicContact CE2-CE2 3.61Å; Y67-Y69 AromaticContact CE2-CZ 3.78Å; Y69-C583 HydrophobicContact CD1-CB 3.91Å; Y69-C583 HydrophobicContact CD2-CB 3.65Å; Y69-C583 HydrophobicContact CE1-CB 3.94Å; Y69-C583 HydrophobicContact CE2-CB 3.68Å; Y69-C583 WeakPolarHBondContact CE2-O 3.33Å; Y69-C583 HydrophobicContact CG-CB 3.75Å; Y69-R587 HydrophobicContact CE2-CB 4.16Å; Y69-E730 VanDerWaalsContact OH-CD 3.27Å; Y69-E730 WeakPolarHBondContact OH-CG 3.32Å; Y69-E730 PolarHBondContact OH-OE1 3.08Å
70	T	85.5	Confident	75.2	Confident	40 Å²	40	57.2 Å²	57.2	25%	0.245	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.1	172.4	48	0	0	0	0	109.6	V49 H72	V49-T70 PolarHBondContact N-O 3.09Å; V49-T70 PolarHBondContact O-N 3.35Å; V49-T70 PolarHBondContact O-OG1 2.84Å; T70-H72 PolarHBondContact O-CD2 2.92Å; T70-H72 PolarHBondContact OG1-CD2 2.99Å; T70-H72 VanDerWaalsContact OG1-CD2 3.29Å; T70-H72 PolarHBondContact OG1-NE2 3.26Å
71	E	85	Confident	77.2	Confident	68 Å²	68	49.9 Å²	49.9	32%	0.318	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.1	171.5	-69.6	-67.2	99.9	0	0	109.4	S48 Q525	S48-E71 WeakPolarHBondContact CA-OE1 3.49Å; S48-E71 WeakPolarHBondContact CB-OE1 3.26Å; S48-E71 PolarHBondContact N-OE1 3.11Å; S48-E71 PolarHBondContact OG-OE1 2.95Å; E71-Q525 PolarHBondContact OE2-NE2 2.92Å
72	H	84.8	Confident	79.1	Confident	87 Å²	87	44.5 Å²	44.5	40%	0.403	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	147.7	172.8	-70.7	-99.3	0	0	0	110.3	R46 R47 V49 T70	R46-H72 CarbonylContact C-O 2.96Å; R46-H72 WeakPolarHBondContact CA-O 3.41Å; R47-H72 PolarHBondContact N-O 3.14Å; R47-H72 PolarHBondContact O-N 3Å; V49-H72 HydrophobicContact CG2-CB 4.14Å; T70-H72 PolarHBondContact O-CD2 2.92Å; T70-H72 PolarHBondContact OG1-CD2 2.99Å; T70-H72 VanDerWaalsContact OG1-CD2 3.29Å; T70-H72 PolarHBondContact OG1-NE2 3.26Å
73	E	84.1	Confident	80.7	Confident	114 Å²	114	40.3 Å²	40.3	53%	0.533	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.8	174.2	-166.7	165	116.7	0	0	109	R44 Y45	R44-E73 HydrophobicContact CB-CG 3.86Å; R44-E73 WeakPolarHBondContact CD-OE1 3.18Å; R44-E73 HydrophobicContact CG-CG 4.31Å; Y45-E73 WeakPolarHBondContact O-CA 3.41Å
74	D	81.9	Confident	82.5	Confident	58 Å²	58	41.3 Å²	41.3	31%	0.31	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	153.2	-178.3	-91	-36	0	0	0	110.7	R44 Y45 R47	R44-D74 WeakPolarHBondContact CA-O 3.49Å; Y45-D74 HydrophobicContact CD1-CB 4.2Å; Y45-D74 VanDerWaalsContact CD1-O 3.28Å; Y45-D74 WeakPolarHBondContact CD1-O 3.39Å; Y45-D74 HydrophobicContact CE1-CB 3.56Å; Y45-D74 HydrophobicContact CE2-CB 4.03Å; Y45-D74 VanDerWaalsContact CZ-CB 3.46Å; Y45-D74 PolarHBondContact N-O 3.29Å; Y45-D74 PolarHBondContact O-N 3.05Å; R47-D74 VanDerWaalsContact CD-OD2 3.24Å; R47-D74 WeakPolarHBondContact CD-OD2 3.41Å
75	E	80.4	Confident	83.9	Confident	77 Å²	77	40 Å²	40	36%	0.36	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.5	176.7	-82.2	-173.1	173.1	0	0	112.7	H22 V42 F43 R44	H22-E75 IonicContact CE1-OE2 2.85Å; H22-E75 IonicContact NE2-OE2 2.68Å; V42-E75 HydrophobicContact CG1-CB 3.92Å; V42-E75 HydrophobicContact CG1-CG 3.86Å; F43-E75 CarbonylContact O-C 3.49Å; F43-E75 WeakPolarHBondContact O-CA 3.44Å; R44-E75 HydrophobicContact CG-CG 3.65Å; R44-E75 IonicContact CZ-OE1 3.9Å; R44-E75 IonicContact NE-OE1 2.63Å; R44-E75 PolarHBondContact NE-OE1 3Å; R44-E75 IonicContact NH2-OE1 2.68Å; R44-E75 PolarHBondContact NH2-OE1 3.29Å
76	G	77.9	Confident	85.2	Confident	9 Å²	9	37.1 Å²	37.1	9%	0.093	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	166.6	173	0	0	0	0	0	112.6	V42 F43	V42-G76 WeakPolarHBondContact CA-O 3.5Å; F43-G76 WeakPolarHBondContact CD1-O 3.3Å; F43-G76 VanDerWaalsContact CE1-CA 3.48Å; F43-G76 PolarHBondContact N-O 3.42Å; F43-G76 VanDerWaalsContact N-O 3.08Å; F43-G76 PolarHBondContact O-N 3.05Å
77	Q	81.3	Confident	85.8	Confident	48 Å²	48	43.5 Å²	43.5	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.5	-178	-59.1	179.8	4.8	0	0	110.3	K40 R471	K40-Q77 VanDerWaalsContact CE-OE1 3.25Å; Q77-R471 HydrophobicContact CB-CB 4.11Å; Q77-R471 WeakPolarHBondContact O-CB 3.5Å; Q77-R471 PolarHBondContact O-N 3.28Å
78	K	83.8	Confident	86.1	Confident	7 Å²	7	45.4 Å²	45.4	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.5	173.5	-47.9	-163.6	174.5	-175.5	0	110.6	K40 R41 F43 N381 E468 L469 D470 E575	K40-K78 WeakPolarHBondContact CA-O 3.48Å; R41-K78 PolarHBondContact N-O 3.25Å; R41-K78 PolarHBondContact O-N 2.99Å; F43-K78 HydrophobicContact CD1-CD 3.97Å; F43-K78 VanDerWaalsContact CD1-CE 3.45Å; F43-K78 HydrophobicContact CD1-CG 3.44Å; F43-K78 VanDerWaalsContact CD1-CG 3.44Å; F43-K78 HydrophobicContact CE1-CD 4.06Å; F43-K78 HydrophobicContact CE1-CG 3.45Å; F43-K78 VanDerWaalsContact CE1-CG 3.45Å; F43-K78 HydrophobicContact CG-CD 4.45Å; F43-K78 HydrophobicContact CG-CG 4.35Å; F43-K78 HydrophobicContact CZ-CG 4.41Å; K78-N381 WeakPolarHBondContact CE-ND2 3.31Å; K78-N381 PolarHBondContact NZ-ND2 3.32Å; K78-E468 WeakPolarHBondContact CD-OE2 3.46Å; K78-L469 CarbonylContact C-O 3.55Å; K78-L469 VanDerWaalsContact CA-O 3.26Å; K78-L469 WeakPolarHBondContact CA-O 3.36Å; K78-D470 WeakPolarHBondContact CD-OD1 3.5Å; K78-D470 WeakPolarHBondContact CE-OD1 3.49Å; K78-D470 VanDerWaalsContact CG-OD1 3.27Å; K78-D470 WeakPolarHBondContact CG-OD1 3.49Å; K78-D470 IonicContact NZ-OD1 3.35Å; K78-E575 WeakPolarHBondContact CE-OE1 3.28Å; K78-E575 IonicContact NZ-OE1 3.54Å; K78-E575 PolarHBondContact NZ-OE1 3.04Å; K78-E575 IonicContact NZ-OE2 3.98Å; K78-E575 PolarHBondContact NZ-OE2 3.21Å
79	L	84.9	Confident	86.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.3	168.8	-169.7	63.2	0	0	0	107.4	V38 F81 F362 W378 E468 L469	V38-L79 HydrophobicContact CG1-CD1 3.44Å; V38-L79 VanDerWaalsContact CG1-CD1 3.44Å; V38-L79 HydrophobicContact CG1-CD2 4.24Å; V38-L79 HydrophobicContact CG1-CG 3.85Å; L79-F81 HydrophobicContact CB-CE2 4.08Å; L79-F81 HydrophobicContact CD2-CE2 3.98Å; L79-F81 HydrophobicContact CD2-CZ 3.71Å; L79-F81 HydrophobicContact CG-CE2 3.74Å; L79-F81 HydrophobicContact CG-CZ 3.93Å; L79-F81 VanDerWaalsContact O-CD2 3.28Å; L79-F81 WeakPolarHBondContact O-CD2 3.42Å; L79-F81 VanDerWaalsContact O-CE2 3.25Å; L79-F81 WeakPolarHBondContact O-CE2 3.4Å; L79-F362 HydrophobicContact CD1-CD1 3.78Å; L79-F362 HydrophobicContact CD1-CD2 4.04Å; L79-F362 HydrophobicContact CD1-CE1 3.43Å; L79-F362 VanDerWaalsContact CD1-CE1 3.43Å; L79-F362 HydrophobicContact CD1-CE2 3.7Å; L79-F362 HydrophobicContact CD1-CG 4.08Å; L79-F362 HydrophobicContact CD1-CZ 3.4Å; L79-F362 HydrophobicContact CD2-CE1 4.5Å; L79-W378 HydrophobicContact CB-CE3 3.95Å; L79-W378 HydrophobicContact CB-CH2 4.09Å; L79-W378 HydrophobicContact CB-CZ3 3.59Å; L79-E468 WeakPolarHBondContact O-CA 3.46Å; L79-L469 HydrophobicContact CB-CB 4.33Å; L79-L469 PolarHBondContact N-O 3.07Å; L79-L469 PolarHBondContact O-N 3.46Å
80	C	88.2	Confident	86.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.5	-171.8	-57.5	0	0	0	0	110.4	V38 Y39 E468	V38-C80 WeakPolarHBondContact CA-O 3.07Å; Y39-C80 HydrophobicContact CD1-CB 3.74Å; Y39-C80 WeakPolarHBondContact CD1-O 3.49Å; Y39-C80 HydrophobicContact CD2-CB 4.12Å; Y39-C80 HydrophobicContact CE1-CB 3.34Å; Y39-C80 HydrophobicContact CE2-CB 3.74Å; Y39-C80 HydrophobicContact CG-CB 4.12Å; Y39-C80 PolarHBondContact N-O 3.06Å; Y39-C80 PolarHBondContact O-N 2.94Å; C80-E468 HydrophobicContact CB-CG 4.34Å
81	F	89.1	Confident	87.2	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.5	-171.5	-64.7	-106.2	0	0	0	111.1	V38 L79 M152 Y355 V359 F467 L469	V38-F81 HydrophobicContact CG2-CD1 3.69Å; V38-F81 HydrophobicContact CG2-CE1 3.9Å; V38-F81 HydrophobicContact CG2-CG 4.42Å; L79-F81 HydrophobicContact CB-CE2 4.08Å; L79-F81 HydrophobicContact CD2-CE2 3.98Å; L79-F81 HydrophobicContact CD2-CZ 3.71Å; L79-F81 HydrophobicContact CG-CE2 3.74Å; L79-F81 HydrophobicContact CG-CZ 3.93Å; L79-F81 VanDerWaalsContact O-CD2 3.28Å; L79-F81 WeakPolarHBondContact O-CD2 3.42Å; L79-F81 VanDerWaalsContact O-CE2 3.25Å; L79-F81 WeakPolarHBondContact O-CE2 3.4Å; F81-M152 HydrophobicContact CE1-CE 3.48Å; F81-M152 VanDerWaalsContact CE1-CE 3.48Å; F81-M152 HydrophobicContact CZ-CE 3.44Å; F81-M152 VanDerWaalsContact CZ-CE 3.44Å; F81-Y355 HydrophobicContact CB-CD1 4.25Å; F81-Y355 HydrophobicContact CB-CD2 4.44Å; F81-Y355 HydrophobicContact CB-CE1 4.11Å; F81-Y355 HydrophobicContact CB-CE2 4.26Å; F81-Y355 HydrophobicContact CB-CG 4.44Å; F81-Y355 AromaticContact CD1-CD1 3.94Å; F81-Y355 HydrophobicContact CD1-CD1 3.94Å; F81-Y355 AromaticContact CD1-CD2 3.94Å; F81-Y355 HydrophobicContact CD1-CD2 3.94Å; F81-Y355 AromaticContact CD1-CG 3.58Å; F81-Y355 HydrophobicContact CD1-CG 3.58Å; F81-Y355 HydrophobicContact CE1-CG 4.35Å; F81-Y355 HydrophobicContact CG-CG 4.48Å; F81-V359 HydrophobicContact CE1-CG2 3.54Å; F81-V359 HydrophobicContact CZ-CG2 4.18Å; F81-F467 HydrophobicContact CB-CB 3.98Å; F81-F467 HydrophobicContact CD2-CB 4.1Å; F81-F467 WeakPolarHBondContact CD2-O 3.38Å; F81-F467 HydrophobicContact CG-CB 4.18Å; F81-F467 PolarHBondContact N-O 2.88Å; F81-L469 HydrophobicContact CE2-CB 4.37Å; F81-L469 HydrophobicContact CE2-CD1 3.55Å; F81-L469 HydrophobicContact CE2-CG 3.7Å; F81-L469 HydrophobicContact CZ-CD1 3.63Å; F81-L469 HydrophobicContact CZ-CG 4.28Å
82	M	88.6	Confident	87.5	Confident	19 Å²	19	44.3 Å²	44.3	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.1	177	-64.1	-158.3	-49.1	0	0	113	K36 L37 Y39 F84 F95	K36-M82 CarbonylContact C-O 3.49Å; K36-M82 VanDerWaalsContact CA-O 3.32Å; K36-M82 WeakPolarHBondContact CA-O 3.47Å; L37-M82 HydrophobicContact CD2-CE 4.1Å; L37-M82 PolarHBondContact N-O 2.82Å; L37-M82 PolarHBondContact O-N 3.01Å; Y39-M82 HydrophobicContact CE1-CE 4.36Å; Y39-M82 HydrophobicContact CE1-CG 4.48Å; M82-F84 HydrophobicContact CB-CE2 4.2Å; M82-F84 HydrophobicContact CE-CE2 3.93Å; M82-F84 HydrophobicContact CE-CZ 3.74Å; M82-F95 HydrophobicContact CE-CD1 3.34Å; M82-F95 HydrophobicContact CE-CD2 3.76Å; M82-F95 HydrophobicContact CE-CE1 3.19Å; M82-F95 HydrophobicContact CE-CE2 3.61Å; M82-F95 HydrophobicContact CE-CG 3.65Å; M82-F95 HydrophobicContact CE-CZ 3.33Å; M82-F95 HydrophobicContact SD-CE1 4.46Å; M82-F95 HydrophobicContact SD-CE2 4.24Å; M82-F95 HydrophobicContact SD-CZ 4.09Å
83	K	87.6	Confident	88	Confident	13 Å²	13	40.2 Å²	40.2	6%	0.057	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.5	-179.9	73.4	-166	-176.8	-173.2	0	111.3	A35 Y321 Y355 L464	A35-K83 WeakPolarHBondContact O-CA 3.35Å; K83-Y321 HydrophobicContact CD-CE1 3.75Å; K83-Y321 HydrophobicContact CD-CE2 4Å; K83-Y321 WeakPolarHBondContact CD-OH 3.43Å; K83-Y321 PolarHBondContact NZ-OH 2.88Å; K83-Y355 HydrophobicContact CB-CE1 4.45Å; K83-L464 HydrophobicContact CD-CD2 4.37Å; K83-L464 HydrophobicContact CG-CD2 4.18Å
84	F	90.5	Very high	88.3	Confident	31 Å²	31	37.3 Å²	37.3	14%	0.136	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.7	174.7	-59.7	-98.2	0	0	0	108.7	L34 A35 L37 M82 E91 C92 F95	L34-F84 CarbonylContact C-O 3.4Å; L34-F84 WeakPolarHBondContact CA-O 3.5Å; A35-F84 PolarHBondContact N-O 3.46Å; A35-F84 PolarHBondContact O-N 3.27Å; A35-F84 VanDerWaalsContact O-O 3.11Å; L37-F84 HydrophobicContact CD2-CE2 4.47Å; M82-F84 HydrophobicContact CB-CE2 4.2Å; M82-F84 HydrophobicContact CE-CE2 3.93Å; M82-F84 HydrophobicContact CE-CZ 3.74Å; F84-E91 HydrophobicContact CD1-CB 4.35Å; F84-C92 HydrophobicContact CB-CB 4.04Å; F84-C92 HydrophobicContact CD1-CB 3.96Å; F84-C92 HydrophobicContact CD2-CB 3.54Å; F84-C92 WeakPolarHBondContact CD2-SG 3.34Å; F84-C92 HydrophobicContact CE1-CB 4.28Å; F84-C92 HydrophobicContact CE2-CB 3.9Å; F84-C92 VanDerWaalsContact CE2-SG 3.53Å; F84-C92 HydrophobicContact CG-CB 3.58Å; F84-C92 HydrophobicContact CZ-CB 4.26Å; F84-F95 HydrophobicContact CE1-CB 4.41Å; F84-F95 HydrophobicContact CZ-CB 3.92Å; F84-F95 HydrophobicContact CZ-CG 4.18Å
85	E	87.2	Confident	88.7	Confident	54 Å²	54	35.7 Å²	35.7	25%	0.252	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.9	169.4	-66	-162.3	159.1	0	0	110.3	L34 K87 N88 I89	L34-E85 HydrophobicContact CD2-CG 4.07Å; E85-K87 HydrophobicContact CB-CG 4.3Å; E85-K87 PolarHBondContact O-N 3.47Å; E85-K87 VanDerWaalsContact O-N 3.09Å; E85-K87 VanDerWaalsContact OE2-CD 3.27Å; E85-K87 WeakPolarHBondContact OE2-CD 3.49Å; E85-K87 WeakPolarHBondContact OE2-CE 3.46Å; E85-K87 IonicContact OE2-NZ 3.59Å; E85-K87 PolarHBondContact OE2-NZ 3.16Å; E85-N88 CarbonylContact O-C 3.48Å; E85-N88 WeakPolarHBondContact O-CA 3.48Å; E85-N88 PolarHBondContact O-N 2.96Å; E85-I89 PolarHBondContact O-N 3.07Å
86	T	90.3	Very high	89.1	Confident	5 Å²	5	32 Å²	32	3%	0.031	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62.4	-22.6	-177.8	-59.1	0	0	0	0	112.5	I30 G31 S33 L34 A35 N88 I89 Y124	I30-T86 HydrophobicContact CG2-CG2 3.91Å; G31-T86 WeakPolarHBondContact O-CG2 3.45Å; G31-T86 PolarHBondContact O-OG1 2.86Å; S33-T86 PolarHBondContact O-N 3.03Å; S33-T86 PolarHBondContact O-OG1 3.33Å; L34-T86 WeakPolarHBondContact CA-OG1 3.4Å; L34-T86 PolarHBondContact N-OG1 3.19Å; L34-T86 VanDerWaalsContact N-OG1 3.1Å; A35-T86 PolarHBondContact N-OG1 3.48Å; T86-N88 PolarHBondContact O-N 2.85Å; T86-I89 PolarHBondContact O-N 2.73Å; T86-Y124 HydrophobicContact CG2-CE2 3.6Å; T86-Y124 PolarHBondContact O-OH 2.78Å
87	K	88.9	Confident	89.6	Confident	161 Å²	161	32.9 Å²	32.9	70%	0.7	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-66.8	-27.5	172.2	91.3	-166.7	-171	-152.1	0	112.3	E85	E85-K87 HydrophobicContact CB-CG 4.3Å; E85-K87 PolarHBondContact O-N 3.47Å; E85-K87 VanDerWaalsContact O-N 3.09Å; E85-K87 VanDerWaalsContact OE2-CD 3.27Å; E85-K87 WeakPolarHBondContact OE2-CD 3.49Å; E85-K87 WeakPolarHBondContact OE2-CE 3.46Å; E85-K87 IonicContact OE2-NZ 3.59Å; E85-K87 PolarHBondContact OE2-NZ 3.16Å
88	N	92.3	Very high	89.7	Confident	49 Å²	49	37.1 Å²	37.1	26%	0.262	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-103.3	26.4	179.5	-74	29	0	0	0	111.7	E85 T86 E90 E91	E85-N88 CarbonylContact O-C 3.48Å; E85-N88 WeakPolarHBondContact O-CA 3.48Å; E85-N88 PolarHBondContact O-N 2.96Å; T86-N88 PolarHBondContact O-N 2.85Å; N88-E90 PolarHBondContact O-N 3.43Å; N88-E91 HydrophobicContact CB-CG 4.29Å; N88-E91 WeakPolarHBondContact CB-OE2 3.34Å; N88-E91 PolarHBondContact ND2-OE1 3.25Å; N88-E91 PolarHBondContact ND2-OE2 3.03Å; N88-E91 WeakPolarHBondContact O-CB 3.25Å; N88-E91 PolarHBondContact O-N 2.83Å
89	I	94.5	Very high	89.6	Confident	6 Å²	6	40 Å²	40	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-52.8	-28.2	-176.2	-173.6	60.2	0	0	0	113.5	I30 A35 E85 T86 E91 C92 L93 Y124 L127	I30-I89 HydrophobicContact CD1-CD1 3.94Å; I30-I89 HydrophobicContact CG1-CD1 4.28Å; I30-I89 HydrophobicContact CG2-CD1 4.22Å; A35-I89 HydrophobicContact CB-CD1 3.84Å; E85-I89 PolarHBondContact O-N 3.07Å; T86-I89 PolarHBondContact O-N 2.73Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 3.13Å; I89-C92 HydrophobicContact CD1-CB 4.24Å; I89-C92 WeakPolarHBondContact O-CB 3.45Å; I89-C92 PolarHBondContact O-N 3.17Å; I89-L93 WeakPolarHBondContact O-CG 3.49Å; I89-L93 PolarHBondContact O-N 2.92Å; I89-L93 VanDerWaalsContact O-N 3.17Å; I89-Y124 HydrophobicContact CG1-CG 4.44Å; I89-Y124 HydrophobicContact CG2-CD1 3.76Å; I89-Y124 HydrophobicContact CG2-CE1 3.68Å; I89-Y124 HydrophobicContact CG2-CG 4.33Å; I89-L127 HydrophobicContact CG2-CD2 3.93Å
90	E	95.4	Very high	89.5	Confident	101 Å²	101	40.2 Å²	40.2	47%	0.472	19%	0.19	S	C	.	.	H	α-helix	trans	-62.2	-35.3	175.4	-77.3	-148.8	-123.9	0	0	114.3	N88 C92 L93 D94 L127 K131	N88-E90 PolarHBondContact O-N 3.43Å; E90-C92 VanDerWaalsContact C-N 3.3Å; E90-C92 PolarHBondContact O-N 3.19Å; E90-L93 PolarHBondContact O-N 3.28Å; E90-D94 PolarHBondContact O-N 3.48Å; E90-D94 VanDerWaalsContact O-OD2 3.06Å; E90-L127 HydrophobicContact CG-CD1 4.28Å; E90-L127 HydrophobicContact CG-CD2 3.97Å; E90-K131 PolarHBondContact O-NZ 2.97Å; E90-K131 VanDerWaalsContact O-NZ 3.17Å; E90-K131 IonicContact OE2-NZ 3.01Å; E90-K131 PolarHBondContact OE2-NZ 3.16Å
91	E	93.8	Very high	88.9	Confident	88 Å²	88	41.4 Å²	41.4	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-66.6	-34.7	176.6	-62.8	172	177.3	0	0	111.1	F84 N88 I89 F95	F84-E91 HydrophobicContact CD1-CB 4.35Å; N88-E91 HydrophobicContact CB-CG 4.29Å; N88-E91 WeakPolarHBondContact CB-OE2 3.34Å; N88-E91 PolarHBondContact ND2-OE1 3.25Å; N88-E91 PolarHBondContact ND2-OE2 3.03Å; N88-E91 WeakPolarHBondContact O-CB 3.25Å; N88-E91 PolarHBondContact O-N 2.83Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 3.13Å; E91-F95 WeakPolarHBondContact O-CB 3.33Å; E91-F95 PolarHBondContact O-N 3.01Å
92	C	93	Very high	87.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-42.3	173.2	-173.8	0	0	0	0	111.3	F84 I89 E90 F95 I96	F84-C92 HydrophobicContact CB-CB 4.04Å; F84-C92 HydrophobicContact CD1-CB 3.96Å; F84-C92 HydrophobicContact CD2-CB 3.54Å; F84-C92 WeakPolarHBondContact CD2-SG 3.34Å; F84-C92 HydrophobicContact CE1-CB 4.28Å; F84-C92 HydrophobicContact CE2-CB 3.9Å; F84-C92 VanDerWaalsContact CE2-SG 3.53Å; F84-C92 HydrophobicContact CG-CB 3.58Å; F84-C92 HydrophobicContact CZ-CB 4.26Å; I89-C92 HydrophobicContact CD1-CB 4.24Å; I89-C92 WeakPolarHBondContact O-CB 3.45Å; I89-C92 PolarHBondContact O-N 3.17Å; E90-C92 VanDerWaalsContact C-N 3.3Å; E90-C92 PolarHBondContact O-N 3.19Å; C92-F95 PolarHBondContact O-N 2.95Å; C92-I96 WeakPolarHBondContact O-CD1 3.41Å; C92-I96 VanDerWaalsContact O-CG1 3.26Å; C92-I96 WeakPolarHBondContact O-CG1 3.28Å; C92-I96 PolarHBondContact O-N 2.73Å
93	L	93.8	Very high	86.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.4	-38.1	178.1	-61.3	174.7	0	0	0	111.9	I89 E90 I96 L97 L127 I128 K131 L132	I89-L93 WeakPolarHBondContact O-CG 3.49Å; I89-L93 PolarHBondContact O-N 2.92Å; I89-L93 VanDerWaalsContact O-N 3.17Å; E90-L93 PolarHBondContact O-N 3.28Å; L93-I96 HydrophobicContact CD2-CD1 4.39Å; L93-I96 PolarHBondContact O-N 3.01Å; L93-L97 WeakPolarHBondContact O-CB 3.33Å; L93-L97 PolarHBondContact O-N 2.87Å; L93-L127 HydrophobicContact CD1-CD2 4.2Å; L93-L127 HydrophobicContact CD1-CG 3.83Å; L93-I128 HydrophobicContact CD1-CG1 4.23Å; L93-I128 HydrophobicContact CD2-CG1 4.07Å; L93-I128 HydrophobicContact CD2-CG2 4.43Å; L93-K131 HydrophobicContact CB-CD 3.93Å; L93-K131 HydrophobicContact CB-CG 4.34Å; L93-K131 HydrophobicContact CD1-CB 4.38Å; L93-K131 HydrophobicContact CD1-CD 4.27Å; L93-L132 HydrophobicContact CB-CD2 4.33Å; L93-L132 HydrophobicContact CD2-CD1 3.77Å; L93-L132 HydrophobicContact CD2-CD2 4.38Å; L93-L132 HydrophobicContact CD2-CG 4Å; L93-L132 WeakPolarHBondContact O-CD2 3.28Å
94	D	91.7	Very high	84	Confident	54 Å²	54	52.8 Å²	52.8	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-44.2	171.6	-72.8	-43.8	0	0	0	111.2	E90 I96 L97 F98 K131	E90-D94 PolarHBondContact O-N 3.48Å; E90-D94 VanDerWaalsContact O-OD2 3.06Å; D94-I96 VanDerWaalsContact C-N 3.34Å; D94-I96 PolarHBondContact O-N 2.77Å; D94-L97 WeakPolarHBondContact O-CB 3.32Å; D94-L97 PolarHBondContact O-N 2.83Å; D94-F98 HydrophobicContact CB-CD2 4.28Å; D94-F98 HydrophobicContact CB-CE2 4.06Å; D94-F98 WeakPolarHBondContact O-CD2 3.36Å; D94-F98 PolarHBondContact O-N 2.77Å; D94-K131 VanDerWaalsContact CG-CE 3.49Å; D94-K131 WeakPolarHBondContact OD1-CE 3.43Å; D94-K131 IonicContact OD1-NZ 3.43Å; D94-K131 PolarHBondContact OD1-NZ 2.6Å; D94-K131 IonicContact OD2-NZ 3.91Å; D94-K131 PolarHBondContact OD2-NZ 3.21Å
95	F	90	Very high	81.7	Confident	23 Å²	23	57 Å²	57	10%	0.101	30%	0.299	C	S	.	.	H	α-helix	trans	-56.4	-48.7	174.8	179.8	-83.5	0	0	0	111.6	I9 L37 Y39 M82 F84 E91 C92 L97 F98 N99 I100	I9-F95 HydrophobicContact CD1-CD2 3.75Å; I9-F95 HydrophobicContact CD1-CE2 3.75Å; L37-F95 HydrophobicContact CD2-CD1 3.95Å; L37-F95 HydrophobicContact CD2-CE1 4.29Å; Y39-F95 HydrophobicContact CE1-CE1 4.22Å; M82-F95 HydrophobicContact CE-CD1 3.34Å; M82-F95 HydrophobicContact CE-CD2 3.76Å; M82-F95 HydrophobicContact CE-CE1 3.19Å; M82-F95 HydrophobicContact CE-CE2 3.61Å; M82-F95 HydrophobicContact CE-CG 3.65Å; M82-F95 HydrophobicContact CE-CZ 3.33Å; M82-F95 HydrophobicContact SD-CE1 4.46Å; M82-F95 HydrophobicContact SD-CE2 4.24Å; M82-F95 HydrophobicContact SD-CZ 4.09Å; F84-F95 HydrophobicContact CE1-CB 4.41Å; F84-F95 HydrophobicContact CZ-CB 3.92Å; F84-F95 HydrophobicContact CZ-CG 4.18Å; E91-F95 WeakPolarHBondContact O-CB 3.33Å; E91-F95 PolarHBondContact O-N 3.01Å; C92-F95 PolarHBondContact O-N 2.95Å; F95-L97 VanDerWaalsContact C-N 3.31Å; F95-L97 PolarHBondContact O-N 3.04Å; F95-F98 PolarHBondContact O-N 3.29Å; F95-N99 HydrophobicContact CD1-CB 4.32Å; F95-N99 HydrophobicContact CD2-CB 4.37Å; F95-N99 VanDerWaalsContact CD2-ND2 3.29Å; F95-N99 WeakPolarHBondContact CD2-ND2 3.34Å; F95-N99 HydrophobicContact CE1-CB 3.81Å; F95-N99 HydrophobicContact CE2-CB 3.89Å; F95-N99 WeakPolarHBondContact CE2-ND2 3.42Å; F95-N99 HydrophobicContact CZ-CB 3.58Å; F95-N99 WeakPolarHBondContact O-CB 3.5Å; F95-N99 PolarHBondContact O-N 3.03Å; F95-N99 PolarHBondContact O-ND2 2.94Å; F95-I100 HydrophobicContact CD1-CD1 4.42Å; F95-I100 HydrophobicContact CE1-CD1 4.09Å; F95-I100 HydrophobicContact CE1-CG1 4.24Å
96	I	89.3	Confident	79.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-43.9	178	-69.7	160.4	0	0	0	110.6	F26 L28 L37 C92 L93 D94 I100 T101 L132	F26-I96 HydrophobicContact CD2-CD1 4.28Å; F26-I96 HydrophobicContact CD2-CG1 4.4Å; F26-I96 HydrophobicContact CD2-CG2 4.13Å; F26-I96 HydrophobicContact CE1-CG2 4.2Å; F26-I96 HydrophobicContact CE2-CB 4.46Å; F26-I96 HydrophobicContact CE2-CD1 4.02Å; F26-I96 HydrophobicContact CE2-CG1 4.25Å; F26-I96 HydrophobicContact CE2-CG2 3.38Å; F26-I96 HydrophobicContact CZ-CG2 3.43Å; F26-I96 VanDerWaalsContact CZ-CG2 3.43Å; L28-I96 HydrophobicContact CD1-CD1 4.05Å; L28-I96 HydrophobicContact CD2-CD1 4.27Å; L28-I96 HydrophobicContact CG-CD1 4.43Å; L37-I96 HydrophobicContact CD1-CD1 4Å; L37-I96 HydrophobicContact CD1-CG1 4.09Å; L37-I96 HydrophobicContact CD2-CD1 4.15Å; L37-I96 HydrophobicContact CD2-CG1 3.67Å; C92-I96 WeakPolarHBondContact O-CD1 3.41Å; C92-I96 VanDerWaalsContact O-CG1 3.26Å; C92-I96 WeakPolarHBondContact O-CG1 3.28Å; C92-I96 PolarHBondContact O-N 2.73Å; L93-I96 HydrophobicContact CD2-CD1 4.39Å; L93-I96 PolarHBondContact O-N 3.01Å; D94-I96 VanDerWaalsContact C-N 3.34Å; D94-I96 PolarHBondContact O-N 2.77Å; I96-I100 HydrophobicContact CG1-CD1 4.18Å; I96-I100 WeakPolarHBondContact O-CB 3.48Å; I96-I100 PolarHBondContact O-N 3.22Å; I96-I100 VanDerWaalsContact O-N 3.12Å; I96-T101 HydrophobicContact CG2-CG2 3.91Å; I96-T101 PolarHBondContact O-N 3.07Å; I96-L132 HydrophobicContact CB-CD2 4.09Å; I96-L132 HydrophobicContact CG2-CD1 3.9Å; I96-L132 HydrophobicContact CG2-CD2 3.71Å; I96-L132 HydrophobicContact CG2-CG 4.48Å
97	L	86.7	Confident	76.9	Confident	27 Å²	27	64.5 Å²	64.5	14%	0.141	35%	0.346	C	S	.	.	H	α-helix	trans	-58.5	-51.5	-179.2	-169.7	69.1	0	0	0	111.2	L93 D94 F95 T101 H102 Q103 L132	L93-L97 WeakPolarHBondContact O-CB 3.33Å; L93-L97 PolarHBondContact O-N 2.87Å; D94-L97 WeakPolarHBondContact O-CB 3.32Å; D94-L97 PolarHBondContact O-N 2.83Å; F95-L97 VanDerWaalsContact C-N 3.31Å; F95-L97 PolarHBondContact O-N 3.04Å; L97-T101 WeakPolarHBondContact CA-OG1 3.3Å; L97-T101 PolarHBondContact O-OG1 3.39Å; L97-H102 PolarHBondContact O-N 3.03Å; L97-Q103 HydrophobicContact CD1-CB 4.35Å; L97-Q103 VanDerWaalsContact CD1-CD 3.41Å; L97-Q103 HydrophobicContact CD1-CG 3.84Å; L97-L132 HydrophobicContact CB-CD2 4.36Å
98	F	83.7	Confident	74.9	Confident	138 Å²	138	67.1 Å²	67.1	61%	0.605	36%	0.358	S	S	*	.	H	α-helix	trans	-79.2	-41.6	-174.8	-63.5	-58.5	0	0	0	114.2	D94 F95	D94-F98 HydrophobicContact CB-CD2 4.28Å; D94-F98 HydrophobicContact CB-CE2 4.06Å; D94-F98 WeakPolarHBondContact O-CD2 3.36Å; D94-F98 PolarHBondContact O-N 2.77Å; F95-F98 PolarHBondContact O-N 3.29Å
99	N	81.9	Confident	72.6	Confident	67 Å²	67	72.7 Å²	72.7	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-104.9	-10.8	-166.9	-53.9	-92.7	0	0	0	114.3	F95 H102	F95-N99 HydrophobicContact CD1-CB 4.32Å; F95-N99 HydrophobicContact CD2-CB 4.37Å; F95-N99 VanDerWaalsContact CD2-ND2 3.29Å; F95-N99 WeakPolarHBondContact CD2-ND2 3.34Å; F95-N99 HydrophobicContact CE1-CB 3.81Å; F95-N99 HydrophobicContact CE2-CB 3.89Å; F95-N99 WeakPolarHBondContact CE2-ND2 3.42Å; F95-N99 HydrophobicContact CZ-CB 3.58Å; F95-N99 WeakPolarHBondContact O-CB 3.5Å; F95-N99 PolarHBondContact O-N 3.03Å; F95-N99 PolarHBondContact O-ND2 2.94Å; N99-H102 PolarHBondContact O-CE1 2.99Å; N99-H102 VanDerWaalsContact O-CE1 3.27Å
100	I	82.1	Confident	70.7	Confident	6 Å²	6	75.7 Å²	75.7	3%	0.031	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-53.4	-179.7	-60.2	172.3	0	0	0	110.3	N24 F26 L37 Y39 F95 I96 H102	N24-I100 HydrophobicContact CB-CG2 4.04Å; N24-I100 PolarHBondContact ND2-O 3.03Å; F26-I100 HydrophobicContact CD1-CG2 3.67Å; F26-I100 HydrophobicContact CE1-CG2 4.1Å; F26-I100 HydrophobicContact CG-CG2 4.25Å; L37-I100 HydrophobicContact CD1-CD1 4.48Å; L37-I100 HydrophobicContact CD2-CD1 3.98Å; Y39-I100 HydrophobicContact CD1-CD1 3.92Å; Y39-I100 HydrophobicContact CD2-CD1 3.72Å; Y39-I100 HydrophobicContact CD2-CG1 3.89Å; Y39-I100 HydrophobicContact CE1-CD1 4.41Å; Y39-I100 HydrophobicContact CE2-CD1 4.26Å; Y39-I100 HydrophobicContact CE2-CG1 4.2Å; Y39-I100 HydrophobicContact CG-CD1 3.52Å; Y39-I100 HydrophobicContact CG-CG1 4.23Å; F95-I100 HydrophobicContact CD1-CD1 4.42Å; F95-I100 HydrophobicContact CE1-CD1 4.09Å; F95-I100 HydrophobicContact CE1-CG1 4.24Å; I96-I100 HydrophobicContact CG1-CD1 4.18Å; I96-I100 WeakPolarHBondContact O-CB 3.48Å; I96-I100 PolarHBondContact O-N 3.22Å; I96-I100 VanDerWaalsContact O-N 3.12Å; I100-H102 PolarHBondContact O-ND1 2.95Å
101	T	77.5	Confident	69	Low	26 Å²	26	72.7 Å²	72.7	16%	0.16	39%	0.385	C	S	.	.	S	Bend	trans	-84	-13.4	-174.9	72.4	0	0	0	0	114.6	F26 I96 L97 Q103 I111	F26-T101 HydrophobicContact CE1-CG2 4.1Å; F26-T101 HydrophobicContact CZ-CG2 4.21Å; I96-T101 HydrophobicContact CG2-CG2 3.91Å; I96-T101 PolarHBondContact O-N 3.07Å; L97-T101 WeakPolarHBondContact CA-OG1 3.3Å; L97-T101 PolarHBondContact O-OG1 3.39Å; T101-Q103 PolarHBondContact O-N 3.25Å; T101-I111 HydrophobicContact CG2-CD1 4.05Å
102	H	65.4	Low	67.8	Low	70 Å²	70	74.3 Å²	74.3	32%	0.324	40%	0.396	S	S	.	.			trans	48.4	47.8	171.7	-66.1	90.4	0	0	0	114.4	H19 L97 N99 I100 G104 T105	H19-H102 AromaticContact CD2-CE1 3.71Å; H19-H102 AromaticContact CD2-NE2 3.86Å; H19-H102 AromaticContact NE2-CE1 3.87Å; L97-H102 PolarHBondContact O-N 3.03Å; N99-H102 PolarHBondContact O-CE1 2.99Å; N99-H102 VanDerWaalsContact O-CE1 3.27Å; I100-H102 PolarHBondContact O-ND1 2.95Å; H102-G104 PolarHBondContact O-N 3.02Å; H102-T105 PolarHBondContact O-N 3.32Å
103	Q	52.4	Low	67.5	Low	125 Å²	125	79.4 Å²	79.4	58%	0.584	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	14.9	-177.4	-69.1	-160.1	15.6	0	0	115.7	L97 T101 L132	L97-Q103 HydrophobicContact CD1-CB 4.35Å; L97-Q103 VanDerWaalsContact CD1-CD 3.41Å; L97-Q103 HydrophobicContact CD1-CG 3.84Å; T101-Q103 PolarHBondContact O-N 3.25Å; Q103-L132 PolarHBondContact NE2-O 3.41Å
104	G	44.6	Very low	67.3	Low	78 Å²	78	79.5 Å²	79.5	80%	0.804	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-29.3	168.3	0	0	0	0	0	114.5	H102	H102-G104 PolarHBondContact O-N 3.02Å
105	T	40.5	Very low	67.4	Low	118 Å²	118	77.7 Å²	77.7	72%	0.724	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-27.5	-153.6	-15.3	0	0	0	0	117.6	H102	H102-T105 PolarHBondContact O-N 3.32Å
106	L	37.5	Very low	67.7	Low	143 Å²	143	76.6 Å²	76.6	75%	0.749	40%	0.404	S	S	*	.	S	Bend	trans	-144.1	156.1	-174.9	-96.3	122.6	0	0	0	117.2
107	S	40.2	Very low	68.1	Low	75 Å²	75	76.6 Å²	76.6	52%	0.524	40%	0.404	S	S	.	.			trans	-18.1	130.5	176.2	-170.8	0	0	0	0	119.4	K109	S107-K109 PolarHBondContact O-N 3.45Å
108	K	46.1	Very low	68.5	Low	216 Å²	216	75.6 Å²	75.6	94%	0.939	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	23.5	174.1	-66	-173.5	169	-173.7	0	116.7
109	K	45.4	Very low	68.9	Low	166 Å²	166	71.1 Å²	71.1	72%	0.722	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-16.7	-162.5	-80.7	-169	170.8	-174.7	0	117.7	S107	S107-K109 PolarHBondContact O-N 3.45Å
110	T	53.4	Low	69.4	Low	69 Å²	69	68.2 Å²	68.2	42%	0.423	38%	0.379	S	S	.	.	S	Bend	trans	-105.5	-4.5	-160.3	-16.2	0	0	0	0	116.1	E23	E23-T110 HydrophobicContact CG-CG2 4.32Å
111	I	59.8	Low	70	Confident	38 Å²	38	68 Å²	68	20%	0.195	38%	0.377	C	S	.	.			trans	-134.9	74.8	179.6	-45.3	-179.5	0	0	0	109.8	N24 F26 T101 V134	N24-I111 HydrophobicContact CB-CD1 4.11Å; F26-I111 HydrophobicContact CE1-CD1 4.13Å; F26-I111 HydrophobicContact CE1-CG2 4.32Å; T101-I111 HydrophobicContact CG2-CD1 4.05Å; I111-V134 HydrophobicContact CB-CG1 4.43Å; I111-V134 HydrophobicContact CG2-CG1 4.09Å; I111-V134 VanDerWaalsContact O-CG1 3.29Å; I111-V134 WeakPolarHBondContact O-CG1 3.33Å
112	N	70	Confident	70.8	Confident	122 Å²	122	74.2 Å²	74.2	65%	0.652	40%	0.399	S	S	*	.	S	Bend	trans	-74.3	-27.7	177.5	-71.6	-36	0	0	0	112.6	E135	N112-E135 VanDerWaalsContact O-CB 3.26Å; N112-E135 WeakPolarHBondContact O-CB 3.39Å; N112-E135 PolarHBondContact O-N 3.5Å
113	K	85.2	Confident	72.2	Confident	107 Å²	107	80 Å²	80	47%	0.465	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.9	-177.2	-75.2	175.2	-172.2	-103.2	0	112.7	E135 D137	K113-E135 VanDerWaalsContact CA-O 3.26Å; K113-E135 WeakPolarHBondContact CA-O 3.39Å; K113-E135 WeakPolarHBondContact CE-OE2 3.41Å; K113-E135 HydrophobicContact CG-CB 4.04Å; K113-E135 IonicContact NZ-OE1 2.7Å; K113-E135 PolarHBondContact NZ-OE1 2.77Å; K113-E135 IonicContact NZ-OE2 2.75Å; K113-E135 PolarHBondContact NZ-OE2 2.88Å; K113-D137 HydrophobicContact CB-CB 4.36Å; K113-D137 HydrophobicContact CD-CB 4.45Å
114	I	89.8	Confident	74.2	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.8	167.3	-176.1	-172.8	0	0	0	108.8	F26 L28 V116 I128 L132 V134 E135 L136 D137	F26-I114 HydrophobicContact CD2-CD1 3.98Å; F26-I114 HydrophobicContact CD2-CG1 4.21Å; F26-I114 HydrophobicContact CE2-CD1 3.31Å; F26-I114 HydrophobicContact CE2-CG1 3.76Å; F26-I114 HydrophobicContact CZ-CD1 4.05Å; F26-I114 HydrophobicContact CZ-CG1 4.24Å; L28-I114 HydrophobicContact CD1-CD1 3.84Å; L28-I114 HydrophobicContact CG-CD1 4.38Å; I114-V116 HydrophobicContact CD1-CG2 3.78Å; I114-V116 HydrophobicContact CG1-CG2 3.91Å; I114-V116 HydrophobicContact CG2-CG2 3.99Å; I114-I128 HydrophobicContact CD1-CG2 4.41Å; I114-I128 HydrophobicContact CG2-CG2 4.15Å; I114-L132 HydrophobicContact CD1-CD1 4.17Å; I114-V134 HydrophobicContact CB-CG2 3.99Å; I114-V134 HydrophobicContact CG2-CG2 3.43Å; I114-V134 VanDerWaalsContact CG2-CG2 3.43Å; I114-E135 PolarHBondContact N-O 3.19Å; I114-L136 HydrophobicContact CG2-CB 4.39Å; I114-D137 WeakPolarHBondContact O-CB 3.38Å; I114-D137 PolarHBondContact O-N 3.41Å
115	K	94	Very high	76.6	Confident	15 Å²	15	77 Å²	77	7%	0.065	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.4	170.9	-74.2	-171.1	-176.1	-70.7	0	111	A27 L28 D137 E139 K364 A365	A27-K115 WeakPolarHBondContact CA-O 3.47Å; A27-K115 HydrophobicContact CB-CB 4.5Å; A27-K115 WeakPolarHBondContact CB-O 3.47Å; L28-K115 PolarHBondContact N-O 3.03Å; K115-D137 WeakPolarHBondContact CA-O 3.41Å; K115-D137 HydrophobicContact CG-CB 4.26Å; K115-D137 IonicContact NZ-OD2 3.54Å; K115-D137 PolarHBondContact NZ-OD2 3.34Å; K115-E139 HydrophobicContact CB-CG 4.22Å; K115-E139 HydrophobicContact CD-CG 4.05Å; K115-E139 WeakPolarHBondContact CD-OE1 3.5Å; K115-E139 WeakPolarHBondContact CE-OE1 3.31Å; K115-E139 HydrophobicContact CG-CG 4.22Å; K115-E139 IonicContact NZ-OE1 2.77Å; K115-E139 PolarHBondContact NZ-OE1 3.24Å; K115-K364 HydrophobicContact CD-CB 3.58Å; K115-K364 VanDerWaalsContact CE-C 3.5Å; K115-K364 VanDerWaalsContact CE-O 3.29Å; K115-K364 WeakPolarHBondContact CE-O 3.33Å; K115-A365 HydrophobicContact CD-CB 4.08Å; K115-A365 HydrophobicContact CG-CB 4.44Å
116	V	96.8	Very high	79.2	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.4	-178.3	-171.3	0	0	0	0	109.8	L28 I30 I114 A121 I128 L136 D137 K138 E139	L28-V116 HydrophobicContact CB-CG1 3.97Å; L28-V116 HydrophobicContact CB-CG2 4.28Å; L28-V116 HydrophobicContact CD1-CG2 4.49Å; L28-V116 CarbonylContact O-C 3.57Å; L28-V116 WeakPolarHBondContact O-CA 3.5Å; I30-V116 HydrophobicContact CD1-CG1 3.67Å; I30-V116 HydrophobicContact CG1-CG1 3.95Å; I114-V116 HydrophobicContact CD1-CG2 3.78Å; I114-V116 HydrophobicContact CG1-CG2 3.91Å; I114-V116 HydrophobicContact CG2-CG2 3.99Å; V116-A121 HydrophobicContact CB-CB 4.11Å; V116-A121 HydrophobicContact CG1-CB 3.69Å; V116-I128 HydrophobicContact CG1-CD1 4.43Å; V116-L136 HydrophobicContact CB-CD1 3.92Å; V116-L136 HydrophobicContact CB-CD2 4.19Å; V116-L136 HydrophobicContact CB-CG 3.95Å; V116-L136 HydrophobicContact CG1-CD1 4.25Å; V116-L136 HydrophobicContact CG2-CD1 3.8Å; V116-L136 HydrophobicContact CG2-CG 3.77Å; V116-D137 PolarHBondContact N-O 3.21Å; V116-K138 WeakPolarHBondContact O-CA 3.43Å; V116-E139 PolarHBondContact O-N 3.37Å
117	T	97.2	Very high	82	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-179.8	176.7	-160.7	0	0	0	0	111.6	L28 D29 I30 E139 D140 E141 C144 A361	L28-T117 PolarHBondContact O-N 3.19Å; D29-T117 HydrophobicContact CB-CG2 3.85Å; I30-T117 PolarHBondContact N-O 3.21Å; T117-E139 WeakPolarHBondContact CB-O 3.48Å; T117-E139 PolarHBondContact OG1-O 2.96Å; T117-D140 VanDerWaalsContact OG1-C 3.25Å; T117-D140 PolarHBondContact OG1-O 2.69Å; T117-E141 VanDerWaalsContact OG1-CA 3.22Å; T117-E141 WeakPolarHBondContact OG1-CA 3.35Å; T117-E141 PolarHBondContact OG1-N 3.42Å; T117-C144 HydrophobicContact CG2-CB 4.05Å; T117-A361 HydrophobicContact CG2-CB 4.11Å
118	G	94.7	Very high	84.5	Confident	6 Å²	6	71.5 Å²	71.5	6%	0.062	33%	0.333	C	S	.	.	S	Bend	trans	76.9	162	-170.5	0	0	0	0	0	112.9	I30 G120 A121 E141	I30-G118 CarbonylContact O-C 3.57Å; G118-G120 PolarHBondContact O-N 3.35Å; G118-G120 VanDerWaalsContact O-N 3.07Å; G118-A121 WeakPolarHBondContact O-CB 3.05Å; G118-A121 PolarHBondContact O-N 2.92Å; G118-E141 WeakPolarHBondContact CA-OE2 3.39Å
119	G	92.1	Very high	86.8	Confident	45 Å²	45	62.6 Å²	62.6	46%	0.464	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.5	-179.3	0	0	0	0	0	115	A121 Y122 R123	G119-A121 VanDerWaalsContact C-N 3.26Å; G119-A121 PolarHBondContact O-N 3.44Å; G119-Y122 PolarHBondContact O-N 3.42Å; G119-R123 PolarHBondContact O-N 3.1Å
120	G	93.8	Very high	89	Confident	5 Å²	5	59.1 Å²	59.1	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-20.4	175.2	0	0	0	0	0	114.6	I30 G118 Y122 R123 Y124	I30-G120 WeakPolarHBondContact O-CA 3.45Å; I30-G120 PolarHBondContact O-N 3Å; G118-G120 PolarHBondContact O-N 3.35Å; G118-G120 VanDerWaalsContact O-N 3.07Å; G120-Y122 PolarHBondContact O-N 3.45Å; G120-R123 PolarHBondContact O-N 2.83Å; G120-Y124 WeakPolarHBondContact O-CD2 3.38Å; G120-Y124 PolarHBondContact O-N 2.9Å
121	A	94.3	Very high	90.8	Very high	1 Å²	1	58 Å²	58	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-29.7	172.6	0	0	0	0	0	112.6	V116 G118 G119 K138	V116-A121 HydrophobicContact CB-CB 4.11Å; V116-A121 HydrophobicContact CG1-CB 3.69Å; G118-A121 WeakPolarHBondContact O-CB 3.05Å; G118-A121 PolarHBondContact O-N 2.92Å; G119-A121 VanDerWaalsContact C-N 3.26Å; G119-A121 PolarHBondContact O-N 3.44Å; A121-K138 HydrophobicContact CB-CG 3.78Å
122	Y	93.1	Very high	92.2	Very high	158 Å²	158	56.3 Å²	56.3	62%	0.62	28%	0.275	S	S	*	.	H	α-helix	trans	-81	-53.8	169.4	-61.8	-87.4	0	0	0	111.1	G119 G120 Y124 R125 K138	G119-Y122 PolarHBondContact O-N 3.42Å; G120-Y122 PolarHBondContact O-N 3.45Å; Y122-Y124 VanDerWaalsContact C-N 3.34Å; Y122-Y124 PolarHBondContact O-N 3.27Å; Y122-R125 PolarHBondContact O-N 2.85Å; Y122-K138 HydrophobicContact CD1-CD 4.2Å; Y122-K138 HydrophobicContact CD2-CD 4.39Å; Y122-K138 HydrophobicContact CE1-CD 3.63Å; Y122-K138 HydrophobicContact CE2-CD 3.86Å; Y122-K138 VanDerWaalsContact CZ-CD 3.45Å; Y122-K138 PolarHBondContact OH-NZ 3.43Å
123	R	94.5	Very high	92.9	Very high	192 Å²	192	53.6 Å²	53.6	73%	0.725	28%	0.275	S	S	*	.	H	α-helix	trans	-60.6	-37.5	-170	-177.5	176.9	179.4	-176.3	1.3	113.9	G119 G120	G119-R123 PolarHBondContact O-N 3.1Å; G120-R123 PolarHBondContact O-N 2.83Å
124	Y	95.3	Very high	93	Very high	32 Å²	32	49.2 Å²	49.2	13%	0.125	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	12.5	-173.2	-59.7	-75.1	0	0	0	112.9	I30 T86 I89 G120 Y122 E126 L127 I128	I30-Y124 HydrophobicContact CG2-CD2 3.96Å; I30-Y124 HydrophobicContact CG2-CE2 4.16Å; T86-Y124 HydrophobicContact CG2-CE2 3.6Å; T86-Y124 PolarHBondContact O-OH 2.78Å; I89-Y124 HydrophobicContact CG1-CG 4.44Å; I89-Y124 HydrophobicContact CG2-CD1 3.76Å; I89-Y124 HydrophobicContact CG2-CE1 3.68Å; I89-Y124 HydrophobicContact CG2-CG 4.33Å; G120-Y124 WeakPolarHBondContact O-CD2 3.38Å; G120-Y124 PolarHBondContact O-N 2.9Å; Y122-Y124 VanDerWaalsContact C-N 3.34Å; Y122-Y124 PolarHBondContact O-N 3.27Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.17Å; Y124-L127 HydrophobicContact CD1-CD2 4.13Å; Y124-L127 PolarHBondContact O-N 3.35Å; Y124-L127 VanDerWaalsContact O-N 3.12Å; Y124-I128 WeakPolarHBondContact O-CD1 3.27Å; Y124-I128 VanDerWaalsContact O-CG1 3.28Å; Y124-I128 WeakPolarHBondContact O-CG1 3.43Å; Y124-I128 PolarHBondContact O-N 2.95Å
125	R	95.6	Very high	93	Very high	107 Å²	107	53.2 Å²	53.2	40%	0.404	28%	0.277	S	S	.	.	H	α-helix	trans	-53.1	-48.3	-172.8	-172.8	170.1	-163.4	-81.8	-7.1	113.3	Y122 I128 C129 L136	Y122-R125 PolarHBondContact O-N 2.85Å; R125-I128 PolarHBondContact O-N 3.14Å; R125-C129 WeakPolarHBondContact O-CB 3.22Å; R125-C129 PolarHBondContact O-N 3.27Å; R125-C129 PolarHBondContact O-SG 3.33Å; R125-L136 HydrophobicContact CB-CD1 4.32Å; R125-L136 HydrophobicContact CG-CB 4.05Å; R125-L136 HydrophobicContact CG-CD1 4.13Å; R125-L136 HydrophobicContact CG-CD2 4.48Å; R125-L136 HydrophobicContact CG-CG 4.46Å; R125-L136 PolarHBondContact NH2-O 3.13Å
126	E	95.3	Very high	92.9	Very high	171 Å²	171	52.7 Å²	52.7	80%	0.799	27%	0.274	S	S	*	.	H	α-helix	trans	-66.6	-38.9	-178.4	-63.4	-180	172.4	0	0	112	Y124 S130	Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.17Å; E126-S130 VanDerWaalsContact O-CB 3.23Å; E126-S130 WeakPolarHBondContact O-CB 3.36Å; E126-S130 PolarHBondContact O-N 2.91Å; E126-S130 PolarHBondContact O-OG 3.27Å
127	L	95.8	Very high	92.7	Very high	49 Å²	49	54.7 Å²	54.7	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-44.6	176.4	178.4	63.6	0	0	0	111.7	I89 E90 L93 Y124 S130 K131	I89-L127 HydrophobicContact CG2-CD2 3.93Å; E90-L127 HydrophobicContact CG-CD1 4.28Å; E90-L127 HydrophobicContact CG-CD2 3.97Å; L93-L127 HydrophobicContact CD1-CD2 4.2Å; L93-L127 HydrophobicContact CD1-CG 3.83Å; Y124-L127 HydrophobicContact CD1-CD2 4.13Å; Y124-L127 PolarHBondContact O-N 3.35Å; Y124-L127 VanDerWaalsContact O-N 3.12Å; L127-S130 PolarHBondContact O-OG 3.24Å; L127-K131 HydrophobicContact CD1-CD 4.49Å; L127-K131 WeakPolarHBondContact O-CB 3.44Å; L127-K131 PolarHBondContact O-N 3.2Å
128	I	93.5	Very high	92.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-50.2	177.9	-63.5	159.9	0	0	0	110.2	I30 L93 I114 V116 Y124 R125 S130 L132 L136	I30-I128 HydrophobicContact CD1-CD1 3.55Å; L93-I128 HydrophobicContact CD1-CG1 4.23Å; L93-I128 HydrophobicContact CD2-CG1 4.07Å; L93-I128 HydrophobicContact CD2-CG2 4.43Å; I114-I128 HydrophobicContact CD1-CG2 4.41Å; I114-I128 HydrophobicContact CG2-CG2 4.15Å; V116-I128 HydrophobicContact CG1-CD1 4.43Å; Y124-I128 WeakPolarHBondContact O-CD1 3.27Å; Y124-I128 VanDerWaalsContact O-CG1 3.28Å; Y124-I128 WeakPolarHBondContact O-CG1 3.43Å; Y124-I128 PolarHBondContact O-N 2.95Å; R125-I128 PolarHBondContact O-N 3.14Å; I128-S130 PolarHBondContact O-N 3.01Å; I128-L132 HydrophobicContact CG2-CD1 4.24Å; I128-L132 WeakPolarHBondContact O-CB 3.34Å; I128-L132 PolarHBondContact O-N 3.44Å; I128-L132 VanDerWaalsContact O-N 3.12Å; I128-L136 HydrophobicContact CB-CD1 4.15Å; I128-L136 HydrophobicContact CD1-CD1 3.51Å; I128-L136 HydrophobicContact CG1-CD1 4.44Å; I128-L136 HydrophobicContact CG2-CD1 4.12Å
129	C	92.7	Very high	92.7	Very high	30 Å²	30	60.2 Å²	60.2	20%	0.203	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-41.1	-179.8	-66.8	0	0	0	0	112.4	R125 G133 V134 L136	R125-C129 WeakPolarHBondContact O-CB 3.22Å; R125-C129 PolarHBondContact O-N 3.27Å; R125-C129 PolarHBondContact O-SG 3.33Å; C129-G133 VanDerWaalsContact O-CA 3.24Å; C129-G133 WeakPolarHBondContact O-CA 3.41Å; C129-G133 PolarHBondContact O-N 2.98Å; C129-V134 VanDerWaalsContact CA-O 3.28Å; C129-V134 WeakPolarHBondContact CA-O 3.49Å; C129-V134 WeakPolarHBondContact CB-O 3.17Å; C129-V134 PolarHBondContact O-N 2.88Å; C129-V134 PolarHBondContact SG-O 3.41Å; C129-L136 PolarHBondContact SG-N 3.01Å; C129-L136 VanDerWaalsContact SG-N 3.44Å
130	S	92	Very high	92.9	Very high	93 Å²	93	62 Å²	62	65%	0.65	31%	0.307	S	S	*	.	H	α-helix	trans	-77.5	-40	-177.5	57.6	0	0	0	0	113.7	E126 L127 I128	E126-S130 VanDerWaalsContact O-CB 3.23Å; E126-S130 WeakPolarHBondContact O-CB 3.36Å; E126-S130 PolarHBondContact O-N 2.91Å; E126-S130 PolarHBondContact O-OG 3.27Å; L127-S130 PolarHBondContact O-OG 3.24Å; I128-S130 PolarHBondContact O-N 3.01Å
131	K	91.1	Very high	92.9	Very high	44 Å²	44	65 Å²	65	19%	0.191	32%	0.319	C	S	.	.	H	α-helix	trans	-78.6	-31.8	-177.1	-165.2	166.6	-177.4	-177.9	0	113.3	E90 L93 D94 L127	E90-K131 PolarHBondContact O-NZ 2.97Å; E90-K131 VanDerWaalsContact O-NZ 3.17Å; E90-K131 IonicContact OE2-NZ 3.01Å; E90-K131 PolarHBondContact OE2-NZ 3.16Å; L93-K131 HydrophobicContact CB-CD 3.93Å; L93-K131 HydrophobicContact CB-CG 4.34Å; L93-K131 HydrophobicContact CD1-CB 4.38Å; L93-K131 HydrophobicContact CD1-CD 4.27Å; D94-K131 VanDerWaalsContact CG-CE 3.49Å; D94-K131 WeakPolarHBondContact OD1-CE 3.43Å; D94-K131 IonicContact OD1-NZ 3.43Å; D94-K131 PolarHBondContact OD1-NZ 2.6Å; D94-K131 IonicContact OD2-NZ 3.91Å; D94-K131 PolarHBondContact OD2-NZ 3.21Å; L127-K131 HydrophobicContact CD1-CD 4.49Å; L127-K131 WeakPolarHBondContact O-CB 3.44Å; L127-K131 PolarHBondContact O-N 3.2Å
132	L	88.5	Confident	92.9	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-96	-21	175.9	-60.1	-176.6	0	0	0	113.8	F26 L93 I96 L97 Q103 I114 I128 V134	F26-L132 HydrophobicContact CE2-CD1 4.27Å; F26-L132 HydrophobicContact CZ-CD1 4.34Å; L93-L132 HydrophobicContact CB-CD2 4.33Å; L93-L132 HydrophobicContact CD2-CD1 3.77Å; L93-L132 HydrophobicContact CD2-CD2 4.38Å; L93-L132 HydrophobicContact CD2-CG 4Å; L93-L132 WeakPolarHBondContact O-CD2 3.28Å; I96-L132 HydrophobicContact CB-CD2 4.09Å; I96-L132 HydrophobicContact CG2-CD1 3.9Å; I96-L132 HydrophobicContact CG2-CD2 3.71Å; I96-L132 HydrophobicContact CG2-CG 4.48Å; L97-L132 HydrophobicContact CB-CD2 4.36Å; Q103-L132 PolarHBondContact NE2-O 3.41Å; I114-L132 HydrophobicContact CD1-CD1 4.17Å; I128-L132 HydrophobicContact CG2-CD1 4.24Å; I128-L132 WeakPolarHBondContact O-CB 3.34Å; I128-L132 PolarHBondContact O-N 3.44Å; I128-L132 VanDerWaalsContact O-N 3.12Å; L132-V134 HydrophobicContact CB-CG1 4.26Å; L132-V134 HydrophobicContact CB-CG2 3.95Å
133	G	86.5	Confident	93	Very high	65 Å²	65	59.8 Å²	59.8	67%	0.67	30%	0.302	S	S	*	.			trans	77.8	25.3	-178.4	0	0	0	0	0	114.9	C129	C129-G133 VanDerWaalsContact O-CA 3.24Å; C129-G133 WeakPolarHBondContact O-CA 3.41Å; C129-G133 PolarHBondContact O-N 2.98Å
134	V	86.1	Confident	93.1	Very high	15 Å²	15	50.7 Å²	50.7	9%	0.091	27%	0.267	C	S	.	.	S	Bend	trans	-122.2	161.7	-172.5	-53.6	0	0	0	0	111.8	I111 I114 C129 L132	I111-V134 HydrophobicContact CB-CG1 4.43Å; I111-V134 HydrophobicContact CG2-CG1 4.09Å; I111-V134 VanDerWaalsContact O-CG1 3.29Å; I111-V134 WeakPolarHBondContact O-CG1 3.33Å; I114-V134 HydrophobicContact CB-CG2 3.99Å; I114-V134 HydrophobicContact CG2-CG2 3.43Å; I114-V134 VanDerWaalsContact CG2-CG2 3.43Å; C129-V134 VanDerWaalsContact CA-O 3.28Å; C129-V134 WeakPolarHBondContact CA-O 3.49Å; C129-V134 WeakPolarHBondContact CB-O 3.17Å; C129-V134 PolarHBondContact O-N 2.88Å; C129-V134 PolarHBondContact SG-O 3.41Å; L132-V134 HydrophobicContact CB-CG1 4.26Å; L132-V134 HydrophobicContact CB-CG2 3.95Å
135	E	89.3	Confident	93.1	Very high	87 Å²	87	49.4 Å²	49.4	41%	0.407	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125	169.5	-168.1	-160.7	141.2	0	0	110.7	N112 K113 I114 D137	N112-E135 VanDerWaalsContact O-CB 3.26Å; N112-E135 WeakPolarHBondContact O-CB 3.39Å; N112-E135 PolarHBondContact O-N 3.5Å; K113-E135 VanDerWaalsContact CA-O 3.26Å; K113-E135 WeakPolarHBondContact CA-O 3.39Å; K113-E135 WeakPolarHBondContact CE-OE2 3.41Å; K113-E135 HydrophobicContact CG-CB 4.04Å; K113-E135 IonicContact NZ-OE1 2.7Å; K113-E135 PolarHBondContact NZ-OE1 2.77Å; K113-E135 IonicContact NZ-OE2 2.75Å; K113-E135 PolarHBondContact NZ-OE2 2.88Å; I114-E135 PolarHBondContact N-O 3.19Å; E135-D137 PolarHBondContact O-N 2.78Å
136	L	92.7	Very high	93	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.8	171.3	-170.7	157.5	0	0	0	110.7	I114 V116 R125 I128 C129 K138	I114-L136 HydrophobicContact CG2-CB 4.39Å; V116-L136 HydrophobicContact CB-CD1 3.92Å; V116-L136 HydrophobicContact CB-CD2 4.19Å; V116-L136 HydrophobicContact CB-CG 3.95Å; V116-L136 HydrophobicContact CG1-CD1 4.25Å; V116-L136 HydrophobicContact CG2-CD1 3.8Å; V116-L136 HydrophobicContact CG2-CG 3.77Å; R125-L136 HydrophobicContact CB-CD1 4.32Å; R125-L136 HydrophobicContact CG-CB 4.05Å; R125-L136 HydrophobicContact CG-CD1 4.13Å; R125-L136 HydrophobicContact CG-CD2 4.48Å; R125-L136 HydrophobicContact CG-CG 4.46Å; R125-L136 PolarHBondContact NH2-O 3.13Å; I128-L136 HydrophobicContact CB-CD1 4.15Å; I128-L136 HydrophobicContact CD1-CD1 3.51Å; I128-L136 HydrophobicContact CG1-CD1 4.44Å; I128-L136 HydrophobicContact CG2-CD1 4.12Å; C129-L136 PolarHBondContact SG-N 3.01Å; C129-L136 VanDerWaalsContact SG-N 3.44Å; L136-K138 HydrophobicContact CD2-CB 3.67Å; L136-K138 HydrophobicContact CD2-CG 4.21Å
137	D	93.6	Very high	92.9	Very high	42 Å²	42	40.4 Å²	40.4	23%	0.225	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.3	167.6	-172.4	15.4	0	0	0	109.1	K113 I114 K115 V116 E135	K113-D137 HydrophobicContact CB-CB 4.36Å; K113-D137 HydrophobicContact CD-CB 4.45Å; I114-D137 WeakPolarHBondContact O-CB 3.38Å; I114-D137 PolarHBondContact O-N 3.41Å; K115-D137 WeakPolarHBondContact CA-O 3.41Å; K115-D137 HydrophobicContact CG-CB 4.26Å; K115-D137 IonicContact NZ-OD2 3.54Å; K115-D137 PolarHBondContact NZ-OD2 3.34Å; V116-D137 PolarHBondContact N-O 3.21Å; E135-D137 PolarHBondContact O-N 2.78Å
138	K	95.6	Very high	92.7	Very high	87 Å²	87	38.1 Å²	38.1	38%	0.378	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.4	-160.9	-171	-126.4	64.2	-167.7	0	111.4	V116 A121 Y122 L136	V116-K138 WeakPolarHBondContact O-CA 3.43Å; A121-K138 HydrophobicContact CB-CG 3.78Å; Y122-K138 HydrophobicContact CD1-CD 4.2Å; Y122-K138 HydrophobicContact CD2-CD 4.39Å; Y122-K138 HydrophobicContact CE1-CD 3.63Å; Y122-K138 HydrophobicContact CE2-CD 3.86Å; Y122-K138 VanDerWaalsContact CZ-CD 3.45Å; Y122-K138 PolarHBondContact OH-NZ 3.43Å; L136-K138 HydrophobicContact CD2-CB 3.67Å; L136-K138 HydrophobicContact CD2-CG 4.21Å
139	E	95.9	Very high	92.7	Very high	35 Å²	35	38.1 Å²	38.1	16%	0.164	21%	0.209	C	C	.	.			trans	-103.2	149.3	-173.8	-68.7	-67	-178.3	0	0	113.4	K115 V116 T117 K364	K115-E139 HydrophobicContact CB-CG 4.22Å; K115-E139 HydrophobicContact CD-CG 4.05Å; K115-E139 WeakPolarHBondContact CD-OE1 3.5Å; K115-E139 WeakPolarHBondContact CE-OE1 3.31Å; K115-E139 HydrophobicContact CG-CG 4.22Å; K115-E139 IonicContact NZ-OE1 2.77Å; K115-E139 PolarHBondContact NZ-OE1 3.24Å; V116-E139 PolarHBondContact O-N 3.37Å; T117-E139 WeakPolarHBondContact CB-O 3.48Å; T117-E139 PolarHBondContact OG1-O 2.96Å; E139-K364 HydrophobicContact CB-CD 4.47Å; E139-K364 HydrophobicContact CG-CD 3.91Å; E139-K364 WeakPolarHBondContact OE1-CD 3.23Å; E139-K364 VanDerWaalsContact OE2-CD 3.23Å; E139-K364 WeakPolarHBondContact OE2-CD 3.48Å; E139-K364 WeakPolarHBondContact OE2-CE 3.42Å; E139-K364 IonicContact OE2-NZ 3.82Å; E139-K364 PolarHBondContact OE2-NZ 3.26Å
140	D	95.2	Very high	92.5	Very high	82 Å²	82	37 Å²	37	44%	0.439	20%	0.202	S	C	.	.			trans	-69	133.7	176	-179.1	-105.4	0	0	0	112.7	T117 M142 D143 C144	T117-D140 VanDerWaalsContact OG1-C 3.25Å; T117-D140 PolarHBondContact OG1-O 2.69Å; D140-M142 PolarHBondContact O-N 2.9Å; D140-M142 WeakPolarHBondContact OD1-CA 3.44Å; D140-M142 WeakPolarHBondContact OD1-CB 3.36Å; D140-M142 PolarHBondContact OD1-N 2.8Å; D140-D143 HydrophobicContact CB-CB 4.08Å; D140-D143 PolarHBondContact OD1-N 2.96Å; D140-C144 WeakPolarHBondContact O-CB 3.32Å; D140-C144 PolarHBondContact O-N 3.09Å; D140-C144 PolarHBondContact O-SG 2.83Å
141	E	94.5	Very high	92.2	Very high	68 Å²	68	33.7 Å²	33.7	32%	0.318	18%	0.176	S	C	.	.	H	α-helix	trans	-65.7	-37.1	-175.2	-168.8	-175.2	130.4	0	0	112.1	T117 G118 L145	T117-E141 VanDerWaalsContact OG1-CA 3.22Å; T117-E141 WeakPolarHBondContact OG1-CA 3.35Å; T117-E141 PolarHBondContact OG1-N 3.42Å; G118-E141 WeakPolarHBondContact CA-OE2 3.39Å; E141-L145 WeakPolarHBondContact O-CB 3.22Å; E141-L145 PolarHBondContact O-N 2.94Å
142	M	94.4	Very high	91.9	Very high	26 Å²	26	31.6 Å²	31.6	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-80.2	-39.5	-176.5	-57.8	-65.9	124.4	0	0	111.3	D140 L145 V146 L196 Y204	D140-M142 PolarHBondContact O-N 2.9Å; D140-M142 WeakPolarHBondContact OD1-CA 3.44Å; D140-M142 WeakPolarHBondContact OD1-CB 3.36Å; D140-M142 PolarHBondContact OD1-N 2.8Å; M142-L145 PolarHBondContact O-N 3.49Å; M142-L145 HydrophobicContact SD-CD2 4.2Å; M142-V146 WeakPolarHBondContact O-CG2 3.25Å; M142-V146 PolarHBondContact O-N 2.95Å; M142-L196 HydrophobicContact CB-CD2 3.95Å; M142-L196 HydrophobicContact CG-CD2 4.37Å; M142-L196 HydrophobicContact SD-CD1 4.18Å; M142-L196 HydrophobicContact SD-CD2 3.89Å; M142-L196 HydrophobicContact SD-CG 4.34Å; M142-Y204 HydrophobicContact CB-CE2 3.91Å
143	D	95.4	Very high	91.7	Very high	25 Å²	25	31.5 Å²	31.5	13%	0.134	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-43.5	173.6	-171.2	32.3	0	0	0	111.2	D140 R147 Y204 K364	D140-D143 HydrophobicContact CB-CB 4.08Å; D140-D143 PolarHBondContact OD1-N 2.96Å; D143-R147 WeakPolarHBondContact O-CB 3.47Å; D143-R147 VanDerWaalsContact O-CG 3.23Å; D143-R147 WeakPolarHBondContact O-CG 3.38Å; D143-R147 PolarHBondContact O-N 2.9Å; D143-R147 IonicContact OD1-CZ 3.73Å; D143-R147 IonicContact OD1-NE 3.79Å; D143-R147 PolarHBondContact OD1-NE 2.79Å; D143-R147 IonicContact OD1-NH2 2.69Å; D143-R147 PolarHBondContact OD1-NH2 2.62Å; D143-R147 IonicContact OD2-CZ 2.67Å; D143-R147 IonicContact OD2-NE 3.07Å; D143-R147 PolarHBondContact OD2-NE 3.49Å; D143-R147 VanDerWaalsContact OD2-NE 3.08Å; D143-R147 IonicContact OD2-NH2 2.87Å; D143-R147 PolarHBondContact OD2-NH2 2.73Å; D143-Y204 VanDerWaalsContact CA-OH 3.25Å; D143-Y204 WeakPolarHBondContact CA-OH 3.39Å; D143-Y204 HydrophobicContact CB-CE1 4.4Å; D143-Y204 VanDerWaalsContact CB-OH 3.25Å; D143-Y204 WeakPolarHBondContact CB-OH 3.46Å; D143-Y204 PolarHBondContact N-OH 2.98Å; D143-K364 WeakPolarHBondContact OD2-CE 3.49Å; D143-K364 IonicContact OD2-NZ 2.67Å; D143-K364 PolarHBondContact OD2-NZ 2.77Å
144	C	95.7	Very high	91.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-46.6	175.3	-75.4	0	0	0	0	112	T117 D140 V146 R147 G148 G357 G360 A361 K364	T117-C144 HydrophobicContact CG2-CB 4.05Å; D140-C144 WeakPolarHBondContact O-CB 3.32Å; D140-C144 PolarHBondContact O-N 3.09Å; D140-C144 PolarHBondContact O-SG 2.83Å; C144-V146 VanDerWaalsContact C-N 3.32Å; C144-V146 PolarHBondContact O-N 3.41Å; C144-R147 PolarHBondContact O-N 3.33Å; C144-G148 PolarHBondContact O-N 2.89Å; C144-G357 WeakPolarHBondContact CB-O 3.46Å; C144-G360 VanDerWaalsContact O-CA 3.3Å; C144-G360 WeakPolarHBondContact O-CA 3.4Å; C144-A361 PolarHBondContact SG-N 2.8Å; C144-K364 PolarHBondContact SG-NZ 3.43Å; C144-K364 VanDerWaalsContact SG-NZ 3.44Å
145	L	95.4	Very high	90.9	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-52.2	-47.6	173.7	168.4	68.8	0	0	0	112.5	E141 M142 C149 L186 N188 L196 L356	E141-L145 WeakPolarHBondContact O-CB 3.22Å; E141-L145 PolarHBondContact O-N 2.94Å; M142-L145 PolarHBondContact O-N 3.49Å; M142-L145 HydrophobicContact SD-CD2 4.2Å; L145-C149 VanDerWaalsContact O-CB 3.27Å; L145-C149 WeakPolarHBondContact O-CB 3.49Å; L145-C149 PolarHBondContact O-N 2.68Å; L145-L186 HydrophobicContact CD1-CD2 4.07Å; L145-L186 HydrophobicContact CD2-CD2 4.2Å; L145-L186 HydrophobicContact CG-CD2 3.79Å; L145-N188 HydrophobicContact CD1-CB 4.03Å; L145-N188 HydrophobicContact CD2-CB 3.62Å; L145-N188 HydrophobicContact CG-CB 4.48Å; L145-L196 HydrophobicContact CD2-CD1 3.69Å; L145-L196 HydrophobicContact CD2-CD2 4.09Å; L145-L356 HydrophobicContact CD1-CB 3.98Å; L145-L356 HydrophobicContact CD1-CD1 4.09Å
146	V	94.5	Very high	90.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-44.7	179.9	169.9	0	0	0	0	111.2	M142 C144 G148 C149 V150 L186 L196 V198 Y204	M142-V146 WeakPolarHBondContact O-CG2 3.25Å; M142-V146 PolarHBondContact O-N 2.95Å; C144-V146 VanDerWaalsContact C-N 3.32Å; C144-V146 PolarHBondContact O-N 3.41Å; V146-G148 PolarHBondContact O-N 2.89Å; V146-C149 PolarHBondContact O-N 2.97Å; V146-V150 HydrophobicContact CG1-CG2 4.31Å; V146-V150 WeakPolarHBondContact O-CB 3.35Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.34Å; V146-V150 PolarHBondContact O-N 3.42Å; V146-L186 HydrophobicContact CG2-CD2 4.42Å; V146-L196 HydrophobicContact CG2-CD2 3.84Å; V146-V198 HydrophobicContact CG1-CG1 3.8Å; V146-V198 HydrophobicContact CG2-CG2 4.05Å; V146-Y204 HydrophobicContact CB-CD1 4.17Å; V146-Y204 HydrophobicContact CB-CG 4.41Å; V146-Y204 HydrophobicContact CG1-CD1 4Å; V146-Y204 HydrophobicContact CG1-CG 4.36Å; V146-Y204 HydrophobicContact CG2-CD1 4.07Å; V146-Y204 HydrophobicContact CG2-CD2 4.05Å; V146-Y204 HydrophobicContact CG2-CG 3.8Å
147	R	92.4	Very high	89.6	Confident	89 Å²	89	32 Å²	32	34%	0.336	15%	0.148	S	C	.	.	H	α-helix	trans	-60.9	-44.2	177.2	-72.9	171.1	-163.8	-111.1	1.4	112.5	D143 C144 V150 F151	D143-R147 WeakPolarHBondContact O-CB 3.47Å; D143-R147 VanDerWaalsContact O-CG 3.23Å; D143-R147 WeakPolarHBondContact O-CG 3.38Å; D143-R147 PolarHBondContact O-N 2.9Å; D143-R147 IonicContact OD1-CZ 3.73Å; D143-R147 IonicContact OD1-NE 3.79Å; D143-R147 PolarHBondContact OD1-NE 2.79Å; D143-R147 IonicContact OD1-NH2 2.69Å; D143-R147 PolarHBondContact OD1-NH2 2.62Å; D143-R147 IonicContact OD2-CZ 2.67Å; D143-R147 IonicContact OD2-NE 3.07Å; D143-R147 PolarHBondContact OD2-NE 3.49Å; D143-R147 VanDerWaalsContact OD2-NE 3.08Å; D143-R147 IonicContact OD2-NH2 2.87Å; D143-R147 PolarHBondContact OD2-NH2 2.73Å; C144-R147 PolarHBondContact O-N 3.33Å; R147-V150 PolarHBondContact O-N 3.11Å; R147-F151 VanDerWaalsContact O-CB 3.27Å; R147-F151 WeakPolarHBondContact O-CB 3.33Å; R147-F151 PolarHBondContact O-N 3.03Å
148	G	92.1	Very high	88.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-43.9	176.7	0	0	0	0	0	112.7	C144 V146 F151 M152 L356	C144-G148 PolarHBondContact O-N 2.89Å; V146-G148 PolarHBondContact O-N 2.89Å; G148-F151 PolarHBondContact O-N 3.16Å; G148-M152 WeakPolarHBondContact O-CG 3.42Å; G148-M152 PolarHBondContact O-N 3.4Å; G148-L356 WeakPolarHBondContact CA-O 3.26Å
149	C	92.3	Very high	88.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.7	-49.8	174.2	-174.6	0	0	0	0	111.9	L145 V146 F151 M152 L153 L186 L356	L145-C149 VanDerWaalsContact O-CB 3.27Å; L145-C149 WeakPolarHBondContact O-CB 3.49Å; L145-C149 PolarHBondContact O-N 2.68Å; V146-C149 PolarHBondContact O-N 2.97Å; C149-F151 VanDerWaalsContact C-N 3.33Å; C149-F151 PolarHBondContact O-N 2.8Å; C149-M152 PolarHBondContact O-N 2.82Å; C149-L153 WeakPolarHBondContact O-CB 3.41Å; C149-L153 VanDerWaalsContact O-CG 3.26Å; C149-L153 WeakPolarHBondContact O-CG 3.36Å; C149-L153 PolarHBondContact O-N 3.36Å; C149-L186 HydrophobicContact CB-CD2 3.85Å; C149-L356 HydrophobicContact CB-CD1 4.11Å
150	V	88.7	Confident	88.1	Confident	7 Å²	7	25 Å²	25	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-67.9	-31.4	179.7	170.8	0	0	0	0	112.3	V146 R147 R154 F182 F184 P201	V146-V150 HydrophobicContact CG1-CG2 4.31Å; V146-V150 WeakPolarHBondContact O-CB 3.35Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.34Å; V146-V150 PolarHBondContact O-N 3.42Å; R147-V150 PolarHBondContact O-N 3.11Å; V150-R154 VanDerWaalsContact O-CB 3.29Å; V150-R154 WeakPolarHBondContact O-CB 3.44Å; V150-R154 WeakPolarHBondContact O-CD 3.26Å; V150-R154 WeakPolarHBondContact O-CG 3.21Å; V150-R154 PolarHBondContact O-N 3.03Å; V150-F182 HydrophobicContact CB-CZ 4.41Å; V150-F182 HydrophobicContact CG1-CZ 3.86Å; V150-F182 HydrophobicContact CG2-CE1 3.75Å; V150-F182 HydrophobicContact CG2-CZ 3.62Å; V150-F184 HydrophobicContact CG2-CZ 4.3Å; V150-P201 HydrophobicContact CG1-CB 3.97Å; V150-P201 HydrophobicContact CG1-CG 3.99Å
151	F	85.9	Confident	88	Confident	24 Å²	24	21.6 Å²	21.6	11%	0.105	10%	0.097	C	C	.	.	H	α-helix	trans	-67.1	-50.7	172.3	170.6	-91.7	0	0	0	111.6	R147 G148 C149 L153 R154 N155 V359 L363 W378	R147-F151 VanDerWaalsContact O-CB 3.27Å; R147-F151 WeakPolarHBondContact O-CB 3.33Å; R147-F151 PolarHBondContact O-N 3.03Å; G148-F151 PolarHBondContact O-N 3.16Å; C149-F151 VanDerWaalsContact C-N 3.33Å; C149-F151 PolarHBondContact O-N 2.8Å; F151-L153 PolarHBondContact O-N 2.75Å; F151-R154 PolarHBondContact O-N 2.76Å; F151-R154 VanDerWaalsContact O-N 3.11Å; F151-N155 WeakPolarHBondContact CD2-ND2 3.35Å; F151-N155 HydrophobicContact CE2-CB 4.24Å; F151-N155 HydrophobicContact CZ-CB 4.38Å; F151-N155 PolarHBondContact O-N 2.85Å; F151-N155 PolarHBondContact O-ND2 3.09Å; F151-V359 HydrophobicContact CB-CG1 4.48Å; F151-V359 HydrophobicContact CD1-CG1 3.65Å; F151-V359 HydrophobicContact CE1-CG1 4.17Å; F151-V359 HydrophobicContact CG-CG1 4.26Å; F151-L363 HydrophobicContact CB-CD1 3.51Å; F151-L363 HydrophobicContact CD1-CD1 4.36Å; F151-L363 HydrophobicContact CD2-CD1 3.79Å; F151-L363 HydrophobicContact CD2-CD2 3.63Å; F151-L363 HydrophobicContact CD2-CG 4.33Å; F151-L363 HydrophobicContact CE2-CD2 3.74Å; F151-L363 HydrophobicContact CG-CD1 3.64Å; F151-L363 HydrophobicContact CG-CD2 4.26Å; F151-L363 HydrophobicContact CZ-CD2 4.44Å; F151-W378 AromaticContact CE2-NE1 3.93Å; F151-W378 AromaticContact CZ-CD1 3.53Å; F151-W378 HydrophobicContact CZ-CG 4.24Å; F151-W378 AromaticContact CZ-NE1 3.57Å
152	M	85.6	Confident	87.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-49.7	-178.2	-68.7	-56.5	-161.9	0	0	111	F81 G148 C149 R154 N155 I156 E159 H352 L356 V359 L469	F81-M152 HydrophobicContact CE1-CE 3.48Å; F81-M152 VanDerWaalsContact CE1-CE 3.48Å; F81-M152 HydrophobicContact CZ-CE 3.44Å; F81-M152 VanDerWaalsContact CZ-CE 3.44Å; G148-M152 WeakPolarHBondContact O-CG 3.42Å; G148-M152 PolarHBondContact O-N 3.4Å; C149-M152 PolarHBondContact O-N 2.82Å; M152-R154 PolarHBondContact O-N 3.17Å; M152-N155 PolarHBondContact O-N 2.84Å; M152-I156 HydrophobicContact CB-CG1 4.38Å; M152-I156 WeakPolarHBondContact O-CB 3.41Å; M152-I156 PolarHBondContact O-N 3.35Å; M152-I156 HydrophobicContact SD-CD1 4.1Å; M152-I156 HydrophobicContact SD-CG1 3.5Å; M152-I156 WeakPolarHBondContact SD-CG1 3.34Å; M152-E159 HydrophobicContact CB-CG 3.96Å; M152-H352 HydrophobicContact CE-CB 3.57Å; M152-H352 HydrophobicContact CG-CB 4.22Å; M152-H352 HydrophobicContact SD-CB 4.17Å; M152-L356 HydrophobicContact CG-CD2 3.97Å; M152-V359 HydrophobicContact CE-CG1 4.45Å; M152-V359 HydrophobicContact CE-CG2 3.66Å; M152-L469 HydrophobicContact CE-CD1 4.2Å; M152-L469 HydrophobicContact SD-CD1 4.44Å
153	L	83.8	Confident	87.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-17.5	176.9	-72.4	171.1	0	0	0	115.3	C149 F151 L160 C177 T181 F184 I317 L350	C149-L153 WeakPolarHBondContact O-CB 3.41Å; C149-L153 VanDerWaalsContact O-CG 3.26Å; C149-L153 WeakPolarHBondContact O-CG 3.36Å; C149-L153 PolarHBondContact O-N 3.36Å; F151-L153 PolarHBondContact O-N 2.75Å; L153-L160 HydrophobicContact CD2-CB 4.05Å; L153-L160 HydrophobicContact CD2-CD1 4.04Å; L153-L160 HydrophobicContact CD2-CD2 4.15Å; L153-L160 HydrophobicContact CD2-CG 4.32Å; L153-C177 HydrophobicContact CD2-CB 4.39Å; L153-C177 CarbonylContact O-C 3.5Å; L153-T181 HydrophobicContact CB-CG2 4.41Å; L153-T181 HydrophobicContact CD1-CG2 4.11Å; L153-T181 HydrophobicContact CD2-CG2 4.18Å; L153-T181 HydrophobicContact CG-CG2 4.48Å; L153-F184 HydrophobicContact CD1-CE1 4.41Å; L153-F184 HydrophobicContact CD1-CZ 4.1Å; L153-I317 HydrophobicContact CD1-CD1 3.91Å; L153-L350 HydrophobicContact CD2-CD2 3.66Å; L153-L350 HydrophobicContact CG-CD2 4.13Å
154	R	78.3	Confident	87.7	Confident	126 Å²	126	21.9 Å²	21.9	48%	0.475	10%	0.095	S	C	.	.	H	α-helix	trans	-112.7	-18.4	-175	-77	178.8	163.4	-170	-8.8	115.2	V150 F151 M152 L178	V150-R154 VanDerWaalsContact O-CB 3.29Å; V150-R154 WeakPolarHBondContact O-CB 3.44Å; V150-R154 WeakPolarHBondContact O-CD 3.26Å; V150-R154 WeakPolarHBondContact O-CG 3.21Å; V150-R154 PolarHBondContact O-N 3.03Å; F151-R154 PolarHBondContact O-N 2.76Å; F151-R154 VanDerWaalsContact O-N 3.11Å; M152-R154 PolarHBondContact O-N 3.17Å; R154-L178 VanDerWaalsContact C-CD2 3.47Å; R154-L178 VanDerWaalsContact O-CD2 3.28Å; R154-L178 WeakPolarHBondContact O-CD2 3.46Å
155	N	77.4	Confident	87.5	Confident	24 Å²	24	27 Å²	27	13%	0.128	12%	0.117	C	C	.	.	H	α-helix	trans	-129.3	-1.7	-172.6	-53	-87.6	0	0	0	113	F151 M152 A376 W378	F151-N155 WeakPolarHBondContact CD2-ND2 3.35Å; F151-N155 HydrophobicContact CE2-CB 4.24Å; F151-N155 HydrophobicContact CZ-CB 4.38Å; F151-N155 PolarHBondContact O-N 2.85Å; F151-N155 PolarHBondContact O-ND2 3.09Å; M152-N155 PolarHBondContact O-N 2.84Å; N155-A376 PolarHBondContact OD1-O 2.87Å; N155-W378 PolarHBondContact O-N 3.46Å; N155-W378 VanDerWaalsContact O-N 3.12Å; N155-W378 VanDerWaalsContact O-O 3.07Å
156	I	78	Confident	87.4	Confident	3 Å²	3	34 Å²	34	2%	0.015	15%	0.15	C	C	.	.	S	Bend	trans	-117.2	118.9	174.4	-49.1	-59.1	0	0	0	108.7	M152 E159 W378 L469	M152-I156 HydrophobicContact CB-CG1 4.38Å; M152-I156 WeakPolarHBondContact O-CB 3.41Å; M152-I156 PolarHBondContact O-N 3.35Å; M152-I156 HydrophobicContact SD-CD1 4.1Å; M152-I156 HydrophobicContact SD-CG1 3.5Å; M152-I156 WeakPolarHBondContact SD-CG1 3.34Å; I156-E159 HydrophobicContact CB-CB 4.05Å; I156-E159 HydrophobicContact CG2-CB 4.1Å; I156-W378 HydrophobicContact CD1-CB 3.72Å; I156-L469 HydrophobicContact CD1-CD1 3.49Å; I156-L469 VanDerWaalsContact CD1-CD1 3.49Å; I156-L469 HydrophobicContact CD1-CD2 4.09Å; I156-L469 HydrophobicContact CD1-CG 4.37Å; I156-L469 HydrophobicContact CG1-CD1 4.49Å
157	P	75.9	Confident	87.1	Confident	28 Å²	28	35.1 Å²	35.1	18%	0.182	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	141.1	170.8	-22.6	34.5	0	0	0	111.4	E159 L377 L770	P157-E159 PolarHBondContact O-N 2.92Å; P157-L377 HydrophobicContact CG-CD1 4.1Å; P157-L770 HydrophobicContact CG-CD1 4.37Å
158	D	80.5	Confident	86.8	Confident	9 Å²	9	35.8 Å²	35.8	5%	0.048	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	28.2	168.5	-44.7	-37.2	0	0	0	114.1	L160 F173 R351 V559 R563 R769	D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 3.36Å; D158-F173 HydrophobicContact CB-CD1 4.5Å; D158-F173 WeakPolarHBondContact O-CD1 3.25Å; D158-F173 WeakPolarHBondContact O-CE1 3.21Å; D158-R351 WeakPolarHBondContact O-CD 3.47Å; D158-V559 HydrophobicContact CB-CG2 4.18Å; D158-R563 IonicContact OD2-NH2 2.73Å; D158-R769 IonicContact OD1-NH1 3.18Å; D158-R769 PolarHBondContact OD1-NH1 3.26Å
159	E	85.7	Confident	86.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.			trans	-66.1	-27.2	177.5	172.1	62.1	-161.9	0	0	113.9	M152 I156 P157 L350 R351 H352	M152-E159 HydrophobicContact CB-CG 3.96Å; I156-E159 HydrophobicContact CB-CB 4.05Å; I156-E159 HydrophobicContact CG2-CB 4.1Å; P157-E159 PolarHBondContact O-N 2.92Å; E159-L350 HydrophobicContact CG-CD2 3.87Å; E159-L350 WeakPolarHBondContact O-CA 3.42Å; E159-L350 WeakPolarHBondContact OE1-CB 3.34Å; E159-R351 PolarHBondContact O-N 3.45Å; E159-R351 PolarHBondContact OE1-N 2.95Å; E159-R351 VanDerWaalsContact OE1-N 3.16Å; E159-H352 PolarHBondContact OE1-N 3.09Å; E159-H352 IonicContact OE1-ND1 2.98Å; E159-H352 IonicContact OE2-CE1 3.66Å; E159-H352 IonicContact OE2-CG 2.64Å; E159-H352 IonicContact OE2-ND1 2.63Å; E159-H352 PolarHBondContact OE2-ND1 3.39Å
160	L	89.3	Confident	86.6	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.1	-170.2	-172.6	68.6	0	0	0	110.8	L153 D158 V174 C177 I317 L348 F349 L350	L153-L160 HydrophobicContact CD2-CB 4.05Å; L153-L160 HydrophobicContact CD2-CD1 4.04Å; L153-L160 HydrophobicContact CD2-CD2 4.15Å; L153-L160 HydrophobicContact CD2-CG 4.32Å; D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 3.36Å; L160-V174 HydrophobicContact CD2-CB 4.44Å; L160-V174 HydrophobicContact CG-CB 4.48Å; L160-V174 PolarHBondContact O-N 3.32Å; L160-C177 HydrophobicContact CB-CB 4.19Å; L160-C177 HydrophobicContact CD2-CB 4.15Å; L160-I317 HydrophobicContact CD1-CD1 4.15Å; L160-I317 HydrophobicContact CD1-CG1 4.3Å; L160-I317 HydrophobicContact CD1-CG2 4.18Å; L160-L348 HydrophobicContact CD1-CB 3.8Å; L160-L348 HydrophobicContact CD2-CD1 4.41Å; L160-L348 HydrophobicContact CG-CB 4.45Å; L160-F349 WeakPolarHBondContact CA-O 3.27Å; L160-L350 HydrophobicContact CD1-CD2 3.89Å
161	F	91.3	Very high	86.7	Confident	12 Å²	12	38.4 Å²	38.4	5%	0.053	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	167.1	178.7	62.8	-83.7	0	0	0	112.8	H171 V172 F173 M330 L348 F349 R351	F161-H171 HydrophobicContact CD2-CB 4.26Å; F161-H171 AromaticContact CE2-CD2 3.64Å; F161-V172 CarbonylContact C-O 3.55Å; F161-V172 WeakPolarHBondContact CA-O 3.49Å; F161-V172 WeakPolarHBondContact CB-O 3.44Å; F161-F173 HydrophobicContact CB-CD1 3.6Å; F161-F173 HydrophobicContact CB-CE1 3.86Å; F161-F173 HydrophobicContact CB-CG 4.16Å; F161-F173 HydrophobicContact CD1-CD1 4.31Å; F161-F173 AromaticContact CD1-CE1 3.87Å; F161-F173 HydrophobicContact CD1-CE1 3.87Å; F161-F173 HydrophobicContact CG-CD1 4.3Å; F161-F173 HydrophobicContact CG-CE1 4.07Å; F161-M330 HydrophobicContact CE2-CE 4.44Å; F161-M330 HydrophobicContact CE2-SD 3.72Å; F161-M330 HydrophobicContact CZ-SD 3.99Å; F161-L348 CarbonylContact O-C 3.56Å; F161-L348 VanDerWaalsContact O-CA 3.25Å; F161-L348 WeakPolarHBondContact O-CA 3.39Å; F161-F349 HydrophobicContact CD1-CB 4.35Å; F161-F349 HydrophobicContact CD2-CB 4.1Å; F161-F349 HydrophobicContact CD2-CD2 4.47Å; F161-F349 HydrophobicContact CE1-CB 3.89Å; F161-F349 HydrophobicContact CE2-CB 3.61Å; F161-F349 HydrophobicContact CE2-CD2 4.23Å; F161-F349 HydrophobicContact CE2-CG 4.22Å; F161-F349 HydrophobicContact CG-CB 4.44Å; F161-F349 HydrophobicContact CZ-CB 3.5Å; F161-F349 VanDerWaalsContact CZ-CB 3.5Å; F161-F349 HydrophobicContact CZ-CG 4.46Å; F161-F349 PolarHBondContact N-O 3.48Å; F161-F349 PolarHBondContact O-N 3Å; F161-R351 HydrophobicContact CD1-CG 4.13Å; F161-R351 HydrophobicContact CE1-CG 4.01Å
162	Y	92.9	Very high	86.9	Confident	57 Å²	57	38.4 Å²	38.4	22%	0.224	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	158	161	67.4	-88.1	0	0	0	110.3	D164 V172 V174 K346 A347	Y162-D164 HydrophobicContact CD2-CB 4.33Å; Y162-D164 HydrophobicContact CE2-CB 4.06Å; Y162-V172 HydrophobicContact CD1-CB 4.11Å; Y162-V172 HydrophobicContact CD1-CG1 4.44Å; Y162-V172 WeakPolarHBondContact CD1-O 3.32Å; Y162-V172 HydrophobicContact CD2-CB 4.27Å; Y162-V172 HydrophobicContact CE1-CB 3.72Å; Y162-V172 HydrophobicContact CE1-CG1 3.64Å; Y162-V172 HydrophobicContact CE2-CB 3.88Å; Y162-V172 HydrophobicContact CE2-CG1 4.33Å; Y162-V172 HydrophobicContact CE2-CG2 4.07Å; Y162-V172 HydrophobicContact CG-CB 4.38Å; Y162-V172 PolarHBondContact N-O 3.14Å; Y162-V172 PolarHBondContact O-N 3.34Å; Y162-V174 HydrophobicContact CD1-CG2 4.31Å; Y162-K346 HydrophobicContact CD1-CD 4.38Å; Y162-K346 HydrophobicContact CG-CD 4.44Å; Y162-A347 VanDerWaalsContact CB-O 3.31Å; Y162-A347 WeakPolarHBondContact CB-O 3.29Å
163	Y	93.6	Very high	87	Confident	30 Å²	30	39.4 Å²	39.4	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.5	177.1	-168.8	-97.1	0	0	0	110.4	K165 A170 H171 M330 E331	Y163-K165 HydrophobicContact CE1-CB 4.1Å; Y163-A170 CarbonylContact C-O 3.47Å; Y163-A170 WeakPolarHBondContact CA-O 3.37Å; Y163-A170 HydrophobicContact CD2-CB 4.09Å; Y163-A170 HydrophobicContact CE1-CB 4.34Å; Y163-A170 HydrophobicContact CE2-CB 3.49Å; Y163-A170 VanDerWaalsContact CE2-CB 3.49Å; Y163-H171 AromaticContact CD2-CD2 3.81Å; Y163-H171 AromaticContact CE2-NE2 3.99Å; Y163-M330 HydrophobicContact CD1-CB 4.22Å; Y163-M330 HydrophobicContact CD2-CB 4.01Å; Y163-M330 HydrophobicContact CD2-CE 3.69Å; Y163-M330 HydrophobicContact CD2-SD 4.48Å; Y163-M330 HydrophobicContact CE2-CE 3.94Å; Y163-M330 HydrophobicContact CG-CB 3.74Å; Y163-E331 HydrophobicContact CD1-CB 4.15Å; Y163-E331 HydrophobicContact CE1-CB 3.83Å; Y163-E331 HydrophobicContact CE1-CG 4.49Å
164	D	92.9	Very high	87	Confident	37 Å²	37	41.4 Å²	41.4	20%	0.198	21%	0.208	C	C	.	.			trans	-138.5	107.7	169.8	-161.5	-36.3	0	0	0	109.9	Y162 H166 A167 A170 R338	Y162-D164 HydrophobicContact CD2-CB 4.33Å; Y162-D164 HydrophobicContact CE2-CB 4.06Å; D164-H166 PolarHBondContact O-N 2.99Å; D164-H166 WeakPolarHBondContact OD1-CB 3.39Å; D164-H166 IonicContact OD1-CD2 2.7Å; D164-H166 IonicContact OD1-CG 3.76Å; D164-H166 PolarHBondContact OD1-N 2.92Å; D164-A167 HydrophobicContact CB-CB 4.33Å; D164-A167 WeakPolarHBondContact O-CB 3.25Å; D164-A167 PolarHBondContact O-N 2.94Å; D164-A170 PolarHBondContact N-O 3.36Å; D164-A170 VanDerWaalsContact O-CA 3.29Å; D164-A170 WeakPolarHBondContact O-CA 3.44Å; D164-A170 WeakPolarHBondContact O-CB 3.26Å; D164-R338 IonicContact OD2-NH1 3.51Å
165	K	91.2	Very high	86.4	Confident	107 Å²	107	37 Å²	37	47%	0.465	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.3	-179.3	73.6	-175.1	-177.7	178	0	114.8	Y163 E331	Y163-K165 HydrophobicContact CE1-CB 4.1Å; K165-E331 VanDerWaalsContact CD-CD 3.41Å; K165-E331 HydrophobicContact CD-CG 3.96Å; K165-E331 WeakPolarHBondContact CD-OE1 3.37Å; K165-E331 WeakPolarHBondContact CE-OE1 3.46Å; K165-E331 IonicContact NZ-OE1 3.7Å; K165-E331 PolarHBondContact NZ-OE1 2.86Å
166	H	92.3	Very high	85.6	Confident	153 Å²	153	38.1 Å²	38.1	71%	0.708	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-9	176.1	-57	-70.5	0	0	0	112.7	D164	D164-H166 PolarHBondContact O-N 2.99Å; D164-H166 WeakPolarHBondContact OD1-CB 3.39Å; D164-H166 IonicContact OD1-CD2 2.7Å; D164-H166 IonicContact OD1-CG 3.76Å; D164-H166 PolarHBondContact OD1-N 2.92Å
167	A	89.4	Confident	84.6	Confident	25 Å²	25	38.3 Å²	38.3	21%	0.207	20%	0.203	C	C	.	.	S	Bend	trans	-82.4	154.1	164.6	0	0	0	0	0	110.4	D164 P169 A170 V172	D164-A167 HydrophobicContact CB-CB 4.33Å; D164-A167 WeakPolarHBondContact O-CB 3.25Å; D164-A167 PolarHBondContact O-N 2.94Å; A167-P169 CarbonylContact C-O 3.59Å; A167-P169 WeakPolarHBondContact CB-O 3.42Å; A167-P169 CarbonylContact O-C 3.51Å; A167-A170 PolarHBondContact O-N 3.13Å; A167-V172 HydrophobicContact CB-CG2 3.75Å
168	T	86.1	Confident	83.6	Confident	103 Å²	103	38.4 Å²	38.4	63%	0.632	20%	0.202	S	C	*	.	S	Bend	trans	-128.2	107.5	175.8	-60.2	0	0	0	0	108.4	H498	T168-H498 PolarHBondContact O-CD2 3.35Å
169	P	87.5	Confident	82.5	Confident	21 Å²	21	40.5 Å²	40.5	14%	0.136	22%	0.215	C	C	.	.	S	Bend	cis	-68.9	170.6	-6.3	34.2	-37.6	0	0	0	112.5	A167 H171 T497 P554	A167-P169 CarbonylContact C-O 3.59Å; A167-P169 WeakPolarHBondContact CB-O 3.42Å; A167-P169 CarbonylContact O-C 3.51Å; P169-H171 VanDerWaalsContact C-N 3.29Å; P169-H171 PolarHBondContact O-N 3.32Å; P169-T497 WeakPolarHBondContact CD-O 3.41Å; P169-T497 HydrophobicContact CG-CG2 3.43Å; P169-T497 VanDerWaalsContact CG-CG2 3.43Å; P169-P554 HydrophobicContact CG-CG 4.14Å
170	A	91.5	Very high	81.7	Confident	18 Å²	18	43.8 Å²	43.8	15%	0.149	24%	0.238	C	C	.	.	S	Bend	trans	-78.1	-6.2	-175.2	0	0	0	0	0	115	Y163 D164 A167	Y163-A170 CarbonylContact C-O 3.47Å; Y163-A170 WeakPolarHBondContact CA-O 3.37Å; Y163-A170 HydrophobicContact CD2-CB 4.09Å; Y163-A170 HydrophobicContact CE1-CB 4.34Å; Y163-A170 HydrophobicContact CE2-CB 3.49Å; Y163-A170 VanDerWaalsContact CE2-CB 3.49Å; D164-A170 PolarHBondContact N-O 3.36Å; D164-A170 VanDerWaalsContact O-CA 3.29Å; D164-A170 WeakPolarHBondContact O-CA 3.44Å; D164-A170 WeakPolarHBondContact O-CB 3.26Å; A167-A170 PolarHBondContact O-N 3.13Å
171	H	90.7	Very high	81	Confident	23 Å²	23	44 Å²	44	11%	0.106	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	111.5	177.9	-54.6	120.2	0	0	0	110.2	F161 Y163 P169 F173 M330 S555	F161-H171 HydrophobicContact CD2-CB 4.26Å; F161-H171 AromaticContact CE2-CD2 3.64Å; Y163-H171 AromaticContact CD2-CD2 3.81Å; Y163-H171 AromaticContact CE2-NE2 3.99Å; P169-H171 VanDerWaalsContact C-N 3.29Å; P169-H171 PolarHBondContact O-N 3.32Å; H171-F173 HydrophobicContact CB-CE2 4.23Å; H171-F173 HydrophobicContact CB-CZ 4.23Å; H171-M330 WeakPolarHBondContact NE2-CE 3.21Å; H171-S555 PolarHBondContact ND1-OG 2.87Å
172	V	91	Very high	80.8	Confident	23 Å²	23	44.8 Å²	44.8	14%	0.139	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105.2	-177.7	-167.9	0	0	0	0	110	F161 Y162 A167	F161-V172 CarbonylContact C-O 3.55Å; F161-V172 WeakPolarHBondContact CA-O 3.49Å; F161-V172 WeakPolarHBondContact CB-O 3.44Å; Y162-V172 HydrophobicContact CD1-CB 4.11Å; Y162-V172 HydrophobicContact CD1-CG1 4.44Å; Y162-V172 WeakPolarHBondContact CD1-O 3.32Å; Y162-V172 HydrophobicContact CD2-CB 4.27Å; Y162-V172 HydrophobicContact CE1-CB 3.72Å; Y162-V172 HydrophobicContact CE1-CG1 3.64Å; Y162-V172 HydrophobicContact CE2-CB 3.88Å; Y162-V172 HydrophobicContact CE2-CG1 4.33Å; Y162-V172 HydrophobicContact CE2-CG2 4.07Å; Y162-V172 HydrophobicContact CG-CB 4.38Å; Y162-V172 PolarHBondContact N-O 3.14Å; Y162-V172 PolarHBondContact O-N 3.34Å; A167-V172 HydrophobicContact CB-CG2 3.75Å
173	F	88.2	Confident	80.8	Confident	22 Å²	22	45.2 Å²	45.2	10%	0.096	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	159.8	-174.5	-63.7	-79.3	0	0	0	113.8	D158 F161 H171 R351 S555 G558 V559	D158-F173 HydrophobicContact CB-CD1 4.5Å; D158-F173 WeakPolarHBondContact O-CD1 3.25Å; D158-F173 WeakPolarHBondContact O-CE1 3.21Å; F161-F173 HydrophobicContact CB-CD1 3.6Å; F161-F173 HydrophobicContact CB-CE1 3.86Å; F161-F173 HydrophobicContact CB-CG 4.16Å; F161-F173 HydrophobicContact CD1-CD1 4.31Å; F161-F173 AromaticContact CD1-CE1 3.87Å; F161-F173 HydrophobicContact CD1-CE1 3.87Å; F161-F173 HydrophobicContact CG-CD1 4.3Å; F161-F173 HydrophobicContact CG-CE1 4.07Å; H171-F173 HydrophobicContact CB-CE2 4.23Å; H171-F173 HydrophobicContact CB-CZ 4.23Å; F173-R351 HydrophobicContact CE1-CG 4.09Å; F173-S555 WeakPolarHBondContact CZ-O 3.4Å; F173-G558 WeakPolarHBondContact CE2-O 3.47Å; F173-V559 HydrophobicContact CB-CG2 3.56Å; F173-V559 HydrophobicContact CD2-CG2 3.93Å; F173-V559 HydrophobicContact CG-CG2 3.94Å
174	V	83.9	Confident	80.9	Confident	41 Å²	41	43.8 Å²	43.8	25%	0.248	25%	0.247	C	C	.	.			trans	-122.1	90	-178.2	-175.3	0	0	0	0	109	L160 Y162 N176 L348	L160-V174 HydrophobicContact CD2-CB 4.44Å; L160-V174 HydrophobicContact CG-CB 4.48Å; L160-V174 PolarHBondContact O-N 3.32Å; Y162-V174 HydrophobicContact CD1-CG2 4.31Å; V174-N176 PolarHBondContact O-N 2.98Å; V174-L348 HydrophobicContact CG2-CD2 4.22Å
175	P	65.7	Low	81.1	Confident	34 Å²	34	42 Å²	42	22%	0.221	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-7	-168.5	23.3	-32.6	0	0	0	115.4	R769	P175-R769 PolarHBondContact O-NH1 3.21Å
176	N	61	Low	81.4	Confident	48 Å²	48	37 Å²	37	26%	0.257	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7.9	-170.1	-50.1	-3.7	0	0	0	113	V174 L178 V179 A487	V174-N176 PolarHBondContact O-N 2.98Å; N176-L178 VanDerWaalsContact C-N 3.26Å; N176-L178 PolarHBondContact O-N 3.07Å; N176-V179 WeakPolarHBondContact O-CG2 3.33Å; N176-V179 PolarHBondContact O-N 3.06Å; N176-A487 WeakPolarHBondContact CB-O 3.37Å; N176-A487 VanDerWaalsContact CG-O 3.31Å; N176-A487 PolarHBondContact ND2-O 2.74Å
177	C	56.5	Low	81.7	Confident	6 Å²	6	29.7 Å²	29.7	4%	0.041	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.5	-170.7	64	0	0	0	0	114.4	L153 L160 V179 T181	L153-C177 HydrophobicContact CD2-CB 4.39Å; L153-C177 CarbonylContact O-C 3.5Å; L160-C177 HydrophobicContact CB-CB 4.19Å; L160-C177 HydrophobicContact CD2-CB 4.15Å; C177-V179 PolarHBondContact O-N 2.68Å; C177-V179 VanDerWaalsContact O-N 3.15Å; C177-T181 HydrophobicContact CB-CG2 4.39Å
178	L	54.8	Low	82	Confident	30 Å²	30	29.7 Å²	29.7	16%	0.157	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.2	-179.4	-61.3	178.7	0	0	0	114.4	R154 N176 M479 R769 L770	R154-L178 VanDerWaalsContact C-CD2 3.47Å; R154-L178 VanDerWaalsContact O-CD2 3.28Å; R154-L178 WeakPolarHBondContact O-CD2 3.46Å; N176-L178 VanDerWaalsContact C-N 3.26Å; N176-L178 PolarHBondContact O-N 3.07Å; L178-M479 HydrophobicContact CB-CE 3.91Å; L178-R769 HydrophobicContact CD1-CB 3.76Å; L178-R769 HydrophobicContact CD1-CG 4.42Å; L178-L770 HydrophobicContact CD1-CD2 4.22Å
179	V	58.2	Low	82.5	Confident	54 Å²	54	24.8 Å²	24.8	33%	0.327	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-60.2	-166.8	-172.7	0	0	0	0	112.2	N176 C177 M479 P486 A487	N176-V179 WeakPolarHBondContact O-CG2 3.33Å; N176-V179 PolarHBondContact O-N 3.06Å; C177-V179 PolarHBondContact O-N 2.68Å; C177-V179 VanDerWaalsContact O-N 3.15Å; V179-M479 HydrophobicContact CG2-CE 3.61Å; V179-M479 HydrophobicContact CG2-SD 3.92Å; V179-P486 HydrophobicContact CG1-CB 4.26Å; V179-P486 WeakPolarHBondContact CG2-O 3.1Å; V179-A487 HydrophobicContact CG1-CB 4.2Å
180	S	67	Low	82.7	Confident	68 Å²	68	24.9 Å²	24.9	48%	0.476	15%	0.154	S	C	.	.			trans	-171.8	111.8	164.9	-175.6	0	0	0	0	111.3	R315	S180-R315 PolarHBondContact O-NH1 2.85Å
181	T	75.4	Confident	82.7	Confident	13 Å²	13	26.2 Å²	26.2	8%	0.08	16%	0.162	C	C	.	.			trans	-82.1	-16.8	177	49.9	0	0	0	0	113.9	L153 C177 F184 R315	L153-T181 HydrophobicContact CB-CG2 4.41Å; L153-T181 HydrophobicContact CD1-CG2 4.11Å; L153-T181 HydrophobicContact CD2-CG2 4.18Å; L153-T181 HydrophobicContact CG-CG2 4.48Å; C177-T181 HydrophobicContact CB-CG2 4.39Å; T181-F184 WeakPolarHBondContact O-CD1 3.3Å; T181-R315 VanDerWaalsContact O-CD 3.3Å; T181-R315 WeakPolarHBondContact O-CD 3.33Å; T181-R315 PolarHBondContact O-NH1 3.22Å
182	F	87.8	Confident	82.8	Confident	27 Å²	27	26.6 Å²	26.6	12%	0.118	17%	0.172	C	C	.	.			trans	-75.4	151.7	-176.4	-52.2	-78.7	0	0	0	113.8	V150 F184 V198 E199 P201 R315	V150-F182 HydrophobicContact CB-CZ 4.41Å; V150-F182 HydrophobicContact CG1-CZ 3.86Å; V150-F182 HydrophobicContact CG2-CE1 3.75Å; V150-F182 HydrophobicContact CG2-CZ 3.62Å; F182-F184 HydrophobicContact CD1-CD1 4Å; F182-F184 AromaticContact CD1-CE1 3.61Å; F182-F184 HydrophobicContact CD1-CE1 3.61Å; F182-F184 HydrophobicContact CE1-CD1 4.48Å; F182-F184 AromaticContact CE1-CE1 3.64Å; F182-F184 HydrophobicContact CE1-CE1 3.64Å; F182-F184 HydrophobicContact CE1-CZ 4.37Å; F182-F184 HydrophobicContact CG-CE1 4.43Å; F182-F184 HydrophobicContact CZ-CE1 4.47Å; F182-V198 HydrophobicContact CD1-CG1 4.05Å; F182-V198 HydrophobicContact CE1-CG1 3.72Å; F182-E199 WeakPolarHBondContact CB-O 3.42Å; F182-P201 HydrophobicContact CE2-CG 4.16Å; F182-P201 HydrophobicContact CZ-CG 3.85Å; F182-R315 PolarHBondContact O-NH1 2.73Å
183	P	93	Very high	83.1	Confident	67 Å²	67	25.6 Å²	25.6	44%	0.435	17%	0.166	S	C	.	.	S	Bend	cis	-76.6	153.4	-15.6	34.4	-34.9	0	0	0	111.1	V198 L313	P183-V198 VanDerWaalsContact CA-O 3.26Å; P183-V198 WeakPolarHBondContact CA-O 3.17Å; P183-L313 HydrophobicContact CB-CD2 3.85Å; P183-L313 HydrophobicContact CG-CD2 4.07Å
184	F	94.5	Very high	83.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.2	175.8	60.9	-90	0	0	0	112.5	V150 L153 T181 F182 L186 V198 R315 I317	V150-F184 HydrophobicContact CG2-CZ 4.3Å; L153-F184 HydrophobicContact CD1-CE1 4.41Å; L153-F184 HydrophobicContact CD1-CZ 4.1Å; T181-F184 WeakPolarHBondContact O-CD1 3.3Å; F182-F184 HydrophobicContact CD1-CD1 4Å; F182-F184 AromaticContact CD1-CE1 3.61Å; F182-F184 HydrophobicContact CD1-CE1 3.61Å; F182-F184 HydrophobicContact CE1-CD1 4.48Å; F182-F184 AromaticContact CE1-CE1 3.64Å; F182-F184 HydrophobicContact CE1-CE1 3.64Å; F182-F184 HydrophobicContact CE1-CZ 4.37Å; F182-F184 HydrophobicContact CG-CE1 4.43Å; F182-F184 HydrophobicContact CZ-CE1 4.47Å; F184-L186 HydrophobicContact CD2-CB 4.2Å; F184-L186 HydrophobicContact CE2-CB 3.98Å; F184-V198 HydrophobicContact CD1-CB 4.33Å; F184-V198 HydrophobicContact CD2-CB 4.2Å; F184-V198 HydrophobicContact CD2-CG2 4.24Å; F184-V198 HydrophobicContact CE1-CB 4.07Å; F184-V198 HydrophobicContact CE1-CG1 4.07Å; F184-V198 HydrophobicContact CE2-CB 3.93Å; F184-V198 HydrophobicContact CE2-CG1 4.41Å; F184-V198 HydrophobicContact CE2-CG2 3.82Å; F184-V198 HydrophobicContact CG-CB 4.4Å; F184-V198 HydrophobicContact CZ-CB 3.86Å; F184-V198 HydrophobicContact CZ-CG1 3.88Å; F184-V198 HydrophobicContact CZ-CG2 4.14Å; F184-V198 PolarHBondContact N-O 3.32Å; F184-V198 PolarHBondContact O-N 3.05Å; F184-R315 HydrophobicContact CB-CB 3.89Å; F184-I317 HydrophobicContact CB-CD1 4.27Å; F184-I317 HydrophobicContact CB-CG1 4.42Å; F184-I317 HydrophobicContact CD1-CD1 4.44Å; F184-I317 HydrophobicContact CD2-CB 4.33Å; F184-I317 HydrophobicContact CD2-CD1 3.69Å; F184-I317 HydrophobicContact CD2-CG1 4.08Å; F184-I317 HydrophobicContact CE2-CD1 4.02Å; F184-I317 HydrophobicContact CG-CD1 3.92Å; F184-I317 HydrophobicContact CG-CG1 4.44Å
185	L	97.7	Very high	84.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116	167.2	-169.1	73.9	0	0	0	108.6	V187 F195 L196 V207 A304 A308 L313 R315 I316 I317	L185-V187 HydrophobicContact CD2-CG2 4.01Å; L185-V187 HydrophobicContact CG-CG2 4.14Å; L185-F195 HydrophobicContact CD1-CB 4.36Å; L185-F195 HydrophobicContact CD2-CD1 4.34Å; L185-L196 CarbonylContact C-O 3.59Å; L185-L196 WeakPolarHBondContact CA-O 3.35Å; L185-V207 HydrophobicContact CD1-CG2 3.89Å; L185-A304 WeakPolarHBondContact CD2-O 3.46Å; L185-A308 HydrophobicContact CD2-CB 4.26Å; L185-L313 HydrophobicContact CB-CD1 3.8Å; L185-L313 HydrophobicContact CD1-CD1 3.94Å; L185-L313 HydrophobicContact CG-CD1 4.47Å; L185-R315 PolarHBondContact N-O 3.26Å; L185-I316 HydrophobicContact CD2-CG2 4.36Å; L185-I317 PolarHBondContact O-N 2.79Å
186	L	97.6	Very high	85.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.6	170.1	-175.4	56.5	0	0	0	109.5	L145 V146 C149 F184 L196 V198 I317	L145-L186 HydrophobicContact CD1-CD2 4.07Å; L145-L186 HydrophobicContact CD2-CD2 4.2Å; L145-L186 HydrophobicContact CG-CD2 3.79Å; V146-L186 HydrophobicContact CG2-CD2 4.42Å; C149-L186 HydrophobicContact CB-CD2 3.85Å; F184-L186 HydrophobicContact CD2-CB 4.2Å; F184-L186 HydrophobicContact CE2-CB 3.98Å; L186-L196 HydrophobicContact CB-CB 4.36Å; L186-L196 PolarHBondContact N-O 2.91Å; L186-L196 PolarHBondContact O-N 2.88Å; L186-V198 HydrophobicContact CB-CG2 3.99Å; L186-I317 CarbonylContact C-O 3.25Å; L186-I317 WeakPolarHBondContact CA-O 3.34Å; L186-I317 HydrophobicContact CD1-CB 4.39Å; L186-I317 HydrophobicContact CD1-CG2 4.27Å
187	V	98.2	Very high	87.6	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	94.7	-179.3	-171.1	0	0	0	0	108.5	L185 V189 V193 F195 I300 A304 I316 I317 F318 G319	L185-V187 HydrophobicContact CD2-CG2 4.01Å; L185-V187 HydrophobicContact CG-CG2 4.14Å; V187-V189 HydrophobicContact CG1-CG2 4.15Å; V187-V189 PolarHBondContact O-N 2.86Å; V187-V193 HydrophobicContact CG1-CG1 3.74Å; V187-F195 HydrophobicContact CB-CD1 4.29Å; V187-F195 HydrophobicContact CB-CE1 4.46Å; V187-F195 HydrophobicContact CG1-CD1 3.73Å; V187-F195 HydrophobicContact CG1-CE1 3.5Å; V187-F195 VanDerWaalsContact CG1-CE1 3.5Å; V187-F195 HydrophobicContact CG1-CZ 4.3Å; V187-F195 HydrophobicContact CG2-CD1 3.8Å; V187-F195 HydrophobicContact CG2-CE1 4.17Å; V187-I300 HydrophobicContact CG1-CG2 4.2Å; V187-A304 HydrophobicContact CG2-CB 4.03Å; V187-I316 HydrophobicContact CG2-CG2 3.78Å; V187-I317 PolarHBondContact N-O 2.72Å; V187-F318 HydrophobicContact CB-CD1 3.61Å; V187-F318 HydrophobicContact CB-CE1 3.87Å; V187-F318 HydrophobicContact CB-CG 4.28Å; V187-F318 HydrophobicContact CG1-CD1 3.72Å; V187-F318 HydrophobicContact CG1-CE1 3.76Å; V187-F318 HydrophobicContact CG2-CD1 4.17Å; V187-F318 HydrophobicContact CG2-CE1 4.01Å; V187-F318 HydrophobicContact CG2-CZ 4.45Å; V187-G319 PolarHBondContact O-N 3.16Å
188	N	96.7	Very high	89.5	Confident	25 Å²	25	21.2 Å²	21.2	13%	0.134	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	108.6	179	177.2	22.6	0	0	0	110.1	L145 V193 S194 G320	L145-N188 HydrophobicContact CD1-CB 4.03Å; L145-N188 HydrophobicContact CD2-CB 3.62Å; L145-N188 HydrophobicContact CG-CB 4.48Å; N188-V193 WeakPolarHBondContact O-CA 3.33Å; N188-S194 PolarHBondContact N-O 3.01Å; N188-S194 PolarHBondContact O-N 2.88Å; N188-S194 VanDerWaalsContact O-N 3.15Å; N188-G320 WeakPolarHBondContact OD1-CA 3.44Å
189	V	95.6	Very high	91.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	85.5	-179.8	-164.7	0	0	0	0	109.7	V187 V193 I300 F318 G319 G320 Y321 F322 I323	V187-V189 HydrophobicContact CG1-CG2 4.15Å; V187-V189 PolarHBondContact O-N 2.86Å; V189-V193 HydrophobicContact CB-CG2 4.45Å; V189-V193 HydrophobicContact CG1-CG2 3.89Å; V189-V193 HydrophobicContact CG2-CG1 4.27Å; V189-I300 HydrophobicContact CG1-CD1 3.73Å; V189-I300 HydrophobicContact CG2-CG2 4.02Å; V189-F318 HydrophobicContact CG2-CD1 4.45Å; V189-G319 PolarHBondContact N-O 2.76Å; V189-G320 CarbonylContact O-C 3.57Å; V189-G320 VanDerWaalsContact O-C 3.25Å; V189-G320 WeakPolarHBondContact O-CA 3.46Å; V189-Y321 PolarHBondContact O-N 3.32Å; V189-F322 HydrophobicContact CB-CB 4.16Å; V189-F322 HydrophobicContact CB-CD1 4.44Å; V189-F322 HydrophobicContact CG1-CB 3.61Å; V189-F322 HydrophobicContact CG1-CD1 3.49Å; V189-F322 VanDerWaalsContact CG1-CD1 3.49Å; V189-F322 HydrophobicContact CG1-CE1 4.41Å; V189-F322 HydrophobicContact CG1-CG 3.82Å; V189-F322 VanDerWaalsContact O-CB 3.32Å; V189-F322 WeakPolarHBondContact O-CB 3.21Å; V189-F322 PolarHBondContact O-N 3.18Å; V189-I323 HydrophobicContact CG2-CD1 4.35Å
190	G	92	Very high	92.9	Very high	24 Å²	24	23 Å²	23	25%	0.247	15%	0.147	C	C	.	.	S	Bend	trans	-98.7	-141.4	172.5	0	0	0	0	0	111.8	G192 G214	G190-G192 VanDerWaalsContact C-N 3.26Å; G190-G192 CarbonylContact C-O 3.33Å; G190-G192 VanDerWaalsContact C-O 3.25Å; G190-G192 WeakPolarHBondContact CA-O 3.38Å; G190-G192 PolarHBondContact N-O 3.36Å; G190-G192 PolarHBondContact O-N 3.26Å; G190-G214 WeakPolarHBondContact O-CA 3.32Å; G190-G214 PolarHBondContact O-N 3.35Å
191	S	90.6	Very high	93.6	Very high	45 Å²	45	21.8 Å²	21.8	32%	0.315	14%	0.137	S	C	.	.	S	Bend	trans	-60.3	-38.7	173.3	-48.2	0	0	0	0	111.5	S33 G215	S33-S191 PolarHBondContact OG-OG 2.93Å; S191-G215 VanDerWaalsContact O-CA 3.31Å; S191-G215 WeakPolarHBondContact O-CA 3.01Å; S191-G215 PolarHBondContact O-N 2.87Å
192	G	93.8	Very high	94.2	Very high	31 Å²	31	26.5 Å²	26.5	32%	0.32	17%	0.166	S	C	.	.	S	Bend	trans	-122.2	-170.8	159.1	0	0	0	0	0	109.8	G190	G190-G192 VanDerWaalsContact C-N 3.26Å; G190-G192 CarbonylContact C-O 3.33Å; G190-G192 VanDerWaalsContact C-O 3.25Å; G190-G192 WeakPolarHBondContact CA-O 3.38Å; G190-G192 PolarHBondContact N-O 3.36Å; G190-G192 PolarHBondContact O-N 3.26Å
193	V	97.3	Very high	94.5	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.7	-174.3	-170.3	0	0	0	0	112.2	V187 N188 V189 F195 G209 T210 I212 I300	V187-V193 HydrophobicContact CG1-CG1 3.74Å; N188-V193 WeakPolarHBondContact O-CA 3.33Å; V189-V193 HydrophobicContact CB-CG2 4.45Å; V189-V193 HydrophobicContact CG1-CG2 3.89Å; V189-V193 HydrophobicContact CG2-CG1 4.27Å; V193-F195 HydrophobicContact CG1-CE1 4.32Å; V193-F195 HydrophobicContact CG1-CE2 4.04Å; V193-F195 HydrophobicContact CG1-CZ 3.86Å; V193-G209 CarbonylContact O-C 3.59Å; V193-G209 WeakPolarHBondContact O-CA 3.28Å; V193-T210 HydrophobicContact CB-CG2 3.77Å; V193-T210 HydrophobicContact CG2-CG2 4.03Å; V193-T210 PolarHBondContact N-O 3.21Å; V193-T210 PolarHBondContact O-N 3.31Å; V193-I212 WeakPolarHBondContact CG2-O 3.26Å; V193-I300 HydrophobicContact CG2-CD1 3.93Å; V193-I300 HydrophobicContact CG2-CG1 4Å
194	S	97.5	Very high	94.7	Very high	16 Å²	16	27.6 Å²	27.6	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.5	169.8	-68.3	0	0	0	0	111	N188 R206	N188-S194 PolarHBondContact N-O 3.01Å; N188-S194 PolarHBondContact O-N 2.88Å; N188-S194 VanDerWaalsContact O-N 3.15Å; S194-R206 PolarHBondContact OG-NE 3.19Å; S194-R206 PolarHBondContact OG-NH2 2.87Å
195	F	98.5	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.5	176.9	-55.8	-92	0	0	0	108.5	L185 V187 V193 R206 V207 G208 T210 L303 A304 Y307	L185-F195 HydrophobicContact CD1-CB 4.36Å; L185-F195 HydrophobicContact CD2-CD1 4.34Å; V187-F195 HydrophobicContact CB-CD1 4.29Å; V187-F195 HydrophobicContact CB-CE1 4.46Å; V187-F195 HydrophobicContact CG1-CD1 3.73Å; V187-F195 HydrophobicContact CG1-CE1 3.5Å; V187-F195 VanDerWaalsContact CG1-CE1 3.5Å; V187-F195 HydrophobicContact CG1-CZ 4.3Å; V187-F195 HydrophobicContact CG2-CD1 3.8Å; V187-F195 HydrophobicContact CG2-CE1 4.17Å; V193-F195 HydrophobicContact CG1-CE1 4.32Å; V193-F195 HydrophobicContact CG1-CE2 4.04Å; V193-F195 HydrophobicContact CG1-CZ 3.86Å; F195-R206 CarbonylContact O-C 3.59Å; F195-R206 WeakPolarHBondContact O-CA 3.19Å; F195-V207 HydrophobicContact CB-CG2 3.91Å; F195-V207 WeakPolarHBondContact O-CG2 3.24Å; F195-V207 PolarHBondContact O-N 3.22Å; F195-G208 PolarHBondContact N-O 2.9Å; F195-G208 PolarHBondContact O-N 3.14Å; F195-T210 HydrophobicContact CE2-CG2 4.25Å; F195-T210 HydrophobicContact CZ-CG2 4.47Å; F195-L303 HydrophobicContact CE1-CB 4.09Å; F195-L303 HydrophobicContact CE2-CB 4.11Å; F195-L303 HydrophobicContact CE2-CD1 4.43Å; F195-L303 HydrophobicContact CZ-CB 3.52Å; F195-L303 HydrophobicContact CZ-CD1 4.31Å; F195-A304 HydrophobicContact CD1-CB 4.44Å; F195-A304 HydrophobicContact CE1-CB 3.94Å; F195-Y307 HydrophobicContact CB-CD2 3.89Å; F195-Y307 HydrophobicContact CB-CE2 4.32Å; F195-Y307 HydrophobicContact CB-CG 4.27Å; F195-Y307 AromaticContact CD1-CD2 3.78Å; F195-Y307 HydrophobicContact CD1-CD2 3.78Å; F195-Y307 HydrophobicContact CD1-CE2 4.42Å; F195-Y307 AromaticContact CD2-CD2 3.61Å; F195-Y307 HydrophobicContact CD2-CD2 3.61Å; F195-Y307 AromaticContact CD2-CE2 3.42Å; F195-Y307 HydrophobicContact CD2-CE2 3.42Å; F195-Y307 VanDerWaalsContact CD2-CE2 3.42Å; F195-Y307 HydrophobicContact CE1-CD2 4.23Å; F195-Y307 HydrophobicContact CE2-CD2 4.08Å; F195-Y307 AromaticContact CE2-CE2 3.78Å; F195-Y307 HydrophobicContact CE2-CE2 3.78Å; F195-Y307 AromaticContact CG-CD2 3.48Å; F195-Y307 HydrophobicContact CG-CD2 3.48Å; F195-Y307 VanDerWaalsContact CG-CD2 3.48Å; F195-Y307 AromaticContact CG-CE2 3.82Å; F195-Y307 HydrophobicContact CG-CE2 3.82Å; F195-Y307 HydrophobicContact CG-CG 4.31Å; F195-Y307 HydrophobicContact CZ-CD2 4.38Å; F195-Y307 HydrophobicContact CZ-CE2 4.42Å
196	L	98.4	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.9	-178.3	-55.1	85.8	0	0	0	110.2	M142 L145 V146 L185 L186 V198 Y204 Q205	M142-L196 HydrophobicContact CB-CD2 3.95Å; M142-L196 HydrophobicContact CG-CD2 4.37Å; M142-L196 HydrophobicContact SD-CD1 4.18Å; M142-L196 HydrophobicContact SD-CD2 3.89Å; M142-L196 HydrophobicContact SD-CG 4.34Å; L145-L196 HydrophobicContact CD2-CD1 3.69Å; L145-L196 HydrophobicContact CD2-CD2 4.09Å; V146-L196 HydrophobicContact CG2-CD2 3.84Å; L185-L196 CarbonylContact C-O 3.59Å; L185-L196 WeakPolarHBondContact CA-O 3.35Å; L186-L196 HydrophobicContact CB-CB 4.36Å; L186-L196 PolarHBondContact N-O 2.91Å; L186-L196 PolarHBondContact O-N 2.88Å; L196-V198 HydrophobicContact CB-CG2 4.34Å; L196-V198 PolarHBondContact O-N 2.69Å; L196-Y204 HydrophobicContact CD2-CD2 4.03Å; L196-Y204 HydrophobicContact CD2-CE2 4.42Å; L196-Q205 CarbonylContact C-O 3.51Å; L196-Q205 VanDerWaalsContact CA-O 3.28Å; L196-Q205 WeakPolarHBondContact CA-O 3.35Å
197	K	98.1	Very high	94.9	Very high	43 Å²	43	40.5 Å²	40.5	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.8	162.2	178.6	-174.5	-168.5	-154.8	0	107.2	E199 Y204 Q205 V207 H311 L313	K197-E199 HydrophobicContact CD-CG 4.26Å; K197-E199 VanDerWaalsContact CE-OE1 3.26Å; K197-E199 WeakPolarHBondContact CE-OE1 3.48Å; K197-E199 HydrophobicContact CG-CG 4.16Å; K197-E199 IonicContact NZ-OE1 3.28Å; K197-E199 PolarHBondContact NZ-OE1 3.32Å; K197-Y204 CarbonylContact O-C 3.56Å; K197-Y204 WeakPolarHBondContact O-CA 3.11Å; K197-Y204 WeakPolarHBondContact O-CB 3.45Å; K197-Q205 PolarHBondContact N-O 3.29Å; K197-Q205 PolarHBondContact O-N 2.86Å; K197-V207 HydrophobicContact CB-CG1 3.76Å; K197-H311 HydrophobicContact CD-CB 4.45Å; K197-L313 HydrophobicContact CB-CD1 4.26Å; K197-L313 HydrophobicContact CG-CD1 4.02Å; K197-L313 HydrophobicContact CG-CD2 4.36Å
198	V	96.1	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.8	176.7	-168.3	0	0	0	0	108.7	V146 F182 P183 F184 L186 L196	V146-V198 HydrophobicContact CG1-CG1 3.8Å; V146-V198 HydrophobicContact CG2-CG2 4.05Å; F182-V198 HydrophobicContact CD1-CG1 4.05Å; F182-V198 HydrophobicContact CE1-CG1 3.72Å; P183-V198 VanDerWaalsContact CA-O 3.26Å; P183-V198 WeakPolarHBondContact CA-O 3.17Å; F184-V198 HydrophobicContact CD1-CB 4.33Å; F184-V198 HydrophobicContact CD2-CB 4.2Å; F184-V198 HydrophobicContact CD2-CG2 4.24Å; F184-V198 HydrophobicContact CE1-CB 4.07Å; F184-V198 HydrophobicContact CE1-CG1 4.07Å; F184-V198 HydrophobicContact CE2-CB 3.93Å; F184-V198 HydrophobicContact CE2-CG1 4.41Å; F184-V198 HydrophobicContact CE2-CG2 3.82Å; F184-V198 HydrophobicContact CG-CB 4.4Å; F184-V198 HydrophobicContact CZ-CB 3.86Å; F184-V198 HydrophobicContact CZ-CG1 3.88Å; F184-V198 HydrophobicContact CZ-CG2 4.14Å; F184-V198 PolarHBondContact N-O 3.32Å; F184-V198 PolarHBondContact O-N 3.05Å; L186-V198 HydrophobicContact CB-CG2 3.99Å; L196-V198 HydrophobicContact CB-CG2 4.34Å; L196-V198 PolarHBondContact O-N 2.69Å
199	E	94	Very high	94.9	Very high	90 Å²	90	41.1 Å²	41.1	42%	0.421	24%	0.238	S	C	.	.			trans	-110.2	-28.7	-174.9	-58	177.8	139.8	0	0	112.3	F182 K197 S203	F182-E199 WeakPolarHBondContact CB-O 3.42Å; K197-E199 HydrophobicContact CD-CG 4.26Å; K197-E199 VanDerWaalsContact CE-OE1 3.26Å; K197-E199 WeakPolarHBondContact CE-OE1 3.48Å; K197-E199 HydrophobicContact CG-CG 4.16Å; K197-E199 IonicContact NZ-OE1 3.28Å; K197-E199 PolarHBondContact NZ-OE1 3.32Å; E199-S203 PolarHBondContact N-O 3.36Å; E199-S203 PolarHBondContact OE2-OG 2.72Å
200	S	90.3	Very high	95	Very high	31 Å²	31	42.4 Å²	42.4	22%	0.217	25%	0.246	C	C	.	.	S	Bend	trans	-154.5	176.8	175.1	89.5	0	0	0	0	110.2	T202 S203	S200-T202 PolarHBondContact O-N 3.26Å; S200-T202 PolarHBondContact OG-N 3.09Å; S200-T202 VanDerWaalsContact OG-N 3.08Å; S200-T202 PolarHBondContact OG-OG1 2.92Å; S200-S203 PolarHBondContact N-O 2.89Å; S200-S203 VanDerWaalsContact N-O 3.11Å; S200-S203 PolarHBondContact OG-N 2.97Å
201	P	83.2	Confident	95.2	Very high	42 Å²	42	46.3 Å²	46.3	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-59	-13.3	171.8	-23	34.4	0	0	0	115	V150 F182	V150-P201 HydrophobicContact CG1-CB 3.97Å; V150-P201 HydrophobicContact CG1-CG 3.99Å; F182-P201 HydrophobicContact CE2-CG 4.16Å; F182-P201 HydrophobicContact CZ-CG 3.85Å
202	T	86.9	Confident	95.5	Very high	113 Å²	113	47.1 Å²	47.1	69%	0.693	27%	0.269	S	S	*	.	S	Bend	trans	-132.3	-7.7	-176.1	51.5	0	0	0	0	114.1	S200	S200-T202 PolarHBondContact O-N 3.26Å; S200-T202 PolarHBondContact OG-N 3.09Å; S200-T202 VanDerWaalsContact OG-N 3.08Å; S200-T202 PolarHBondContact OG-OG1 2.92Å
203	S	94.5	Very high	95.5	Very high	48 Å²	48	45.6 Å²	45.6	34%	0.336	25%	0.254	S	S	.	.			trans	-114.7	114.7	175	-169	0	0	0	0	110.4	E199 S200	E199-S203 PolarHBondContact N-O 3.36Å; E199-S203 PolarHBondContact OE2-OG 2.72Å; S200-S203 PolarHBondContact N-O 2.89Å; S200-S203 VanDerWaalsContact N-O 3.11Å; S200-S203 PolarHBondContact OG-N 2.97Å
204	Y	96.8	Very high	95.3	Very high	68 Å²	68	45.7 Å²	45.7	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.4	174.1	67.8	-88.6	0	0	0	110.6	M142 D143 V146 L196 K197	M142-Y204 HydrophobicContact CB-CE2 3.91Å; D143-Y204 VanDerWaalsContact CA-OH 3.25Å; D143-Y204 WeakPolarHBondContact CA-OH 3.39Å; D143-Y204 HydrophobicContact CB-CE1 4.4Å; D143-Y204 VanDerWaalsContact CB-OH 3.25Å; D143-Y204 WeakPolarHBondContact CB-OH 3.46Å; D143-Y204 PolarHBondContact N-OH 2.98Å; V146-Y204 HydrophobicContact CB-CD1 4.17Å; V146-Y204 HydrophobicContact CB-CG 4.41Å; V146-Y204 HydrophobicContact CG1-CD1 4Å; V146-Y204 HydrophobicContact CG1-CG 4.36Å; V146-Y204 HydrophobicContact CG2-CD1 4.07Å; V146-Y204 HydrophobicContact CG2-CD2 4.05Å; V146-Y204 HydrophobicContact CG2-CG 3.8Å; L196-Y204 HydrophobicContact CD2-CD2 4.03Å; L196-Y204 HydrophobicContact CD2-CE2 4.42Å; K197-Y204 CarbonylContact O-C 3.56Å; K197-Y204 WeakPolarHBondContact O-CA 3.11Å; K197-Y204 WeakPolarHBondContact O-CB 3.45Å
205	Q	97.8	Very high	95.1	Very high	117 Å²	117	46.2 Å²	46.2	55%	0.547	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.9	176.1	-175.2	-176.6	15.8	0	0	109.7	L196 K197 V207	L196-Q205 CarbonylContact C-O 3.51Å; L196-Q205 VanDerWaalsContact CA-O 3.28Å; L196-Q205 WeakPolarHBondContact CA-O 3.35Å; K197-Q205 PolarHBondContact N-O 3.29Å; K197-Q205 PolarHBondContact O-N 2.86Å; Q205-V207 HydrophobicContact CG-CG1 4.4Å; Q205-V207 PolarHBondContact O-N 3.17Å
206	R	97.7	Very high	95	Very high	128 Å²	128	48 Å²	48	48%	0.483	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	98.5	167.4	-173.7	179	-178.4	-83.5	0.5	109.1	S194 F195 G208	S194-R206 PolarHBondContact OG-NE 3.19Å; S194-R206 PolarHBondContact OG-NH2 2.87Å; F195-R206 CarbonylContact O-C 3.59Å; F195-R206 WeakPolarHBondContact O-CA 3.19Å; R206-G208 VanDerWaalsContact C-N 3.34Å; R206-G208 VanDerWaalsContact CZ-O 3.26Å; R206-G208 PolarHBondContact NH2-O 3.45Å
207	V	98.2	Very high	94.9	Very high	26 Å²	26	48 Å²	48	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-19.2	-177.1	-63.9	0	0	0	0	113.1	L185 F195 K197 Q205 Y307 H311	L185-V207 HydrophobicContact CD1-CG2 3.89Å; F195-V207 HydrophobicContact CB-CG2 3.91Å; F195-V207 WeakPolarHBondContact O-CG2 3.24Å; F195-V207 PolarHBondContact O-N 3.22Å; K197-V207 HydrophobicContact CB-CG1 3.76Å; Q205-V207 HydrophobicContact CG-CG1 4.4Å; Q205-V207 PolarHBondContact O-N 3.17Å; V207-Y307 HydrophobicContact CB-CD1 4.26Å; V207-Y307 HydrophobicContact CG2-CD1 3.85Å; V207-Y307 HydrophobicContact CG2-CG 4.11Å; V207-Y307 WeakPolarHBondContact O-CE1 3.48Å; V207-H311 WeakPolarHBondContact CB-NE2 3.1Å; V207-H311 WeakPolarHBondContact CG1-NE2 3.42Å
208	G	97.5	Very high	94.7	Very high	9 Å²	9	48.4 Å²	48.4	9%	0.093	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	180	-165.2	176	0	0	0	0	0	115	F195 R206	F195-G208 PolarHBondContact N-O 2.9Å; F195-G208 PolarHBondContact O-N 3.14Å; R206-G208 VanDerWaalsContact C-N 3.34Å; R206-G208 VanDerWaalsContact CZ-O 3.26Å; R206-G208 PolarHBondContact NH2-O 3.45Å
209	G	97.4	Very high	94.6	Very high	30 Å²	30	50 Å²	50	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176	168.3	175.1	0	0	0	0	0	112.4	V193	V193-G209 CarbonylContact O-C 3.59Å; V193-G209 WeakPolarHBondContact O-CA 3.28Å
210	T	98	Very high	94.8	Very high	27 Å²	27	49.7 Å²	49.7	17%	0.166	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.9	169.5	178	0	0	0	0	110	V193 F195 I212 L303	V193-T210 HydrophobicContact CB-CG2 3.77Å; V193-T210 HydrophobicContact CG2-CG2 4.03Å; V193-T210 PolarHBondContact N-O 3.21Å; V193-T210 PolarHBondContact O-N 3.31Å; F195-T210 HydrophobicContact CE2-CG2 4.25Å; F195-T210 HydrophobicContact CZ-CG2 4.47Å; T210-I212 HydrophobicContact CG2-CB 4.48Å; T210-I212 WeakPolarHBondContact CG2-O 3.41Å; T210-I212 PolarHBondContact OG1-N 2.78Å; T210-L303 HydrophobicContact CG2-CD1 3.68Å
211	S	96.3	Very high	95.1	Very high	105 Å²	105	48.2 Å²	48.2	73%	0.734	28%	0.281	S	S	*	.	S	Bend	trans	-77.4	-9.7	169.6	50.3	0	0	0	0	112.7	G213 T216	S211-G213 PolarHBondContact O-N 3Å; S211-T216 PolarHBondContact O-OG1 2.95Å
212	I	97	Very high	95.6	Very high	62 Å²	62	48.3 Å²	48.3	32%	0.318	28%	0.281	S	S	.	.			trans	-83.4	96.9	175	-55.9	177.5	0	0	0	108.4	V193 T210 T216 V296 N299	V193-I212 WeakPolarHBondContact CG2-O 3.26Å; T210-I212 HydrophobicContact CG2-CB 4.48Å; T210-I212 WeakPolarHBondContact CG2-O 3.41Å; T210-I212 PolarHBondContact OG1-N 2.78Å; I212-T216 WeakPolarHBondContact CA-OG1 3.45Å; I212-V296 HydrophobicContact CG2-CB 4.41Å; I212-V296 HydrophobicContact CG2-CG1 4.37Å; I212-V296 HydrophobicContact CG2-CG2 4.05Å; I212-N299 HydrophobicContact CG2-CB 4.48Å
213	G	94.8	Very high	96.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-146.3	-160.9	-177	0	0	0	0	0	112.8	S211 G215 T216 F217	S211-G213 PolarHBondContact O-N 3Å; G213-G215 PolarHBondContact O-N 3.3Å; G213-T216 PolarHBondContact N-OG1 3.43Å; G213-T216 WeakPolarHBondContact O-CA 3.45Å; G213-T216 VanDerWaalsContact O-CB 3.24Å; G213-T216 WeakPolarHBondContact O-CB 3.41Å; G213-T216 PolarHBondContact O-N 2.76Å; G213-T216 PolarHBondContact O-OG1 2.8Å; G213-F217 PolarHBondContact O-N 3.15Å; G213-F217 VanDerWaalsContact O-N 3.15Å
214	G	93.1	Very high	96.1	Very high	5 Å²	5	50.3 Å²	50.3	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-25.8	-178	0	0	0	0	0	114.2	G190 T216 W218	G190-G214 WeakPolarHBondContact O-CA 3.32Å; G190-G214 PolarHBondContact O-N 3.35Å; G214-T216 VanDerWaalsContact C-N 3.32Å; G214-W218 WeakPolarHBondContact O-CB 3.21Å; G214-W218 PolarHBondContact O-N 3.4Å
215	G	92.9	Very high	96	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-71.8	-25.4	171.4	0	0	0	0	0	113.1	S191 G213 G219	S191-G215 VanDerWaalsContact O-CA 3.31Å; S191-G215 WeakPolarHBondContact O-CA 3.01Å; S191-G215 PolarHBondContact O-N 2.87Å; G213-G215 PolarHBondContact O-N 3.3Å; G215-G219 PolarHBondContact O-N 2.81Å
216	T	96.3	Very high	95.8	Very high	37 Å²	37	44.8 Å²	44.8	23%	0.227	28%	0.276	C	S	.	.	H	α-helix	trans	-75.5	-44.7	173.5	-39.1	0	0	0	0	110.9	S211 I212 G213 G214 L220	S211-T216 PolarHBondContact O-OG1 2.95Å; I212-T216 WeakPolarHBondContact CA-OG1 3.45Å; G213-T216 PolarHBondContact N-OG1 3.43Å; G213-T216 WeakPolarHBondContact O-CA 3.45Å; G213-T216 VanDerWaalsContact O-CB 3.24Å; G213-T216 WeakPolarHBondContact O-CB 3.41Å; G213-T216 PolarHBondContact O-N 2.76Å; G213-T216 PolarHBondContact O-OG1 2.8Å; G214-T216 VanDerWaalsContact C-N 3.32Å; T216-L220 HydrophobicContact CG2-CD1 4.01Å; T216-L220 WeakPolarHBondContact O-CB 3.42Å; T216-L220 WeakPolarHBondContact O-CG 3.26Å; T216-L220 PolarHBondContact O-N 3.1Å
217	F	96.2	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-51.4	171.1	171.9	-99.2	0	0	0	110.9	G213 G221 F231 L234 L235 V289 L292 L293 V296 F322	G213-F217 PolarHBondContact O-N 3.15Å; G213-F217 VanDerWaalsContact O-N 3.15Å; F217-G221 PolarHBondContact O-N 2.94Å; F217-F231 HydrophobicContact CD1-CD2 4.25Å; F217-F231 AromaticContact CD1-CE2 3.76Å; F217-F231 HydrophobicContact CD1-CE2 3.76Å; F217-F231 HydrophobicContact CD1-CZ 4.35Å; F217-F231 HydrophobicContact CE1-CD2 4.44Å; F217-F231 HydrophobicContact CE1-CE2 4.2Å; F217-L234 HydrophobicContact CE1-CB 4.02Å; F217-L234 HydrophobicContact CZ-CB 3.9Å; F217-L235 HydrophobicContact CE1-CD2 3.76Å; F217-L235 HydrophobicContact CE1-CG 4.19Å; F217-L235 HydrophobicContact CZ-CD2 3.86Å; F217-L235 HydrophobicContact CZ-CG 4.5Å; F217-V289 HydrophobicContact CE2-CG1 3.8Å; F217-V289 HydrophobicContact CZ-CG1 3.87Å; F217-L292 HydrophobicContact CD2-CB 4.49Å; F217-L292 HydrophobicContact CD2-CD2 4.03Å; F217-L292 HydrophobicContact CD2-CG 3.93Å; F217-L292 WeakPolarHBondContact O-CD2 3.48Å; F217-L293 HydrophobicContact CD2-CB 4.06Å; F217-L293 HydrophobicContact CD2-CD1 3.77Å; F217-L293 HydrophobicContact CE1-CD1 4.48Å; F217-L293 HydrophobicContact CE2-CB 3.76Å; F217-L293 HydrophobicContact CE2-CD1 3.67Å; F217-L293 HydrophobicContact CE2-CG 4.32Å; F217-L293 HydrophobicContact CG-CD1 4.26Å; F217-L293 HydrophobicContact CZ-CD1 4.04Å; F217-V296 HydrophobicContact CB-CG2 4.32Å; F217-F322 HydrophobicContact CB-CE2 3.77Å; F217-F322 HydrophobicContact CB-CZ 4.35Å; F217-F322 AromaticContact CD1-CE2 3.97Å; F217-F322 HydrophobicContact CD1-CE2 3.97Å; F217-F322 AromaticContact CG-CE2 3.92Å; F217-F322 HydrophobicContact CG-CE2 3.92Å
218	W	93.2	Very high	95.2	Very high	53 Å²	53	47.6 Å²	47.6	20%	0.201	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-54.9	178.8	-162.9	-14	0	0	0	111.1	G214 L220 G221 T222 F231	G214-W218 WeakPolarHBondContact O-CB 3.21Å; G214-W218 PolarHBondContact O-N 3.4Å; W218-L220 PolarHBondContact O-N 2.91Å; W218-G221 PolarHBondContact O-N 2.87Å; W218-T222 VanDerWaalsContact CD1-OG1 3.22Å; W218-T222 VanDerWaalsContact O-CB 3.3Å; W218-T222 WeakPolarHBondContact O-CB 3.23Å; W218-T222 PolarHBondContact O-N 3.44Å; W218-T222 PolarHBondContact O-OG1 2.87Å; W218-T222 VanDerWaalsContact O-OG1 3.12Å; W218-F231 HydrophobicContact CB-CD2 3.92Å; W218-F231 HydrophobicContact CB-CE2 4.43Å; W218-F231 HydrophobicContact CD2-CB 3.87Å; W218-F231 AromaticContact CD2-CD2 3.75Å; W218-F231 HydrophobicContact CD2-CD2 3.75Å; W218-F231 HydrophobicContact CD2-CG 4.27Å; W218-F231 HydrophobicContact CE3-CB 4Å; W218-F231 AromaticContact CE3-CD2 3.63Å; W218-F231 HydrophobicContact CE3-CD2 3.63Å; W218-F231 HydrophobicContact CE3-CG 4.14Å; W218-F231 HydrophobicContact CG-CB 4.44Å; W218-F231 AromaticContact CG-CD2 3.89Å; W218-F231 HydrophobicContact CG-CD2 3.89Å; W218-F231 HydrophobicContact CH2-CB 4.12Å; W218-F231 HydrophobicContact CZ2-CB 3.99Å; W218-F231 HydrophobicContact CZ3-CB 4.11Å; W218-F231 HydrophobicContact CZ3-CD2 4.35Å; W218-F231 HydrophobicContact CZ3-CG 4.46Å
219	G	94.6	Very high	94.9	Very high	34 Å²	34	50.3 Å²	50.3	35%	0.351	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-45.6	-175.6	0	0	0	0	0	113.5	G215 L223	G215-G219 PolarHBondContact O-N 2.81Å; G219-L223 WeakPolarHBondContact O-CG 3.29Å; G219-L223 PolarHBondContact O-N 2.97Å; G219-L223 VanDerWaalsContact O-N 3.11Å
220	L	97.4	Very high	94.4	Very high	82 Å²	82	51.8 Å²	51.8	43%	0.429	32%	0.317	S	S	.	.	H	α-helix	trans	-74	-36.5	178.1	-64	179.3	0	0	0	112.1	T216 W218 L223 L224 L292	T216-L220 HydrophobicContact CG2-CD1 4.01Å; T216-L220 WeakPolarHBondContact O-CB 3.42Å; T216-L220 WeakPolarHBondContact O-CG 3.26Å; T216-L220 PolarHBondContact O-N 3.1Å; W218-L220 PolarHBondContact O-N 2.91Å; L220-L223 HydrophobicContact CD2-CD1 4.31Å; L220-L223 PolarHBondContact O-N 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.21Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.24Å; L220-L224 PolarHBondContact O-N 2.73Å; L220-L292 HydrophobicContact CB-CD1 3.95Å; L220-L292 HydrophobicContact CB-CD2 3.7Å; L220-L292 HydrophobicContact CD1-CD1 3.83Å
221	G	96.5	Very high	93.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-39.2	174.7	0	0	0	0	0	113	F217 W218 S225	F217-G221 PolarHBondContact O-N 2.94Å; W218-G221 PolarHBondContact O-N 2.87Å; G221-S225 VanDerWaalsContact O-CB 3.3Å; G221-S225 WeakPolarHBondContact O-CB 3.39Å; G221-S225 PolarHBondContact O-N 2.85Å; G221-S225 PolarHBondContact O-OG 3.05Å
222	T	94.7	Very high	93.4	Very high	44 Å²	44	48.1 Å²	48.1	27%	0.27	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-41.7	170.5	-70.1	0	0	0	0	111.4	W218 S225 G226 G227	W218-T222 VanDerWaalsContact CD1-OG1 3.22Å; W218-T222 VanDerWaalsContact O-CB 3.3Å; W218-T222 WeakPolarHBondContact O-CB 3.23Å; W218-T222 PolarHBondContact O-N 3.44Å; W218-T222 PolarHBondContact O-OG1 2.87Å; W218-T222 VanDerWaalsContact O-OG1 3.12Å; T222-S225 PolarHBondContact O-OG 2.92Å; T222-G226 PolarHBondContact O-N 3.46Å; T222-G226 VanDerWaalsContact O-N 3.15Å; T222-G227 PolarHBondContact O-N 2.89Å
223	L	97.3	Very high	93.1	Very high	134 Å²	134	49 Å²	49	70%	0.702	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-48.2	175.9	-72.8	169.3	0	0	0	112.3	G219 L220 S225 G226	G219-L223 WeakPolarHBondContact O-CG 3.29Å; G219-L223 PolarHBondContact O-N 2.97Å; G219-L223 VanDerWaalsContact O-N 3.11Å; L220-L223 HydrophobicContact CD2-CD1 4.31Å; L220-L223 PolarHBondContact O-N 3.29Å; L223-S225 PolarHBondContact O-N 3.04Å; L223-G226 PolarHBondContact O-N 3.39Å
224	L	95.3	Very high	93	Very high	70 Å²	70	49 Å²	49	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-33.2	178.6	-73	167.5	0	0	0	112.8	L220 L285 M288 L292	L220-L224 WeakPolarHBondContact O-CB 3.21Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.24Å; L220-L224 PolarHBondContact O-N 2.73Å; L224-L285 HydrophobicContact CB-CD1 4.06Å; L224-M288 HydrophobicContact CD1-CB 4.34Å; L224-M288 HydrophobicContact CD2-SD 4.21Å; L224-L292 HydrophobicContact CD1-CD2 4.28Å
225	S	94.2	Very high	92.9	Very high	9 Å²	9	49 Å²	49	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-91	-6.4	179.4	61.7	0	0	0	0	115.2	G221 T222 L223	G221-S225 VanDerWaalsContact O-CB 3.3Å; G221-S225 WeakPolarHBondContact O-CB 3.39Å; G221-S225 PolarHBondContact O-N 2.85Å; G221-S225 PolarHBondContact O-OG 3.05Å; T222-S225 PolarHBondContact O-OG 2.92Å; L223-S225 PolarHBondContact O-N 3.04Å
226	G	93.6	Very high	92.8	Very high	59 Å²	59	52.9 Å²	52.9	61%	0.608	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	31.4	-173.9	0	0	0	0	0	114	T222 L223 K228	T222-G226 PolarHBondContact O-N 3.46Å; T222-G226 VanDerWaalsContact O-N 3.15Å; L223-G226 PolarHBondContact O-N 3.39Å; G226-K228 PolarHBondContact O-N 3.43Å
227	G	91.3	Very high	92.7	Very high	51 Å²	51	52.8 Å²	52.8	53%	0.526	30%	0.298	S	S	.	.	S	Bend	trans	77.2	16.9	173.1	0	0	0	0	0	116.1	T222	T222-G227 PolarHBondContact O-N 2.89Å
228	K	90.8	Very high	92.6	Very high	163 Å²	163	52.8 Å²	52.8	71%	0.709	30%	0.298	S	S	*	.			trans	-87.5	-18.3	-169.6	-64.9	177.3	-175.3	173.1	0	115.6	G226	G226-K228 PolarHBondContact O-N 3.43Å
229	F	91.3	Very high	92.5	Very high	66 Å²	66	53.5 Å²	53.5	29%	0.289	31%	0.305	S	S	.	.	S	Bend	trans	-124.6	146.6	-172.2	-57.1	-78.5	0	0	0	111.6	E233 L234 M237 L285	F229-E233 HydrophobicContact CB-CB 3.94Å; F229-E233 HydrophobicContact CD1-CB 4.1Å; F229-E233 HydrophobicContact CG-CB 4.43Å; F229-L234 HydrophobicContact CB-CD2 4.23Å; F229-L234 HydrophobicContact CB-CG 4.07Å; F229-M237 HydrophobicContact CD1-CE 4.14Å; F229-M237 HydrophobicContact CD2-CE 3.88Å; F229-M237 HydrophobicContact CE1-CE 3.91Å; F229-M237 HydrophobicContact CE2-CE 3.66Å; F229-M237 HydrophobicContact CG-CE 4.12Å; F229-M237 HydrophobicContact CZ-CE 3.67Å; F229-L285 HydrophobicContact CD2-CD2 4.29Å; F229-L285 HydrophobicContact CE2-CD2 3.73Å
230	T	88.5	Confident	92.4	Very high	61 Å²	61	56.5 Å²	56.5	37%	0.374	32%	0.321	S	S	.	.			trans	-69.2	171.6	168.2	61.6	0	0	0	0	111.8	D232 E233 L234	T230-D232 VanDerWaalsContact C-N 3.32Å; T230-D232 PolarHBondContact O-N 2.93Å; T230-E233 VanDerWaalsContact CB-OE2 3.29Å; T230-E233 WeakPolarHBondContact CB-OE2 3.48Å; T230-E233 WeakPolarHBondContact CG2-OE2 3.46Å; T230-E233 PolarHBondContact N-OE2 3.34Å; T230-E233 WeakPolarHBondContact OG1-CG 3.29Å; T230-E233 PolarHBondContact OG1-N 3.03Å; T230-E233 PolarHBondContact OG1-OE2 2.97Å; T230-L234 WeakPolarHBondContact O-CG 3.33Å; T230-L234 PolarHBondContact O-N 2.71Å; T230-L234 VanDerWaalsContact O-N 3.17Å
231	F	86.5	Confident	92.3	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-43.4	175.2	179	-87.4	0	0	0	112.6	F217 W218 L234 L235 F322	F217-F231 HydrophobicContact CD1-CD2 4.25Å; F217-F231 AromaticContact CD1-CE2 3.76Å; F217-F231 HydrophobicContact CD1-CE2 3.76Å; F217-F231 HydrophobicContact CD1-CZ 4.35Å; F217-F231 HydrophobicContact CE1-CD2 4.44Å; F217-F231 HydrophobicContact CE1-CE2 4.2Å; W218-F231 HydrophobicContact CB-CD2 3.92Å; W218-F231 HydrophobicContact CB-CE2 4.43Å; W218-F231 HydrophobicContact CD2-CB 3.87Å; W218-F231 AromaticContact CD2-CD2 3.75Å; W218-F231 HydrophobicContact CD2-CD2 3.75Å; W218-F231 HydrophobicContact CD2-CG 4.27Å; W218-F231 HydrophobicContact CE3-CB 4Å; W218-F231 AromaticContact CE3-CD2 3.63Å; W218-F231 HydrophobicContact CE3-CD2 3.63Å; W218-F231 HydrophobicContact CE3-CG 4.14Å; W218-F231 HydrophobicContact CG-CB 4.44Å; W218-F231 AromaticContact CG-CD2 3.89Å; W218-F231 HydrophobicContact CG-CD2 3.89Å; W218-F231 HydrophobicContact CH2-CB 4.12Å; W218-F231 HydrophobicContact CZ2-CB 3.99Å; W218-F231 HydrophobicContact CZ3-CB 4.11Å; W218-F231 HydrophobicContact CZ3-CD2 4.35Å; W218-F231 HydrophobicContact CZ3-CG 4.46Å; F231-L234 WeakPolarHBondContact O-CB 3.32Å; F231-L234 PolarHBondContact O-N 2.8Å; F231-L235 HydrophobicContact CD1-CD1 4.07Å; F231-L235 HydrophobicContact CD1-CG 4.37Å; F231-L235 HydrophobicContact CE1-CD1 3.43Å; F231-L235 VanDerWaalsContact CE1-CD1 3.43Å; F231-L235 HydrophobicContact CE1-CG 3.95Å; F231-L235 HydrophobicContact CZ-CD1 4.15Å; F231-L235 HydrophobicContact CZ-CG 4.43Å; F231-L235 PolarHBondContact O-N 3.09Å; F231-F322 HydrophobicContact CE2-CD2 4.07Å; F231-F322 HydrophobicContact CE2-CE2 4.45Å; F231-F322 AromaticContact CZ-CD2 3.75Å; F231-F322 HydrophobicContact CZ-CD2 3.75Å; F231-F322 HydrophobicContact CZ-CE2 4.24Å
232	D	85.3	Confident	92.3	Very high	48 Å²	48	54.8 Å²	54.8	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-76.7	-35.6	-173.6	-60.2	-81.4	0	0	0	111.7	T230 L234 L235 E236 R324	T230-D232 VanDerWaalsContact C-N 3.32Å; T230-D232 PolarHBondContact O-N 2.93Å; D232-L234 VanDerWaalsContact C-N 3.3Å; D232-L234 PolarHBondContact O-N 3.17Å; D232-L235 WeakPolarHBondContact O-CB 3.44Å; D232-L235 PolarHBondContact O-N 3.07Å; D232-L235 VanDerWaalsContact O-N 3.12Å; D232-E236 PolarHBondContact O-N 2.84Å; D232-R324 IonicContact OD1-CZ 3.08Å; D232-R324 IonicContact OD1-NE 2.69Å; D232-R324 IonicContact OD1-NH1 3.01Å; D232-R324 PolarHBondContact OD1-NH1 2.78Å; D232-R324 IonicContact OD2-CZ 3.39Å; D232-R324 IonicContact OD2-NH1 2.79Å; D232-R324 PolarHBondContact OD2-NH1 2.72Å
233	E	91.4	Very high	92.4	Very high	81 Å²	81	54.4 Å²	54.4	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-34.2	169.1	-72.4	166.6	113.2	0	0	112.6	F229 T230 L235 M237	F229-E233 HydrophobicContact CB-CB 3.94Å; F229-E233 HydrophobicContact CD1-CB 4.1Å; F229-E233 HydrophobicContact CG-CB 4.43Å; T230-E233 VanDerWaalsContact CB-OE2 3.29Å; T230-E233 WeakPolarHBondContact CB-OE2 3.48Å; T230-E233 WeakPolarHBondContact CG2-OE2 3.46Å; T230-E233 PolarHBondContact N-OE2 3.34Å; T230-E233 WeakPolarHBondContact OG1-CG 3.29Å; T230-E233 PolarHBondContact OG1-N 3.03Å; T230-E233 PolarHBondContact OG1-OE2 2.97Å; E233-L235 VanDerWaalsContact C-N 3.33Å; E233-M237 WeakPolarHBondContact O-CB 3.41Å; E233-M237 PolarHBondContact O-N 3.37Å
234	L	93.5	Very high	92.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-32.5	173.3	-72.1	168.2	0	0	0	112	F217 F229 T230 F231 D232 A238 V289	F217-L234 HydrophobicContact CE1-CB 4.02Å; F217-L234 HydrophobicContact CZ-CB 3.9Å; F229-L234 HydrophobicContact CB-CD2 4.23Å; F229-L234 HydrophobicContact CB-CG 4.07Å; T230-L234 WeakPolarHBondContact O-CG 3.33Å; T230-L234 PolarHBondContact O-N 2.71Å; T230-L234 VanDerWaalsContact O-N 3.17Å; F231-L234 WeakPolarHBondContact O-CB 3.32Å; F231-L234 PolarHBondContact O-N 2.8Å; D232-L234 VanDerWaalsContact C-N 3.3Å; D232-L234 PolarHBondContact O-N 3.17Å; L234-A238 PolarHBondContact O-N 3.41Å; L234-A238 VanDerWaalsContact O-N 3.1Å; L234-V289 HydrophobicContact CB-CG1 4.19Å; L234-V289 HydrophobicContact CD2-CG1 4.13Å; L234-V289 HydrophobicContact CD2-CG2 3.94Å; L234-V289 WeakPolarHBondContact O-CG1 3.39Å
235	L	91	Very high	92.3	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-68.7	-48.1	173.4	-74.5	-176	0	0	0	111.8	F217 F231 D232 E233 M237 A238 D239 L293 H326	F217-L235 HydrophobicContact CE1-CD2 3.76Å; F217-L235 HydrophobicContact CE1-CG 4.19Å; F217-L235 HydrophobicContact CZ-CD2 3.86Å; F217-L235 HydrophobicContact CZ-CG 4.5Å; F231-L235 HydrophobicContact CD1-CD1 4.07Å; F231-L235 HydrophobicContact CD1-CG 4.37Å; F231-L235 HydrophobicContact CE1-CD1 3.43Å; F231-L235 VanDerWaalsContact CE1-CD1 3.43Å; F231-L235 HydrophobicContact CE1-CG 3.95Å; F231-L235 HydrophobicContact CZ-CD1 4.15Å; F231-L235 HydrophobicContact CZ-CG 4.43Å; F231-L235 PolarHBondContact O-N 3.09Å; D232-L235 WeakPolarHBondContact O-CB 3.44Å; D232-L235 PolarHBondContact O-N 3.07Å; D232-L235 VanDerWaalsContact O-N 3.12Å; E233-L235 VanDerWaalsContact C-N 3.33Å; L235-M237 PolarHBondContact O-N 3.29Å; L235-A238 WeakPolarHBondContact O-CA 3.46Å; L235-A238 VanDerWaalsContact O-CB 3.31Å; L235-A238 WeakPolarHBondContact O-CB 3.36Å; L235-A238 PolarHBondContact O-N 3.22Å; L235-D239 PolarHBondContact O-N 3.19Å; L235-D239 VanDerWaalsContact O-N 3.14Å; L235-L293 HydrophobicContact CD2-CD1 3.65Å; L235-L293 HydrophobicContact CD2-CD2 4.42Å; L235-H326 HydrophobicContact CD1-CB 4.22Å
236	E	90.7	Very high	92.5	Very high	107 Å²	107	54.5 Å²	54.5	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-32.9	176.6	-66.7	-174.9	161.9	0	0	112.3	D232 S240	D232-E236 PolarHBondContact O-N 2.84Å; E236-S240 PolarHBondContact O-OG 2.87Å
237	M	93.5	Very high	92.7	Very high	36 Å²	36	51.7 Å²	51.7	18%	0.177	27%	0.27	C	S	.	.	H	α-helix	trans	-72.1	-29.5	173	-155.5	-172.8	-59.1	0	0	113.1	F229 E233 L235 S240 G241 L285	F229-M237 HydrophobicContact CD1-CE 4.14Å; F229-M237 HydrophobicContact CD2-CE 3.88Å; F229-M237 HydrophobicContact CE1-CE 3.91Å; F229-M237 HydrophobicContact CE2-CE 3.66Å; F229-M237 HydrophobicContact CG-CE 4.12Å; F229-M237 HydrophobicContact CZ-CE 3.67Å; E233-M237 WeakPolarHBondContact O-CB 3.41Å; E233-M237 PolarHBondContact O-N 3.37Å; L235-M237 PolarHBondContact O-N 3.29Å; M237-S240 PolarHBondContact O-OG 3.21Å; M237-G241 PolarHBondContact O-N 3.02Å; M237-L285 HydrophobicContact CE-CD2 3.97Å; M237-L285 HydrophobicContact SD-CB 4Å; M237-L285 HydrophobicContact SD-CD2 3.7Å; M237-L285 HydrophobicContact SD-CG 3.6Å
238	A	94.6	Very high	93	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.5	-37.1	174.6	0	0	0	0	0	112.1	L234 L235 S240 V289 K290 L293 L328	L234-A238 PolarHBondContact O-N 3.41Å; L234-A238 VanDerWaalsContact O-N 3.1Å; L235-A238 WeakPolarHBondContact O-CA 3.46Å; L235-A238 VanDerWaalsContact O-CB 3.31Å; L235-A238 WeakPolarHBondContact O-CB 3.36Å; L235-A238 PolarHBondContact O-N 3.22Å; A238-S240 VanDerWaalsContact C-N 3.3Å; A238-S240 PolarHBondContact O-N 3.26Å; A238-V289 HydrophobicContact CB-CG1 4.24Å; A238-K290 HydrophobicContact CB-CB 4.46Å; A238-K290 WeakPolarHBondContact O-CB 3.32Å; A238-K290 WeakPolarHBondContact O-CD 3.48Å; A238-K290 WeakPolarHBondContact O-CE 3.39Å; A238-K290 WeakPolarHBondContact O-CG 3.27Å; A238-K290 PolarHBondContact O-NZ 2.9Å; A238-L293 HydrophobicContact CB-CB 4.21Å; A238-L293 HydrophobicContact CB-CD2 3.76Å; A238-L328 HydrophobicContact CB-CD2 4.31Å; A238-L328 WeakPolarHBondContact O-CD2 3.38Å
239	D	91.2	Very high	93.3	Very high	67 Å²	67	42.4 Å²	42.4	36%	0.358	22%	0.215	S	C	.	.	H	α-helix	trans	-58.1	-43.4	175.8	-87.7	-0.2	0	0	0	111.4	L235 K290 H326 L328	L235-D239 PolarHBondContact O-N 3.19Å; L235-D239 VanDerWaalsContact O-N 3.14Å; D239-K290 PolarHBondContact O-NZ 3.45Å; D239-H326 IonicContact OD1-CE1 3.4Å; D239-H326 PolarHBondContact OD1-CE1 3Å; D239-H326 IonicContact OD1-NE2 2.75Å; D239-H326 IonicContact OD2-NE2 3.83Å; D239-L328 WeakPolarHBondContact OD1-CB 3.32Å
240	S	91.6	Very high	93.6	Very high	98 Å²	98	39.5 Å²	39.5	69%	0.685	20%	0.203	S	C	*	.	H	α-helix	trans	-82.6	-17.9	-174.9	55.1	0	0	0	0	116.3	E236 M237 A238	E236-S240 PolarHBondContact O-OG 2.87Å; M237-S240 PolarHBondContact O-OG 3.21Å; A238-S240 VanDerWaalsContact C-N 3.3Å; A238-S240 PolarHBondContact O-N 3.26Å
241	G	95.2	Very high	94	Very high	12 Å²	12	40.7 Å²	40.7	12%	0.124	20%	0.201	C	C	.	.			trans	-73.7	174.4	-176.9	0	0	0	0	0	115.8	M237 K290	M237-G241 PolarHBondContact O-N 3.02Å; G241-K290 VanDerWaalsContact C-CD 3.45Å; G241-K290 WeakPolarHBondContact O-CD 3.39Å; G241-K290 WeakPolarHBondContact O-CE 3.43Å; G241-K290 PolarHBondContact O-NZ 3.35Å
242	D	96.2	Very high	94.5	Very high	33 Å²	33	43.4 Å²	43.4	18%	0.176	22%	0.215	C	C	.	.			trans	-126	104.9	168.6	-170.8	-7.2	0	0	0	111.7	R244 H245 D287	D242-R244 PolarHBondContact O-N 3.45Å; D242-R244 VanDerWaalsContact O-N 3.12Å; D242-R244 VanDerWaalsContact OD1-CB 3.26Å; D242-R244 WeakPolarHBondContact OD1-CB 3.37Å; D242-R244 VanDerWaalsContact OD1-CG 3.23Å; D242-R244 WeakPolarHBondContact OD1-CG 3.5Å; D242-R244 IonicContact OD1-CZ 2.7Å; D242-R244 PolarHBondContact OD1-N 2.78Å; D242-R244 IonicContact OD1-NE 2.92Å; D242-R244 PolarHBondContact OD1-NE 2.8Å; D242-R244 IonicContact OD1-NH2 3.32Å; D242-R244 IonicContact OD2-CZ 2.76Å; D242-R244 VanDerWaalsContact OD2-CZ 3.28Å; D242-R244 IonicContact OD2-NE 2.95Å; D242-R244 PolarHBondContact OD2-NE 3.1Å; D242-R244 VanDerWaalsContact OD2-NE 3.07Å; D242-R244 IonicContact OD2-NH2 3.46Å; D242-R244 PolarHBondContact OD2-NH2 2.7Å; D242-H245 PolarHBondContact O-N 3.41Å; D242-H245 IonicContact OD2-CE1 2.72Å; D242-D287 PolarHBondContact N-OD1 3Å; D242-D287 WeakPolarHBondContact O-CB 3.35Å
243	H	96.8	Very high	94.9	Very high	36 Å²	36	44.9 Å²	44.9	17%	0.167	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-64.3	-17.6	-178	81	107.8	0	0	0	113.9	H245 V246 D247 K290 I294	H243-H245 PolarHBondContact O-N 2.88Å; H243-V246 PolarHBondContact O-N 3.35Å; H243-D247 IonicContact CE1-OD2 3.48Å; H243-D247 IonicContact CG-OD2 3.61Å; H243-D247 IonicContact ND1-OD2 2.62Å; H243-D247 PolarHBondContact ND1-OD2 3.42Å; H243-D247 PolarHBondContact O-N 2.84Å; H243-K290 HydrophobicContact CB-CG 4.32Å; H243-I294 HydrophobicContact CB-CD1 3.76Å
244	R	96.1	Very high	95.1	Very high	125 Å²	125	47 Å²	47	47%	0.472	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-69.4	-11.3	-175.9	-58.2	174.6	-64.5	-177.8	4.9	113.6	D242 L249 L274	D242-R244 PolarHBondContact O-N 3.45Å; D242-R244 VanDerWaalsContact O-N 3.12Å; D242-R244 VanDerWaalsContact OD1-CB 3.26Å; D242-R244 WeakPolarHBondContact OD1-CB 3.37Å; D242-R244 VanDerWaalsContact OD1-CG 3.23Å; D242-R244 WeakPolarHBondContact OD1-CG 3.5Å; D242-R244 IonicContact OD1-CZ 2.7Å; D242-R244 PolarHBondContact OD1-N 2.78Å; D242-R244 IonicContact OD1-NE 2.92Å; D242-R244 PolarHBondContact OD1-NE 2.8Å; D242-R244 IonicContact OD1-NH2 3.32Å; D242-R244 IonicContact OD2-CZ 2.76Å; D242-R244 VanDerWaalsContact OD2-CZ 3.28Å; D242-R244 IonicContact OD2-NE 2.95Å; D242-R244 PolarHBondContact OD2-NE 3.1Å; D242-R244 VanDerWaalsContact OD2-NE 3.07Å; D242-R244 IonicContact OD2-NH2 3.46Å; D242-R244 PolarHBondContact OD2-NH2 2.7Å; R244-L249 HydrophobicContact CG-CD1 4.36Å; R244-L274 WeakPolarHBondContact O-CD1 3.38Å
245	H	95.3	Very high	95.2	Very high	90 Å²	90	50.6 Å²	50.6	42%	0.417	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-86.3	-8.4	170.3	-53.2	131.2	0	0	0	113.3	D242 H243 R283 D287	D242-H245 PolarHBondContact O-N 3.41Å; D242-H245 IonicContact OD2-CE1 2.72Å; H243-H245 PolarHBondContact O-N 2.88Å; H245-R283 VanDerWaalsContact O-CD 3.29Å; H245-R283 WeakPolarHBondContact O-CD 3.35Å; H245-R283 PolarHBondContact O-NE 3.28Å; H245-D287 IonicContact CE1-OD2 3.32Å; H245-D287 IonicContact CG-OD2 2.71Å; H245-D287 IonicContact ND1-OD2 3.6Å; H245-D287 PolarHBondContact ND1-OD2 3.08Å
246	V	97.6	Very high	95.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-46.1	-170	176.4	0	0	0	0	111.2	H243 F272 G273 L274 R283 D287 M288 S291	H243-V246 PolarHBondContact O-N 3.35Å; V246-F272 HydrophobicContact CG1-CB 4.39Å; V246-F272 HydrophobicContact CG1-CD1 3.37Å; V246-F272 HydrophobicContact CG1-CE1 3.67Å; V246-F272 HydrophobicContact CG1-CG 3.91Å; V246-F272 HydrophobicContact CG1-CZ 4.41Å; V246-F272 CarbonylContact O-C 3.41Å; V246-F272 WeakPolarHBondContact O-CA 3.29Å; V246-G273 PolarHBondContact O-N 3.46Å; V246-L274 WeakPolarHBondContact O-CB 3.44Å; V246-L274 PolarHBondContact O-N 3.08Å; V246-R283 HydrophobicContact CG2-CB 4.38Å; V246-R283 HydrophobicContact CG2-CG 4.34Å; V246-D287 HydrophobicContact CG2-CB 3.87Å; V246-M288 HydrophobicContact CG1-CG 4.43Å; V246-M288 HydrophobicContact CG2-CG 3.83Å; V246-S291 WeakPolarHBondContact CG1-OG 3.31Å
247	D	97.9	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-81.3	139.6	177.3	-64.4	-29.2	0	0	0	111.9	H243 L249 I268 S271 F272 L274 S291	H243-D247 IonicContact CE1-OD2 3.48Å; H243-D247 IonicContact CG-OD2 3.61Å; H243-D247 IonicContact ND1-OD2 2.62Å; H243-D247 PolarHBondContact ND1-OD2 3.42Å; H243-D247 PolarHBondContact O-N 2.84Å; D247-L249 HydrophobicContact CB-CD2 4.39Å; D247-I268 HydrophobicContact CB-CD1 4.47Å; D247-I268 HydrophobicContact CB-CG1 4.19Å; D247-I268 HydrophobicContact CB-CG2 4.11Å; D247-I268 WeakPolarHBondContact OD2-CD1 3.48Å; D247-S271 VanDerWaalsContact OD1-CA 3.28Å; D247-S271 WeakPolarHBondContact OD1-CA 3.35Å; D247-F272 PolarHBondContact OD1-N 3.06Å; D247-L274 VanDerWaalsContact O-CD1 3.24Å; D247-L274 WeakPolarHBondContact O-CD1 3.09Å; D247-L274 WeakPolarHBondContact O-CG 3.49Å; D247-S291 WeakPolarHBondContact OD1-CB 3.3Å; D247-S291 PolarHBondContact OD1-OG 3.12Å
248	M	97.6	Very high	95.7	Very high	17 Å²	17	50.9 Å²	50.9	8%	0.084	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.5	170	-179.7	177.1	56.6	0	0	109.5	D252 I253 A269 S270 L274 R277	M248-D252 HydrophobicContact CG-CB 3.91Å; M248-I253 HydrophobicContact CE-CD1 3.96Å; M248-I253 HydrophobicContact CE-CG1 4.33Å; M248-I253 HydrophobicContact CG-CD1 4.46Å; M248-I253 HydrophobicContact CG-CG1 4.17Å; M248-I253 HydrophobicContact SD-CD1 4.14Å; M248-I253 HydrophobicContact SD-CG1 3.84Å; M248-A269 PolarHBondContact O-N 3.25Å; M248-S270 PolarHBondContact N-O 3.43Å; M248-S270 PolarHBondContact O-N 3.33Å; M248-L274 HydrophobicContact CB-CD2 4.11Å; M248-L274 HydrophobicContact CB-CG 4.15Å; M248-L274 HydrophobicContact CG-CD2 4.28Å; M248-R277 PolarHBondContact SD-NE 2.98Å; M248-R277 VanDerWaalsContact SD-NE 3.41Å; M248-R277 PolarHBondContact SD-NH1 3.25Å; M248-R277 VanDerWaalsContact SD-NH1 3.42Å
249	L	97.7	Very high	95.7	Very high	2 Å²	2	59 Å²	59	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	168.4	-176.8	-49.5	178	0	0	0	111.3	R244 D247 R251 D252 V267 I268	R244-L249 HydrophobicContact CG-CD1 4.36Å; D247-L249 HydrophobicContact CB-CD2 4.39Å; L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 HydrophobicContact CB-CG 4.27Å; L249-R251 PolarHBondContact O-N 3.41Å; L249-D252 WeakPolarHBondContact CB-OD2 3.44Å; L249-D252 PolarHBondContact N-OD2 2.85Å; L249-D252 PolarHBondContact O-N 3.48Å; L249-D252 VanDerWaalsContact O-N 3.07Å; L249-V267 CarbonylContact C-O 3.24Å; L249-V267 VanDerWaalsContact CA-O 3.3Å; L249-V267 WeakPolarHBondContact CA-O 3.27Å; L249-I268 HydrophobicContact CD2-CB 4.3Å; L249-I268 HydrophobicContact CD2-CG1 3.67Å
250	V	97.4	Very high	95.7	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.036	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-40	176	169.9	0	0	0	0	111.2	D252 I253 Y254 L263 V267 A269	V250-D252 VanDerWaalsContact C-N 3.26Å; V250-D252 PolarHBondContact O-N 2.86Å; V250-I253 PolarHBondContact O-N 3.37Å; V250-I253 VanDerWaalsContact O-N 3.15Å; V250-Y254 HydrophobicContact CG1-CD2 3.97Å; V250-Y254 PolarHBondContact O-N 3.35Å; V250-L263 HydrophobicContact CG2-CB 4.34Å; V250-V267 HydrophobicContact CG2-CB 3.93Å; V250-V267 HydrophobicContact CG2-CG1 4.3Å; V250-V267 WeakPolarHBondContact CG2-O 3.23Å; V250-V267 PolarHBondContact N-O 3.37Å; V250-A269 HydrophobicContact CG2-CB 4.15Å
251	R	97.2	Very high	95.6	Very high	86 Å²	86	60.7 Å²	60.7	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-26.8	177	70.4	176.3	166.7	-126.1	-12	114.2	L249 I253 G255 G256 G265 D266	L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 HydrophobicContact CB-CG 4.27Å; L249-R251 PolarHBondContact O-N 3.41Å; R251-I253 PolarHBondContact O-N 3.36Å; R251-G255 WeakPolarHBondContact O-CA 3.5Å; R251-G255 PolarHBondContact O-N 2.91Å; R251-G256 VanDerWaalsContact CA-O 3.29Å; R251-G256 WeakPolarHBondContact CA-O 3.44Å; R251-G256 PolarHBondContact N-O 2.78Å; R251-G265 WeakPolarHBondContact CG-O 3.34Å; R251-G265 PolarHBondContact N-O 3.09Å; R251-D266 IonicContact CZ-OD1 2.7Å; R251-D266 IonicContact NH1-OD1 2.65Å; R251-D266 PolarHBondContact NH1-OD1 2.74Å; R251-D266 IonicContact NH1-OD2 3.65Å; R251-D266 IonicContact NH2-OD1 3.49Å; R251-D266 PolarHBondContact NH2-OD1 2.91Å
252	D	95.9	Very high	95.3	Very high	62 Å²	62	63.3 Å²	63.3	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-78.9	-4.5	-179.6	-48.8	-34.3	0	0	0	112.1	M248 L249 V250	M248-D252 HydrophobicContact CG-CB 3.91Å; L249-D252 WeakPolarHBondContact CB-OD2 3.44Å; L249-D252 PolarHBondContact N-OD2 2.85Å; L249-D252 PolarHBondContact O-N 3.48Å; L249-D252 VanDerWaalsContact O-N 3.07Å; V250-D252 VanDerWaalsContact C-N 3.26Å; V250-D252 PolarHBondContact O-N 2.86Å
253	I	95.4	Very high	95	Very high	79 Å²	79	63.9 Å²	63.9	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-111	-44.9	173.9	-56.2	175.5	0	0	0	110.6	M248 V250 R251 A269	M248-I253 HydrophobicContact CE-CD1 3.96Å; M248-I253 HydrophobicContact CE-CG1 4.33Å; M248-I253 HydrophobicContact CG-CD1 4.46Å; M248-I253 HydrophobicContact CG-CG1 4.17Å; M248-I253 HydrophobicContact SD-CD1 4.14Å; M248-I253 HydrophobicContact SD-CG1 3.84Å; V250-I253 PolarHBondContact O-N 3.37Å; V250-I253 VanDerWaalsContact O-N 3.15Å; R251-I253 PolarHBondContact O-N 3.36Å; I253-A269 HydrophobicContact CD1-CB 3.6Å
254	Y	95.3	Very high	94.9	Very high	127 Å²	127	65.1 Å²	65.1	50%	0.498	37%	0.372	S	S	.	.	H	α-helix	trans	-105.9	-5.9	-170.5	-69.1	-86	0	0	0	114.9	V250 G256 Y258	V250-Y254 HydrophobicContact CG1-CD2 3.97Å; V250-Y254 PolarHBondContact O-N 3.35Å; Y254-G256 PolarHBondContact O-N 2.82Å; Y254-Y258 HydrophobicContact CD1-CD2 4.32Å; Y254-Y258 HydrophobicContact CD1-CG 4.39Å; Y254-Y258 HydrophobicContact CD2-CG 4.45Å; Y254-Y258 HydrophobicContact CE1-CD1 4.3Å; Y254-Y258 HydrophobicContact CE1-CD2 4.03Å; Y254-Y258 HydrophobicContact CE1-CE1 4.46Å; Y254-Y258 HydrophobicContact CE1-CE2 4.21Å; Y254-Y258 HydrophobicContact CE1-CG 4.09Å; Y254-Y258 AromaticContact CE2-CD1 3.98Å; Y254-Y258 HydrophobicContact CE2-CD1 3.98Å; Y254-Y258 HydrophobicContact CE2-CG 4.17Å; Y254-Y258 AromaticContact CZ-CD1 3.77Å; Y254-Y258 AromaticContact CZ-CE1 3.96Å; Y254-Y258 AromaticContact CZ-CG 3.97Å
255	G	95	Very high	94.9	Very high	75 Å²	75	59.7 Å²	59.7	77%	0.773	36%	0.355	S	S	*	.	S	Bend	trans	74.9	-1.5	-174.1	0	0	0	0	0	114.9	R251	R251-G255 WeakPolarHBondContact O-CA 3.5Å; R251-G255 PolarHBondContact O-N 2.91Å
256	G	95.5	Very high	94.9	Very high	28 Å²	28	60 Å²	60	29%	0.289	36%	0.359	S	S	.	.	S	Bend	trans	-171.7	-145.8	-176.5	0	0	0	0	0	112	R251 Y254 G265	R251-G256 VanDerWaalsContact CA-O 3.29Å; R251-G256 WeakPolarHBondContact CA-O 3.44Å; R251-G256 PolarHBondContact N-O 2.78Å; Y254-G256 PolarHBondContact O-N 2.82Å; G256-G265 WeakPolarHBondContact O-CA 3.16Å
257	A	95.2	Very high	94.7	Very high	49 Å²	49	60.9 Å²	60.9	41%	0.405	37%	0.365	S	S	.	.			trans	-76.2	154.6	169	0	0	0	0	0	111.2	E259 L263	A257-E259 HydrophobicContact CB-CG 4.37Å; A257-E259 PolarHBondContact O-N 3.42Å; A257-L263 CarbonylContact C-O 2.92Å; A257-L263 WeakPolarHBondContact CA-O 3.5Å; A257-L263 WeakPolarHBondContact CB-O 3.43Å
258	Y	95.5	Very high	94.6	Very high	76 Å²	76	62.7 Å²	62.7	30%	0.298	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-98.8	82.3	167.1	-176.6	-158.2	0	0	0	109.4	Y254 A260 L261 G262 L263	Y254-Y258 HydrophobicContact CD1-CD2 4.32Å; Y254-Y258 HydrophobicContact CD1-CG 4.39Å; Y254-Y258 HydrophobicContact CD2-CG 4.45Å; Y254-Y258 HydrophobicContact CE1-CD1 4.3Å; Y254-Y258 HydrophobicContact CE1-CD2 4.03Å; Y254-Y258 HydrophobicContact CE1-CE1 4.46Å; Y254-Y258 HydrophobicContact CE1-CE2 4.21Å; Y254-Y258 HydrophobicContact CE1-CG 4.09Å; Y254-Y258 AromaticContact CE2-CD1 3.98Å; Y254-Y258 HydrophobicContact CE2-CD1 3.98Å; Y254-Y258 HydrophobicContact CE2-CG 4.17Å; Y254-Y258 AromaticContact CZ-CD1 3.77Å; Y254-Y258 AromaticContact CZ-CE1 3.96Å; Y254-Y258 AromaticContact CZ-CG 3.97Å; Y258-A260 VanDerWaalsContact C-N 3.32Å; Y258-A260 HydrophobicContact CD2-CB 4.38Å; Y258-A260 HydrophobicContact CE2-CB 3.88Å; Y258-A260 PolarHBondContact O-N 2.94Å; Y258-L261 HydrophobicContact CD1-CB 4.33Å; Y258-L261 HydrophobicContact CD1-CD1 3.95Å; Y258-L261 HydrophobicContact CD1-CG 4.18Å; Y258-L261 HydrophobicContact CE1-CB 4.39Å; Y258-L261 HydrophobicContact CE1-CD1 3.42Å; Y258-L261 VanDerWaalsContact CE1-CD1 3.42Å; Y258-L261 HydrophobicContact CE1-CG 3.74Å; Y258-L261 PolarHBondContact O-N 3.42Å; Y258-G262 PolarHBondContact O-N 2.87Å; Y258-L263 HydrophobicContact CD1-CD1 4.4Å; Y258-L263 PolarHBondContact N-O 3.44Å; Y258-L263 PolarHBondContact O-N 3.19Å
259	E	93.4	Very high	94.5	Very high	171 Å²	171	64.3 Å²	64.3	80%	0.799	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-57.3	-39.4	-167.7	-60.8	163.7	150.9	0	0	113.2	A257 L261 G262	A257-E259 HydrophobicContact CB-CG 4.37Å; A257-E259 PolarHBondContact O-N 3.42Å; E259-L261 PolarHBondContact O-N 2.94Å; E259-L261 VanDerWaalsContact O-N 3.13Å; E259-G262 PolarHBondContact O-N 3.35Å
260	A	92.8	Very high	94.5	Very high	84 Å²	84	66.6 Å²	66.6	69%	0.694	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.9	-177.9	0	0	0	0	0	114.5	Y258	Y258-A260 VanDerWaalsContact C-N 3.32Å; Y258-A260 HydrophobicContact CD2-CB 4.38Å; Y258-A260 HydrophobicContact CE2-CB 3.88Å; Y258-A260 PolarHBondContact O-N 2.94Å
261	L	88.1	Confident	94.5	Very high	116 Å²	116	68.4 Å²	68.4	61%	0.607	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-115	7	172.2	-63	-174.4	0	0	0	112.9	Y258 E259 L263	Y258-L261 HydrophobicContact CD1-CB 4.33Å; Y258-L261 HydrophobicContact CD1-CD1 3.95Å; Y258-L261 HydrophobicContact CD1-CG 4.18Å; Y258-L261 HydrophobicContact CE1-CB 4.39Å; Y258-L261 HydrophobicContact CE1-CD1 3.42Å; Y258-L261 VanDerWaalsContact CE1-CD1 3.42Å; Y258-L261 HydrophobicContact CE1-CG 3.74Å; Y258-L261 PolarHBondContact O-N 3.42Å; E259-L261 PolarHBondContact O-N 2.94Å; E259-L261 VanDerWaalsContact O-N 3.13Å; L261-L263 HydrophobicContact CB-CD1 4.23Å; L261-L263 HydrophobicContact CB-CG 4.06Å; L261-L263 HydrophobicContact CD1-CD1 4.46Å; L261-L263 PolarHBondContact O-N 3.44Å
262	G	89.4	Confident	94.5	Very high	68 Å²	68	67.1 Å²	67.1	70%	0.701	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	17.2	-177.7	0	0	0	0	0	115.1	Y258 E259	Y258-G262 PolarHBondContact O-N 2.87Å; E259-G262 PolarHBondContact O-N 3.35Å
263	L	91	Very high	94.6	Very high	45 Å²	45	64.4 Å²	64.4	24%	0.236	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-86.2	117.8	-177.6	-60.3	177.3	0	0	0	110.5	V250 A257 Y258 L261 F339	V250-L263 HydrophobicContact CG2-CB 4.34Å; A257-L263 CarbonylContact C-O 2.92Å; A257-L263 WeakPolarHBondContact CA-O 3.5Å; A257-L263 WeakPolarHBondContact CB-O 3.43Å; Y258-L263 HydrophobicContact CD1-CD1 4.4Å; Y258-L263 PolarHBondContact N-O 3.44Å; Y258-L263 PolarHBondContact O-N 3.19Å; L261-L263 HydrophobicContact CB-CD1 4.23Å; L261-L263 HydrophobicContact CB-CG 4.06Å; L261-L263 HydrophobicContact CD1-CD1 4.46Å; L261-L263 PolarHBondContact O-N 3.44Å; L263-F339 HydrophobicContact CD2-CZ 3.86Å
264	S	94.1	Very high	94.7	Very high	62 Å²	62	62 Å²	62	43%	0.434	39%	0.391	S	S	.	.			trans	-69.2	155.9	174.9	68.2	0	0	0	0	111.9	D266 V267	S264-D266 PolarHBondContact O-N 3.08Å; S264-D266 VanDerWaalsContact O-N 3.17Å; S264-V267 WeakPolarHBondContact O-CB 3.33Å; S264-V267 WeakPolarHBondContact O-CG2 3.49Å; S264-V267 PolarHBondContact O-N 2.89Å; S264-V267 VanDerWaalsContact O-N 3.11Å
265	G	95.3	Very high	94.6	Very high	11 Å²	11	57.4 Å²	57.4	11%	0.113	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-175	0	0	0	0	0	115	R251 G256	R251-G265 WeakPolarHBondContact CG-O 3.34Å; R251-G265 PolarHBondContact N-O 3.09Å; G256-G265 WeakPolarHBondContact O-CA 3.16Å
266	D	94.7	Very high	94.5	Very high	95 Å²	95	57.9 Å²	57.9	51%	0.508	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6	177.6	-67.7	-82.2	0	0	0	114.2	R251 S264 I268	R251-D266 IonicContact CZ-OD1 2.7Å; R251-D266 IonicContact NH1-OD1 2.65Å; R251-D266 PolarHBondContact NH1-OD1 2.74Å; R251-D266 IonicContact NH1-OD2 3.65Å; R251-D266 IonicContact NH2-OD1 3.49Å; R251-D266 PolarHBondContact NH2-OD1 2.91Å; S264-D266 PolarHBondContact O-N 3.08Å; S264-D266 VanDerWaalsContact O-N 3.17Å; D266-I268 PolarHBondContact O-N 2.79Å
267	V	94.1	Very high	94.3	Very high	19 Å²	19	63.2 Å²	63.2	12%	0.115	39%	0.388	C	S	.	.	S	Bend	trans	-65.3	133.5	173.8	175.9	0	0	0	0	109.6	L249 V250 S264 A269 F339	L249-V267 CarbonylContact C-O 3.24Å; L249-V267 VanDerWaalsContact CA-O 3.3Å; L249-V267 WeakPolarHBondContact CA-O 3.27Å; V250-V267 HydrophobicContact CG2-CB 3.93Å; V250-V267 HydrophobicContact CG2-CG1 4.3Å; V250-V267 WeakPolarHBondContact CG2-O 3.23Å; V250-V267 PolarHBondContact N-O 3.37Å; S264-V267 WeakPolarHBondContact O-CB 3.33Å; S264-V267 WeakPolarHBondContact O-CG2 3.49Å; S264-V267 PolarHBondContact O-N 2.89Å; S264-V267 VanDerWaalsContact O-N 3.11Å; V267-A269 PolarHBondContact O-N 2.85Å; V267-F339 HydrophobicContact CG2-CE2 4.23Å
268	I	96.5	Very high	94.2	Very high	39 Å²	39	64.2 Å²	64.2	20%	0.2	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	117.7	172.1	-62.4	165.1	0	0	0	109	D247 L249 D266 I294	D247-I268 HydrophobicContact CB-CD1 4.47Å; D247-I268 HydrophobicContact CB-CG1 4.19Å; D247-I268 HydrophobicContact CB-CG2 4.11Å; D247-I268 WeakPolarHBondContact OD2-CD1 3.48Å; L249-I268 HydrophobicContact CD2-CB 4.3Å; L249-I268 HydrophobicContact CD2-CG1 3.67Å; D266-I268 PolarHBondContact O-N 2.79Å; I268-I294 HydrophobicContact CD1-CG2 3.52Å
269	A	95.7	Very high	94.1	Very high	50 Å²	50	65.6 Å²	65.6	41%	0.413	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-30.2	174.5	0	0	0	0	0	111.9	M248 V250 I253 V267	M248-A269 PolarHBondContact O-N 3.25Å; V250-A269 HydrophobicContact CG2-CB 4.15Å; I253-A269 HydrophobicContact CD1-CB 3.6Å; V267-A269 PolarHBondContact O-N 2.85Å
270	S	97.2	Very high	94.1	Very high	50 Å²	50	63.7 Å²	63.7	35%	0.35	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	112	174.7	179	0	0	0	0	111	M248 G273	M248-S270 PolarHBondContact N-O 3.43Å; M248-S270 PolarHBondContact O-N 3.33Å; S270-G273 PolarHBondContact O-N 2.91Å; S270-G273 VanDerWaalsContact O-N 3.08Å
271	S	97.2	Very high	94	Very high	44 Å²	44	63.6 Å²	63.6	31%	0.308	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	137.5	169.8	-63.3	0	0	0	0	111.6	D247 G273 T295	D247-S271 VanDerWaalsContact OD1-CA 3.28Å; D247-S271 WeakPolarHBondContact OD1-CA 3.35Å; S271-G273 PolarHBondContact O-N 3.04Å; S271-T295 WeakPolarHBondContact CB-OG1 3.22Å; S271-T295 WeakPolarHBondContact OG-CG2 3.3Å; S271-T295 PolarHBondContact OG-OG1 3.08Å
272	F	97.4	Very high	94.2	Very high	59 Å²	59	64 Å²	64	26%	0.259	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	8.7	-175.6	-68.7	-95.2	0	0	0	115.9	V246 D247 L274 A275 A276 M288 S291 L292	V246-F272 HydrophobicContact CG1-CB 4.39Å; V246-F272 HydrophobicContact CG1-CD1 3.37Å; V246-F272 HydrophobicContact CG1-CE1 3.67Å; V246-F272 HydrophobicContact CG1-CG 3.91Å; V246-F272 HydrophobicContact CG1-CZ 4.41Å; V246-F272 CarbonylContact O-C 3.41Å; V246-F272 WeakPolarHBondContact O-CA 3.29Å; D247-F272 PolarHBondContact OD1-N 3.06Å; F272-L274 VanDerWaalsContact C-N 3.3Å; F272-L274 PolarHBondContact O-N 2.98Å; F272-A275 WeakPolarHBondContact O-CB 3.33Å; F272-A275 PolarHBondContact O-N 3.18Å; F272-A276 PolarHBondContact O-N 2.7Å; F272-M288 HydrophobicContact CE1-CB 4.3Å; F272-M288 WeakPolarHBondContact CZ-O 3.49Å; F272-S291 WeakPolarHBondContact CD2-OG 3.47Å; F272-S291 WeakPolarHBondContact CE2-OG 3.23Å; F272-S291 WeakPolarHBondContact CZ-OG 3.42Å; F272-L292 HydrophobicContact CE2-CB 4.32Å; F272-L292 HydrophobicContact CZ-CB 4.01Å
273	G	97.5	Very high	94.3	Very high	6 Å²	6	63.4 Å²	63.4	6%	0.062	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-31.1	-173.9	0	0	0	0	0	115	V246 S270 S271 A276 R277	V246-G273 PolarHBondContact O-N 3.46Å; S270-G273 PolarHBondContact O-N 2.91Å; S270-G273 VanDerWaalsContact O-N 3.08Å; S271-G273 PolarHBondContact O-N 3.04Å; G273-A276 PolarHBondContact O-N 3.43Å; G273-R277 WeakPolarHBondContact O-CG 3.5Å; G273-R277 PolarHBondContact O-N 2.91Å; G273-R277 VanDerWaalsContact O-N 3.08Å
274	L	97	Very high	94.5	Very high	27 Å²	27	65.8 Å²	65.8	14%	0.141	38%	0.38	C	S	.	.	H	α-helix	trans	-79.8	-21.3	177.1	-61.5	-178.7	0	0	0	113	R244 V246 D247 M248 F272 H278 R283	R244-L274 WeakPolarHBondContact O-CD1 3.38Å; V246-L274 WeakPolarHBondContact O-CB 3.44Å; V246-L274 PolarHBondContact O-N 3.08Å; D247-L274 VanDerWaalsContact O-CD1 3.24Å; D247-L274 WeakPolarHBondContact O-CD1 3.09Å; D247-L274 WeakPolarHBondContact O-CG 3.49Å; M248-L274 HydrophobicContact CB-CD2 4.11Å; M248-L274 HydrophobicContact CB-CG 4.15Å; M248-L274 HydrophobicContact CG-CD2 4.28Å; F272-L274 VanDerWaalsContact C-N 3.3Å; F272-L274 PolarHBondContact O-N 2.98Å; L274-H278 WeakPolarHBondContact O-CB 3.27Å; L274-H278 PolarHBondContact O-N 2.99Å; L274-H278 VanDerWaalsContact O-N 3.15Å; L274-R283 PolarHBondContact O-NH2 3.14Å
275	A	93.1	Very high	94.6	Very high	32 Å²	32	64.8 Å²	64.8	26%	0.264	37%	0.37	S	S	.	.	H	α-helix	trans	-72.1	-35.3	170.1	0	0	0	0	0	111.3	F272	F272-A275 WeakPolarHBondContact O-CB 3.33Å; F272-A275 PolarHBondContact O-N 3.18Å
276	A	93.4	Very high	94.6	Very high	85 Å²	85	64.5 Å²	64.5	70%	0.702	37%	0.367	S	S	*	.	H	α-helix	trans	-76.2	-33	175.8	0	0	0	0	0	113.6	F272 G273	F272-A276 PolarHBondContact O-N 2.7Å; G273-A276 PolarHBondContact O-N 3.43Å
277	R	92.3	Very high	94.8	Very high	140 Å²	140	60.6 Å²	60.6	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-80.4	-27	178.6	-77.4	-174.6	170	-166	1.5	114.5	M248 G273 P279	M248-R277 PolarHBondContact SD-NE 2.98Å; M248-R277 VanDerWaalsContact SD-NE 3.41Å; M248-R277 PolarHBondContact SD-NH1 3.25Å; M248-R277 VanDerWaalsContact SD-NH1 3.42Å; G273-R277 WeakPolarHBondContact O-CG 3.5Å; G273-R277 PolarHBondContact O-N 2.91Å; G273-R277 VanDerWaalsContact O-N 3.08Å; R277-P279 VanDerWaalsContact C-CD 3.49Å
278	H	93.1	Very high	95	Very high	70 Å²	70	61.4 Å²	61.4	32%	0.324	35%	0.349	S	S	.	.			trans	-132.9	62.1	-176.2	-59.7	-63	0	0	0	111.4	L274 E280 Q281	L274-H278 WeakPolarHBondContact O-CB 3.27Å; L274-H278 PolarHBondContact O-N 2.99Å; L274-H278 VanDerWaalsContact O-N 3.15Å; H278-E280 WeakPolarHBondContact CA-OE1 3.31Å; H278-E280 WeakPolarHBondContact CB-OE1 3.02Å; H278-E280 IonicContact CG-OE1 3.33Å; H278-E280 IonicContact ND1-OE1 3.38Å; H278-E280 PolarHBondContact ND1-OE1 3.36Å; H278-E280 PolarHBondContact O-N 3.41Å; H278-Q281 HydrophobicContact CB-CB 4.27Å; H278-Q281 VanDerWaalsContact CB-CD 3.47Å; H278-Q281 HydrophobicContact CB-CG 3.87Å; H278-Q281 PolarHBondContact O-N 3.42Å
279	P	92	Very high	95	Very high	104 Å²	104	59.5 Å²	59.5	68%	0.675	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.5	-176.5	28.4	-37.4	0	0	0	113.7	R277 Q281	R277-P279 VanDerWaalsContact C-CD 3.49Å; P279-Q281 VanDerWaalsContact C-N 3.32Å
280	E	94.2	Very high	95.1	Very high	131 Å²	131	58.8 Å²	58.8	61%	0.612	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.9	173.9	70.9	-67.1	155.1	0	0	114.3	H278	H278-E280 WeakPolarHBondContact CA-OE1 3.31Å; H278-E280 WeakPolarHBondContact CB-OE1 3.02Å; H278-E280 IonicContact CG-OE1 3.33Å; H278-E280 IonicContact ND1-OE1 3.38Å; H278-E280 PolarHBondContact ND1-OE1 3.36Å; H278-E280 PolarHBondContact O-N 3.41Å
281	Q	91.8	Very high	95.1	Very high	82 Å²	82	56.4 Å²	56.4	38%	0.383	31%	0.31	S	S	.	.	S	Bend	trans	-89.1	123	-178.3	-65.8	177.7	12.3	0	0	111.1	H278 P279	H278-Q281 HydrophobicContact CB-CB 4.27Å; H278-Q281 VanDerWaalsContact CB-CD 3.47Å; H278-Q281 HydrophobicContact CB-CG 3.87Å; H278-Q281 PolarHBondContact O-N 3.42Å; P279-Q281 VanDerWaalsContact C-N 3.32Å
282	P	90.4	Very high	95.2	Very high	126 Å²	126	54.6 Å²	54.6	82%	0.818	30%	0.297	S	S	*	.			trans	-64.4	143.7	175.3	27.8	-34.2	0	0	0	111
283	R	92.5	Very high	95.2	Very high	55 Å²	55	51.8 Å²	51.8	21%	0.208	29%	0.285	C	S	.	.			trans	-117.7	141.9	176.8	-56	-58.5	179.3	-147	3.8	110.1	H245 V246 L274 M288	H245-R283 VanDerWaalsContact O-CD 3.29Å; H245-R283 WeakPolarHBondContact O-CD 3.35Å; H245-R283 PolarHBondContact O-NE 3.28Å; V246-R283 HydrophobicContact CG2-CB 4.38Å; V246-R283 HydrophobicContact CG2-CG 4.34Å; L274-R283 PolarHBondContact O-NH2 3.14Å; R283-M288 HydrophobicContact CB-CE 4.31Å; R283-M288 HydrophobicContact CB-CG 3.9Å; R283-M288 HydrophobicContact CB-SD 3.84Å
284	V	95	Very high	95.2	Very high	94 Å²	94	52.2 Å²	52.2	57%	0.57	29%	0.286	S	S	*	.			trans	-74.1	143.7	174.1	-176	0	0	0	0	108.9	G286 D287 M288	V284-G286 VanDerWaalsContact C-N 3.35Å; V284-G286 PolarHBondContact O-N 3.02Å; V284-D287 HydrophobicContact CB-CB 4.37Å; V284-D287 WeakPolarHBondContact O-CB 3.34Å; V284-D287 PolarHBondContact O-N 3.27Å; V284-M288 PolarHBondContact O-N 2.82Å
285	L	95.9	Very high	95.2	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-42.3	-178.5	-178	61.7	0	0	0	112	L224 F229 M237 D287 M288 V289	L224-L285 HydrophobicContact CB-CD1 4.06Å; F229-L285 HydrophobicContact CD2-CD2 4.29Å; F229-L285 HydrophobicContact CE2-CD2 3.73Å; M237-L285 HydrophobicContact CE-CD2 3.97Å; M237-L285 HydrophobicContact SD-CB 4Å; M237-L285 HydrophobicContact SD-CD2 3.7Å; M237-L285 HydrophobicContact SD-CG 3.6Å; L285-D287 VanDerWaalsContact C-N 3.34Å; L285-D287 PolarHBondContact O-N 3.39Å; L285-M288 HydrophobicContact CD1-CE 4.22Å; L285-M288 PolarHBondContact O-N 2.7Å; L285-V289 HydrophobicContact CD1-CG2 3.98Å; L285-V289 HydrophobicContact CG-CG2 4.16Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.23Å; L285-V289 PolarHBondContact O-N 2.77Å
286	G	96.7	Very high	95.4	Very high	5 Å²	5	51.3 Å²	51.3	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-41.4	176.4	0	0	0	0	0	113.3	V284 M288 V289 K290	V284-G286 VanDerWaalsContact C-N 3.35Å; V284-G286 PolarHBondContact O-N 3.02Å; G286-M288 VanDerWaalsContact C-N 3.33Å; G286-M288 PolarHBondContact O-N 2.7Å; G286-V289 PolarHBondContact O-N 2.92Å; G286-K290 VanDerWaalsContact O-CB 3.25Å; G286-K290 WeakPolarHBondContact O-CB 3.44Å; G286-K290 PolarHBondContact O-N 3.44Å
287	D	97.5	Very high	95.6	Very high	14 Å²	14	47.3 Å²	47.3	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-43.7	176.1	-61.5	3.3	0	0	0	111.4	D242 H245 V246 V284 L285 S291	D242-D287 PolarHBondContact N-OD1 3Å; D242-D287 WeakPolarHBondContact O-CB 3.35Å; H245-D287 IonicContact CE1-OD2 3.32Å; H245-D287 IonicContact CG-OD2 2.71Å; H245-D287 IonicContact ND1-OD2 3.6Å; H245-D287 PolarHBondContact ND1-OD2 3.08Å; V246-D287 HydrophobicContact CG2-CB 3.87Å; V284-D287 HydrophobicContact CB-CB 4.37Å; V284-D287 WeakPolarHBondContact O-CB 3.34Å; V284-D287 PolarHBondContact O-N 3.27Å; L285-D287 VanDerWaalsContact C-N 3.34Å; L285-D287 PolarHBondContact O-N 3.39Å; D287-S291 WeakPolarHBondContact O-CB 3.44Å; D287-S291 PolarHBondContact O-N 3.29Å
288	M	97.7	Very high	95.8	Very high	35 Å²	35	42.2 Å²	42.2	17%	0.172	23%	0.228	C	C	.	.	H	α-helix	trans	-69.8	-40.3	177.4	-65.4	-172.2	-70	0	0	112.4	L224 V246 F272 R283 V284 L285 G286 K290 L292	L224-M288 HydrophobicContact CD1-CB 4.34Å; L224-M288 HydrophobicContact CD2-SD 4.21Å; V246-M288 HydrophobicContact CG1-CG 4.43Å; V246-M288 HydrophobicContact CG2-CG 3.83Å; F272-M288 HydrophobicContact CE1-CB 4.3Å; F272-M288 WeakPolarHBondContact CZ-O 3.49Å; R283-M288 HydrophobicContact CB-CE 4.31Å; R283-M288 HydrophobicContact CB-CG 3.9Å; R283-M288 HydrophobicContact CB-SD 3.84Å; V284-M288 PolarHBondContact O-N 2.82Å; L285-M288 HydrophobicContact CD1-CE 4.22Å; L285-M288 PolarHBondContact O-N 2.7Å; G286-M288 VanDerWaalsContact C-N 3.33Å; G286-M288 PolarHBondContact O-N 2.7Å; M288-K290 VanDerWaalsContact C-N 3.35Å; M288-L292 WeakPolarHBondContact O-CB 3.32Å; M288-L292 PolarHBondContact O-N 3.41Å
289	V	97.4	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.7	-32.6	178.1	177.9	0	0	0	0	110.9	F217 L234 A238 L285 G286 L292 L293	F217-V289 HydrophobicContact CE2-CG1 3.8Å; F217-V289 HydrophobicContact CZ-CG1 3.87Å; L234-V289 HydrophobicContact CB-CG1 4.19Å; L234-V289 HydrophobicContact CD2-CG1 4.13Å; L234-V289 HydrophobicContact CD2-CG2 3.94Å; L234-V289 WeakPolarHBondContact O-CG1 3.39Å; A238-V289 HydrophobicContact CB-CG1 4.24Å; L285-V289 HydrophobicContact CD1-CG2 3.98Å; L285-V289 HydrophobicContact CG-CG2 4.16Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.23Å; L285-V289 PolarHBondContact O-N 2.77Å; G286-V289 PolarHBondContact O-N 2.92Å; V289-L292 WeakPolarHBondContact O-CB 3.32Å; V289-L292 PolarHBondContact O-N 2.95Å; V289-L293 PolarHBondContact O-N 2.96Å
290	K	97.5	Very high	96.2	Very high	34 Å²	34	35.8 Å²	35.8	15%	0.148	19%	0.191	C	C	.	.	H	α-helix	trans	-69.2	-47.1	172	-167.3	171.8	-155.4	148.7	0	112.5	A238 D239 G241 H243 G286 M288 L292 L293 I294 L328	A238-K290 HydrophobicContact CB-CB 4.46Å; A238-K290 WeakPolarHBondContact O-CB 3.32Å; A238-K290 WeakPolarHBondContact O-CD 3.48Å; A238-K290 WeakPolarHBondContact O-CE 3.39Å; A238-K290 WeakPolarHBondContact O-CG 3.27Å; A238-K290 PolarHBondContact O-NZ 2.9Å; D239-K290 PolarHBondContact O-NZ 3.45Å; G241-K290 VanDerWaalsContact C-CD 3.45Å; G241-K290 WeakPolarHBondContact O-CD 3.39Å; G241-K290 WeakPolarHBondContact O-CE 3.43Å; G241-K290 PolarHBondContact O-NZ 3.35Å; H243-K290 HydrophobicContact CB-CG 4.32Å; G286-K290 VanDerWaalsContact O-CB 3.25Å; G286-K290 WeakPolarHBondContact O-CB 3.44Å; G286-K290 PolarHBondContact O-N 3.44Å; M288-K290 VanDerWaalsContact C-N 3.35Å; K290-L292 PolarHBondContact O-N 3.01Å; K290-L293 PolarHBondContact O-N 3.33Å; K290-I294 HydrophobicContact CG-CD1 3.87Å; K290-I294 HydrophobicContact CG-CG1 4.47Å; K290-I294 WeakPolarHBondContact O-CB 3.43Å; K290-I294 VanDerWaalsContact O-CG1 3.27Å; K290-I294 WeakPolarHBondContact O-CG1 3Å; K290-I294 PolarHBondContact O-N 2.81Å; K290-L328 HydrophobicContact CG-CD2 4.22Å
291	S	97.9	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55.4	-41.3	171.2	163.9	0	0	0	0	111.3	V246 D247 F272 D287 I294 T295	V246-S291 WeakPolarHBondContact CG1-OG 3.31Å; D247-S291 WeakPolarHBondContact OD1-CB 3.3Å; D247-S291 PolarHBondContact OD1-OG 3.12Å; F272-S291 WeakPolarHBondContact CD2-OG 3.47Å; F272-S291 WeakPolarHBondContact CE2-OG 3.23Å; F272-S291 WeakPolarHBondContact CZ-OG 3.42Å; D287-S291 WeakPolarHBondContact O-CB 3.44Å; D287-S291 PolarHBondContact O-N 3.29Å; S291-I294 PolarHBondContact O-N 2.92Å; S291-T295 VanDerWaalsContact O-CB 3.23Å; S291-T295 WeakPolarHBondContact O-CB 3.1Å; S291-T295 PolarHBondContact O-N 3.38Å; S291-T295 PolarHBondContact O-OG1 2.82Å
292	L	97.9	Very high	96.6	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-48.3	174.6	-178	62.2	0	0	0	112.5	F217 L220 L224 F272 M288 V289 K290 I294 T295 V296	F217-L292 HydrophobicContact CD2-CB 4.49Å; F217-L292 HydrophobicContact CD2-CD2 4.03Å; F217-L292 HydrophobicContact CD2-CG 3.93Å; F217-L292 WeakPolarHBondContact O-CD2 3.48Å; L220-L292 HydrophobicContact CB-CD1 3.95Å; L220-L292 HydrophobicContact CB-CD2 3.7Å; L220-L292 HydrophobicContact CD1-CD1 3.83Å; L224-L292 HydrophobicContact CD1-CD2 4.28Å; F272-L292 HydrophobicContact CE2-CB 4.32Å; F272-L292 HydrophobicContact CZ-CB 4.01Å; M288-L292 WeakPolarHBondContact O-CB 3.32Å; M288-L292 PolarHBondContact O-N 3.41Å; V289-L292 WeakPolarHBondContact O-CB 3.32Å; V289-L292 PolarHBondContact O-N 2.95Å; K290-L292 PolarHBondContact O-N 3.01Å; L292-I294 VanDerWaalsContact C-N 3.34Å; L292-I294 PolarHBondContact O-N 2.89Å; L292-T295 PolarHBondContact O-N 3.36Å; L292-V296 HydrophobicContact CD1-CG2 4.35Å; L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 2.61Å
293	L	97.4	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-45.4	178	-170.9	74.1	0	0	0	111.3	F217 L235 A238 V289 K290 S297 F322 L328	F217-L293 HydrophobicContact CD2-CB 4.06Å; F217-L293 HydrophobicContact CD2-CD1 3.77Å; F217-L293 HydrophobicContact CE1-CD1 4.48Å; F217-L293 HydrophobicContact CE2-CB 3.76Å; F217-L293 HydrophobicContact CE2-CD1 3.67Å; F217-L293 HydrophobicContact CE2-CG 4.32Å; F217-L293 HydrophobicContact CG-CD1 4.26Å; F217-L293 HydrophobicContact CZ-CD1 4.04Å; L235-L293 HydrophobicContact CD2-CD1 3.65Å; L235-L293 HydrophobicContact CD2-CD2 4.42Å; A238-L293 HydrophobicContact CB-CB 4.21Å; A238-L293 HydrophobicContact CB-CD2 3.76Å; V289-L293 PolarHBondContact O-N 2.96Å; K290-L293 PolarHBondContact O-N 3.33Å; L293-S297 VanDerWaalsContact O-CB 3.22Å; L293-S297 WeakPolarHBondContact O-CB 3.4Å; L293-S297 PolarHBondContact O-N 2.98Å; L293-S297 PolarHBondContact O-OG 2.78Å; L293-F322 HydrophobicContact CD1-CE2 4.18Å; L293-F322 HydrophobicContact CD1-CZ 3.72Å; L293-L328 HydrophobicContact CD2-CB 4.35Å; L293-L328 HydrophobicContact CD2-CD2 3.7Å; L293-L328 HydrophobicContact CD2-CG 3.84Å
294	I	97.6	Very high	97.3	Very high	15 Å²	15	21.8 Å²	21.8	8%	0.077	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-43.8	178.1	-69.9	168.3	0	0	0	110.4	H243 I268 K290 S291 L292 S297 N298 V332	H243-I294 HydrophobicContact CB-CD1 3.76Å; I268-I294 HydrophobicContact CD1-CG2 3.52Å; K290-I294 HydrophobicContact CG-CD1 3.87Å; K290-I294 HydrophobicContact CG-CG1 4.47Å; K290-I294 WeakPolarHBondContact O-CB 3.43Å; K290-I294 VanDerWaalsContact O-CG1 3.27Å; K290-I294 WeakPolarHBondContact O-CG1 3Å; K290-I294 PolarHBondContact O-N 2.81Å; S291-I294 PolarHBondContact O-N 2.92Å; L292-I294 VanDerWaalsContact C-N 3.34Å; L292-I294 PolarHBondContact O-N 2.89Å; I294-S297 PolarHBondContact O-N 3Å; I294-N298 WeakPolarHBondContact CG2-ND2 3.22Å; I294-N298 WeakPolarHBondContact O-CB 3.46Å; I294-N298 PolarHBondContact O-N 3.25Å; I294-N298 PolarHBondContact O-ND2 2.86Å; I294-V332 HydrophobicContact CG1-CG2 3.94Å; I294-V332 HydrophobicContact CG2-CG1 4.37Å
295	T	97.8	Very high	97.4	Very high	38 Å²	38	17.4 Å²	17.4	23%	0.233	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-45.9	180	-62.9	0	0	0	0	112.2	S271 S291 L292 N299	S271-T295 WeakPolarHBondContact CB-OG1 3.22Å; S271-T295 WeakPolarHBondContact OG-CG2 3.3Å; S271-T295 PolarHBondContact OG-OG1 3.08Å; S291-T295 VanDerWaalsContact O-CB 3.23Å; S291-T295 WeakPolarHBondContact O-CB 3.1Å; S291-T295 PolarHBondContact O-N 3.38Å; S291-T295 PolarHBondContact O-OG1 2.82Å; L292-T295 PolarHBondContact O-N 3.36Å; T295-N299 WeakPolarHBondContact O-CB 3.41Å; T295-N299 PolarHBondContact O-N 3.48Å
296	V	97.5	Very high	97.4	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-50.4	176.2	171.3	0	0	0	0	110.2	I212 F217 L292 N299 I300 F322	I212-V296 HydrophobicContact CG2-CB 4.41Å; I212-V296 HydrophobicContact CG2-CG1 4.37Å; I212-V296 HydrophobicContact CG2-CG2 4.05Å; F217-V296 HydrophobicContact CB-CG2 4.32Å; L292-V296 HydrophobicContact CD1-CG2 4.35Å; L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 2.61Å; V296-N299 PolarHBondContact O-N 2.84Å; V296-I300 HydrophobicContact CG1-CD1 3.68Å; V296-I300 WeakPolarHBondContact O-CD1 3.18Å; V296-I300 VanDerWaalsContact O-CG1 3.25Å; V296-I300 WeakPolarHBondContact O-CG1 2.94Å; V296-I300 PolarHBondContact O-N 2.93Å; V296-I300 VanDerWaalsContact O-N 3.1Å; V296-F322 HydrophobicContact CG1-CE1 4.36Å; V296-F322 HydrophobicContact CG1-CZ 4.07Å
297	S	97.3	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.6	-39.1	-175	-57.6	0	0	0	0	113.2	L293 I294 I300 G301	L293-S297 VanDerWaalsContact O-CB 3.22Å; L293-S297 WeakPolarHBondContact O-CB 3.4Å; L293-S297 PolarHBondContact O-N 2.98Å; L293-S297 PolarHBondContact O-OG 2.78Å; I294-S297 PolarHBondContact O-N 3Å; S297-I300 PolarHBondContact O-N 2.85Å; S297-G301 PolarHBondContact O-N 3.39Å
298	N	96	Very high	97.5	Very high	33 Å²	33	21.4 Å²	21.4	18%	0.176	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-42.7	174	-85.4	-32.7	0	0	0	111.9	I294 I300 G301 Q302 V332	I294-N298 WeakPolarHBondContact CG2-ND2 3.22Å; I294-N298 WeakPolarHBondContact O-CB 3.46Å; I294-N298 PolarHBondContact O-N 3.25Å; I294-N298 PolarHBondContact O-ND2 2.86Å; N298-I300 VanDerWaalsContact C-N 3.31Å; N298-I300 PolarHBondContact O-N 2.9Å; N298-G301 PolarHBondContact O-N 3.23Å; N298-Q302 VanDerWaalsContact O-CB 3.27Å; N298-Q302 WeakPolarHBondContact O-CB 3.29Å; N298-Q302 PolarHBondContact O-N 3.21Å; N298-V332 HydrophobicContact CB-CG1 4.39Å; N298-V332 VanDerWaalsContact OD1-CG1 3.3Å; N298-V332 WeakPolarHBondContact OD1-CG1 3.35Å
299	N	97.1	Very high	97.5	Very high	40 Å²	40	23.9 Å²	23.9	21%	0.214	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-41.9	177.8	-176.8	-109.7	0	0	0	111.4	I212 T295 V296 L303	I212-N299 HydrophobicContact CG2-CB 4.48Å; T295-N299 WeakPolarHBondContact O-CB 3.41Å; T295-N299 PolarHBondContact O-N 3.48Å; V296-N299 PolarHBondContact O-N 2.84Å; N299-L303 WeakPolarHBondContact O-CB 3.28Å; N299-L303 VanDerWaalsContact O-CG 3.29Å; N299-L303 WeakPolarHBondContact O-CG 3.43Å; N299-L303 PolarHBondContact O-N 2.89Å; N299-L303 WeakPolarHBondContact OD1-CD1 3.48Å
300	I	98.1	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-48	177.4	-66.8	165.8	0	0	0	111.2	V187 V189 V193 V296 S297 N298 L303 A304 F318	V187-I300 HydrophobicContact CG1-CG2 4.2Å; V189-I300 HydrophobicContact CG1-CD1 3.73Å; V189-I300 HydrophobicContact CG2-CG2 4.02Å; V193-I300 HydrophobicContact CG2-CD1 3.93Å; V193-I300 HydrophobicContact CG2-CG1 4Å; V296-I300 HydrophobicContact CG1-CD1 3.68Å; V296-I300 WeakPolarHBondContact O-CD1 3.18Å; V296-I300 VanDerWaalsContact O-CG1 3.25Å; V296-I300 WeakPolarHBondContact O-CG1 2.94Å; V296-I300 PolarHBondContact O-N 2.93Å; V296-I300 VanDerWaalsContact O-N 3.1Å; S297-I300 PolarHBondContact O-N 2.85Å; N298-I300 VanDerWaalsContact C-N 3.31Å; N298-I300 PolarHBondContact O-N 2.9Å; I300-L303 PolarHBondContact O-N 3.49Å; I300-A304 VanDerWaalsContact O-CB 3.3Å; I300-A304 WeakPolarHBondContact O-CB 3.47Å; I300-A304 PolarHBondContact O-N 3.47Å; I300-F318 HydrophobicContact CG2-CD1 4.43Å; I300-F318 HydrophobicContact CG2-CE1 4.02Å
301	G	97.2	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-37	178.3	0	0	0	0	0	113.6	S297 N298 C305	S297-G301 PolarHBondContact O-N 3.39Å; N298-G301 PolarHBondContact O-N 3.23Å; G301-C305 PolarHBondContact O-N 2.73Å
302	Q	96.8	Very high	97.3	Very high	60 Å²	60	36.3 Å²	36.3	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-62.9	-51.1	173.3	-175.2	-179.5	30.4	0	0	111.5	N298 A304 C305 L306 W340	N298-Q302 VanDerWaalsContact O-CB 3.27Å; N298-Q302 WeakPolarHBondContact O-CB 3.29Å; N298-Q302 PolarHBondContact O-N 3.21Å; Q302-A304 VanDerWaalsContact C-N 3.33Å; Q302-A304 PolarHBondContact O-N 3.4Å; Q302-C305 PolarHBondContact O-N 2.95Å; Q302-L306 HydrophobicContact CG-CD1 4.29Å; Q302-L306 WeakPolarHBondContact O-CG 3.48Å; Q302-L306 PolarHBondContact O-N 3.37Å; Q302-W340 HydrophobicContact CB-CG 4.28Å; Q302-W340 HydrophobicContact CG-CD2 3.93Å; Q302-W340 HydrophobicContact CG-CG 4.01Å; Q302-W340 HydrophobicContact CG-CZ2 4.28Å
303	L	98.2	Very high	97.1	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-40.1	178.1	-72	171.8	0	0	0	111.7	F195 T210 N299 I300 C305 L306 Y307	F195-L303 HydrophobicContact CE1-CB 4.09Å; F195-L303 HydrophobicContact CE2-CB 4.11Å; F195-L303 HydrophobicContact CE2-CD1 4.43Å; F195-L303 HydrophobicContact CZ-CB 3.52Å; F195-L303 HydrophobicContact CZ-CD1 4.31Å; T210-L303 HydrophobicContact CG2-CD1 3.68Å; N299-L303 WeakPolarHBondContact O-CB 3.28Å; N299-L303 VanDerWaalsContact O-CG 3.29Å; N299-L303 WeakPolarHBondContact O-CG 3.43Å; N299-L303 PolarHBondContact O-N 2.89Å; N299-L303 WeakPolarHBondContact OD1-CD1 3.48Å; I300-L303 PolarHBondContact O-N 3.49Å; L303-C305 VanDerWaalsContact C-N 3.34Å; L303-C305 PolarHBondContact O-N 2.84Å; L303-L306 PolarHBondContact O-N 3.02Å; L303-Y307 HydrophobicContact CB-CE2 4.48Å; L303-Y307 WeakPolarHBondContact O-CD2 3.33Å; L303-Y307 PolarHBondContact O-N 2.77Å
304	A	98.2	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-46.1	174.2	0	0	0	0	0	111.6	L185 V187 F195 I300 Q302 L306 A308 I316 F318	L185-A304 WeakPolarHBondContact CD2-O 3.46Å; V187-A304 HydrophobicContact CG2-CB 4.03Å; F195-A304 HydrophobicContact CD1-CB 4.44Å; F195-A304 HydrophobicContact CE1-CB 3.94Å; I300-A304 VanDerWaalsContact O-CB 3.3Å; I300-A304 WeakPolarHBondContact O-CB 3.47Å; I300-A304 PolarHBondContact O-N 3.47Å; Q302-A304 VanDerWaalsContact C-N 3.33Å; Q302-A304 PolarHBondContact O-N 3.4Å; A304-L306 PolarHBondContact O-N 2.83Å; A304-A308 WeakPolarHBondContact O-CB 3.27Å; A304-A308 PolarHBondContact O-N 3.45Å; A304-I316 HydrophobicContact CB-CG2 4.03Å; A304-F318 HydrophobicContact CB-CE1 3.84Å; A304-F318 HydrophobicContact CB-CZ 3.59Å
305	C	97.4	Very high	96.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-37	176.3	-171.8	0	0	0	0	112.7	G301 Q302 L303 A308 K309 W340 S341	G301-C305 PolarHBondContact O-N 2.73Å; Q302-C305 PolarHBondContact O-N 2.95Å; L303-C305 VanDerWaalsContact C-N 3.34Å; L303-C305 PolarHBondContact O-N 2.84Å; C305-A308 PolarHBondContact O-N 2.81Å; C305-K309 WeakPolarHBondContact O-CG 3.34Å; C305-K309 PolarHBondContact O-N 3.43Å; C305-W340 HydrophobicContact CB-CB 3.89Å; C305-W340 PolarHBondContact SG-O 3.44Å; C305-S341 PolarHBondContact SG-N 3.27Å; C305-S341 VanDerWaalsContact SG-N 3.4Å
306	L	97.3	Very high	96.3	Very high	97 Å²	97	42.5 Å²	42.5	51%	0.508	22%	0.216	S	C	.	.	H	α-helix	trans	-66.4	-48.2	177.3	-71.7	169.8	0	0	0	111.7	Q302 L303 A304 A308 K309 Q310	Q302-L306 HydrophobicContact CG-CD1 4.29Å; Q302-L306 WeakPolarHBondContact O-CG 3.48Å; Q302-L306 PolarHBondContact O-N 3.37Å; L303-L306 PolarHBondContact O-N 3.02Å; A304-L306 PolarHBondContact O-N 2.83Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 3.24Å; L306-K309 PolarHBondContact O-N 3.35Å; L306-Q310 VanDerWaalsContact O-CB 3.3Å; L306-Q310 WeakPolarHBondContact O-CB 3.33Å; L306-Q310 PolarHBondContact O-N 2.6Å
307	Y	98.1	Very high	96.3	Very high	46 Å²	46	42.5 Å²	42.5	18%	0.18	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-36.5	175	-74.1	-62.7	0	0	0	112.2	F195 V207 L303 Q310 H311	F195-Y307 HydrophobicContact CB-CD2 3.89Å; F195-Y307 HydrophobicContact CB-CE2 4.32Å; F195-Y307 HydrophobicContact CB-CG 4.27Å; F195-Y307 AromaticContact CD1-CD2 3.78Å; F195-Y307 HydrophobicContact CD1-CD2 3.78Å; F195-Y307 HydrophobicContact CD1-CE2 4.42Å; F195-Y307 AromaticContact CD2-CD2 3.61Å; F195-Y307 HydrophobicContact CD2-CD2 3.61Å; F195-Y307 AromaticContact CD2-CE2 3.42Å; F195-Y307 HydrophobicContact CD2-CE2 3.42Å; F195-Y307 VanDerWaalsContact CD2-CE2 3.42Å; F195-Y307 HydrophobicContact CE1-CD2 4.23Å; F195-Y307 HydrophobicContact CE2-CD2 4.08Å; F195-Y307 AromaticContact CE2-CE2 3.78Å; F195-Y307 HydrophobicContact CE2-CE2 3.78Å; F195-Y307 AromaticContact CG-CD2 3.48Å; F195-Y307 HydrophobicContact CG-CD2 3.48Å; F195-Y307 VanDerWaalsContact CG-CD2 3.48Å; F195-Y307 AromaticContact CG-CE2 3.82Å; F195-Y307 HydrophobicContact CG-CE2 3.82Å; F195-Y307 HydrophobicContact CG-CG 4.31Å; F195-Y307 HydrophobicContact CZ-CD2 4.38Å; F195-Y307 HydrophobicContact CZ-CE2 4.42Å; V207-Y307 HydrophobicContact CB-CD1 4.26Å; V207-Y307 HydrophobicContact CG2-CD1 3.85Å; V207-Y307 HydrophobicContact CG2-CG 4.11Å; V207-Y307 WeakPolarHBondContact O-CE1 3.48Å; L303-Y307 HydrophobicContact CB-CE2 4.48Å; L303-Y307 WeakPolarHBondContact O-CD2 3.33Å; L303-Y307 PolarHBondContact O-N 2.77Å; Y307-Q310 PolarHBondContact O-N 3.35Å; Y307-H311 PolarHBondContact O-CD2 3.12Å; Y307-H311 VanDerWaalsContact O-CD2 3.29Å; Y307-H311 PolarHBondContact O-N 3.4Å; Y307-H311 VanDerWaalsContact O-N 3.09Å
308	A	97.3	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-50.2	175	0	0	0	0	0	111.7	L185 A304 C305 L306 H311 S312 L313 I316 Y345	L185-A308 HydrophobicContact CD2-CB 4.26Å; A304-A308 WeakPolarHBondContact O-CB 3.27Å; A304-A308 PolarHBondContact O-N 3.45Å; C305-A308 PolarHBondContact O-N 2.81Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 3.24Å; A308-H311 PolarHBondContact O-N 2.64Å; A308-S312 PolarHBondContact O-N 3.43Å; A308-S312 VanDerWaalsContact O-N 3.07Å; A308-L313 WeakPolarHBondContact CB-O 3.41Å; A308-L313 PolarHBondContact O-N 3.16Å; A308-I316 HydrophobicContact CB-CD1 3.59Å; A308-I316 HydrophobicContact CB-CG1 3.87Å; A308-Y345 HydrophobicContact CB-CD2 4.09Å; A308-Y345 HydrophobicContact CB-CE2 3.79Å
309	K	96.6	Very high	96.1	Very high	87 Å²	87	41 Å²	41	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-61.3	-44.4	175.2	-73.1	-174.5	171.7	178.3	0	112.1	C305 L306 H311 S312 W340 S341 Y345	C305-K309 WeakPolarHBondContact O-CG 3.34Å; C305-K309 PolarHBondContact O-N 3.43Å; L306-K309 PolarHBondContact O-N 3.35Å; K309-H311 VanDerWaalsContact C-N 3.27Å; K309-H311 PolarHBondContact O-N 2.89Å; K309-S312 PolarHBondContact O-N 2.87Å; K309-W340 PolarHBondContact NZ-O 3.39Å; K309-S341 PolarHBondContact NZ-O 2.87Å; K309-Y345 HydrophobicContact CG-CE2 3.71Å; K309-Y345 WeakPolarHBondContact CG-OH 3.46Å
310	Q	97.2	Very high	95.8	Very high	137 Å²	137	39.2 Å²	39.2	64%	0.64	20%	0.199	S	C	*	.	H	α-helix	trans	-62.5	-30.5	-179.6	-179.8	176.1	-13.9	0	0	113.6	L306 Y307	L306-Q310 VanDerWaalsContact O-CB 3.3Å; L306-Q310 WeakPolarHBondContact O-CB 3.33Å; L306-Q310 PolarHBondContact O-N 2.6Å; Y307-Q310 PolarHBondContact O-N 3.35Å
311	H	96.9	Very high	95.3	Very high	48 Å²	48	40.6 Å²	40.6	22%	0.222	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	11.5	-178	-68	-75.1	0	0	0	114.1	K197 V207 Y307 A308 K309 L313	K197-H311 HydrophobicContact CD-CB 4.45Å; V207-H311 WeakPolarHBondContact CB-NE2 3.1Å; V207-H311 WeakPolarHBondContact CG1-NE2 3.42Å; Y307-H311 PolarHBondContact O-CD2 3.12Å; Y307-H311 VanDerWaalsContact O-CD2 3.29Å; Y307-H311 PolarHBondContact O-N 3.4Å; Y307-H311 VanDerWaalsContact O-N 3.09Å; A308-H311 PolarHBondContact O-N 2.64Å; K309-H311 VanDerWaalsContact C-N 3.27Å; K309-H311 PolarHBondContact O-N 2.89Å; H311-L313 HydrophobicContact CB-CD1 3.9Å; H311-L313 HydrophobicContact CB-CG 4Å; H311-L313 PolarHBondContact O-N 3.08Å
312	S	95.9	Very high	94.9	Very high	110 Å²	110	40.7 Å²	40.7	77%	0.769	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	44.4	-178.6	-55	0	0	0	0	113.8	A308 K309	A308-S312 PolarHBondContact O-N 3.43Å; A308-S312 VanDerWaalsContact O-N 3.07Å; K309-S312 PolarHBondContact O-N 2.87Å
313	L	94.3	Very high	94.5	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.192	C	C	.	.			trans	-107.3	123.9	-178.8	-55.9	171.7	0	0	0	110.2	P183 L185 K197 A308 H311	P183-L313 HydrophobicContact CB-CD2 3.85Å; P183-L313 HydrophobicContact CG-CD2 4.07Å; L185-L313 HydrophobicContact CB-CD1 3.8Å; L185-L313 HydrophobicContact CD1-CD1 3.94Å; L185-L313 HydrophobicContact CG-CD1 4.47Å; K197-L313 HydrophobicContact CB-CD1 4.26Å; K197-L313 HydrophobicContact CG-CD1 4.02Å; K197-L313 HydrophobicContact CG-CD2 4.36Å; A308-L313 WeakPolarHBondContact CB-O 3.41Å; A308-L313 PolarHBondContact O-N 3.16Å; H311-L313 HydrophobicContact CB-CD1 3.9Å; H311-L313 HydrophobicContact CB-CG 4Å; H311-L313 PolarHBondContact O-N 3.08Å
314	T	88.5	Confident	93.5	Very high	88 Å²	88	37.6 Å²	37.6	54%	0.54	19%	0.188	S	C	.	.			trans	-93.1	-14.3	177.1	55.2	0	0	0	0	113.7	Y345	T314-Y345 HydrophobicContact CG2-CE1 4.08Å
315	R	91.2	Very high	92.4	Very high	100 Å²	100	38.3 Å²	38.3	38%	0.377	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.3	-177.5	-64.1	172.9	-179.2	164.5	-3.4	109.9	S180 T181 F182 F184 L185	S180-R315 PolarHBondContact O-NH1 2.85Å; T181-R315 VanDerWaalsContact O-CD 3.3Å; T181-R315 WeakPolarHBondContact O-CD 3.33Å; T181-R315 PolarHBondContact O-NH1 3.22Å; F182-R315 PolarHBondContact O-NH1 2.73Å; F184-R315 HydrophobicContact CB-CB 3.89Å; L185-R315 PolarHBondContact N-O 3.26Å
316	I	96.3	Very high	91.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.3	176.8	-51.9	178.8	0	0	0	108.2	L185 V187 A304 A308 F318 V337 Y345 L348	L185-I316 HydrophobicContact CD2-CG2 4.36Å; V187-I316 HydrophobicContact CG2-CG2 3.78Å; A304-I316 HydrophobicContact CB-CG2 4.03Å; A308-I316 HydrophobicContact CB-CD1 3.59Å; A308-I316 HydrophobicContact CB-CG1 3.87Å; I316-F318 HydrophobicContact CB-CE2 4.2Å; I316-F318 HydrophobicContact CG2-CD2 4.05Å; I316-F318 HydrophobicContact CG2-CE1 4.4Å; I316-F318 HydrophobicContact CG2-CE2 3.37Å; I316-F318 HydrophobicContact CG2-CZ 3.58Å; I316-V337 HydrophobicContact CD1-CG1 4.05Å; I316-V337 HydrophobicContact CD1-CG2 4.49Å; I316-Y345 HydrophobicContact CD1-CD2 4.05Å; I316-L348 WeakPolarHBondContact O-CB 3.23Å; I316-L348 PolarHBondContact O-N 2.74Å
317	I	96	Very high	91.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117	177.6	-53.3	-175.8	0	0	0	108	L153 L160 F184 L185 L186 V187 L348 L350	L153-I317 HydrophobicContact CD1-CD1 3.91Å; L160-I317 HydrophobicContact CD1-CD1 4.15Å; L160-I317 HydrophobicContact CD1-CG1 4.3Å; L160-I317 HydrophobicContact CD1-CG2 4.18Å; F184-I317 HydrophobicContact CB-CD1 4.27Å; F184-I317 HydrophobicContact CB-CG1 4.42Å; F184-I317 HydrophobicContact CD1-CD1 4.44Å; F184-I317 HydrophobicContact CD2-CB 4.33Å; F184-I317 HydrophobicContact CD2-CD1 3.69Å; F184-I317 HydrophobicContact CD2-CG1 4.08Å; F184-I317 HydrophobicContact CE2-CD1 4.02Å; F184-I317 HydrophobicContact CG-CD1 3.92Å; F184-I317 HydrophobicContact CG-CG1 4.44Å; L185-I317 PolarHBondContact O-N 2.79Å; L186-I317 CarbonylContact C-O 3.25Å; L186-I317 WeakPolarHBondContact CA-O 3.34Å; L186-I317 HydrophobicContact CD1-CB 4.39Å; L186-I317 HydrophobicContact CD1-CG2 4.27Å; V187-I317 PolarHBondContact N-O 2.72Å; I317-L348 HydrophobicContact CG1-CB 4.34Å; I317-L348 HydrophobicContact CG1-CD1 4.27Å; I317-L350 HydrophobicContact CG2-CD1 3.64Å; I317-L350 HydrophobicContact CG2-CD2 4.05Å; I317-L350 HydrophobicContact CG2-CG 3.66Å
318	F	96.8	Very high	91.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	146.7	172.4	-64.9	-91.7	0	0	0	109.8	V187 V189 I300 A304 I316 I323 I333 V337 A347 L348 F349	V187-F318 HydrophobicContact CB-CD1 3.61Å; V187-F318 HydrophobicContact CB-CE1 3.87Å; V187-F318 HydrophobicContact CB-CG 4.28Å; V187-F318 HydrophobicContact CG1-CD1 3.72Å; V187-F318 HydrophobicContact CG1-CE1 3.76Å; V187-F318 HydrophobicContact CG2-CD1 4.17Å; V187-F318 HydrophobicContact CG2-CE1 4.01Å; V187-F318 HydrophobicContact CG2-CZ 4.45Å; V189-F318 HydrophobicContact CG2-CD1 4.45Å; I300-F318 HydrophobicContact CG2-CD1 4.43Å; I300-F318 HydrophobicContact CG2-CE1 4.02Å; A304-F318 HydrophobicContact CB-CE1 3.84Å; A304-F318 HydrophobicContact CB-CZ 3.59Å; I316-F318 HydrophobicContact CB-CE2 4.2Å; I316-F318 HydrophobicContact CG2-CD2 4.05Å; I316-F318 HydrophobicContact CG2-CE1 4.4Å; I316-F318 HydrophobicContact CG2-CE2 3.37Å; I316-F318 HydrophobicContact CG2-CZ 3.58Å; F318-I323 HydrophobicContact CB-CD1 3.72Å; F318-I333 HydrophobicContact CD1-CD1 4.49Å; F318-I333 HydrophobicContact CD1-CG2 3.87Å; F318-I333 HydrophobicContact CD2-CG2 3.8Å; F318-I333 HydrophobicContact CE1-CG2 3.6Å; F318-I333 HydrophobicContact CE2-CG2 3.52Å; F318-I333 HydrophobicContact CG-CG2 3.97Å; F318-I333 HydrophobicContact CZ-CG2 3.42Å; F318-I333 VanDerWaalsContact CZ-CG2 3.42Å; F318-V337 HydrophobicContact CE2-CG2 3.95Å; F318-V337 HydrophobicContact CZ-CG2 3.73Å; F318-A347 HydrophobicContact CD2-CB 3.93Å; F318-A347 HydrophobicContact CE2-CB 3.59Å; F318-L348 PolarHBondContact N-O 2.82Å; F318-F349 HydrophobicContact CB-CD1 3.84Å; F318-F349 HydrophobicContact CB-CE1 3.88Å; F318-F349 HydrophobicContact CD2-CE1 4.22Å; F318-F349 HydrophobicContact CG-CE1 4.18Å
319	G	92.9	Very high	91	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-169.4	169.5	0	0	0	0	0	111.2	V187 V189	V187-G319 PolarHBondContact O-N 3.16Å; V189-G319 PolarHBondContact N-O 2.76Å
320	G	91.4	Very high	91	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	93.5	149.2	-177.9	0	0	0	0	0	114	N188 V189 F322 I323 E353	N188-G320 WeakPolarHBondContact OD1-CA 3.44Å; V189-G320 CarbonylContact O-C 3.57Å; V189-G320 VanDerWaalsContact O-C 3.25Å; V189-G320 WeakPolarHBondContact O-CA 3.46Å; G320-F322 PolarHBondContact O-N 3Å; G320-I323 PolarHBondContact O-N 3.27Å; G320-E353 WeakPolarHBondContact CA-O 3.26Å; G320-E353 PolarHBondContact N-O 3.1Å
321	Y	87.2	Confident	90.9	Very high	28 Å²	28	25.4 Å²	25.4	11%	0.11	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	18.2	-166.9	-134.3	-71.8	0	0	0	115.5	L34 K83 V189 R324 Y355	L34-Y321 HydrophobicContact CD1-CD1 3.32Å; L34-Y321 HydrophobicContact CD1-CD2 4.26Å; L34-Y321 HydrophobicContact CD1-CE1 4.06Å; L34-Y321 HydrophobicContact CD1-CG 3.52Å; K83-Y321 HydrophobicContact CD-CE1 3.75Å; K83-Y321 HydrophobicContact CD-CE2 4Å; K83-Y321 WeakPolarHBondContact CD-OH 3.43Å; K83-Y321 PolarHBondContact NZ-OH 2.88Å; V189-Y321 PolarHBondContact O-N 3.32Å; Y321-R324 HydrophobicContact CD1-CG 3.75Å; Y321-R324 HydrophobicContact CE1-CG 3.75Å; Y321-R324 WeakPolarHBondContact O-CG 3.4Å; Y321-R324 PolarHBondContact O-NE 2.92Å; Y321-Y355 HydrophobicContact CE2-CE1 4.5Å; Y321-Y355 HydrophobicContact CE2-CE2 4.1Å
322	F	88.4	Confident	90.9	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.013	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-35.6	165.4	174.1	-113.2	0	0	0	112.3	V189 F217 F231 L293 V296 G320 T329	V189-F322 HydrophobicContact CB-CB 4.16Å; V189-F322 HydrophobicContact CB-CD1 4.44Å; V189-F322 HydrophobicContact CG1-CB 3.61Å; V189-F322 HydrophobicContact CG1-CD1 3.49Å; V189-F322 VanDerWaalsContact CG1-CD1 3.49Å; V189-F322 HydrophobicContact CG1-CE1 4.41Å; V189-F322 HydrophobicContact CG1-CG 3.82Å; V189-F322 VanDerWaalsContact O-CB 3.32Å; V189-F322 WeakPolarHBondContact O-CB 3.21Å; V189-F322 PolarHBondContact O-N 3.18Å; F217-F322 HydrophobicContact CB-CE2 3.77Å; F217-F322 HydrophobicContact CB-CZ 4.35Å; F217-F322 AromaticContact CD1-CE2 3.97Å; F217-F322 HydrophobicContact CD1-CE2 3.97Å; F217-F322 AromaticContact CG-CE2 3.92Å; F217-F322 HydrophobicContact CG-CE2 3.92Å; F231-F322 HydrophobicContact CE2-CD2 4.07Å; F231-F322 HydrophobicContact CE2-CE2 4.45Å; F231-F322 AromaticContact CZ-CD2 3.75Å; F231-F322 HydrophobicContact CZ-CD2 3.75Å; F231-F322 HydrophobicContact CZ-CE2 4.24Å; L293-F322 HydrophobicContact CD1-CE2 4.18Å; L293-F322 HydrophobicContact CD1-CZ 3.72Å; V296-F322 HydrophobicContact CG1-CE1 4.36Å; V296-F322 HydrophobicContact CG1-CZ 4.07Å; G320-F322 PolarHBondContact O-N 3Å; F322-T329 HydrophobicContact CD1-CG2 3.91Å; F322-T329 HydrophobicContact CE1-CG2 3.48Å; F322-T329 VanDerWaalsContact CE1-CG2 3.48Å; F322-T329 HydrophobicContact CZ-CG2 4.14Å
323	I	88	Confident	90.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-51.7	-168.8	-58.7	167.8	0	0	0	109.9	V189 F318 G320 G325 H326 M330 I333 F349 E353	V189-I323 HydrophobicContact CG2-CD1 4.35Å; F318-I323 HydrophobicContact CB-CD1 3.72Å; G320-I323 PolarHBondContact O-N 3.27Å; I323-G325 PolarHBondContact O-N 3.42Å; I323-G325 VanDerWaalsContact O-N 3.16Å; I323-H326 WeakPolarHBondContact O-CB 3.33Å; I323-H326 PolarHBondContact O-N 2.9Å; I323-M330 HydrophobicContact CG2-CG 3.53Å; I323-M330 HydrophobicContact CG2-SD 4.02Å; I323-I333 HydrophobicContact CG1-CD1 4.39Å; I323-F349 HydrophobicContact CD1-CD1 4.18Å; I323-F349 HydrophobicContact CD1-CE1 4.35Å; I323-F349 HydrophobicContact CG2-CD1 4.1Å; I323-F349 HydrophobicContact CG2-CE1 4.36Å; I323-E353 WeakPolarHBondContact CB-OE1 3.08Å; I323-E353 WeakPolarHBondContact CB-OE2 3.4Å; I323-E353 WeakPolarHBondContact CG2-OE2 3.17Å
324	R	78.9	Confident	91	Very high	34 Å²	34	18.9 Å²	18.9	13%	0.128	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	25.5	173.5	-50.7	-171.8	-177.5	-161.3	4.5	114.8	D232 Y321 H326 E353	D232-R324 IonicContact OD1-CZ 3.08Å; D232-R324 IonicContact OD1-NE 2.69Å; D232-R324 IonicContact OD1-NH1 3.01Å; D232-R324 PolarHBondContact OD1-NH1 2.78Å; D232-R324 IonicContact OD2-CZ 3.39Å; D232-R324 IonicContact OD2-NH1 2.79Å; D232-R324 PolarHBondContact OD2-NH1 2.72Å; Y321-R324 HydrophobicContact CD1-CG 3.75Å; Y321-R324 HydrophobicContact CE1-CG 3.75Å; Y321-R324 WeakPolarHBondContact O-CG 3.4Å; Y321-R324 PolarHBondContact O-NE 2.92Å; R324-H326 PolarHBondContact O-N 3.44Å; R324-E353 VanDerWaalsContact CA-OE1 3.23Å; R324-E353 WeakPolarHBondContact CA-OE1 3.42Å; R324-E353 PolarHBondContact N-OE1 3.21Å
325	G	74.9	Confident	91.4	Very high	16 Å²	16	20 Å²	20	17%	0.165	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	21.4	-168.4	0	0	0	0	0	114.4	I323 G327 M330 E353	I323-G325 PolarHBondContact O-N 3.42Å; I323-G325 VanDerWaalsContact O-N 3.16Å; G325-G327 PolarHBondContact O-N 3.17Å; G325-M330 VanDerWaalsContact O-CE 3.3Å; G325-M330 WeakPolarHBondContact O-CE 3.49Å; G325-E353 PolarHBondContact N-OE1 3.46Å; G325-E353 VanDerWaalsContact N-OE1 3.11Å
326	H	85.9	Confident	91.6	Very high	11 Å²	11	15.2 Å²	15.2	5%	0.051	8%	0.075	C	C	.	.			trans	-74.9	114.1	-179.2	-168.3	-102.3	0	0	0	111	L235 D239 I323 R324 L328 T329 M330	L235-H326 HydrophobicContact CD1-CB 4.22Å; D239-H326 IonicContact OD1-CE1 3.4Å; D239-H326 PolarHBondContact OD1-CE1 3Å; D239-H326 IonicContact OD1-NE2 2.75Å; D239-H326 IonicContact OD2-NE2 3.83Å; I323-H326 WeakPolarHBondContact O-CB 3.33Å; I323-H326 PolarHBondContact O-N 2.9Å; R324-H326 PolarHBondContact O-N 3.44Å; H326-L328 PolarHBondContact O-N 3.24Å; H326-T329 PolarHBondContact ND1-OG1 3.43Å; H326-T329 VanDerWaalsContact ND1-OG1 3.1Å; H326-T329 WeakPolarHBondContact O-CB 2.95Å; H326-T329 PolarHBondContact O-N 3.05Å; H326-M330 PolarHBondContact O-N 2.94Å; H326-M330 VanDerWaalsContact O-N 3.08Å
327	G	88.6	Confident	91.6	Very high	10 Å²	10	15.2 Å²	15.2	10%	0.103	8%	0.075	C	C	.	.	H	α-helix	trans	-52.6	-52.5	-169	0	0	0	0	0	114	G325 T329 M330 E331	G325-G327 PolarHBondContact O-N 3.17Å; G327-T329 VanDerWaalsContact C-N 3.26Å; G327-T329 PolarHBondContact O-N 3.28Å; G327-M330 PolarHBondContact O-N 2.98Å; G327-E331 WeakPolarHBondContact O-CB 3.3Å; G327-E331 PolarHBondContact O-N 3.04Å
328	L	92.3	Very high	91.6	Very high	20 Å²	20	21 Å²	21	11%	0.105	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-31.8	178.8	178.5	61.5	0	0	0	113.1	A238 D239 K290 L293 H326 V332	A238-L328 HydrophobicContact CB-CD2 4.31Å; A238-L328 WeakPolarHBondContact O-CD2 3.38Å; D239-L328 WeakPolarHBondContact OD1-CB 3.32Å; K290-L328 HydrophobicContact CG-CD2 4.22Å; L293-L328 HydrophobicContact CD2-CB 4.35Å; L293-L328 HydrophobicContact CD2-CD2 3.7Å; L293-L328 HydrophobicContact CD2-CG 3.84Å; H326-L328 PolarHBondContact O-N 3.24Å; L328-V332 HydrophobicContact CD1-CG2 4.09Å; L328-V332 VanDerWaalsContact O-CG2 3.28Å; L328-V332 WeakPolarHBondContact O-CG2 3.42Å; L328-V332 PolarHBondContact O-N 3.32Å
329	T	94.2	Very high	91.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.8	-45.4	177.2	-52.9	0	0	0	0	110.4	F322 H326 G327 I333	F322-T329 HydrophobicContact CD1-CG2 3.91Å; F322-T329 HydrophobicContact CE1-CG2 3.48Å; F322-T329 VanDerWaalsContact CE1-CG2 3.48Å; F322-T329 HydrophobicContact CZ-CG2 4.14Å; H326-T329 PolarHBondContact ND1-OG1 3.43Å; H326-T329 VanDerWaalsContact ND1-OG1 3.1Å; H326-T329 WeakPolarHBondContact O-CB 2.95Å; H326-T329 PolarHBondContact O-N 3.05Å; G327-T329 VanDerWaalsContact C-N 3.26Å; G327-T329 PolarHBondContact O-N 3.28Å; T329-I333 HydrophobicContact CG2-CD1 4.17Å; T329-I333 VanDerWaalsContact O-CG1 3.31Å; T329-I333 WeakPolarHBondContact O-CG1 3.43Å; T329-I333 PolarHBondContact O-N 2.86Å; T329-I333 VanDerWaalsContact O-N 3.12Å
330	M	95.1	Very high	91.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.6	-34.3	176.7	-63.6	-175.3	-65.3	0	0	112.2	F161 Y163 H171 I323 G325 H326 G327 T334 F349	F161-M330 HydrophobicContact CE2-CE 4.44Å; F161-M330 HydrophobicContact CE2-SD 3.72Å; F161-M330 HydrophobicContact CZ-SD 3.99Å; Y163-M330 HydrophobicContact CD1-CB 4.22Å; Y163-M330 HydrophobicContact CD2-CB 4.01Å; Y163-M330 HydrophobicContact CD2-CE 3.69Å; Y163-M330 HydrophobicContact CD2-SD 4.48Å; Y163-M330 HydrophobicContact CE2-CE 3.94Å; Y163-M330 HydrophobicContact CG-CB 3.74Å; H171-M330 WeakPolarHBondContact NE2-CE 3.21Å; I323-M330 HydrophobicContact CG2-CG 3.53Å; I323-M330 HydrophobicContact CG2-SD 4.02Å; G325-M330 VanDerWaalsContact O-CE 3.3Å; G325-M330 WeakPolarHBondContact O-CE 3.49Å; H326-M330 PolarHBondContact O-N 2.94Å; H326-M330 VanDerWaalsContact O-N 3.08Å; G327-M330 PolarHBondContact O-N 2.98Å; M330-T334 VanDerWaalsContact O-CB 3.25Å; M330-T334 WeakPolarHBondContact O-CB 3.29Å; M330-T334 PolarHBondContact O-N 2.9Å; M330-T334 PolarHBondContact O-OG1 3.27Å; M330-F349 HydrophobicContact CB-CD2 4.49Å; M330-F349 HydrophobicContact CB-CE1 4.14Å; M330-F349 HydrophobicContact CB-CE2 3.98Å; M330-F349 HydrophobicContact CB-CZ 3.79Å; M330-F349 HydrophobicContact CG-CD1 3.95Å; M330-F349 HydrophobicContact CG-CD2 4.4Å; M330-F349 HydrophobicContact CG-CE1 3.8Å; M330-F349 HydrophobicContact CG-CE2 4.26Å; M330-F349 HydrophobicContact CG-CG 4.26Å; M330-F349 HydrophobicContact CG-CZ 3.96Å; M330-F349 HydrophobicContact SD-CB 4.41Å; M330-F349 HydrophobicContact SD-CD1 4.2Å; M330-F349 HydrophobicContact SD-CD2 4.27Å; M330-F349 HydrophobicContact SD-CG 4.03Å
331	E	95.5	Very high	91.6	Very high	57 Å²	57	30 Å²	30	27%	0.266	13%	0.133	S	C	.	.	H	α-helix	trans	-58.3	-55.4	172.2	-171.6	-171	153.3	0	0	110.9	Y163 K165 G327 I333 T334 Y335	Y163-E331 HydrophobicContact CD1-CB 4.15Å; Y163-E331 HydrophobicContact CE1-CB 3.83Å; Y163-E331 HydrophobicContact CE1-CG 4.49Å; K165-E331 VanDerWaalsContact CD-CD 3.41Å; K165-E331 HydrophobicContact CD-CG 3.96Å; K165-E331 WeakPolarHBondContact CD-OE1 3.37Å; K165-E331 WeakPolarHBondContact CE-OE1 3.46Å; K165-E331 IonicContact NZ-OE1 3.7Å; K165-E331 PolarHBondContact NZ-OE1 2.86Å; G327-E331 WeakPolarHBondContact O-CB 3.3Å; G327-E331 PolarHBondContact O-N 3.04Å; E331-I333 PolarHBondContact O-N 2.62Å; E331-T334 PolarHBondContact O-N 3.36Å; E331-Y335 WeakPolarHBondContact O-CB 3.48Å; E331-Y335 PolarHBondContact O-N 3.15Å
332	V	96.2	Very high	91.8	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-39.9	-175.1	178.2	0	0	0	0	111.1	I294 N298 L328 T334 Y335 A336	I294-V332 HydrophobicContact CG1-CG2 3.94Å; I294-V332 HydrophobicContact CG2-CG1 4.37Å; N298-V332 HydrophobicContact CB-CG1 4.39Å; N298-V332 VanDerWaalsContact OD1-CG1 3.3Å; N298-V332 WeakPolarHBondContact OD1-CG1 3.35Å; L328-V332 HydrophobicContact CD1-CG2 4.09Å; L328-V332 VanDerWaalsContact O-CG2 3.28Å; L328-V332 WeakPolarHBondContact O-CG2 3.42Å; L328-V332 PolarHBondContact O-N 3.32Å; V332-T334 VanDerWaalsContact C-N 3.34Å; V332-T334 PolarHBondContact O-N 3.22Å; V332-Y335 PolarHBondContact O-N 3.18Å; V332-A336 VanDerWaalsContact O-CB 3.3Å; V332-A336 WeakPolarHBondContact O-CB 3.42Å; V332-A336 PolarHBondContact O-N 3.27Å
333	I	97.4	Very high	91.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-44.8	173.6	-69.9	171.9	0	0	0	110.6	F318 I323 T329 E331 A336 V337 A347 F349	F318-I333 HydrophobicContact CD1-CD1 4.49Å; F318-I333 HydrophobicContact CD1-CG2 3.87Å; F318-I333 HydrophobicContact CD2-CG2 3.8Å; F318-I333 HydrophobicContact CE1-CG2 3.6Å; F318-I333 HydrophobicContact CE2-CG2 3.52Å; F318-I333 HydrophobicContact CG-CG2 3.97Å; F318-I333 HydrophobicContact CZ-CG2 3.42Å; F318-I333 VanDerWaalsContact CZ-CG2 3.42Å; I323-I333 HydrophobicContact CG1-CD1 4.39Å; T329-I333 HydrophobicContact CG2-CD1 4.17Å; T329-I333 VanDerWaalsContact O-CG1 3.31Å; T329-I333 WeakPolarHBondContact O-CG1 3.43Å; T329-I333 PolarHBondContact O-N 2.86Å; T329-I333 VanDerWaalsContact O-N 3.12Å; E331-I333 PolarHBondContact O-N 2.62Å; I333-A336 PolarHBondContact O-N 2.82Å; I333-V337 WeakPolarHBondContact O-CG2 3.5Å; I333-V337 PolarHBondContact O-N 3.49Å; I333-A347 HydrophobicContact CG2-CB 4.13Å; I333-F349 HydrophobicContact CB-CE1 4.39Å; I333-F349 HydrophobicContact CB-CZ 4.13Å; I333-F349 HydrophobicContact CD1-CE1 4.34Å; I333-F349 HydrophobicContact CG2-CE1 4.06Å; I333-F349 HydrophobicContact CG2-CZ 3.86Å
334	T	96.4	Very high	92.1	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-42.7	179.4	-57.6	0	0	0	0	112	M330 E331 V332 V337 R338	M330-T334 VanDerWaalsContact O-CB 3.25Å; M330-T334 WeakPolarHBondContact O-CB 3.29Å; M330-T334 PolarHBondContact O-N 2.9Å; M330-T334 PolarHBondContact O-OG1 3.27Å; E331-T334 PolarHBondContact O-N 3.36Å; V332-T334 VanDerWaalsContact C-N 3.34Å; V332-T334 PolarHBondContact O-N 3.22Å; T334-V337 PolarHBondContact O-N 3.14Å; T334-R338 HydrophobicContact CG2-CG 4.46Å; T334-R338 WeakPolarHBondContact O-CB 3.31Å; T334-R338 WeakPolarHBondContact O-CG 3.44Å; T334-R338 PolarHBondContact O-N 2.97Å
335	Y	95.2	Very high	92.8	Very high	111 Å²	111	39.3 Å²	39.3	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-58.2	-51	173.9	172.3	-96.6	0	0	0	110.8	E331 V332 V337 R338 F339	E331-Y335 WeakPolarHBondContact O-CB 3.48Å; E331-Y335 PolarHBondContact O-N 3.15Å; V332-Y335 PolarHBondContact O-N 3.18Å; Y335-V337 PolarHBondContact O-N 2.94Å; Y335-R338 PolarHBondContact O-N 3.43Å; Y335-F339 HydrophobicContact CE1-CB 4.45Å; Y335-F339 VanDerWaalsContact O-CB 3.22Å; Y335-F339 WeakPolarHBondContact O-CB 3.42Å; Y335-F339 PolarHBondContact O-N 3.41Å
336	A	96.1	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-45.6	179.3	0	0	0	0	0	112.1	V332 I333 F339 W340	V332-A336 VanDerWaalsContact O-CB 3.3Å; V332-A336 WeakPolarHBondContact O-CB 3.42Å; V332-A336 PolarHBondContact O-N 3.27Å; I333-A336 PolarHBondContact O-N 2.82Å; A336-F339 PolarHBondContact O-N 2.84Å; A336-W340 PolarHBondContact O-N 3.35Å
337	V	96.9	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-44	177.6	170.2	0	0	0	0	111.4	I316 F318 I333 T334 Y335 S341 A347	I316-V337 HydrophobicContact CD1-CG1 4.05Å; I316-V337 HydrophobicContact CD1-CG2 4.49Å; F318-V337 HydrophobicContact CE2-CG2 3.95Å; F318-V337 HydrophobicContact CZ-CG2 3.73Å; I333-V337 WeakPolarHBondContact O-CG2 3.5Å; I333-V337 PolarHBondContact O-N 3.49Å; T334-V337 PolarHBondContact O-N 3.14Å; Y335-V337 PolarHBondContact O-N 2.94Å; V337-S341 WeakPolarHBondContact O-CB 3.28Å; V337-S341 PolarHBondContact O-N 3.12Å; V337-S341 PolarHBondContact O-OG 2.92Å; V337-A347 HydrophobicContact CB-CB 4.27Å; V337-A347 HydrophobicContact CG2-CB 4.23Å
338	R	94.5	Very high	94.4	Very high	123 Å²	123	43.6 Å²	43.6	46%	0.464	22%	0.222	S	C	.	.	H	α-helix	trans	-65.6	-42.7	176.6	-70.3	177.3	82	164.7	2	111.5	D164 T334 Y335 S341 G342 G343	D164-R338 IonicContact OD2-NH1 3.51Å; T334-R338 HydrophobicContact CG2-CG 4.46Å; T334-R338 WeakPolarHBondContact O-CB 3.31Å; T334-R338 WeakPolarHBondContact O-CG 3.44Å; T334-R338 PolarHBondContact O-N 2.97Å; Y335-R338 PolarHBondContact O-N 3.43Å; R338-S341 PolarHBondContact O-OG 3.2Å; R338-G342 CarbonylContact O-C 3.49Å; R338-G342 PolarHBondContact O-N 3.15Å; R338-G343 PolarHBondContact O-N 3.18Å
339	F	93.5	Very high	94.5	Very high	72 Å²	72	42.6 Å²	42.6	32%	0.316	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-55.1	178.7	-176.3	-89.9	0	0	0	112.1	L263 V267 Y335 A336 S341 G342	L263-F339 HydrophobicContact CD2-CZ 3.86Å; V267-F339 HydrophobicContact CG2-CE2 4.23Å; Y335-F339 HydrophobicContact CE1-CB 4.45Å; Y335-F339 VanDerWaalsContact O-CB 3.22Å; Y335-F339 WeakPolarHBondContact O-CB 3.42Å; Y335-F339 PolarHBondContact O-N 3.41Å; A336-F339 PolarHBondContact O-N 2.84Å; F339-S341 VanDerWaalsContact C-N 3.34Å; F339-S341 PolarHBondContact O-N 3.29Å; F339-G342 PolarHBondContact O-N 2.76Å
340	W	93.8	Very high	94.3	Very high	116 Å²	116	42.6 Å²	42.6	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-74.9	-20.3	-177.6	-65.2	111.2	0	0	0	113.8	Q302 C305 K309 A336	Q302-W340 HydrophobicContact CB-CG 4.28Å; Q302-W340 HydrophobicContact CG-CD2 3.93Å; Q302-W340 HydrophobicContact CG-CG 4.01Å; Q302-W340 HydrophobicContact CG-CZ2 4.28Å; C305-W340 HydrophobicContact CB-CB 3.89Å; C305-W340 PolarHBondContact SG-O 3.44Å; K309-W340 PolarHBondContact NZ-O 3.39Å; A336-W340 PolarHBondContact O-N 3.35Å
341	S	94	Very high	94	Very high	7 Å²	7	44.4 Å²	44.4	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-80.9	-25.3	171	65.2	0	0	0	0	113.2	C305 K309 V337 R338 F339 G343 E344 Y345	C305-S341 PolarHBondContact SG-N 3.27Å; C305-S341 VanDerWaalsContact SG-N 3.4Å; K309-S341 PolarHBondContact NZ-O 2.87Å; V337-S341 WeakPolarHBondContact O-CB 3.28Å; V337-S341 PolarHBondContact O-N 3.12Å; V337-S341 PolarHBondContact O-OG 2.92Å; R338-S341 PolarHBondContact O-OG 3.2Å; F339-S341 VanDerWaalsContact C-N 3.34Å; F339-S341 PolarHBondContact O-N 3.29Å; S341-G343 PolarHBondContact OG-N 2.76Å; S341-E344 PolarHBondContact OG-N 2.7Å; S341-Y345 PolarHBondContact OG-N 3.32Å
342	G	91.5	Very high	93.6	Very high	72 Å²	72	41.8 Å²	41.8	74%	0.742	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	20.3	-166.3	0	0	0	0	0	112.9	R338 F339	R338-G342 CarbonylContact O-C 3.49Å; R338-G342 PolarHBondContact O-N 3.15Å; F339-G342 PolarHBondContact O-N 2.76Å
343	G	91.5	Very high	93.2	Very high	48 Å²	48	41.9 Å²	41.9	50%	0.495	21%	0.211	S	C	.	.	S	Bend	trans	88	-4.5	-175	0	0	0	0	0	114.9	R338 S341 Y345	R338-G343 PolarHBondContact O-N 3.18Å; S341-G343 PolarHBondContact OG-N 2.76Å; G343-Y345 VanDerWaalsContact C-N 3.34Å; G343-Y345 PolarHBondContact O-N 3.33Å
344	E	92.6	Very high	92.8	Very high	126 Å²	126	42.2 Å²	42.2	59%	0.589	22%	0.215	S	C	*	.	S	Bend	trans	-63.7	-35.6	-179.5	-165.8	-168.2	159.1	0	0	112.6	S341	S341-E344 PolarHBondContact OG-N 2.7Å
345	Y	93.9	Very high	92.7	Very high	13 Å²	13	41.8 Å²	41.8	5%	0.051	21%	0.212	C	C	.	.			trans	-112	147.7	-174.6	-55.6	-21.2	0	0	0	112.5	A308 K309 T314 I316 S341 G343	A308-Y345 HydrophobicContact CB-CD2 4.09Å; A308-Y345 HydrophobicContact CB-CE2 3.79Å; K309-Y345 HydrophobicContact CG-CE2 3.71Å; K309-Y345 WeakPolarHBondContact CG-OH 3.46Å; T314-Y345 HydrophobicContact CG2-CE1 4.08Å; I316-Y345 HydrophobicContact CD1-CD2 4.05Å; S341-Y345 PolarHBondContact OG-N 3.32Å; G343-Y345 VanDerWaalsContact C-N 3.34Å; G343-Y345 PolarHBondContact O-N 3.33Å
346	K	91.8	Very high	92.6	Very high	106 Å²	106	36.6 Å²	36.6	46%	0.461	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.8	167.9	-67.2	-170	174.4	-169	0	110.3	Y162	Y162-K346 HydrophobicContact CD1-CD 4.38Å; Y162-K346 HydrophobicContact CG-CD 4.44Å
347	A	95.4	Very high	92.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.6	159.4	0	0	0	0	0	108.7	Y162 F318 I333 V337 F349	Y162-A347 VanDerWaalsContact CB-O 3.31Å; Y162-A347 WeakPolarHBondContact CB-O 3.29Å; F318-A347 HydrophobicContact CD2-CB 3.93Å; F318-A347 HydrophobicContact CE2-CB 3.59Å; I333-A347 HydrophobicContact CG2-CB 4.13Å; V337-A347 HydrophobicContact CB-CB 4.27Å; V337-A347 HydrophobicContact CG2-CB 4.23Å; A347-F349 HydrophobicContact CB-CE2 4Å; A347-F349 HydrophobicContact CB-CZ 3.98Å
348	L	94.8	Very high	92.5	Very high	21 Å²	21	37 Å²	37	11%	0.11	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.4	175.7	-57.9	164.7	0	0	0	109	L160 F161 V174 I316 I317 F318	L160-L348 HydrophobicContact CD1-CB 3.8Å; L160-L348 HydrophobicContact CD2-CD1 4.41Å; L160-L348 HydrophobicContact CG-CB 4.45Å; F161-L348 CarbonylContact O-C 3.56Å; F161-L348 VanDerWaalsContact O-CA 3.25Å; F161-L348 WeakPolarHBondContact O-CA 3.39Å; V174-L348 HydrophobicContact CG2-CD2 4.22Å; I316-L348 WeakPolarHBondContact O-CB 3.23Å; I316-L348 PolarHBondContact O-N 2.74Å; I317-L348 HydrophobicContact CG1-CB 4.34Å; I317-L348 HydrophobicContact CG1-CD1 4.27Å; F318-L348 PolarHBondContact N-O 2.82Å
349	F	94.1	Very high	92.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.5	-176	-56.9	-82.6	0	0	0	110.1	L160 F161 F318 I323 M330 I333 A347	L160-F349 WeakPolarHBondContact CA-O 3.27Å; F161-F349 HydrophobicContact CD1-CB 4.35Å; F161-F349 HydrophobicContact CD2-CB 4.1Å; F161-F349 HydrophobicContact CD2-CD2 4.47Å; F161-F349 HydrophobicContact CE1-CB 3.89Å; F161-F349 HydrophobicContact CE2-CB 3.61Å; F161-F349 HydrophobicContact CE2-CD2 4.23Å; F161-F349 HydrophobicContact CE2-CG 4.22Å; F161-F349 HydrophobicContact CG-CB 4.44Å; F161-F349 HydrophobicContact CZ-CB 3.5Å; F161-F349 VanDerWaalsContact CZ-CB 3.5Å; F161-F349 HydrophobicContact CZ-CG 4.46Å; F161-F349 PolarHBondContact N-O 3.48Å; F161-F349 PolarHBondContact O-N 3Å; F318-F349 HydrophobicContact CB-CD1 3.84Å; F318-F349 HydrophobicContact CB-CE1 3.88Å; F318-F349 HydrophobicContact CD2-CE1 4.22Å; F318-F349 HydrophobicContact CG-CE1 4.18Å; I323-F349 HydrophobicContact CD1-CD1 4.18Å; I323-F349 HydrophobicContact CD1-CE1 4.35Å; I323-F349 HydrophobicContact CG2-CD1 4.1Å; I323-F349 HydrophobicContact CG2-CE1 4.36Å; M330-F349 HydrophobicContact CB-CD2 4.49Å; M330-F349 HydrophobicContact CB-CE1 4.14Å; M330-F349 HydrophobicContact CB-CE2 3.98Å; M330-F349 HydrophobicContact CB-CZ 3.79Å; M330-F349 HydrophobicContact CG-CD1 3.95Å; M330-F349 HydrophobicContact CG-CD2 4.4Å; M330-F349 HydrophobicContact CG-CE1 3.8Å; M330-F349 HydrophobicContact CG-CE2 4.26Å; M330-F349 HydrophobicContact CG-CG 4.26Å; M330-F349 HydrophobicContact CG-CZ 3.96Å; M330-F349 HydrophobicContact SD-CB 4.41Å; M330-F349 HydrophobicContact SD-CD1 4.2Å; M330-F349 HydrophobicContact SD-CD2 4.27Å; M330-F349 HydrophobicContact SD-CG 4.03Å; I333-F349 HydrophobicContact CB-CE1 4.39Å; I333-F349 HydrophobicContact CB-CZ 4.13Å; I333-F349 HydrophobicContact CD1-CE1 4.34Å; I333-F349 HydrophobicContact CG2-CE1 4.06Å; I333-F349 HydrophobicContact CG2-CZ 3.86Å; A347-F349 HydrophobicContact CB-CE2 4Å; A347-F349 HydrophobicContact CB-CZ 3.98Å
350	L	90.4	Very high	92.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.1	-172.9	-68.5	169.7	0	0	0	109.8	L153 E159 L160 I317 H352 E353 L356	L153-L350 HydrophobicContact CD2-CD2 3.66Å; L153-L350 HydrophobicContact CG-CD2 4.13Å; E159-L350 HydrophobicContact CG-CD2 3.87Å; E159-L350 WeakPolarHBondContact O-CA 3.42Å; E159-L350 WeakPolarHBondContact OE1-CB 3.34Å; L160-L350 HydrophobicContact CD1-CD2 3.89Å; I317-L350 HydrophobicContact CG2-CD1 3.64Å; I317-L350 HydrophobicContact CG2-CD2 4.05Å; I317-L350 HydrophobicContact CG2-CG 3.66Å; L350-H352 PolarHBondContact O-N 3.48Å; L350-E353 HydrophobicContact CB-CB 4Å; L350-E353 WeakPolarHBondContact O-CB 3.46Å; L350-E353 WeakPolarHBondContact O-CG 3.2Å; L350-E353 PolarHBondContact O-N 3.17Å; L350-E353 VanDerWaalsContact O-N 3.1Å; L350-L356 HydrophobicContact CD1-CD1 3.71Å; L350-L356 HydrophobicContact CD1-CD2 4.42Å
351	R	88	Confident	92.5	Very high	38 Å²	38	22.1 Å²	22.1	14%	0.143	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.1	179.1	-57.3	-179.6	70.1	-138.7	-16.5	111.7	D158 E159 F161 F173 E380 G556 H557	D158-R351 WeakPolarHBondContact O-CD 3.47Å; E159-R351 PolarHBondContact O-N 3.45Å; E159-R351 PolarHBondContact OE1-N 2.95Å; E159-R351 VanDerWaalsContact OE1-N 3.16Å; F161-R351 HydrophobicContact CD1-CG 4.13Å; F161-R351 HydrophobicContact CE1-CG 4.01Å; F173-R351 HydrophobicContact CE1-CG 4.09Å; R351-E380 IonicContact CZ-OE1 3.54Å; R351-E380 VanDerWaalsContact CZ-OE1 3.25Å; R351-E380 IonicContact CZ-OE2 3.69Å; R351-E380 VanDerWaalsContact CZ-OE2 3.31Å; R351-E380 IonicContact NH1-OE1 2.93Å; R351-E380 PolarHBondContact NH1-OE1 3.43Å; R351-E380 IonicContact NH1-OE2 2.83Å; R351-E380 PolarHBondContact NH1-OE2 2.88Å; R351-E380 IonicContact NH2-OE1 2.85Å; R351-E380 PolarHBondContact NH2-OE1 3.41Å; R351-E380 IonicContact NH2-OE2 3.11Å; R351-E380 PolarHBondContact NH2-OE2 2.95Å; R351-G556 PolarHBondContact NH2-O 2.92Å; R351-H557 PolarHBondContact NH1-O 3.2Å; R351-H557 VanDerWaalsContact NH2-CA 3.34Å
352	H	88.1	Confident	92.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	22.1	177.4	-62.9	84.1	0	0	0	113.6	M152 E159 L350 G354 Y355 E380 F467	M152-H352 HydrophobicContact CE-CB 3.57Å; M152-H352 HydrophobicContact CG-CB 4.22Å; M152-H352 HydrophobicContact SD-CB 4.17Å; E159-H352 PolarHBondContact OE1-N 3.09Å; E159-H352 IonicContact OE1-ND1 2.98Å; E159-H352 IonicContact OE2-CE1 3.66Å; E159-H352 IonicContact OE2-CG 2.64Å; E159-H352 IonicContact OE2-ND1 2.63Å; E159-H352 PolarHBondContact OE2-ND1 3.39Å; L350-H352 PolarHBondContact O-N 3.48Å; H352-G354 PolarHBondContact O-N 2.77Å; H352-Y355 PolarHBondContact O-N 3.48Å; H352-E380 IonicContact CE1-OE1 2.65Å; H352-F467 AromaticContact NE2-CD1 3.55Å; H352-F467 AromaticContact NE2-CG 4Å
353	E	87.7	Confident	92.2	Very high	14 Å²	14	19.8 Å²	19.8	7%	0.065	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-35.2	-179.2	52.3	-179	-160.9	0	0	115.8	G320 I323 R324 G325 L350	G320-E353 WeakPolarHBondContact CA-O 3.26Å; G320-E353 PolarHBondContact N-O 3.1Å; I323-E353 WeakPolarHBondContact CB-OE1 3.08Å; I323-E353 WeakPolarHBondContact CB-OE2 3.4Å; I323-E353 WeakPolarHBondContact CG2-OE2 3.17Å; R324-E353 VanDerWaalsContact CA-OE1 3.23Å; R324-E353 WeakPolarHBondContact CA-OE1 3.42Å; R324-E353 PolarHBondContact N-OE1 3.21Å; G325-E353 PolarHBondContact N-OE1 3.46Å; G325-E353 VanDerWaalsContact N-OE1 3.11Å; L350-E353 HydrophobicContact CB-CB 4Å; L350-E353 WeakPolarHBondContact O-CB 3.46Å; L350-E353 WeakPolarHBondContact O-CG 3.2Å; L350-E353 PolarHBondContact O-N 3.17Å; L350-E353 VanDerWaalsContact O-N 3.1Å
354	G	89.4	Confident	92.1	Very high	7 Å²	7	18.1 Å²	18.1	7%	0.072	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-18	-174.2	0	0	0	0	0	115.3	H352	H352-G354 PolarHBondContact O-N 2.77Å
355	Y	92.6	Very high	91.8	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.012	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-5.9	-164.9	-67	-74.5	0	0	0	114.6	K36 F81 K83 Y321 H352 G357 A358 V359 F467	K36-Y355 HydrophobicContact CB-CD1 3.71Å; K36-Y355 HydrophobicContact CB-CE1 3.93Å; K36-Y355 HydrophobicContact CG-CD1 4.03Å; K36-Y355 HydrophobicContact CG-CE1 4.14Å; F81-Y355 HydrophobicContact CB-CD1 4.25Å; F81-Y355 HydrophobicContact CB-CD2 4.44Å; F81-Y355 HydrophobicContact CB-CE1 4.11Å; F81-Y355 HydrophobicContact CB-CE2 4.26Å; F81-Y355 HydrophobicContact CB-CG 4.44Å; F81-Y355 AromaticContact CD1-CD1 3.94Å; F81-Y355 HydrophobicContact CD1-CD1 3.94Å; F81-Y355 AromaticContact CD1-CD2 3.94Å; F81-Y355 HydrophobicContact CD1-CD2 3.94Å; F81-Y355 AromaticContact CD1-CG 3.58Å; F81-Y355 HydrophobicContact CD1-CG 3.58Å; F81-Y355 HydrophobicContact CE1-CG 4.35Å; F81-Y355 HydrophobicContact CG-CG 4.48Å; K83-Y355 HydrophobicContact CB-CE1 4.45Å; Y321-Y355 HydrophobicContact CE2-CE1 4.5Å; Y321-Y355 HydrophobicContact CE2-CE2 4.1Å; H352-Y355 PolarHBondContact O-N 3.48Å; Y355-G357 VanDerWaalsContact C-N 3.28Å; Y355-G357 PolarHBondContact O-N 3.5Å; Y355-G357 VanDerWaalsContact O-N 3.09Å; Y355-A358 PolarHBondContact O-N 2.62Å; Y355-V359 WeakPolarHBondContact O-CG2 3.42Å; Y355-V359 PolarHBondContact O-N 3.37Å; Y355-F467 AromaticContact CE2-CD2 4Å; Y355-F467 HydrophobicContact CE2-CD2 4Å; Y355-F467 HydrophobicContact CE2-CE2 4.35Å
356	L	94	Very high	91.1	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-50.7	-40.9	-170.4	-51.5	178.8	0	0	0	113.8	L145 G148 C149 M152 L350 V359 G360	L145-L356 HydrophobicContact CD1-CB 3.98Å; L145-L356 HydrophobicContact CD1-CD1 4.09Å; G148-L356 WeakPolarHBondContact CA-O 3.26Å; C149-L356 HydrophobicContact CB-CD1 4.11Å; M152-L356 HydrophobicContact CG-CD2 3.97Å; L350-L356 HydrophobicContact CD1-CD1 3.71Å; L350-L356 HydrophobicContact CD1-CD2 4.42Å; L356-V359 PolarHBondContact O-N 3.18Å; L356-G360 PolarHBondContact O-N 3.1Å
357	G	95.6	Very high	89.8	Confident	7 Å²	7	11.3 Å²	11.3	7%	0.072	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-45.1	176	0	0	0	0	0	113.4	C144 Y355 G360 A361	C144-G357 WeakPolarHBondContact CB-O 3.46Å; Y355-G357 VanDerWaalsContact C-N 3.28Å; Y355-G357 PolarHBondContact O-N 3.5Å; Y355-G357 VanDerWaalsContact O-N 3.09Å; G357-G360 PolarHBondContact O-N 2.97Å; G357-A361 PolarHBondContact O-N 3.26Å; G357-A361 VanDerWaalsContact O-N 3.07Å
358	A	95.2	Very high	87.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68	-37.7	178.1	0	0	0	0	0	111.5	D29 K36 V38 Y355 A361 F362	D29-A358 HydrophobicContact CB-CB 3.95Å; K36-A358 HydrophobicContact CB-CB 4.25Å; V38-A358 HydrophobicContact CB-CB 4.08Å; V38-A358 HydrophobicContact CG2-CB 3.54Å; Y355-A358 PolarHBondContact O-N 2.62Å; A358-A361 PolarHBondContact O-N 3.34Å; A358-F362 WeakPolarHBondContact O-CB 3.16Å; A358-F362 PolarHBondContact O-N 2.95Å
359	V	93	Very high	85.4	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-46.8	173.5	178.2	0	0	0	0	111	V38 F81 F151 M152 Y355 L356 A361 F362 L363	V38-V359 HydrophobicContact CG2-CG2 4.12Å; F81-V359 HydrophobicContact CE1-CG2 3.54Å; F81-V359 HydrophobicContact CZ-CG2 4.18Å; F151-V359 HydrophobicContact CB-CG1 4.48Å; F151-V359 HydrophobicContact CD1-CG1 3.65Å; F151-V359 HydrophobicContact CE1-CG1 4.17Å; F151-V359 HydrophobicContact CG-CG1 4.26Å; M152-V359 HydrophobicContact CE-CG1 4.45Å; M152-V359 HydrophobicContact CE-CG2 3.66Å; Y355-V359 WeakPolarHBondContact O-CG2 3.42Å; Y355-V359 PolarHBondContact O-N 3.37Å; L356-V359 PolarHBondContact O-N 3.18Å; V359-A361 VanDerWaalsContact C-N 3.31Å; V359-A361 PolarHBondContact O-N 3.17Å; V359-F362 WeakPolarHBondContact O-CB 3.41Å; V359-F362 PolarHBondContact O-N 3.27Å; V359-L363 HydrophobicContact CG1-CD1 3.89Å; V359-L363 HydrophobicContact CG1-CG 4.36Å; V359-L363 VanDerWaalsContact O-CG 3.29Å; V359-L363 WeakPolarHBondContact O-CG 3.44Å; V359-L363 PolarHBondContact O-N 2.95Å
360	G	93.8	Very high	82.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-35.4	176.9	0	0	0	0	0	113.8	C144 L356 G357 K364	C144-G360 VanDerWaalsContact O-CA 3.3Å; C144-G360 WeakPolarHBondContact O-CA 3.4Å; L356-G360 PolarHBondContact O-N 3.1Å; G357-G360 PolarHBondContact O-N 2.97Å; G360-K364 WeakPolarHBondContact O-CG 3.46Å; G360-K364 PolarHBondContact O-N 2.8Å
361	A	94.8	Very high	80	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.5	-37.2	173.8	0	0	0	0	0	112	A27 T117 C144 G357 A358 V359 K364 A365	A27-A361 VanDerWaalsContact CB-C 3.47Å; A27-A361 HydrophobicContact CB-CB 3.72Å; T117-A361 HydrophobicContact CG2-CB 4.11Å; C144-A361 PolarHBondContact SG-N 2.8Å; G357-A361 PolarHBondContact O-N 3.26Å; G357-A361 VanDerWaalsContact O-N 3.07Å; A358-A361 PolarHBondContact O-N 3.34Å; V359-A361 VanDerWaalsContact C-N 3.31Å; V359-A361 PolarHBondContact O-N 3.17Å; A361-K364 PolarHBondContact O-N 3.14Å; A361-A365 PolarHBondContact O-N 3.12Å
362	F	91.9	Very high	77.7	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.022	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-48.4	174.8	173.6	-89.9	0	0	0	111.9	I25 A27 V38 K40 L79 A358 V359 K364 A365 C366	I25-F362 HydrophobicContact CB-CE2 4.08Å; I25-F362 HydrophobicContact CG2-CD2 3.92Å; I25-F362 HydrophobicContact CG2-CE2 3.61Å; I25-F362 HydrophobicContact CG2-CZ 4.26Å; A27-F362 HydrophobicContact CB-CB 3.98Å; A27-F362 VanDerWaalsContact CB-N 3.28Å; V38-F362 HydrophobicContact CB-CB 4.31Å; V38-F362 HydrophobicContact CG1-CB 3.79Å; V38-F362 HydrophobicContact CG1-CD1 4.36Å; V38-F362 HydrophobicContact CG1-CD2 4.01Å; V38-F362 HydrophobicContact CG1-CG 3.79Å; K40-F362 HydrophobicContact CB-CE2 3.93Å; K40-F362 HydrophobicContact CB-CZ 4.02Å; L79-F362 HydrophobicContact CD1-CD1 3.78Å; L79-F362 HydrophobicContact CD1-CD2 4.04Å; L79-F362 HydrophobicContact CD1-CE1 3.43Å; L79-F362 VanDerWaalsContact CD1-CE1 3.43Å; L79-F362 HydrophobicContact CD1-CE2 3.7Å; L79-F362 HydrophobicContact CD1-CG 4.08Å; L79-F362 HydrophobicContact CD1-CZ 3.4Å; L79-F362 HydrophobicContact CD2-CE1 4.5Å; A358-F362 WeakPolarHBondContact O-CB 3.16Å; A358-F362 PolarHBondContact O-N 2.95Å; V359-F362 WeakPolarHBondContact O-CB 3.41Å; V359-F362 PolarHBondContact O-N 3.27Å; F362-K364 VanDerWaalsContact C-N 3.27Å; F362-K364 PolarHBondContact O-N 2.9Å; F362-A365 WeakPolarHBondContact O-CA 3.48Å; F362-A365 VanDerWaalsContact O-CB 3.27Å; F362-A365 WeakPolarHBondContact O-CB 3.42Å; F362-A365 PolarHBondContact O-N 3.48Å; F362-C366 VanDerWaalsContact CE1-SG 3.56Å; F362-C366 PolarHBondContact O-N 3.27Å
363	L	87.7	Confident	75.6	Confident	25 Å²	25	38.1 Å²	38.1	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-39.5	178	-69	165.3	0	0	0	111.8	F151 V359 A365 C366 T367	F151-L363 HydrophobicContact CB-CD1 3.51Å; F151-L363 HydrophobicContact CD1-CD1 4.36Å; F151-L363 HydrophobicContact CD2-CD1 3.79Å; F151-L363 HydrophobicContact CD2-CD2 3.63Å; F151-L363 HydrophobicContact CD2-CG 4.33Å; F151-L363 HydrophobicContact CE2-CD2 3.74Å; F151-L363 HydrophobicContact CG-CD1 3.64Å; F151-L363 HydrophobicContact CG-CD2 4.26Å; F151-L363 HydrophobicContact CZ-CD2 4.44Å; V359-L363 HydrophobicContact CG1-CD1 3.89Å; V359-L363 HydrophobicContact CG1-CG 4.36Å; V359-L363 VanDerWaalsContact O-CG 3.29Å; V359-L363 WeakPolarHBondContact O-CG 3.44Å; V359-L363 PolarHBondContact O-N 2.95Å; L363-A365 PolarHBondContact O-N 2.89Å; L363-C366 WeakPolarHBondContact O-CB 3.29Å; L363-C366 PolarHBondContact O-N 3.3Å; L363-T367 WeakPolarHBondContact O-CG2 3.35Å; L363-T367 PolarHBondContact O-N 3.38Å; L363-T367 PolarHBondContact O-OG1 3.1Å
364	K	89	Confident	73.9	Confident	13 Å²	13	46.6 Å²	46.6	6%	0.057	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-33	173.1	-73.4	-178.7	-176.8	180	0	112.7	K115 E139 D143 C144 G360 A361 F362 T367	K115-K364 HydrophobicContact CD-CB 3.58Å; K115-K364 VanDerWaalsContact CE-C 3.5Å; K115-K364 VanDerWaalsContact CE-O 3.29Å; K115-K364 WeakPolarHBondContact CE-O 3.33Å; E139-K364 HydrophobicContact CB-CD 4.47Å; E139-K364 HydrophobicContact CG-CD 3.91Å; E139-K364 WeakPolarHBondContact OE1-CD 3.23Å; E139-K364 VanDerWaalsContact OE2-CD 3.23Å; E139-K364 WeakPolarHBondContact OE2-CD 3.48Å; E139-K364 WeakPolarHBondContact OE2-CE 3.42Å; E139-K364 IonicContact OE2-NZ 3.82Å; E139-K364 PolarHBondContact OE2-NZ 3.26Å; D143-K364 WeakPolarHBondContact OD2-CE 3.49Å; D143-K364 IonicContact OD2-NZ 2.67Å; D143-K364 PolarHBondContact OD2-NZ 2.77Å; C144-K364 PolarHBondContact SG-NZ 3.43Å; C144-K364 VanDerWaalsContact SG-NZ 3.44Å; G360-K364 WeakPolarHBondContact O-CG 3.46Å; G360-K364 PolarHBondContact O-N 2.8Å; A361-K364 PolarHBondContact O-N 3.14Å; F362-K364 VanDerWaalsContact C-N 3.27Å; F362-K364 PolarHBondContact O-N 2.9Å; K364-T367 WeakPolarHBondContact CA-OG1 3.38Å; K364-T367 PolarHBondContact O-OG1 2.95Å
365	A	86.6	Confident	72.3	Confident	20 Å²	20	51.3 Å²	51.3	17%	0.165	27%	0.269	C	S	.	.	H	α-helix	trans	-69.2	-43.7	176.9	0	0	0	0	0	110.5	I25 K115 A361 F362 L363 T367 N368	I25-A365 HydrophobicContact CG2-CB 3.74Å; K115-A365 HydrophobicContact CD-CB 4.08Å; K115-A365 HydrophobicContact CG-CB 4.44Å; A361-A365 PolarHBondContact O-N 3.12Å; F362-A365 WeakPolarHBondContact O-CA 3.48Å; F362-A365 VanDerWaalsContact O-CB 3.27Å; F362-A365 WeakPolarHBondContact O-CB 3.42Å; F362-A365 PolarHBondContact O-N 3.48Å; L363-A365 PolarHBondContact O-N 2.89Å; A365-T367 PolarHBondContact O-N 3.05Å; A365-N368 PolarHBondContact O-N 3.05Å
366	C	79.4	Confident	70.8	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-46.6	171.2	-64.3	0	0	0	0	112.5	F362 L363 N368 N369 E373	F362-C366 VanDerWaalsContact CE1-SG 3.56Å; F362-C366 PolarHBondContact O-N 3.27Å; L363-C366 WeakPolarHBondContact O-CB 3.29Å; L363-C366 PolarHBondContact O-N 3.3Å; C366-N368 PolarHBondContact O-N 3Å; C366-N368 VanDerWaalsContact O-N 3.14Å; C366-N369 PolarHBondContact O-N 3.03Å; C366-E373 WeakPolarHBondContact CB-OE2 3.46Å
367	T	65.2	Low	69.6	Low	73 Å²	73	52.3 Å²	52.3	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-17.1	-174.1	53.1	0	0	0	0	115.2	L363 K364 A365 N369	L363-T367 WeakPolarHBondContact O-CG2 3.35Å; L363-T367 PolarHBondContact O-N 3.38Å; L363-T367 PolarHBondContact O-OG1 3.1Å; K364-T367 WeakPolarHBondContact CA-OG1 3.38Å; K364-T367 PolarHBondContact O-OG1 2.95Å; A365-T367 PolarHBondContact O-N 3.05Å; T367-N369 PolarHBondContact O-N 2.91Å
368	N	51.1	Low	68.6	Low	104 Å²	104	52.3 Å²	52.3	56%	0.556	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.1	171.3	-82	-2.2	0	0	0	111.9	A365 C366 N370	A365-N368 PolarHBondContact O-N 3.05Å; C366-N368 PolarHBondContact O-N 3Å; C366-N368 VanDerWaalsContact O-N 3.14Å; N368-N370 VanDerWaalsContact C-N 3.3Å; N368-N370 PolarHBondContact O-N 2.71Å
369	N	46.6	Very low	67.5	Low	77 Å²	77	53.5 Å²	53.5	41%	0.412	28%	0.281	S	S	.	.	S	Bend	trans	-92.4	52.9	-179.5	-71.7	-12.2	0	0	0	112.6	E23 C366 T367 S371	E23-N369 PolarHBondContact OE2-ND2 2.72Å; C366-N369 PolarHBondContact O-N 3.03Å; T367-N369 PolarHBondContact O-N 2.91Å; N369-S371 PolarHBondContact O-N 3.11Å; N369-S371 PolarHBondContact O-OG 2.85Å
370	N	33.4	Very low	66.6	Low	172 Å²	172	54.1 Å²	54.1	92%	0.92	28%	0.284	S	S	*	.	S	Bend	trans	50.4	11.9	160.9	-98.5	-8.9	0	0	0	118.7	N368	N368-N370 VanDerWaalsContact C-N 3.3Å; N368-N370 PolarHBondContact O-N 2.71Å
371	S	37	Very low	65.7	Low	64 Å²	64	54.4 Å²	54.4	45%	0.448	29%	0.285	S	S	.	.			trans	-116.6	122.7	179.8	44.1	0	0	0	0	109.6	N369 E373	N369-S371 PolarHBondContact O-N 3.11Å; N369-S371 PolarHBondContact O-OG 2.85Å; S371-E373 PolarHBondContact O-N 3.37Å; S371-E373 VanDerWaalsContact O-N 3.12Å
372	T	38.6	Very low	64.8	Low	127 Å²	127	56 Å²	56	78%	0.779	29%	0.291	S	S	*	.			trans	-64.1	108.3	156.5	39.8	0	0	0	0	106.6	R374	T372-R374 VanDerWaalsContact C-N 3.26Å; T372-R374 PolarHBondContact O-N 2.9Å
373	E	46.1	Very low	63.8	Low	79 Å²	79	56.9 Å²	56.9	37%	0.369	30%	0.298	S	S	.	.			trans	-64.2	93.9	172.2	-75.9	-166.1	118.8	0	0	108.6	C366 S371	C366-E373 WeakPolarHBondContact CB-OE2 3.46Å; S371-E373 PolarHBondContact O-N 3.37Å; S371-E373 VanDerWaalsContact O-N 3.12Å
374	R	51.3	Low	62.6	Low	192 Å²	192	57.8 Å²	57.8	73%	0.725	30%	0.304	S	S	*	.			trans	-55.2	152.7	168.7	-56.2	175.9	-178.1	175.8	-2.4	108.3	T372 A376	T372-R374 VanDerWaalsContact C-N 3.26Å; T372-R374 PolarHBondContact O-N 2.9Å; R374-A376 VanDerWaalsContact C-N 3.33Å; R374-A376 WeakPolarHBondContact O-CB 3.37Å; R374-A376 PolarHBondContact O-N 3.17Å
375	K	55.2	Low	60.7	Low	105 Å²	105	58.9 Å²	58.9	46%	0.457	31%	0.313	S	S	.	.			trans	-45.6	88.8	-174.7	-59.7	166.8	-176.1	173.5	0	112	S476 L477 E478	K375-S476 WeakPolarHBondContact O-CA 3.23Å; K375-L477 WeakPolarHBondContact CB-O 3.48Å; K375-L477 WeakPolarHBondContact CD-O 3.36Å; K375-L477 PolarHBondContact O-N 3.17Å; K375-E478 HydrophobicContact CD-CB 3.75Å; K375-E478 VanDerWaalsContact NZ-CB 3.27Å; K375-E478 IonicContact NZ-OE2 3.55Å; K375-E478 PolarHBondContact NZ-OE2 2.84Å
376	A	62	Low	58.6	Low	4 Å²	4	60.5 Å²	60.5	3%	0.033	32%	0.324	C	S	.	.			trans	-98.7	111.2	-177.2	0	0	0	0	0	106.7	N155 R374 W378	N155-A376 PolarHBondContact OD1-O 2.87Å; R374-A376 VanDerWaalsContact C-N 3.33Å; R374-A376 WeakPolarHBondContact O-CB 3.37Å; R374-A376 PolarHBondContact O-N 3.17Å; A376-W378 PolarHBondContact O-NE1 3.34Å
377	L	67.5	Low	56.4	Low	22 Å²	22	61.1 Å²	61.1	12%	0.115	33%	0.331	C	S	.	.			trans	-68.5	134.9	177.4	-179.4	66.3	0	0	0	109.9	P157 V472 L477 L770	P157-L377 HydrophobicContact CG-CD1 4.1Å; L377-V472 HydrophobicContact CB-CB 4.48Å; L377-V472 HydrophobicContact CB-CG2 4.32Å; L377-V472 HydrophobicContact CD2-CB 4.27Å; L377-V472 HydrophobicContact CD2-CG2 3.87Å; L377-V472 HydrophobicContact CG-CB 4.46Å; L377-V472 HydrophobicContact CG-CG2 3.87Å; L377-V472 PolarHBondContact O-N 2.91Å; L377-L477 HydrophobicContact CB-CD1 3.83Å; L377-L477 HydrophobicContact CD2-CD1 3.64Å; L377-L477 HydrophobicContact CG-CD1 4.37Å; L377-L770 HydrophobicContact CD1-CD1 4.15Å; L377-L770 HydrophobicContact CD1-CD2 3.75Å; L377-L770 HydrophobicContact CD2-CD1 3.87Å; L377-L770 HydrophobicContact CD2-CD2 4.19Å; L377-L770 HydrophobicContact CD2-CG 4.47Å; L377-L770 HydrophobicContact CG-CD2 4.46Å
378	W	74.9	Confident	54.7	Low	7 Å²	7	63.3 Å²	63.3	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.5	170.8	-63.9	84.1	0	0	0	108.6	L79 F151 N155 I156 A376 L469 D470 R471	L79-W378 HydrophobicContact CB-CE3 3.95Å; L79-W378 HydrophobicContact CB-CH2 4.09Å; L79-W378 HydrophobicContact CB-CZ3 3.59Å; F151-W378 AromaticContact CE2-NE1 3.93Å; F151-W378 AromaticContact CZ-CD1 3.53Å; F151-W378 HydrophobicContact CZ-CG 4.24Å; F151-W378 AromaticContact CZ-NE1 3.57Å; N155-W378 PolarHBondContact O-N 3.46Å; N155-W378 VanDerWaalsContact O-N 3.12Å; N155-W378 VanDerWaalsContact O-O 3.07Å; I156-W378 HydrophobicContact CD1-CB 3.72Å; A376-W378 PolarHBondContact O-NE1 3.34Å; W378-L469 HydrophobicContact CB-CB 4.18Å; W378-L469 HydrophobicContact CB-CD1 4.45Å; W378-L469 HydrophobicContact CE3-CB 4.1Å; W378-D470 CarbonylContact C-O 3.25Å; W378-D470 VanDerWaalsContact CA-O 3.29Å; W378-D470 WeakPolarHBondContact CA-O 3.5Å; W378-R471 HydrophobicContact CD2-CB 4.16Å; W378-R471 HydrophobicContact CE3-CB 3.84Å; W378-R471 HydrophobicContact CH2-CB 3.86Å; W378-R471 HydrophobicContact CZ2-CB 4.17Å; W378-R471 HydrophobicContact CZ2-CG 4.44Å; W378-R471 HydrophobicContact CZ3-CB 3.67Å
379	S	72.2	Confident	53.5	Low	26 Å²	26	62.8 Å²	62.8	18%	0.182	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	154.9	175.1	57.6	0	0	0	0	110.4	L469 D470 V472	S379-L469 CarbonylContact O-C 3.58Å; S379-L469 WeakPolarHBondContact O-CA 3.39Å; S379-D470 PolarHBondContact N-O 2.84Å; S379-D470 PolarHBondContact O-N 3.49Å; S379-V472 WeakPolarHBondContact OG-CG2 3.43Å
380	E	74	Confident	52.4	Low	13 Å²	13	64.4 Å²	64.4	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138.8	172.4	-68.1	-165.7	136.3	0	0	112.3	R351 H352 Y382 L469 H557	R351-E380 IonicContact CZ-OE1 3.54Å; R351-E380 VanDerWaalsContact CZ-OE1 3.25Å; R351-E380 IonicContact CZ-OE2 3.69Å; R351-E380 VanDerWaalsContact CZ-OE2 3.31Å; R351-E380 IonicContact NH1-OE1 2.93Å; R351-E380 PolarHBondContact NH1-OE1 3.43Å; R351-E380 IonicContact NH1-OE2 2.83Å; R351-E380 PolarHBondContact NH1-OE2 2.88Å; R351-E380 IonicContact NH2-OE1 2.85Å; R351-E380 PolarHBondContact NH2-OE1 3.41Å; R351-E380 IonicContact NH2-OE2 3.11Å; R351-E380 PolarHBondContact NH2-OE2 2.95Å; H352-E380 IonicContact CE1-OE1 2.65Å; E380-Y382 HydrophobicContact CB-CE1 4.34Å; E380-Y382 PolarHBondContact O-N 3.21Å; E380-Y382 VanDerWaalsContact O-N 3.1Å; E380-L469 HydrophobicContact CG-CD2 3.89Å; E380-H557 IonicContact OE2-CE1 2.7Å; E380-H557 IonicContact OE2-CG 2.77Å; E380-H557 IonicContact OE2-ND1 3.27Å; E380-H557 PolarHBondContact OE2-ND1 3.05Å
381	N	75.8	Confident	52	Low	5 Å²	5	65.4 Å²	65.4	3%	0.027	35%	0.352	C	S	.	.			trans	-78.3	95.2	170.9	-161.4	-53	0	0	0	110.5	K78 V383 V384 E468 D470 H571 E575	K78-N381 WeakPolarHBondContact CE-ND2 3.31Å; K78-N381 PolarHBondContact NZ-ND2 3.32Å; N381-V383 PolarHBondContact O-N 2.68Å; N381-V383 VanDerWaalsContact OD1-CB 3.32Å; N381-V383 WeakPolarHBondContact OD1-CB 3.44Å; N381-V383 WeakPolarHBondContact OD1-CG2 3.27Å; N381-V383 PolarHBondContact OD1-N 3.48Å; N381-V383 VanDerWaalsContact OD1-N 3.09Å; N381-V384 HydrophobicContact CB-CG2 4.07Å; N381-V384 PolarHBondContact O-N 3.34Å; N381-E468 HydrophobicContact CB-CB 3.88Å; N381-E468 WeakPolarHBondContact CB-O 3.36Å; N381-E468 PolarHBondContact N-O 2.95Å; N381-D470 WeakPolarHBondContact CA-OD2 3.32Å; N381-D470 WeakPolarHBondContact CB-OD2 3.46Å; N381-D470 PolarHBondContact ND2-OD1 3.1Å; N381-D470 PolarHBondContact ND2-OD2 2.83Å; N381-H571 PolarHBondContact OD1-NE2 2.8Å; N381-E575 PolarHBondContact ND2-OE1 2.78Å
382	Y	74.8	Confident	51.4	Low	33 Å²	33	67.3 Å²	67.3	13%	0.129	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20	-178.9	-56.4	-62.2	0	0	0	114.2	E380 F546 H557 A568 H571 F572	E380-Y382 HydrophobicContact CB-CE1 4.34Å; E380-Y382 PolarHBondContact O-N 3.21Å; E380-Y382 VanDerWaalsContact O-N 3.1Å; Y382-F546 AromaticContact CD1-CE2 3.86Å; Y382-F546 HydrophobicContact CD1-CE2 3.86Å; Y382-F546 AromaticContact CD1-CZ 3.58Å; Y382-F546 HydrophobicContact CD1-CZ 3.58Å; Y382-F546 HydrophobicContact CE1-CZ 4.39Å; Y382-F546 HydrophobicContact CG-CE2 4.15Å; Y382-F546 AromaticContact CG-CZ 3.84Å; Y382-F546 HydrophobicContact CG-CZ 3.84Å; Y382-H557 AromaticContact CD1-ND1 3.97Å; Y382-H557 HydrophobicContact CE1-CB 4.29Å; Y382-A568 HydrophobicContact CD2-CB 3.78Å; Y382-A568 HydrophobicContact CE2-CB 4.07Å; Y382-A568 HydrophobicContact CG-CB 4.15Å; Y382-H571 HydrophobicContact CD2-CB 4.23Å; Y382-F572 WeakPolarHBondContact O-CZ 3.25Å
383	V	72.2	Confident	50.7	Low	25 Å²	25	68.2 Å²	68.2	15%	0.152	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-26.3	-178.8	-164.7	0	0	0	0	112.6	N381 R542 F572 E575 Y576	N381-V383 PolarHBondContact O-N 2.68Å; N381-V383 VanDerWaalsContact OD1-CB 3.32Å; N381-V383 WeakPolarHBondContact OD1-CB 3.44Å; N381-V383 WeakPolarHBondContact OD1-CG2 3.27Å; N381-V383 PolarHBondContact OD1-N 3.48Å; N381-V383 VanDerWaalsContact OD1-N 3.09Å; V383-R542 HydrophobicContact CG1-CG 4.39Å; V383-R542 PolarHBondContact O-NE 3.36Å; V383-R542 PolarHBondContact O-NH2 2.85Å; V383-F572 HydrophobicContact CB-CD1 4.45Å; V383-F572 HydrophobicContact CB-CE1 3.95Å; V383-F572 HydrophobicContact CB-CZ 4.49Å; V383-F572 HydrophobicContact CG1-CD1 4.4Å; V383-F572 HydrophobicContact CG1-CE1 3.96Å; V383-F572 HydrophobicContact CG2-CD1 3.69Å; V383-F572 HydrophobicContact CG2-CE1 3.62Å; V383-F572 HydrophobicContact CG2-CG 4.3Å; V383-F572 HydrophobicContact CG2-CZ 4.19Å; V383-E575 HydrophobicContact CG2-CB 3.81Å; V383-E575 HydrophobicContact CG2-CG 3.68Å; V383-Y576 HydrophobicContact CG1-CE2 4.41Å
384	V	61.1	Low	49.7	Very low	44 Å²	44	72 Å²	72	27%	0.267	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-23.4	-171.5	-178.8	0	0	0	0	112.8	N381 N466 E468	N381-V384 HydrophobicContact CB-CG2 4.07Å; N381-V384 PolarHBondContact O-N 3.34Å; V384-N466 HydrophobicContact CG1-CB 3.98Å; V384-E468 HydrophobicContact CG1-CG 4.16Å; V384-E468 HydrophobicContact CG2-CB 4.24Å; V384-E468 HydrophobicContact CG2-CG 4.26Å
385	S	50.9	Low	48.5	Very low	36 Å²	36	68 Å²	68	25%	0.252	39%	0.385	S	S	.	.	S	Bend	trans	-66.8	144.2	-179.4	-164	0	0	0	0	112.7	R542 H557	S385-R542 PolarHBondContact O-NH2 3.29Å; S385-H557 VanDerWaalsContact CB-CE1 3.45Å; S385-H557 WeakPolarHBondContact CB-CE1 3.5Å; S385-H557 VanDerWaalsContact CB-NE2 3.29Å; S385-H557 WeakPolarHBondContact CB-NE2 3.36Å; S385-H557 PolarHBondContact OG-CE1 2.94Å; S385-H557 PolarHBondContact OG-NE2 3.17Å
386	S	40.7	Very low	47	Very low	54 Å²	54	71.4 Å²	71.4	38%	0.378	40%	0.401	S	S	.	.	S	Bend	trans	68.7	51.7	172.7	-46.2	0	0	0	0	118	R545 E549	S386-R545 PolarHBondContact O-NH2 2.95Å; S386-E549 WeakPolarHBondContact CB-OE1 3.35Å; S386-E549 WeakPolarHBondContact CB-OE2 3.23Å; S386-E549 PolarHBondContact OG-OE2 3.44Å
387	G	34.8	Very low	45.2	Very low	21 Å²	21	79.1 Å²	79.1	22%	0.216	44%	0.436	C	S	.	.			trans	37.7	116	144.6	0	0	0	0	0	120.7	T389 R545	G387-T389 PolarHBondContact O-N 3.12Å; G387-R545 PolarHBondContact O-NH2 3.32Å
388	N	28.1	Very low	43.2	Very low	119 Å²	119	82 Å²	82	64%	0.636	46%	0.458	S	S	*	.			trans	-51.2	106.7	167.3	-77.2	-13.1	0	0	0	112.1	P390	N388-P390 WeakPolarHBondContact O-CD 3.33Å
389	T	25.5	Very low	41	Very low	94 Å²	94	89.5 Å²	89.5	58%	0.577	49%	0.491	S	S	*	.			trans	-65.2	118.3	156.8	40.9	0	0	0	0	107.2	G387 R545	G387-T389 PolarHBondContact O-N 3.12Å; T389-R545 PolarHBondContact OG1-NH1 3.13Å
390	P	25.1	Very low	38.7	Very low	110 Å²	110	95.9 Å²	95.9	71%	0.714	52%	0.522	S	S	*	.			trans	-60.7	144.9	170.1	28.1	-33.8	0	0	0	108.5	N388 S392	N388-P390 WeakPolarHBondContact O-CD 3.33Å; P390-S392 PolarHBondContact O-N 3.49Å
391	F	24	Very low	36.6	Very low	194 Å²	194	105.3 Å²	105.3	85%	0.851	56%	0.559	S	S	*	*			trans	-55.3	109.5	170.5	-83.5	-107.6	0	0	0	108.8
392	S	24.7	Very low	34.4	Very low	103 Å²	103	109.3 Å²	109.3	72%	0.72	59%	0.592	S	S	*	*			trans	-98	115.7	162.3	58.2	0	0	0	0	106.9	P390 I394	P390-S392 PolarHBondContact O-N 3.49Å; S392-I394 PolarHBondContact O-N 3.25Å; S392-I394 VanDerWaalsContact O-N 3.09Å
393	D	24.7	Very low	32.1	Very low	147 Å²	147	114.2 Å²	114.2	79%	0.786	63%	0.626	S	S	*	*			trans	-57.3	114	-167.7	-54	-84.6	0	0	0	112.7	P395	D393-P395 WeakPolarHBondContact O-CD 3.36Å
394	I	25	Very low	30	Very low	157 Å²	157	120.6 Å²	120.6	81%	0.805	66%	0.659	S	S	*	*			trans	-82.8	111.4	147.9	-60.7	178.1	0	0	0	104.7	S392 F396	S392-I394 PolarHBondContact O-N 3.25Å; S392-I394 VanDerWaalsContact O-N 3.09Å; I394-F396 PolarHBondContact O-N 3.32Å
395	P	24.4	Very low	28.4	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	69%	0.689	S	S	*	*			trans	-69.7	98.6	-179.1	28	-34	0	0	0	109.5	D393 E397	D393-P395 WeakPolarHBondContact O-CD 3.36Å; P395-E397 PolarHBondContact O-N 3.37Å
396	F	24.7	Very low	27.4	Very low	177 Å²	177	131.6 Å²	131.6	78%	0.776	72%	0.716	S	S	*	*			trans	-70.6	108.9	167.5	-162.5	-87.5	0	0	0	107.8	I394 S398	I394-F396 PolarHBondContact O-N 3.32Å; F396-S398 PolarHBondContact O-N 2.88Å
397	E	23.7	Very low	26.7	Very low	165 Å²	165	139.3 Å²	139.3	77%	0.771	74%	0.743	S	S	*	*			trans	-71.2	64.6	175.2	-74.1	-157.4	137.3	0	0	111.7	P395 K399	P395-E397 PolarHBondContact O-N 3.37Å; E397-K399 PolarHBondContact O-N 2.8Å
398	S	26.9	Very low	26.4	Very low	84 Å²	84	142 Å²	142	59%	0.587	77%	0.771	S	S	*	*			trans	-69.2	84.5	161.7	45.1	0	0	0	0	108.9	F396 L400	F396-S398 PolarHBondContact O-N 2.88Å; S398-L400 PolarHBondContact O-N 2.9Å
399	K	26.8	Very low	26.1	Very low	164 Å²	164	145.5 Å²	145.5	71%	0.713	78%	0.783	S	S	*	*			trans	-52.2	116.7	172.6	-77	177.9	178	168.9	0	109.7	E397 Y401	E397-K399 PolarHBondContact O-N 2.8Å; K399-Y401 PolarHBondContact O-N 3.41Å; K399-Y401 VanDerWaalsContact O-N 3.08Å
400	L	26	Very low	26.2	Very low	160 Å²	160	148.9 Å²	148.9	84%	0.838	80%	0.796	S	S	*	*			trans	-56.3	115.8	173.1	-91	73.8	0	0	0	109.8	S398	S398-L400 PolarHBondContact O-N 2.9Å
401	Y	28.7	Very low	26.3	Very low	211 Å²	211	149.4 Å²	149.4	83%	0.827	79%	0.793	S	S	*	*			trans	-107.2	96.8	149.4	-83.1	-79.4	0	0	0	107.9	K399 T403	K399-Y401 PolarHBondContact O-N 3.41Å; K399-Y401 VanDerWaalsContact O-N 3.08Å; Y401-T403 PolarHBondContact O-N 3.37Å
402	A	29.4	Very low	26.3	Very low	89 Å²	89	150.5 Å²	150.5	74%	0.736	80%	0.798	S	S	*	*			trans	-64.7	123	175.1	0	0	0	0	0	109.7	N404	A402-N404 PolarHBondContact O-N 2.92Å
403	T	26.9	Very low	26.2	Very low	135 Å²	135	149.1 Å²	149.1	83%	0.828	79%	0.788	S	S	*	*			trans	-70.6	112.8	177.7	48.4	0	0	0	0	110.8	Y401	Y401-T403 PolarHBondContact O-N 3.37Å
404	N	28.9	Very low	26.4	Very low	160 Å²	160	151.8 Å²	151.8	86%	0.856	79%	0.793	S	S	*	*			trans	-101.4	130.7	159.6	-98.8	-34.9	0	0	0	108.9	A402 S406	A402-N404 PolarHBondContact O-N 2.92Å; N404-S406 PolarHBondContact O-N 3.27Å
405	H	27.1	Very low	26.4	Very low	192 Å²	192	151.4 Å²	151.4	89%	0.889	80%	0.798	S	S	*	*			trans	-69.6	128.3	-176	-67.3	-86.6	0	0	0	112.9
406	S	29	Very low	26.6	Very low	119 Å²	119	151.5 Å²	151.5	83%	0.832	80%	0.801	S	S	*	*			trans	-152.8	144.7	145.7	53.5	0	0	0	0	112.2	N404	N404-S406 PolarHBondContact O-N 3.27Å
407	K	26	Very low	26.5	Very low	215 Å²	215	147.7 Å²	147.7	94%	0.935	80%	0.796	S	S	*	*			trans	-61.2	144	-167.5	-58.6	168.8	176.9	-179	0	114.2
408	G	27.9	Very low	26.7	Very low	78 Å²	78	147.9 Å²	147.9	80%	0.804	80%	0.797	S	S	*	*			trans	-165.3	124.1	160.1	0	0	0	0	0	110.7
409	E	22.9	Very low	26.8	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	81%	0.806	S	S	*	*			trans	-83	152.2	169.5	-61.4	162.8	123.6	0	0	109.5
410	I	28	Very low	26.8	Very low	166 Å²	166	151.2 Å²	151.2	85%	0.851	82%	0.815	S	S	*	*			trans	-171.2	146.1	139.2	-100.3	152.5	0	0	0	112
411	D	26.2	Very low	27	Very low	121 Å²	121	148.9 Å²	148.9	65%	0.647	81%	0.809	S	S	*	*			trans	-45.1	147.1	179.8	-177.5	28	0	0	0	118	S413	D411-S413 WeakPolarHBondContact OD2-CB 3.28Å; D411-S413 PolarHBondContact OD2-OG 3.26Å
412	F	25.2	Very low	26.7	Very low	216 Å²	216	146.4 Å²	146.4	95%	0.947	81%	0.809	S	S	*	*			trans	-103	82	172.7	-94.5	-88.7	0	0	0	111
413	S	22.3	Very low	26.7	Very low	74 Å²	74	148 Å²	148	52%	0.517	81%	0.809	S	S	.	*			trans	-139.1	68.2	179.4	66	0	0	0	0	115.2	D411	D411-S413 WeakPolarHBondContact OD2-CB 3.28Å; D411-S413 PolarHBondContact OD2-OG 3.26Å
414	K	28.4	Very low	26.5	Very low	203 Å²	203	149 Å²	149	88%	0.883	81%	0.81	S	S	*	*			trans	-177	127.1	145.4	-98.9	141.8	-161.8	167.8	0	113.3
415	V	24.4	Very low	26.6	Very low	150 Å²	150	146.2 Å²	146.2	91%	0.909	80%	0.802	S	S	*	*			trans	-114.1	134.3	157.2	174.6	0	0	0	0	107.4
416	S	28.2	Very low	26.4	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	80%	0.803	S	S	*	*			trans	-152.5	132.2	165.1	59	0	0	0	0	110
417	S	24	Very low	26.3	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	80%	0.8	S	S	*	*			trans	-68.1	145.4	177.8	48.7	0	0	0	0	113
418	H	26.9	Very low	26.1	Very low	169 Å²	169	142.7 Å²	142.7	78%	0.782	80%	0.797	S	S	*	*				-175.2	172.7	116.9	-103.8	-72.6	0	0	0	112.8
419	D	29.2	Very low	26.1	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	80%	0.797	S	S	*	*			trans	70.8	93.7	162.5	-57	-17.3	0	0	0	120.7
420	L	26.4	Very low	26.3	Very low	172 Å²	172	141.1 Å²	141.1	90%	0.901	79%	0.789	S	S	*	*			trans	-105.3	121	148.6	-85.7	166.1	0	0	0	108.7
421	P	30.3	Very low	26.2	Very low	112 Å²	112	139.9 Å²	139.9	73%	0.727	78%	0.784	S	S	*	*			trans	-82.9	135.5	-174.2	31.2	-34.3	0	0	0	113.4
422	I	23.5	Very low	26.6	Very low	158 Å²	158	139.7 Å²	139.7	81%	0.81	79%	0.789	S	S	*	*			trans	-72.8	131.1	170.6	-63.2	164.7	0	0	0	109.5
423	V	29.1	Very low	26.7	Very low	122 Å²	122	136 Å²	136	74%	0.739	78%	0.779	S	S	*	*			trans	-116.1	111.1	170.5	-179.2	0	0	0	0	110.1
424	N	23	Very low	27.1	Very low	158 Å²	158	141.5 Å²	141.5	85%	0.845	80%	0.796	S	S	*	*			trans	-124.8	110	171.2	-120.7	-20.8	0	0	0	107.5
425	S	30.1	Very low	27	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	78%	0.781	S	S	*	*			trans	-154.5	114.6	174.3	58.3	0	0	0	0	112.8
426	I	23.6	Very low	26.9	Very low	177 Å²	177	136 Å²	136	91%	0.908	78%	0.777	S	S	*	*			trans	-80.6	133.5	169.1	-65.3	165.2	0	0	0	108.5
427	G	26.9	Very low	27	Very low	73 Å²	73	138.8 Å²	138.8	75%	0.753	78%	0.781	S	S	*	*			trans	-143.9	126.1	177.4	0	0	0	0	0	113.1
428	K	21.8	Very low	26.9	Very low	202 Å²	202	138.7 Å²	138.7	88%	0.878	79%	0.786	S	S	*	*			trans	-104.4	123.9	174.6	-68.5	177.5	177.4	177.5	0	110.6
429	V	28.6	Very low	27	Very low	133 Å²	133	139.9 Å²	139.9	81%	0.806	79%	0.792	S	S	*	*			trans	-148.6	95.8	164.5	-175.3	0	0	0	0	106.2
430	S	27.2	Very low	26.7	Very low	104 Å²	104	143 Å²	143	73%	0.727	80%	0.798	S	S	*	*				59.6	108.6	80.8	74	0	0	0	0	115.4
431	N	25.9	Very low	26.7	Very low	140 Å²	140	139.2 Å²	139.2	75%	0.749	79%	0.791	S	S	*	*			trans	-70.3	151	172.5	-164.4	7.5	0	0	0	111.1
432	P	34.7	Very low	26.6	Very low	116 Å²	116	143 Å²	143	75%	0.753	80%	0.8	S	S	*	*				-147.5	166.3	109.7	39.3	-24.5	0	0	0	116.3
433	N	25.4	Very low	26.6	Very low	138 Å²	138	144 Å²	144	74%	0.738	80%	0.801	S	S	*	*			trans	-64.7	154.9	177.2	-51.7	-46.4	0	0	0	114.1
434	H	31.9	Very low	26.6	Very low	190 Å²	190	144.1 Å²	144.1	88%	0.88	81%	0.807	S	S	*	*			trans	-152.1	178.3	130.9	-119.6	-70.5	0	0	0	112.9
435	S	25.4	Very low	26.6	Very low	81 Å²	81	143.9 Å²	143.9	57%	0.566	81%	0.806	S	S	*	*			trans	-123.7	149.2	-152.2	55	0	0	0	0	114.5
436	I	23.9	Very low	26.6	Very low	158 Å²	158	144.9 Å²	144.9	81%	0.81	81%	0.813	S	S	*	*			trans	30.5	116.5	141.1	-50.1	170.2	0	0	0	117.3
437	I	28.6	Very low	26.8	Very low	168 Å²	168	142.8 Å²	142.8	86%	0.862	81%	0.808	S	S	*	*			trans	-142.4	146.8	140.2	-99.6	155.9	0	0	0	107.7
438	A	22.9	Very low	26.6	Very low	94 Å²	94	144.4 Å²	144.4	78%	0.777	81%	0.807	S	S	*	*			trans	-125.8	146.5	174.2	0	0	0	0	0	110.2
439	Q	29	Very low	26.9	Very low	195 Å²	195	144.7 Å²	144.7	91%	0.911	81%	0.809	S	S	*	*			trans	-137	147.4	168.1	-83.6	-172.6	-25.8	0	0	111.2
440	K	23.2	Very low	26.6	Very low	212 Å²	212	150.5 Å²	150.5	92%	0.922	82%	0.816	S	S	*	*			trans	-124.4	130.1	173.3	-85.3	-175.5	169.7	-173.3	0	108.6
441	A	25.8	Very low	26.7	Very low	91 Å²	91	150.6 Å²	150.6	75%	0.752	82%	0.817	S	S	*	*			trans	-174.3	149.5	157.3	0	0	0	0	0	106.6
442	E	28.2	Very low	26.6	Very low	193 Å²	193	149.9 Å²	149.9	90%	0.902	82%	0.823	S	S	*	*			cis	-150.9	170.6	-4.5	-135.8	162.9	-147.7	0	0	110
443	E	23.6	Very low	26.2	Very low	178 Å²	178	153.4 Å²	153.4	83%	0.832	83%	0.826	S	S	*	*			trans	-87.6	149.4	-178.2	-59.9	-176.7	136.8	0	0	112.8
444	S	29.1	Very low	26.2	Very low	125 Å²	125	152.1 Å²	152.1	87%	0.874	83%	0.828	S	S	*	*			trans	-147	121.3	151.7	56.3	0	0	0	0	111.7
445	N	24	Very low	25.8	Very low	153 Å²	153	149.3 Å²	149.3	82%	0.818	83%	0.825	S	S	*	*			trans	-95.7	136.2	174.7	-87.8	-63.9	0	0	0	110.4
446	S	30.1	Very low	25.8	Very low	121 Å²	121	150.4 Å²	150.4	85%	0.846	83%	0.832	S	S	*	*			trans	-146.4	151	159.2	67.8	0	0	0	0	111.1
447	V	26.8	Very low	25.7	Very low	134 Å²	134	150.1 Å²	150.1	81%	0.812	83%	0.827	S	S	*	*			trans	-109.2	129.9	-154.6	171.3	0	0	0	0	113
448	S	23.3	Very low	25.5	Very low	106 Å²	106	151.7 Å²	151.7	74%	0.741	83%	0.828	S	S	*	*			trans	20	127.7	162.1	73.2	0	0	0	0	120.3
449	K	28.2	Very low	25.5	Very low	209 Å²	209	153.9 Å²	153.9	91%	0.909	82%	0.822	S	S	*	*			trans	-136.2	137	138.3	-106.6	170.8	-175.5	172.7	0	110.4
450	R	22.6	Very low	25.1	Very low	254 Å²	254	154.1 Å²	154.1	96%	0.958	82%	0.823	S	S	*	*			trans	-72.9	130.1	178.5	-71.3	173.3	169.8	162.9	-5.3	110.3
451	S	28.2	Very low	25.3	Very low	107 Å²	107	150.2 Å²	150.2	75%	0.748	81%	0.811	S	S	*	*			trans	-142.3	145.4	151.4	59.9	0	0	0	0	109.1	K453	S451-K453 PolarHBondContact O-N 3.15Å
452	S	24.1	Very low	25.4	Very low	124 Å²	124	150.1 Å²	150.1	87%	0.867	80%	0.804	S	S	*	*			trans	-73.5	117.2	-176.5	47.2	0	0	0	0	111
453	K	26.2	Very low	25.8	Very low	191 Å²	191	146.9 Å²	146.9	83%	0.83	79%	0.787	S	S	*	*			trans	-106.7	126.2	161.7	-74.7	-170.1	174.3	-175.3	0	109.4	S451	S451-K453 PolarHBondContact O-N 3.15Å
454	S	26	Very low	26.2	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	76%	0.764	S	S	*	*			trans	-63.1	132.7	164.5	34.6	0	0	0	0	109.5	S456	S454-S456 VanDerWaalsContact C-N 3.28Å; S454-S456 PolarHBondContact O-N 3.35Å
455	T	23.1	Very low	26.9	Very low	132 Å²	132	136.9 Å²	136.9	81%	0.81	73%	0.731	S	S	*	*			trans	-78	75.3	176.7	33.2	0	0	0	0	111.2	Q457	T455-Q457 VanDerWaalsContact C-N 3.25Å; T455-Q457 PolarHBondContact O-N 2.75Å; T455-Q457 VanDerWaalsContact O-N 3.07Å
456	S	24.4	Very low	28.3	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	71%	0.707	S	S	*	*			trans	-75.1	81.3	159.3	41	0	0	0	0	109.4	S454 K458	S454-S456 VanDerWaalsContact C-N 3.28Å; S454-S456 PolarHBondContact O-N 3.35Å; S456-K458 VanDerWaalsContact C-N 3.26Å; S456-K458 PolarHBondContact O-N 3.14Å
457	Q	22.6	Very low	30.1	Very low	152 Å²	152	128.5 Å²	128.5	71%	0.71	68%	0.675	S	S	*	*			trans	-66.2	87.7	168.7	-76	-178.7	-81.9	0	0	109.6	T455 H459	T455-Q457 VanDerWaalsContact C-N 3.25Å; T455-Q457 PolarHBondContact O-N 2.75Å; T455-Q457 VanDerWaalsContact O-N 3.07Å; Q457-H459 VanDerWaalsContact C-N 3.32Å; Q457-H459 PolarHBondContact O-N 2.9Å
458	K	23.2	Very low	32.6	Very low	201 Å²	201	122.7 Å²	122.7	87%	0.874	64%	0.639	S	S	*	*			trans	-65.2	97	159.2	-75.7	-166.1	171.4	-163.2	0	107.7	S456 E460	S456-K458 VanDerWaalsContact C-N 3.26Å; S456-K458 PolarHBondContact O-N 3.14Å; K458-E460 PolarHBondContact O-N 3.21Å
459	H	23.7	Very low	35.3	Very low	140 Å²	140	117.7 Å²	117.7	65%	0.648	60%	0.604	S	S	*	*			trans	-68.7	124.4	162.7	-84.1	-86.1	0	0	0	108.4	Q457 I461	Q457-H459 VanDerWaalsContact C-N 3.32Å; Q457-H459 PolarHBondContact O-N 2.9Å; H459-I461 HydrophobicContact CB-CG1 3.99Å; H459-I461 PolarHBondContact O-N 3.48Å
460	E	21.4	Very low	37.6	Very low	201 Å²	201	108 Å²	108	94%	0.939	56%	0.562	S	S	*	*			trans	-68.9	87.6	162.5	-68.1	178.1	108.8	0	0	107.6	K458 S462	K458-E460 PolarHBondContact O-N 3.21Å; E460-S462 PolarHBondContact O-N 2.91Å
461	I	27.5	Very low	40.2	Very low	129 Å²	129	98.8 Å²	98.8	66%	0.662	53%	0.527	S	S	*	.			trans	-73.4	121.9	178.2	-66.6	-178.2	0	0	0	108.2	H459	H459-I461 HydrophobicContact CB-CG1 3.99Å; H459-I461 PolarHBondContact O-N 3.48Å
462	S	27.2	Very low	42.1	Very low	89 Å²	89	95.3 Å²	95.3	62%	0.622	50%	0.502	S	S	*	.			trans	-75.2	-168.2	179.4	68.2	0	0	0	0	111.2	E460	E460-S462 PolarHBondContact O-N 2.91Å
463	K	35.7	Very low	44.3	Very low	125 Å²	125	90.4 Å²	90.4	54%	0.543	47%	0.465	S	S	.	.				-123.9	148	-127	-46.7	-155.2	-166.6	-178.1	0	113.6	A4 A6	A4-K463 WeakPolarHBondContact CB-O 3.44Å; A6-K463 HydrophobicContact CB-CB 4.48Å
464	L	33.4	Very low	46.3	Very low	66 Å²	66	87.1 Å²	87.1	35%	0.346	46%	0.461	S	S	.	.			trans	-151.7	138.3	-167.4	-45.5	165.9	0	0	0	110.7	S5 A6 K83	S5-L464 CarbonylContact C-O 3.44Å; A6-L464 WeakPolarHBondContact CA-O 3.27Å; A6-L464 HydrophobicContact CB-CB 4.03Å; A6-L464 HydrophobicContact CB-CG 4.35Å; A6-L464 WeakPolarHBondContact CB-O 3.33Å; A6-L464 PolarHBondContact N-O 3.37Å; K83-L464 HydrophobicContact CD-CD2 4.37Å; K83-L464 HydrophobicContact CG-CD2 4.18Å
465	P	42.4	Very low	48.4	Very low	27 Å²	27	83.9 Å²	83.9	18%	0.175	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-92.6	144.3	-178.9	37.1	-25.1	0	0	0	111.5	Y3 F467	Y3-P465 VanDerWaalsContact O-CD 3.29Å; Y3-P465 WeakPolarHBondContact O-CD 3.32Å; Y3-P465 VanDerWaalsContact O-CG 3.28Å; Y3-P465 WeakPolarHBondContact O-CG 3.24Å; P465-F467 HydrophobicContact CG-CE2 4.19Å
466	N	54.3	Low	51	Low	60 Å²	60	78.6 Å²	78.6	32%	0.321	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-86	122.1	165.1	-68.4	0.5	0	0	0	108.1	V384	V384-N466 HydrophobicContact CG1-CB 3.98Å
467	F	68.3	Low	53.7	Low	38 Å²	38	74 Å²	74	17%	0.167	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.4	156.2	-66.3	-98	0	0	0	107.1	F81 H352 Y355 P465	F81-F467 HydrophobicContact CB-CB 3.98Å; F81-F467 HydrophobicContact CD2-CB 4.1Å; F81-F467 WeakPolarHBondContact CD2-O 3.38Å; F81-F467 HydrophobicContact CG-CB 4.18Å; F81-F467 PolarHBondContact N-O 2.88Å; H352-F467 AromaticContact NE2-CD1 3.55Å; H352-F467 AromaticContact NE2-CG 4Å; Y355-F467 AromaticContact CE2-CD2 4Å; Y355-F467 HydrophobicContact CE2-CD2 4Å; Y355-F467 HydrophobicContact CE2-CE2 4.35Å; P465-F467 HydrophobicContact CG-CE2 4.19Å
468	E	78.8	Confident	56.5	Low	13 Å²	13	68.6 Å²	68.6	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.7	166.4	-70.3	-167.1	-149.6	0	0	107.8	R41 K78 L79 C80 N381 V384	R41-E468 IonicContact CZ-OE1 3.84Å; R41-E468 IonicContact CZ-OE2 2.82Å; R41-E468 IonicContact NH2-OE1 2.98Å; R41-E468 PolarHBondContact NH2-OE1 3.07Å; R41-E468 IonicContact NH2-OE2 3.35Å; R41-E468 PolarHBondContact NH2-OE2 3.14Å; K78-E468 WeakPolarHBondContact CD-OE2 3.46Å; L79-E468 WeakPolarHBondContact O-CA 3.46Å; C80-E468 HydrophobicContact CB-CG 4.34Å; N381-E468 HydrophobicContact CB-CB 3.88Å; N381-E468 WeakPolarHBondContact CB-O 3.36Å; N381-E468 PolarHBondContact N-O 2.95Å; V384-E468 HydrophobicContact CG1-CG 4.16Å; V384-E468 HydrophobicContact CG2-CB 4.24Å; V384-E468 HydrophobicContact CG2-CG 4.26Å
469	L	79.6	Confident	59.6	Low	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128	172.7	-58.9	174	0	0	0	108.9	K78 L79 F81 M152 I156 W378 S379 E380	K78-L469 CarbonylContact C-O 3.55Å; K78-L469 VanDerWaalsContact CA-O 3.26Å; K78-L469 WeakPolarHBondContact CA-O 3.36Å; L79-L469 HydrophobicContact CB-CB 4.33Å; L79-L469 PolarHBondContact N-O 3.07Å; L79-L469 PolarHBondContact O-N 3.46Å; F81-L469 HydrophobicContact CE2-CB 4.37Å; F81-L469 HydrophobicContact CE2-CD1 3.55Å; F81-L469 HydrophobicContact CE2-CG 3.7Å; F81-L469 HydrophobicContact CZ-CD1 3.63Å; F81-L469 HydrophobicContact CZ-CG 4.28Å; M152-L469 HydrophobicContact CE-CD1 4.2Å; M152-L469 HydrophobicContact SD-CD1 4.44Å; I156-L469 HydrophobicContact CD1-CD1 3.49Å; I156-L469 VanDerWaalsContact CD1-CD1 3.49Å; I156-L469 HydrophobicContact CD1-CD2 4.09Å; I156-L469 HydrophobicContact CD1-CG 4.37Å; I156-L469 HydrophobicContact CG1-CD1 4.49Å; W378-L469 HydrophobicContact CB-CB 4.18Å; W378-L469 HydrophobicContact CB-CD1 4.45Å; W378-L469 HydrophobicContact CE3-CB 4.1Å; S379-L469 CarbonylContact O-C 3.58Å; S379-L469 WeakPolarHBondContact O-CA 3.39Å; E380-L469 HydrophobicContact CG-CD2 3.89Å
470	D	77.6	Confident	62.9	Low	7 Å²	7	54.5 Å²	54.5	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.9	176.3	-52.3	-55.9	0	0	0	110	K78 W378 S379 N381 V472 H571	K78-D470 WeakPolarHBondContact CD-OD1 3.5Å; K78-D470 WeakPolarHBondContact CE-OD1 3.49Å; K78-D470 VanDerWaalsContact CG-OD1 3.27Å; K78-D470 WeakPolarHBondContact CG-OD1 3.49Å; K78-D470 IonicContact NZ-OD1 3.35Å; W378-D470 CarbonylContact C-O 3.25Å; W378-D470 VanDerWaalsContact CA-O 3.29Å; W378-D470 WeakPolarHBondContact CA-O 3.5Å; S379-D470 PolarHBondContact N-O 2.84Å; S379-D470 PolarHBondContact O-N 3.49Å; N381-D470 WeakPolarHBondContact CA-OD2 3.32Å; N381-D470 WeakPolarHBondContact CB-OD2 3.46Å; N381-D470 PolarHBondContact ND2-OD1 3.1Å; N381-D470 PolarHBondContact ND2-OD2 2.83Å; D470-V472 PolarHBondContact O-N 3.15Å; D470-H571 IonicContact OD2-CE1 2.66Å; D470-H571 PolarHBondContact OD2-CE1 2.8Å; D470-H571 IonicContact OD2-NE2 3.58Å; D470-H571 PolarHBondContact OD2-NE2 2.93Å; D470-H571 VanDerWaalsContact OD2-NE2 3.15Å
471	R	77.2	Confident	66.3	Low	59 Å²	59	48.5 Å²	48.5	22%	0.223	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	109.3	170	-178.4	-179.6	178.1	148.5	6.1	108.6	Q77 W378 F473 T474	Q77-R471 HydrophobicContact CB-CB 4.11Å; Q77-R471 WeakPolarHBondContact O-CB 3.5Å; Q77-R471 PolarHBondContact O-N 3.28Å; W378-R471 HydrophobicContact CD2-CB 4.16Å; W378-R471 HydrophobicContact CE3-CB 3.84Å; W378-R471 HydrophobicContact CH2-CB 3.86Å; W378-R471 HydrophobicContact CZ2-CB 4.17Å; W378-R471 HydrophobicContact CZ2-CG 4.44Å; W378-R471 HydrophobicContact CZ3-CB 3.67Å; R471-F473 WeakPolarHBondContact CG-O 3.14Å; R471-F473 PolarHBondContact NE-O 3.29Å; R471-F473 PolarHBondContact O-N 3.19Å; R471-T474 PolarHBondContact NH2-O 3.4Å
472	V	68.5	Low	69.6	Low	35 Å²	35	43.1 Å²	43.1	21%	0.212	23%	0.226	C	C	.	.			trans	-67	-39.5	-172.6	-166.5	0	0	0	0	111.8	L377 S379 D470 T762	L377-V472 HydrophobicContact CB-CB 4.48Å; L377-V472 HydrophobicContact CB-CG2 4.32Å; L377-V472 HydrophobicContact CD2-CB 4.27Å; L377-V472 HydrophobicContact CD2-CG2 3.87Å; L377-V472 HydrophobicContact CG-CB 4.46Å; L377-V472 HydrophobicContact CG-CG2 3.87Å; L377-V472 PolarHBondContact O-N 2.91Å; S379-V472 WeakPolarHBondContact OG-CG2 3.43Å; D470-V472 PolarHBondContact O-N 3.15Å; V472-T762 HydrophobicContact CG1-CG2 3.78Å
473	F	70.1	Confident	72.8	Confident	21 Å²	21	39.1 Å²	39.1	9%	0.092	20%	0.198	C	C	.	.			trans	-140.6	155.6	-179.6	-66.1	-73.8	0	0	0	113.9	R471 H475 L477 G760 T762	R471-F473 WeakPolarHBondContact CG-O 3.14Å; R471-F473 PolarHBondContact NE-O 3.29Å; R471-F473 PolarHBondContact O-N 3.19Å; F473-H475 AromaticContact CD1-CE1 3.55Å; F473-H475 AromaticContact CD1-NE2 3.69Å; F473-H475 AromaticContact CD2-NE2 3.68Å; F473-H475 AromaticContact CE1-CE1 3.98Å; F473-H475 AromaticContact CG-CD2 3.94Å; F473-H475 AromaticContact CG-CE1 3.73Å; F473-H475 AromaticContact CG-NE2 3.37Å; F473-H475 WeakPolarHBondContact CG-NE2 3.33Å; F473-L477 HydrophobicContact CD2-CD1 3.96Å; F473-L477 HydrophobicContact CD2-CD2 4.17Å; F473-L477 HydrophobicContact CD2-CG 4.25Å; F473-L477 HydrophobicContact CE2-CD1 4.29Å; F473-G760 WeakPolarHBondContact CE2-O 3.47Å; F473-T762 HydrophobicContact CE1-CG2 3.93Å; F473-T762 HydrophobicContact CE2-CG2 3.75Å; F473-T762 HydrophobicContact CZ-CG2 3.22Å
474	T	66.9	Low	75.5	Confident	121 Å²	121	37 Å²	37	74%	0.742	19%	0.19	S	C	*	.	S	Bend	trans	-78.1	-35.9	167.7	52.7	0	0	0	0	111.8	R471	R471-T474 PolarHBondContact NH2-O 3.4Å
475	H	70	Confident	78.1	Confident	42 Å²	42	36.4 Å²	36.4	19%	0.194	19%	0.191	C	C	.	.	S	Bend	trans	-71.4	170.6	174.6	67	-135.4	0	0	0	112.6	F473 L477 E758	F473-H475 AromaticContact CD1-CE1 3.55Å; F473-H475 AromaticContact CD1-NE2 3.69Å; F473-H475 AromaticContact CD2-NE2 3.68Å; F473-H475 AromaticContact CE1-CE1 3.98Å; F473-H475 AromaticContact CG-CD2 3.94Å; F473-H475 AromaticContact CG-CE1 3.73Å; F473-H475 AromaticContact CG-NE2 3.37Å; F473-H475 WeakPolarHBondContact CG-NE2 3.33Å; H475-L477 VanDerWaalsContact NE2-CD2 3.34Å; H475-L477 WeakPolarHBondContact NE2-CD2 3.44Å; H475-E758 VanDerWaalsContact CE1-CD 3.42Å; H475-E758 IonicContact CE1-OE1 3.05Å; H475-E758 PolarHBondContact CE1-OE1 2.96Å; H475-E758 IonicContact CE1-OE2 3.03Å; H475-E758 PolarHBondContact CE1-OE2 3.3Å; H475-E758 IonicContact CG-OE1 3.3Å; H475-E758 IonicContact ND1-OE1 3.85Å; H475-E758 PolarHBondContact ND1-OE1 3.28Å; H475-E758 IonicContact ND1-OE2 3.51Å; H475-E758 PolarHBondContact ND1-OE2 3.03Å
476	S	78.1	Confident	80.2	Confident	22 Å²	22	37.3 Å²	37.3	15%	0.154	20%	0.198	C	C	.	.			trans	-87.7	135.3	178.4	177.8	0	0	0	0	110.6	K375 S773	K375-S476 WeakPolarHBondContact O-CA 3.23Å; S476-S773 WeakPolarHBondContact CB-OG 3.32Å; S476-S773 WeakPolarHBondContact O-CB 3.37Å; S476-S773 PolarHBondContact O-N 3.46Å; S476-S773 PolarHBondContact O-OG 3.33Å; S476-S773 PolarHBondContact OG-OG 3.42Å
477	L	82.4	Confident	81.4	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.1	168.1	-61.7	-170.9	0	0	0	110.9	K375 L377 F473 H475 L770 L771 A772	K375-L477 WeakPolarHBondContact CB-O 3.48Å; K375-L477 WeakPolarHBondContact CD-O 3.36Å; K375-L477 PolarHBondContact O-N 3.17Å; L377-L477 HydrophobicContact CB-CD1 3.83Å; L377-L477 HydrophobicContact CD2-CD1 3.64Å; L377-L477 HydrophobicContact CG-CD1 4.37Å; F473-L477 HydrophobicContact CD2-CD1 3.96Å; F473-L477 HydrophobicContact CD2-CD2 4.17Å; F473-L477 HydrophobicContact CD2-CG 4.25Å; F473-L477 HydrophobicContact CE2-CD1 4.29Å; H475-L477 VanDerWaalsContact NE2-CD2 3.34Å; H475-L477 WeakPolarHBondContact NE2-CD2 3.44Å; L477-L770 HydrophobicContact CD1-CB 4.14Å; L477-L771 CarbonylContact C-O 3.39Å; L477-L771 VanDerWaalsContact CA-O 3.26Å; L477-L771 WeakPolarHBondContact CA-O 3.41Å; L477-A772 HydrophobicContact CD2-CB 4.41Å
478	E	81.3	Confident	82	Confident	38 Å²	38	40.5 Å²	40.5	18%	0.178	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165.4	172.8	67.6	-162.1	136.5	0	0	115.2	K375 R769 L771 S773 V776	K375-E478 HydrophobicContact CD-CB 3.75Å; K375-E478 VanDerWaalsContact NZ-CB 3.27Å; K375-E478 IonicContact NZ-OE2 3.55Å; K375-E478 PolarHBondContact NZ-OE2 2.84Å; E478-R769 CarbonylContact C-O 3.6Å; E478-L771 PolarHBondContact N-O 3.14Å; E478-L771 PolarHBondContact O-N 2.98Å; E478-S773 VanDerWaalsContact OE1-CA 3.31Å; E478-S773 WeakPolarHBondContact OE1-CA 3.41Å; E478-S773 WeakPolarHBondContact OE1-CB 3.44Å; E478-S773 PolarHBondContact OE1-OG 3.38Å; E478-V776 HydrophobicContact CG-CB 4.06Å; E478-V776 HydrophobicContact CG-CG1 4.25Å; E478-V776 HydrophobicContact CG-CG2 3.78Å
479	M	86.5	Confident	82.5	Confident	44 Å²	44	40.4 Å²	40.4	22%	0.217	22%	0.222	C	C	.	.			trans	-72.3	136	-179.8	-169.9	169.4	-71.8	0	0	111.2	L178 V179 H481 L483 P486 F768 R769	L178-M479 HydrophobicContact CB-CE 3.91Å; V179-M479 HydrophobicContact CG2-CE 3.61Å; V179-M479 HydrophobicContact CG2-SD 3.92Å; M479-H481 PolarHBondContact O-N 3.09Å; M479-L483 HydrophobicContact CG-CD1 3.92Å; M479-P486 HydrophobicContact SD-CB 3.7Å; M479-F768 WeakPolarHBondContact CA-O 3.5Å; M479-R769 WeakPolarHBondContact CA-O 3.45Å; M479-R769 HydrophobicContact CE-CB 3.92Å; M479-R769 HydrophobicContact CE-CG 3.94Å; M479-R769 PolarHBondContact N-O 3.4Å
480	F	93.4	Very high	82.9	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	24%	0.238	C	C	.	.			trans	-73.2	127.6	-175.3	-164	-128.6	0	0	0	112.2	L482 L483 L685 F768 L771 V776 A779 I787 F804	F480-L482 HydrophobicContact CD1-CB 3.93Å; F480-L482 HydrophobicContact CE1-CB 3.68Å; F480-L482 HydrophobicContact CE1-CD1 3.81Å; F480-L482 HydrophobicContact CE1-CG 3.95Å; F480-L482 HydrophobicContact CZ-CB 4.4Å; F480-L482 HydrophobicContact CZ-CD1 3.83Å; F480-L482 HydrophobicContact CZ-CG 4.17Å; F480-L482 PolarHBondContact O-N 2.94Å; F480-L483 PolarHBondContact O-N 2.92Å; F480-L685 HydrophobicContact CE1-CD2 4.38Å; F480-L685 HydrophobicContact CE2-CD2 4.16Å; F480-L685 HydrophobicContact CZ-CD2 3.59Å; F480-F768 HydrophobicContact CB-CB 4.23Å; F480-F768 HydrophobicContact CB-CD1 3.73Å; F480-F768 HydrophobicContact CB-CG 4.49Å; F480-F768 AromaticContact CD1-CD1 3.54Å; F480-F768 HydrophobicContact CD1-CD1 3.54Å; F480-F768 AromaticContact CD1-CE1 3.76Å; F480-F768 HydrophobicContact CD1-CE1 3.76Å; F480-F768 HydrophobicContact CE1-CD1 4.33Å; F480-F768 HydrophobicContact CE1-CE1 4.09Å; F480-F768 AromaticContact CG-CD1 3.83Å; F480-F768 HydrophobicContact CG-CD1 3.83Å; F480-F768 HydrophobicContact CG-CE1 4.35Å; F480-F768 PolarHBondContact N-O 3.47Å; F480-L771 HydrophobicContact CB-CD1 3.86Å; F480-L771 HydrophobicContact CB-CG 4.49Å; F480-L771 HydrophobicContact CD2-CD1 3.67Å; F480-L771 HydrophobicContact CE2-CD1 4.32Å; F480-L771 HydrophobicContact CG-CD1 3.82Å; F480-V776 HydrophobicContact CD2-CG1 4.24Å; F480-V776 HydrophobicContact CD2-CG2 4.19Å; F480-A779 HydrophobicContact CE2-CB 3.68Å; F480-A779 HydrophobicContact CZ-CB 3.94Å; F480-I787 HydrophobicContact CE1-CD1 3.8Å; F480-I787 HydrophobicContact CE1-CG1 4.38Å; F480-F804 HydrophobicContact CD1-CD1 4.47Å; F480-F804 HydrophobicContact CD1-CE1 4.34Å
481	H	93.1	Very high	83.5	Confident	75 Å²	75	42.3 Å²	42.3	35%	0.347	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.9	-172.6	66.4	-89.5	0	0	0	114.2	M479 V776 E780	M479-H481 PolarHBondContact O-N 3.09Å; H481-V776 PolarHBondContact CE1-O 3.01Å; H481-E780 PolarHBondContact CE1-N 2.7Å
482	L	96.4	Very high	84.3	Confident	16 Å²	16	40.7 Å²	40.7	8%	0.084	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.6	178	-55.9	178.9	0	0	0	114.1	F480 E484 V784 I787 F804 T805 V806	F480-L482 HydrophobicContact CD1-CB 3.93Å; F480-L482 HydrophobicContact CE1-CB 3.68Å; F480-L482 HydrophobicContact CE1-CD1 3.81Å; F480-L482 HydrophobicContact CE1-CG 3.95Å; F480-L482 HydrophobicContact CZ-CB 4.4Å; F480-L482 HydrophobicContact CZ-CD1 3.83Å; F480-L482 HydrophobicContact CZ-CG 4.17Å; F480-L482 PolarHBondContact O-N 2.94Å; L482-E484 PolarHBondContact O-N 2.83Å; L482-V784 HydrophobicContact CD1-CB 4.06Å; L482-V784 HydrophobicContact CD1-CG1 4.01Å; L482-I787 HydrophobicContact CB-CD1 4.29Å; L482-I787 HydrophobicContact CD1-CD1 4.26Å; L482-F804 CarbonylContact O-C 3.51Å; L482-F804 WeakPolarHBondContact O-CA 3.27Å; L482-F804 WeakPolarHBondContact O-CB 3.3Å; L482-T805 WeakPolarHBondContact CA-OG1 3.43Å; L482-T805 WeakPolarHBondContact CD2-OG1 3.48Å; L482-T805 PolarHBondContact O-N 2.69Å; L482-T805 PolarHBondContact O-OG1 2.9Å; L482-V806 HydrophobicContact CB-CG2 4.5Å; L482-V806 HydrophobicContact CD1-CG1 4.11Å; L482-V806 HydrophobicContact CD1-CG2 3.91Å; L482-V806 HydrophobicContact CD2-CG1 4.08Å
483	L	93.9	Very high	85.4	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-64.6	129.5	171.8	-76.5	173.6	0	0	0	110.8	M479 F480 S485 P486 Y489 F768 F804	M479-L483 HydrophobicContact CG-CD1 3.92Å; F480-L483 PolarHBondContact O-N 2.92Å; L483-S485 VanDerWaalsContact C-N 3.35Å; L483-S485 PolarHBondContact O-N 3.44Å; L483-P486 HydrophobicContact CB-CG 4.06Å; L483-P486 WeakPolarHBondContact O-CD 3.41Å; L483-Y489 HydrophobicContact CD1-CD1 4.42Å; L483-Y489 HydrophobicContact CD1-CD2 4.14Å; L483-Y489 HydrophobicContact CD1-CG 4Å; L483-Y489 HydrophobicContact CD2-CD2 3.35Å; L483-Y489 HydrophobicContact CD2-CE2 3.7Å; L483-Y489 HydrophobicContact CD2-CG 4.05Å; L483-Y489 HydrophobicContact CG-CD2 4.4Å; L483-F768 HydrophobicContact CD1-CB 3.99Å; L483-F768 HydrophobicContact CD2-CB 4Å; L483-F768 HydrophobicContact CD2-CG 4.5Å; L483-F768 HydrophobicContact CG-CB 4.21Å; L483-F804 HydrophobicContact CD2-CD1 4.01Å; L483-F804 HydrophobicContact CD2-CE1 3.56Å; L483-F804 HydrophobicContact CD2-CZ 4.18Å; L483-F804 HydrophobicContact CG-CE1 4.37Å
484	E	93.1	Very high	86.4	Confident	79 Å²	79	41.3 Å²	41.3	37%	0.369	23%	0.233	S	C	.	.	S	Bend	trans	-65.8	-39.1	-177.5	-175.3	179.1	-148.3	0	0	112.1	L482 K803 R841	L482-E484 PolarHBondContact O-N 2.83Å; E484-K803 HydrophobicContact CB-CB 3.78Å; E484-K803 PolarHBondContact N-O 2.94Å; E484-K803 WeakPolarHBondContact OE2-CB 3.12Å; E484-R841 VanDerWaalsContact CG-NH2 3.26Å; E484-R841 IonicContact OE1-CZ 3.28Å; E484-R841 IonicContact OE1-NH2 2.89Å; E484-R841 PolarHBondContact OE1-NH2 2.95Å
485	S	89	Confident	87.6	Confident	54 Å²	54	38.3 Å²	38.3	38%	0.378	21%	0.212	S	C	.	.			trans	-137.3	79.9	178.9	-156	0	0	0	0	110.2	L483 A487 N488 Y489	L483-S485 VanDerWaalsContact C-N 3.35Å; L483-S485 PolarHBondContact O-N 3.44Å; S485-A487 PolarHBondContact O-N 2.94Å; S485-A487 VanDerWaalsContact O-N 3.17Å; S485-N488 CarbonylContact O-C 3.48Å; S485-N488 PolarHBondContact O-N 2.94Å; S485-N488 PolarHBondContact OG-ND2 2.94Å; S485-Y489 PolarHBondContact O-N 3.41Å; S485-Y489 VanDerWaalsContact O-N 3.17Å
486	P	85	Confident	88.8	Confident	47 Å²	47	36.3 Å²	36.3	31%	0.305	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-53.8	-38.9	-179.5	-24.6	33.4	0	0	0	112	V179 M479 L483 N488 Y489	V179-P486 HydrophobicContact CG1-CB 4.26Å; V179-P486 WeakPolarHBondContact CG2-O 3.1Å; M479-P486 HydrophobicContact SD-CB 3.7Å; L483-P486 HydrophobicContact CB-CG 4.06Å; L483-P486 WeakPolarHBondContact O-CD 3.41Å; P486-N488 PolarHBondContact O-N 3Å; P486-N488 VanDerWaalsContact O-N 3.12Å; P486-Y489 PolarHBondContact O-N 3.44Å
487	A	79.7	Confident	89.4	Confident	50 Å²	50	35.3 Å²	35.3	41%	0.413	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-64.5	-9.6	177.8	0	0	0	0	0	115.7	N176 V179 S485	N176-A487 WeakPolarHBondContact CB-O 3.37Å; N176-A487 VanDerWaalsContact CG-O 3.31Å; N176-A487 PolarHBondContact ND2-O 2.74Å; V179-A487 HydrophobicContact CG1-CB 4.2Å; S485-A487 PolarHBondContact O-N 2.94Å; S485-A487 VanDerWaalsContact O-N 3.17Å
488	N	82.3	Confident	89.8	Confident	114 Å²	114	38.4 Å²	38.4	61%	0.61	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-130.9	9	-179.4	-61.5	-63.2	0	0	0	113.1	S485 P486 S490	S485-N488 CarbonylContact O-C 3.48Å; S485-N488 PolarHBondContact O-N 2.94Å; S485-N488 PolarHBondContact OG-ND2 2.94Å; P486-N488 PolarHBondContact O-N 3Å; P486-N488 VanDerWaalsContact O-N 3.12Å; N488-S490 PolarHBondContact O-N 3.1Å
489	Y	88.5	Confident	90.3	Very high	11 Å²	11	38.4 Å²	38.4	4%	0.043	21%	0.211	C	C	.	.			trans	-75.2	116.6	179.8	173.7	-88.2	0	0	0	110.9	L483 S485 P486 P491 F768 R769 N799 S802	L483-Y489 HydrophobicContact CD1-CD1 4.42Å; L483-Y489 HydrophobicContact CD1-CD2 4.14Å; L483-Y489 HydrophobicContact CD1-CG 4Å; L483-Y489 HydrophobicContact CD2-CD2 3.35Å; L483-Y489 HydrophobicContact CD2-CE2 3.7Å; L483-Y489 HydrophobicContact CD2-CG 4.05Å; L483-Y489 HydrophobicContact CG-CD2 4.4Å; S485-Y489 PolarHBondContact O-N 3.41Å; S485-Y489 VanDerWaalsContact O-N 3.17Å; P486-Y489 PolarHBondContact O-N 3.44Å; Y489-P491 HydrophobicContact CE1-CB 3.75Å; Y489-P491 HydrophobicContact CE1-CG 4.13Å; Y489-P491 WeakPolarHBondContact OH-CA 3.38Å; Y489-P491 WeakPolarHBondContact OH-CB 3.46Å; Y489-F768 HydrophobicContact CE1-CB 4.25Å; Y489-F768 HydrophobicContact CE2-CB 3.99Å; Y489-F768 HydrophobicContact CE2-CD2 4.35Å; Y489-F768 PolarHBondContact OH-N 2.96Å; Y489-R769 HydrophobicContact CD1-CG 3.47Å; Y489-R769 VanDerWaalsContact CD1-CG 3.47Å; Y489-R769 HydrophobicContact CE1-CG 3.66Å; Y489-N799 WeakPolarHBondContact CE2-OD1 3.37Å; Y489-N799 PolarHBondContact OH-OD1 2.91Å; Y489-S802 VanDerWaalsContact CE2-OG 3.23Å; Y489-S802 WeakPolarHBondContact CE2-OG 3.04Å
490	S	87.8	Confident	90.6	Very high	47 Å²	47	41.7 Å²	41.7	33%	0.329	23%	0.226	S	C	.	.			trans	-102.4	130.4	158.1	179.5	0	0	0	0	107.9	N488 D492 S802	N488-S490 PolarHBondContact O-N 3.1Å; S490-D492 PolarHBondContact OG-O 3.03Å; S490-S802 PolarHBondContact O-OG 3.3Å
491	P	91	Very high	90.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	25%	0.249	C	C	.	.	S	Bend	trans	-68.1	-44	171.9	24.8	-28	0	0	0	110.7	Y489 D767 C798 N799	Y489-P491 HydrophobicContact CE1-CB 3.75Å; Y489-P491 HydrophobicContact CE1-CG 4.13Å; Y489-P491 WeakPolarHBondContact OH-CA 3.38Å; Y489-P491 WeakPolarHBondContact OH-CB 3.46Å; P491-D767 HydrophobicContact CB-CB 4.25Å; P491-D767 HydrophobicContact CG-CB 4.47Å; P491-C798 CarbonylContact O-C 3.59Å; P491-C798 WeakPolarHBondContact O-CA 3.39Å; P491-N799 PolarHBondContact O-N 3.45Å
492	D	93	Very high	90.8	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.128	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-74.4	136	-171.1	-51.2	-88.2	0	0	0	113.2	S490 T561 R563	S490-D492 PolarHBondContact OG-O 3.03Å; D492-T561 HydrophobicContact CB-CG2 3.89Å; D492-T561 WeakPolarHBondContact OD1-CB 3.47Å; D492-T561 WeakPolarHBondContact OD1-CG2 3.42Å; D492-T561 PolarHBondContact OD1-OG1 2.94Å; D492-R563 VanDerWaalsContact CG-NE 3.34Å; D492-R563 VanDerWaalsContact OD1-CB 3.29Å; D492-R563 WeakPolarHBondContact OD1-CB 3.33Å; D492-R563 IonicContact OD1-CZ 3.64Å; D492-R563 IonicContact OD1-NE 3.94Å; D492-R563 PolarHBondContact OD1-NE 3.29Å; D492-R563 IonicContact OD1-NH2 2.74Å; D492-R563 IonicContact OD2-CZ 3.74Å; D492-R563 VanDerWaalsContact OD2-CZ 3.32Å; D492-R563 IonicContact OD2-NE 3.87Å; D492-R563 PolarHBondContact OD2-NE 3.33Å; D492-R563 VanDerWaalsContact OD2-NE 3.11Å; D492-R563 IonicContact OD2-NH2 3.19Å; D492-R563 PolarHBondContact OD2-NH2 3.04Å
493	T	92.7	Very high	90.7	Very high	26 Å²	26	42.9 Å²	42.9	16%	0.16	23%	0.231	C	C	.	.	S	Bend	trans	-83.7	-25.6	176.4	-56.2	0	0	0	0	112.9	I796 H797 L800	T493-I796 VanDerWaalsContact CB-O 3.24Å; T493-I796 WeakPolarHBondContact CB-O 3.44Å; T493-I796 PolarHBondContact OG1-O 3.33Å; T493-H797 PolarHBondContact N-O 3.12Å; T493-H797 PolarHBondContact OG1-O 3.39Å; T493-L800 HydrophobicContact CG2-CB 3.94Å; T493-L800 HydrophobicContact CG2-CD2 3.83Å; T493-L800 HydrophobicContact CG2-CG 4.49Å; T493-L800 WeakPolarHBondContact OG1-CB 3.18Å
494	W	90.7	Very high	90.8	Very high	43 Å²	43	47.9 Å²	47.9	16%	0.163	26%	0.256	C	S	.	.			trans	-133.3	133.4	176.6	-65.3	-85.6	0	0	0	112	L496 I796 L800 L819 L823	W494-L496 HydrophobicContact CB-CD2 4.32Å; W494-I796 HydrophobicContact CH2-CG2 4.03Å; W494-I796 HydrophobicContact CZ3-CG2 4.15Å; W494-I796 WeakPolarHBondContact CZ3-O 3.28Å; W494-L800 HydrophobicContact CH2-CD2 4.42Å; W494-L819 HydrophobicContact CE3-CD1 4.37Å; W494-L819 HydrophobicContact CH2-CD1 3.37Å; W494-L819 HydrophobicContact CZ2-CD1 3.79Å; W494-L819 HydrophobicContact CZ3-CD1 3.67Å; W494-L823 HydrophobicContact CH2-CD1 4.21Å; W494-L823 HydrophobicContact CH2-CD2 4.02Å; W494-L823 HydrophobicContact CH2-CG 4.28Å; W494-L823 HydrophobicContact CZ2-CD2 3.82Å; W494-L823 HydrophobicContact CZ2-CG 4.17Å
495	D	91.5	Very high	91	Very high	59 Å²	59	47.1 Å²	47.1	32%	0.316	25%	0.251	S	S	.	.			trans	-95.8	102.4	171.1	177.8	12.1	0	0	0	110.1	T497 H498 D499 V559	D495-T497 PolarHBondContact O-N 3.11Å; D495-T497 WeakPolarHBondContact OD1-CA 3.44Å; D495-T497 WeakPolarHBondContact OD1-CB 3.41Å; D495-T497 PolarHBondContact OD1-N 3.17Å; D495-T497 PolarHBondContact OD1-OG1 3.47Å; D495-H498 PolarHBondContact O-N 3.47Å; D495-H498 IonicContact OD2-CE1 3.64Å; D495-H498 IonicContact OD2-CG 2.73Å; D495-H498 IonicContact OD2-ND1 2.79Å; D495-H498 PolarHBondContact OD2-ND1 3Å; D495-D499 WeakPolarHBondContact O-CB 3.25Å; D495-D499 PolarHBondContact O-N 3.25Å; D495-V559 HydrophobicContact CB-CG1 4.46Å; D495-V559 VanDerWaalsContact OD1-CG1 3.23Å; D495-V559 WeakPolarHBondContact OD1-CG1 3.4Å
496	L	94.7	Very high	91.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.5	178.2	-43.9	176.6	0	0	0	111.9	W494 H498 A502 R503 W506 L560 V562 L565	W494-L496 HydrophobicContact CB-CD2 4.32Å; L496-H498 VanDerWaalsContact C-N 3.26Å; L496-A502 HydrophobicContact CD2-CB 3.4Å; L496-R503 HydrophobicContact CB-CB 4.19Å; L496-R503 WeakPolarHBondContact O-CB 3.11Å; L496-R503 WeakPolarHBondContact O-CD 3.38Å; L496-R503 PolarHBondContact O-NH1 3.08Å; L496-W506 HydrophobicContact CD1-CB 3.92Å; L496-W506 HydrophobicContact CD1-CG 4.12Å; L496-L560 WeakPolarHBondContact CA-O 3.23Å; L496-L560 HydrophobicContact CB-CB 4.43Å; L496-L560 HydrophobicContact CB-CD2 4.36Å; L496-L560 HydrophobicContact CB-CG 4.02Å; L496-L560 WeakPolarHBondContact CB-O 3.38Å; L496-L560 PolarHBondContact N-O 2.99Å; L496-V562 HydrophobicContact CD1-CG2 4.14Å; L496-L565 HydrophobicContact CD1-CD1 4.12Å
497	T	92	Very high	91.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-43.9	169.4	-38	0	0	0	0	108.8	P169 D495 R503 V559 L560	P169-T497 WeakPolarHBondContact CD-O 3.41Å; P169-T497 HydrophobicContact CG-CG2 3.43Å; P169-T497 VanDerWaalsContact CG-CG2 3.43Å; D495-T497 PolarHBondContact O-N 3.11Å; D495-T497 WeakPolarHBondContact OD1-CA 3.44Å; D495-T497 WeakPolarHBondContact OD1-CB 3.41Å; D495-T497 PolarHBondContact OD1-N 3.17Å; D495-T497 PolarHBondContact OD1-OG1 3.47Å; T497-R503 PolarHBondContact O-NH1 2.96Å; T497-V559 WeakPolarHBondContact OG1-CG1 3.35Å; T497-L560 PolarHBondContact N-O 3.28Å; T497-L560 PolarHBondContact OG1-N 2.97Å
498	H	89.4	Confident	92.7	Very high	70 Å²	70	42.9 Å²	42.9	32%	0.324	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-27.4	-176.2	-59.3	99.2	0	0	0	114.7	T168 D495 L496 E500	T168-H498 PolarHBondContact O-CD2 3.35Å; D495-H498 PolarHBondContact O-N 3.47Å; D495-H498 IonicContact OD2-CE1 3.64Å; D495-H498 IonicContact OD2-CG 2.73Å; D495-H498 IonicContact OD2-ND1 2.79Å; D495-H498 PolarHBondContact OD2-ND1 3Å; L496-H498 VanDerWaalsContact C-N 3.26Å; H498-E500 PolarHBondContact O-N 3.24Å
499	D	93.2	Very high	93.3	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.203	20%	0.201	C	C	.	.			trans	-82	91.5	173.1	-169.7	-22.2	0	0	0	110.8	D495 E501 A502 R503 R822	D495-D499 WeakPolarHBondContact O-CB 3.25Å; D495-D499 PolarHBondContact O-N 3.25Å; D499-E501 PolarHBondContact O-N 2.96Å; D499-E501 PolarHBondContact OD1-N 2.9Å; D499-A502 HydrophobicContact CB-CB 3.89Å; D499-A502 PolarHBondContact O-N 3.3Å; D499-A502 WeakPolarHBondContact OD1-CB 3.29Å; D499-A502 PolarHBondContact OD1-N 2.73Å; D499-R503 WeakPolarHBondContact O-CB 3.21Å; D499-R503 PolarHBondContact O-N 2.82Å; D499-R822 VanDerWaalsContact CG-NH2 3.29Å; D499-R822 IonicContact OD1-NH2 3.03Å; D499-R822 PolarHBondContact OD1-NH2 2.87Å; D499-R822 IonicContact OD2-CZ 2.75Å; D499-R822 IonicContact OD2-NE 2.73Å; D499-R822 IonicContact OD2-NH2 3.07Å; D499-R822 PolarHBondContact OD2-NH2 3.28Å
500	E	92.9	Very high	93.7	Very high	113 Å²	113	38.8 Å²	38.8	53%	0.528	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-37.4	-178.4	177.5	157.2	-112.5	0	0	113.9	H498 R503 I504	H498-E500 PolarHBondContact O-N 3.24Å; E500-R503 PolarHBondContact O-N 3.1Å; E500-R503 IonicContact OE1-NH2 3.18Å; E500-R503 PolarHBondContact OE1-NH2 3.37Å; E500-R503 VanDerWaalsContact OE1-NH2 3.12Å; E500-I504 HydrophobicContact CG-CD1 3.76Å; E500-I504 HydrophobicContact CG-CG1 4.38Å; E500-I504 VanDerWaalsContact O-CG1 3.32Å; E500-I504 WeakPolarHBondContact O-CG1 3.33Å; E500-I504 PolarHBondContact O-N 2.74Å
501	E	94.6	Very high	94	Very high	102 Å²	102	39.3 Å²	39.3	48%	0.477	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-47.9	178	-171.8	-159.8	145.2	0	0	110.1	D499 Y505 W818 R822	D499-E501 PolarHBondContact O-N 2.96Å; D499-E501 PolarHBondContact OD1-N 2.9Å; E501-Y505 WeakPolarHBondContact O-CB 3.46Å; E501-Y505 PolarHBondContact O-N 3.3Å; E501-Y505 VanDerWaalsContact O-N 3.09Å; E501-W818 HydrophobicContact CG-CZ2 4.35Å; E501-W818 PolarHBondContact OE1-NE1 3.43Å; E501-R822 IonicContact OE1-NH1 3.67Å; E501-R822 PolarHBondContact OE1-NH1 3.37Å; E501-R822 IonicContact OE2-CZ 3.87Å; E501-R822 IonicContact OE2-NH1 3.91Å; E501-R822 PolarHBondContact OE2-NH1 3.23Å; E501-R822 IonicContact OE2-NH2 3.95Å
502	A	95.2	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-41.1	176.2	0	0	0	0	0	111.4	L496 D499 Y505 W506 W818	L496-A502 HydrophobicContact CD2-CB 3.4Å; D499-A502 HydrophobicContact CB-CB 3.89Å; D499-A502 PolarHBondContact O-N 3.3Å; D499-A502 WeakPolarHBondContact OD1-CB 3.29Å; D499-A502 PolarHBondContact OD1-N 2.73Å; A502-Y505 PolarHBondContact O-N 3.26Å; A502-W506 WeakPolarHBondContact O-CB 3.42Å; A502-W506 PolarHBondContact O-N 3.37Å; A502-W818 HydrophobicContact CB-CH2 3.48Å; A502-W818 VanDerWaalsContact CB-CH2 3.48Å; A502-W818 HydrophobicContact CB-CZ2 4.05Å; A502-W818 HydrophobicContact CB-CZ3 4.19Å
503	R	95.5	Very high	94.3	Very high	15 Å²	15	42.8 Å²	42.8	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-52.2	177.4	178.5	172.5	57.3	-111.4	9.4	112.2	L496 T497 D499 E500 Y505 W506 L507 L560	L496-R503 HydrophobicContact CB-CB 4.19Å; L496-R503 WeakPolarHBondContact O-CB 3.11Å; L496-R503 WeakPolarHBondContact O-CD 3.38Å; L496-R503 PolarHBondContact O-NH1 3.08Å; T497-R503 PolarHBondContact O-NH1 2.96Å; D499-R503 WeakPolarHBondContact O-CB 3.21Å; D499-R503 PolarHBondContact O-N 2.82Å; E500-R503 PolarHBondContact O-N 3.1Å; E500-R503 IonicContact OE1-NH2 3.18Å; E500-R503 PolarHBondContact OE1-NH2 3.37Å; E500-R503 VanDerWaalsContact OE1-NH2 3.12Å; R503-Y505 VanDerWaalsContact C-N 3.3Å; R503-Y505 PolarHBondContact O-N 2.71Å; R503-W506 PolarHBondContact O-N 2.89Å; R503-L507 HydrophobicContact CG-CD1 3.69Å; R503-L507 HydrophobicContact CG-CG 4.32Å; R503-L507 WeakPolarHBondContact O-CB 3.47Å; R503-L507 WeakPolarHBondContact O-CG 3.46Å; R503-L507 PolarHBondContact O-N 3.2Å; R503-L560 HydrophobicContact CG-CD2 3.92Å
504	I	96.1	Very high	94.4	Very high	111 Å²	111	42 Å²	42	57%	0.569	22%	0.22	S	C	*	.	H	α-helix	trans	-61.1	-43.4	-179.7	-68.6	167.6	0	0	0	110	E500 G508	E500-I504 HydrophobicContact CG-CD1 3.76Å; E500-I504 HydrophobicContact CG-CG1 4.38Å; E500-I504 VanDerWaalsContact O-CG1 3.32Å; E500-I504 WeakPolarHBondContact O-CG1 3.33Å; E500-I504 PolarHBondContact O-N 2.74Å; I504-G508 PolarHBondContact O-N 2.89Å
505	Y	96.3	Very high	94.7	Very high	64 Å²	64	45 Å²	45	25%	0.251	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-53.1	177.2	179.1	-99.2	0	0	0	112.5	E501 A502 R503 G508 C509 N816 W818	E501-Y505 WeakPolarHBondContact O-CB 3.46Å; E501-Y505 PolarHBondContact O-N 3.3Å; E501-Y505 VanDerWaalsContact O-N 3.09Å; A502-Y505 PolarHBondContact O-N 3.26Å; R503-Y505 VanDerWaalsContact C-N 3.3Å; R503-Y505 PolarHBondContact O-N 2.71Å; Y505-G508 PolarHBondContact O-N 3.08Å; Y505-C509 WeakPolarHBondContact O-CB 3.38Å; Y505-C509 PolarHBondContact O-N 2.57Å; Y505-N816 PolarHBondContact OH-ND2 2.86Å; Y505-N816 PolarHBondContact OH-OD1 3.22Å; Y505-W818 HydrophobicContact CD1-CB 3.86Å; Y505-W818 AromaticContact CD1-CD2 3.82Å; Y505-W818 HydrophobicContact CD1-CD2 3.82Å; Y505-W818 AromaticContact CD1-CE3 3.83Å; Y505-W818 HydrophobicContact CD1-CE3 3.83Å; Y505-W818 AromaticContact CD1-CG 3.85Å; Y505-W818 HydrophobicContact CD1-CG 3.85Å; Y505-W818 HydrophobicContact CD2-CB 3.87Å; Y505-W818 AromaticContact CD2-CG 3.93Å; Y505-W818 HydrophobicContact CD2-CG 3.93Å; Y505-W818 HydrophobicContact CE1-CB 3.55Å; Y505-W818 HydrophobicContact CE1-CD2 4.32Å; Y505-W818 HydrophobicContact CE1-CE3 4.25Å; Y505-W818 HydrophobicContact CE1-CG 4.07Å; Y505-W818 HydrophobicContact CE2-CB 3.56Å; Y505-W818 HydrophobicContact CE2-CG 4.15Å; Y505-W818 HydrophobicContact CG-CB 4.02Å; Y505-W818 AromaticContact CG-CD2 3.99Å; Y505-W818 HydrophobicContact CG-CD2 3.99Å; Y505-W818 HydrophobicContact CG-CE3 4.43Å; Y505-W818 AromaticContact CG-CG 3.78Å; Y505-W818 HydrophobicContact CG-CG 3.78Å
506	W	96.5	Very high	94.9	Very high	13 Å²	13	44.2 Å²	44.2	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-45.1	-175.8	-76.3	111.9	0	0	0	112.3	L496 A502 R503 G508 C509 F510 V562 L565 H797 N816 W818 L819	L496-W506 HydrophobicContact CD1-CB 3.92Å; L496-W506 HydrophobicContact CD1-CG 4.12Å; A502-W506 WeakPolarHBondContact O-CB 3.42Å; A502-W506 PolarHBondContact O-N 3.37Å; R503-W506 PolarHBondContact O-N 2.89Å; W506-G508 VanDerWaalsContact C-N 3.29Å; W506-G508 PolarHBondContact O-N 3.33Å; W506-C509 HydrophobicContact CE3-CB 4.39Å; W506-C509 WeakPolarHBondContact O-CA 3.49Å; W506-C509 WeakPolarHBondContact O-CB 3.26Å; W506-C509 PolarHBondContact O-N 3.5Å; W506-C509 VanDerWaalsContact O-N 3.08Å; W506-F510 HydrophobicContact CE3-CE2 4.06Å; W506-F510 VanDerWaalsContact O-CD2 3.29Å; W506-F510 WeakPolarHBondContact O-CD2 3.37Å; W506-F510 PolarHBondContact O-N 3.17Å; W506-V562 HydrophobicContact CD2-CG2 3.76Å; W506-V562 HydrophobicContact CE3-CG1 4.44Å; W506-V562 HydrophobicContact CE3-CG2 4.29Å; W506-V562 HydrophobicContact CG-CG2 3.96Å; W506-V562 HydrophobicContact CZ2-CG2 4.3Å; W506-L565 HydrophobicContact CB-CD1 4.24Å; W506-H797 AromaticContact CH2-CE1 3.42Å; W506-H797 VanDerWaalsContact CH2-CE1 3.42Å; W506-H797 WeakPolarHBondContact CH2-CE1 3.36Å; W506-H797 AromaticContact CH2-NE2 3.96Å; W506-H797 AromaticContact CZ2-CE1 3.57Å; W506-N816 HydrophobicContact CH2-CB 4.19Å; W506-W818 AromaticContact NE1-CZ3 3.83Å; W506-L819 HydrophobicContact CZ2-CB 4.27Å; W506-L819 HydrophobicContact CZ2-CD2 4.42Å
507	L	96.7	Very high	94.9	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-40.8	177.1	-70.2	175.6	0	0	0	111.9	R503 F510 E511 L547 L550 L560 L565	R503-L507 HydrophobicContact CG-CD1 3.69Å; R503-L507 HydrophobicContact CG-CG 4.32Å; R503-L507 WeakPolarHBondContact O-CB 3.47Å; R503-L507 WeakPolarHBondContact O-CG 3.46Å; R503-L507 PolarHBondContact O-N 3.2Å; L507-F510 PolarHBondContact O-N 3.28Å; L507-E511 PolarHBondContact O-N 2.78Å; L507-L547 HydrophobicContact CD2-CD2 4.1Å; L507-L550 HydrophobicContact CD2-CB 4.28Å; L507-L560 HydrophobicContact CD1-CD2 4.48Å; L507-L565 HydrophobicContact CD2-CD1 4.14Å; L507-L565 HydrophobicContact CD2-CD2 3.78Å
508	G	96.4	Very high	95.2	Very high	39 Å²	39	45.3 Å²	45.3	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-39.4	173.3	0	0	0	0	0	113.2	I504 Y505 W506 E511 S512	I504-G508 PolarHBondContact O-N 2.89Å; Y505-G508 PolarHBondContact O-N 3.08Å; W506-G508 VanDerWaalsContact C-N 3.29Å; W506-G508 PolarHBondContact O-N 3.33Å; G508-E511 PolarHBondContact O-N 3.26Å; G508-S512 WeakPolarHBondContact O-CB 3.42Å; G508-S512 PolarHBondContact O-N 3.29Å
509	C	94.9	Very high	95.5	Very high	23 Å²	23	43.9 Å²	43.9	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-48.1	175	-159.6	0	0	0	0	111	Y505 W506 S512 C513	Y505-C509 WeakPolarHBondContact O-CB 3.38Å; Y505-C509 PolarHBondContact O-N 2.57Å; W506-C509 HydrophobicContact CE3-CB 4.39Å; W506-C509 WeakPolarHBondContact O-CA 3.49Å; W506-C509 WeakPolarHBondContact O-CB 3.26Å; W506-C509 PolarHBondContact O-N 3.5Å; W506-C509 VanDerWaalsContact O-N 3.08Å; C509-S512 PolarHBondContact O-N 3.49Å; C509-S512 PolarHBondContact O-OG 3.21Å; C509-C513 PolarHBondContact O-N 2.83Å; C509-C513 VanDerWaalsContact O-N 3.14Å; C509-C513 PolarHBondContact O-SG 3.13Å; C509-C513 VanDerWaalsContact O-SG 3.41Å
510	F	95.9	Very high	95.6	Very high	16 Å²	16	42.6 Å²	42.6	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-41.1	176	-81.1	-83.1	0	0	0	112.5	W506 L507 S512 C513 I514 Y543 L547 V562 L565 L566	W506-F510 HydrophobicContact CE3-CE2 4.06Å; W506-F510 VanDerWaalsContact O-CD2 3.29Å; W506-F510 WeakPolarHBondContact O-CD2 3.37Å; W506-F510 PolarHBondContact O-N 3.17Å; L507-F510 PolarHBondContact O-N 3.28Å; F510-S512 VanDerWaalsContact C-N 3.27Å; F510-S512 PolarHBondContact O-N 2.83Å; F510-C513 PolarHBondContact O-N 3.28Å; F510-I514 VanDerWaalsContact O-CG1 3.3Å; F510-I514 WeakPolarHBondContact O-CG1 3.31Å; F510-I514 PolarHBondContact O-N 2.98Å; F510-Y543 WeakPolarHBondContact CD1-OH 3.38Å; F510-L547 HydrophobicContact CB-CD1 3.73Å; F510-L547 HydrophobicContact CB-CD2 4.21Å; F510-V562 HydrophobicContact CE2-CG1 4.32Å; F510-V562 HydrophobicContact CZ-CG1 4.36Å; F510-L565 HydrophobicContact CD1-CB 4.32Å; F510-L565 HydrophobicContact CD2-CB 3.82Å; F510-L565 HydrophobicContact CD2-CD1 3.65Å; F510-L565 HydrophobicContact CD2-CG 4.28Å; F510-L565 HydrophobicContact CE1-CB 4.09Å; F510-L565 HydrophobicContact CE2-CB 3.57Å; F510-L565 HydrophobicContact CE2-CD1 3.82Å; F510-L565 HydrophobicContact CE2-CG 4.33Å; F510-L565 HydrophobicContact CG-CB 4.22Å; F510-L565 HydrophobicContact CZ-CB 3.73Å; F510-L566 HydrophobicContact CE1-CD2 3.9Å; F510-L566 HydrophobicContact CE1-CG 4.24Å; F510-L566 HydrophobicContact CZ-CD2 3.87Å; F510-L566 HydrophobicContact CZ-CG 3.88Å
511	E	96	Very high	95.8	Very high	58 Å²	58	37.2 Å²	37.2	27%	0.271	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-32.5	176	-172.4	170	-175	0	0	112	L507 G508 I514 K544 L547 R548	L507-E511 PolarHBondContact O-N 2.78Å; G508-E511 PolarHBondContact O-N 3.26Å; E511-I514 HydrophobicContact CG-CD1 4.43Å; E511-K544 HydrophobicContact CG-CG 4.29Å; E511-K544 VanDerWaalsContact OE1-CE 3.29Å; E511-K544 WeakPolarHBondContact OE1-CE 3.46Å; E511-K544 IonicContact OE1-NZ 3.32Å; E511-K544 PolarHBondContact OE1-NZ 3.43Å; E511-L547 HydrophobicContact CB-CD1 4.06Å; E511-R548 IonicContact OE1-CZ 3.81Å; E511-R548 IonicContact OE1-NE 3.15Å; E511-R548 PolarHBondContact OE1-NE 3.3Å; E511-R548 IonicContact OE1-NH2 2.68Å; E511-R548 PolarHBondContact OE1-NH2 2.97Å; E511-R548 IonicContact OE2-NE 3.56Å
512	S	94.4	Very high	95.8	Very high	84 Å²	84	34.9 Å²	34.9	59%	0.587	19%	0.19	S	C	*	.	H	α-helix	trans	-71.4	-31.4	174.8	78.4	0	0	0	0	113.7	G508 C509 F510	G508-S512 WeakPolarHBondContact O-CB 3.42Å; G508-S512 PolarHBondContact O-N 3.29Å; C509-S512 PolarHBondContact O-N 3.49Å; C509-S512 PolarHBondContact O-OG 3.21Å; F510-S512 VanDerWaalsContact C-N 3.27Å; F510-S512 PolarHBondContact O-N 2.83Å
513	C	93.9	Very high	95.8	Very high	15 Å²	15	38.9 Å²	38.9	10%	0.101	21%	0.208	C	C	.	.	H	α-helix	trans	-83.2	-6.8	-177.9	-70.7	0	0	0	0	114.3	C509 F510 E515 Y516 H517	C509-C513 PolarHBondContact O-N 2.83Å; C509-C513 VanDerWaalsContact O-N 3.14Å; C509-C513 PolarHBondContact O-SG 3.13Å; C509-C513 VanDerWaalsContact O-SG 3.41Å; F510-C513 PolarHBondContact O-N 3.28Å; C513-E515 PolarHBondContact O-N 3.02Å; C513-Y516 PolarHBondContact O-N 3.27Å; C513-H517 PolarHBondContact O-N 3.21Å; C513-H517 PolarHBondContact O-ND1 3.29Å
514	I	96.1	Very high	95.7	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-47.7	-176.1	-59.2	-173.3	0	0	0	111.8	F510 E511 Y516 H517 R518 A540 Y543 K544 L547	F510-I514 VanDerWaalsContact O-CG1 3.3Å; F510-I514 WeakPolarHBondContact O-CG1 3.31Å; F510-I514 PolarHBondContact O-N 2.98Å; E511-I514 HydrophobicContact CG-CD1 4.43Å; I514-Y516 VanDerWaalsContact C-N 3.28Å; I514-Y516 PolarHBondContact O-N 3.4Å; I514-H517 PolarHBondContact O-N 2.65Å; I514-H517 VanDerWaalsContact O-N 3.12Å; I514-R518 WeakPolarHBondContact O-CB 3.36Å; I514-R518 PolarHBondContact O-N 3.45Å; I514-A540 HydrophobicContact CG2-CB 3.59Å; I514-Y543 HydrophobicContact CD1-CD1 3.85Å; I514-Y543 HydrophobicContact CD1-CE1 4.4Å; I514-Y543 HydrophobicContact CG1-CD1 3.88Å; I514-Y543 HydrophobicContact CG1-CE1 4.19Å; I514-K544 HydrophobicContact CD1-CB 3.58Å; I514-K544 HydrophobicContact CD1-CG 4.18Å; I514-L547 HydrophobicContact CD1-CD1 4.03Å
515	E	96.2	Very high	95.5	Very high	106 Å²	106	33.9 Å²	33.9	50%	0.495	19%	0.186	S	C	.	.	H	α-helix	trans	-65.2	-32.5	-175.6	-177.3	55.1	-154.1	0	0	112.5	C513 R518 A519	C513-E515 PolarHBondContact O-N 3.02Å; E515-R518 VanDerWaalsContact CD-NE 3.27Å; E515-R518 WeakPolarHBondContact O-CB 3.48Å; E515-R518 PolarHBondContact O-N 3.44Å; E515-R518 IonicContact OE1-CZ 3Å; E515-R518 VanDerWaalsContact OE1-CZ 3.27Å; E515-R518 IonicContact OE1-NE 2.69Å; E515-R518 PolarHBondContact OE1-NE 3.41Å; E515-R518 IonicContact OE1-NH2 2.79Å; E515-R518 PolarHBondContact OE1-NH2 3.19Å; E515-R518 WeakPolarHBondContact OE2-CD 3.26Å; E515-R518 IonicContact OE2-NE 3.89Å; E515-R518 PolarHBondContact OE2-NE 2.81Å; E515-A519 WeakPolarHBondContact O-CB 3.4Å; E515-A519 PolarHBondContact O-N 3.15Å
516	Y	95.3	Very high	94.9	Very high	43 Å²	43	33.9 Å²	33.9	17%	0.169	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-43.2	173.4	176.1	-107.5	0	0	0	111.9	C513 I514 A519 K520 F582 W628 I634	C513-Y516 PolarHBondContact O-N 3.27Å; I514-Y516 VanDerWaalsContact C-N 3.28Å; I514-Y516 PolarHBondContact O-N 3.4Å; Y516-A519 PolarHBondContact O-N 3.22Å; Y516-K520 HydrophobicContact CE1-CG 4.42Å; Y516-K520 HydrophobicContact CE2-CG 4.27Å; Y516-K520 PolarHBondContact O-N 3.04Å; Y516-F582 HydrophobicContact CE1-CE1 4.02Å; Y516-F582 AromaticContact CE1-CZ 3.91Å; Y516-F582 HydrophobicContact CE1-CZ 3.91Å; Y516-W628 WeakPolarHBondContact CE1-O 3.46Å; Y516-W628 VanDerWaalsContact OH-CE3 3.24Å; Y516-I634 HydrophobicContact CD1-CD1 3.76Å; Y516-I634 HydrophobicContact CE1-CD1 3.65Å; Y516-I634 HydrophobicContact CE1-CG1 4.32Å; Y516-I634 HydrophobicContact CE2-CG2 4.23Å; Y516-I634 HydrophobicContact CG-CD1 4.4Å
517	H	95.8	Very high	94.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-71.3	-32.2	177	-68.7	77.1	0	0	0	112	C513 I514 K520 A521 F539 Q569	C513-H517 PolarHBondContact O-N 3.21Å; C513-H517 PolarHBondContact O-ND1 3.29Å; I514-H517 PolarHBondContact O-N 2.65Å; I514-H517 VanDerWaalsContact O-N 3.12Å; H517-K520 PolarHBondContact O-N 2.67Å; H517-A521 WeakPolarHBondContact O-CB 3.48Å; H517-A521 PolarHBondContact O-N 2.83Å; H517-F539 HydrophobicContact CB-CE1 4.17Å; H517-F539 HydrophobicContact CB-CZ 4.26Å; H517-Q569 PolarHBondContact CD2-NE2 3.43Å; H517-Q569 VanDerWaalsContact CD2-NE2 3.27Å; H517-Q569 PolarHBondContact CE1-NE2 2.79Å; H517-Q569 VanDerWaalsContact CG-NE2 3.34Å; H517-Q569 PolarHBondContact ND1-NE2 3.44Å; H517-Q569 PolarHBondContact NE2-NE2 3.45Å; H517-Q569 VanDerWaalsContact NE2-NE2 3.15Å
518	R	97.4	Very high	93.7	Very high	21 Å²	21	45 Å²	45	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-50.5	171.3	-166.4	-155.9	65.2	66.5	3.3	111.1	I514 E515 K520 A521 E522 S536 H537 A540	I514-R518 WeakPolarHBondContact O-CB 3.36Å; I514-R518 PolarHBondContact O-N 3.45Å; E515-R518 VanDerWaalsContact CD-NE 3.27Å; E515-R518 WeakPolarHBondContact O-CB 3.48Å; E515-R518 PolarHBondContact O-N 3.44Å; E515-R518 IonicContact OE1-CZ 3Å; E515-R518 VanDerWaalsContact OE1-CZ 3.27Å; E515-R518 IonicContact OE1-NE 2.69Å; E515-R518 PolarHBondContact OE1-NE 3.41Å; E515-R518 IonicContact OE1-NH2 2.79Å; E515-R518 PolarHBondContact OE1-NH2 3.19Å; E515-R518 WeakPolarHBondContact OE2-CD 3.26Å; E515-R518 IonicContact OE2-NE 3.89Å; E515-R518 PolarHBondContact OE2-NE 2.81Å; R518-K520 PolarHBondContact O-N 3.33Å; R518-A521 WeakPolarHBondContact O-CB 3.09Å; R518-A521 PolarHBondContact O-N 3.17Å; R518-E522 IonicContact CZ-OE2 3.29Å; R518-E522 IonicContact NH1-OE2 3.64Å; R518-E522 PolarHBondContact NH1-OE2 3.4Å; R518-E522 IonicContact NH2-OE2 2.7Å; R518-E522 PolarHBondContact NH2-OE2 3.31Å; R518-E522 PolarHBondContact O-N 3.11Å; R518-S536 WeakPolarHBondContact CG-O 3.47Å; R518-S536 PolarHBondContact NH1-OG 2.61Å; R518-S536 VanDerWaalsContact NH1-OG 3.1Å; R518-H537 PolarHBondContact NH1-CE1 2.95Å; R518-A540 HydrophobicContact CB-CB 4.17Å; R518-A540 HydrophobicContact CG-CB 3.9Å
519	A	96.7	Very high	93.2	Very high	40 Å²	40	45.1 Å²	45.1	33%	0.331	25%	0.25	S	S	.	.	H	α-helix	trans	-62.5	-40.4	177.9	0	0	0	0	0	112.1	E515 Y516 E522 E523	E515-A519 WeakPolarHBondContact O-CB 3.4Å; E515-A519 PolarHBondContact O-N 3.15Å; Y516-A519 PolarHBondContact O-N 3.22Å; A519-E522 PolarHBondContact O-N 3.3Å; A519-E523 VanDerWaalsContact O-CB 3.31Å; A519-E523 WeakPolarHBondContact O-CB 3.41Å; A519-E523 PolarHBondContact O-N 2.94Å
520	K	95.7	Very high	92.9	Very high	12 Å²	12	50 Å²	50	5%	0.052	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-36.8	174.3	-84.5	-72	174	-162.8	0	113.3	Y516 H517 R518 E523 S524 V581 F582	Y516-K520 HydrophobicContact CE1-CG 4.42Å; Y516-K520 HydrophobicContact CE2-CG 4.27Å; Y516-K520 PolarHBondContact O-N 3.04Å; H517-K520 PolarHBondContact O-N 2.67Å; R518-K520 PolarHBondContact O-N 3.33Å; K520-E523 WeakPolarHBondContact CD-OE2 3.36Å; K520-E523 VanDerWaalsContact CE-OE2 3.27Å; K520-E523 WeakPolarHBondContact CE-OE2 3.39Å; K520-E523 IonicContact NZ-OE1 2.99Å; K520-E523 PolarHBondContact NZ-OE1 2.87Å; K520-E523 IonicContact NZ-OE2 2.77Å; K520-E523 PolarHBondContact NZ-OE2 2.81Å; K520-E523 PolarHBondContact O-N 2.92Å; K520-S524 WeakPolarHBondContact O-CB 3.31Å; K520-S524 PolarHBondContact O-N 2.9Å; K520-V581 HydrophobicContact CB-CB 4.25Å; K520-V581 HydrophobicContact CB-CG2 4.24Å; K520-F582 HydrophobicContact CD-CD1 4.3Å; K520-F582 HydrophobicContact CD-CE1 4.25Å; K520-F582 HydrophobicContact CG-CE1 4.08Å; K520-F582 HydrophobicContact CG-CZ 4.32Å
521	A	95.5	Very high	92.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-46.3	173.5	0	0	0	0	0	111.6	H517 R518 S524 L573 F578 V581	H517-A521 WeakPolarHBondContact O-CB 3.48Å; H517-A521 PolarHBondContact O-N 2.83Å; R518-A521 WeakPolarHBondContact O-CB 3.09Å; R518-A521 PolarHBondContact O-N 3.17Å; A521-S524 PolarHBondContact O-N 2.77Å; A521-S524 PolarHBondContact O-OG 3.44Å; A521-L573 HydrophobicContact CB-CD2 4.1Å; A521-F578 HydrophobicContact CB-CD1 3.76Å; A521-F578 HydrophobicContact CB-CD2 4Å; A521-F578 HydrophobicContact CB-CE1 3.77Å; A521-F578 HydrophobicContact CB-CE2 4.01Å; A521-F578 HydrophobicContact CB-CG 3.88Å; A521-F578 HydrophobicContact CB-CZ 3.89Å; A521-F578 WeakPolarHBondContact O-CD1 3.43Å; A521-F578 WeakPolarHBondContact O-CE1 3.33Å; A521-V581 HydrophobicContact CB-CB 4.49Å; A521-V581 HydrophobicContact CB-CG1 3.78Å
522	E	95.8	Very high	92.7	Very high	53 Å²	53	49.6 Å²	49.6	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-48.1	174.2	-174.2	169.2	-146.3	0	0	112	R518 A519 S524 Q525 S526 S533	R518-E522 IonicContact CZ-OE2 3.29Å; R518-E522 IonicContact NH1-OE2 3.64Å; R518-E522 PolarHBondContact NH1-OE2 3.4Å; R518-E522 IonicContact NH2-OE2 2.7Å; R518-E522 PolarHBondContact NH2-OE2 3.31Å; R518-E522 PolarHBondContact O-N 3.11Å; A519-E522 PolarHBondContact O-N 3.3Å; E522-S524 VanDerWaalsContact C-N 3.28Å; E522-S524 PolarHBondContact O-N 3.11Å; E522-Q525 PolarHBondContact O-N 3.32Å; E522-S526 WeakPolarHBondContact O-CB 3.36Å; E522-S526 PolarHBondContact O-N 2.97Å; E522-S533 WeakPolarHBondContact OE1-CB 3.1Å; E522-S533 PolarHBondContact OE1-OG 2.84Å
523	E	94.5	Very high	92.7	Very high	83 Å²	83	47.5 Å²	47.5	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-56.9	-36.9	176.4	-171.3	-167.9	138.7	0	0	112.8	A519 K520 Q525 L584	A519-E523 VanDerWaalsContact O-CB 3.31Å; A519-E523 WeakPolarHBondContact O-CB 3.41Å; A519-E523 PolarHBondContact O-N 2.94Å; K520-E523 WeakPolarHBondContact CD-OE2 3.36Å; K520-E523 VanDerWaalsContact CE-OE2 3.27Å; K520-E523 WeakPolarHBondContact CE-OE2 3.39Å; K520-E523 IonicContact NZ-OE1 2.99Å; K520-E523 PolarHBondContact NZ-OE1 2.87Å; K520-E523 IonicContact NZ-OE2 2.77Å; K520-E523 PolarHBondContact NZ-OE2 2.81Å; K520-E523 PolarHBondContact O-N 2.92Å; E523-Q525 VanDerWaalsContact C-N 3.27Å; E523-Q525 PolarHBondContact O-N 2.91Å; E523-L584 HydrophobicContact CG-CD1 4.4Å; E523-L584 WeakPolarHBondContact O-CD1 3.28Å
524	S	93.3	Very high	92.8	Very high	20 Å²	20	51.9 Å²	51.9	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-69.6	-19.3	-177.2	69.7	0	0	0	0	114.8	K520 A521 E522	K520-S524 WeakPolarHBondContact O-CB 3.31Å; K520-S524 PolarHBondContact O-N 2.9Å; A521-S524 PolarHBondContact O-N 2.77Å; A521-S524 PolarHBondContact O-OG 3.44Å; E522-S524 VanDerWaalsContact C-N 3.28Å; E522-S524 PolarHBondContact O-N 3.11Å
525	Q	91.3	Very high	92.7	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-138.6	1.9	-171.5	-72.6	177.9	-12.6	0	0	114.4	E71 E522 E523 D527 T528 L529 A532 G577 F578	E71-Q525 PolarHBondContact OE2-NE2 2.92Å; E522-Q525 PolarHBondContact O-N 3.32Å; E523-Q525 VanDerWaalsContact C-N 3.27Å; E523-Q525 PolarHBondContact O-N 2.91Å; Q525-D527 PolarHBondContact O-N 2.93Å; Q525-T528 PolarHBondContact O-N 3.09Å; Q525-T528 VanDerWaalsContact O-N 3.12Å; Q525-T528 PolarHBondContact O-OG1 2.65Å; Q525-L529 HydrophobicContact CB-CB 4.49Å; Q525-L529 HydrophobicContact CB-CD1 4.48Å; Q525-L529 HydrophobicContact CG-CD1 4.35Å; Q525-L529 PolarHBondContact O-N 2.88Å; Q525-A532 HydrophobicContact CB-CB 3.78Å; Q525-G577 PolarHBondContact NE2-O 2.78Å; Q525-F578 HydrophobicContact CG-CD1 4.43Å
526	S	84.8	Confident	92.7	Very high	64 Å²	64	47.7 Å²	47.7	45%	0.448	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38	-178.2	57.2	0	0	0	0	113.9	E522 T528	E522-S526 WeakPolarHBondContact O-CB 3.36Å; E522-S526 PolarHBondContact O-N 2.97Å; S526-T528 VanDerWaalsContact C-N 3.34Å
527	D	84	Confident	92.8	Very high	158 Å²	158	50 Å²	50	85%	0.845	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-9	-173.4	-65.9	17.1	0	0	0	112.2	Q525	Q525-D527 PolarHBondContact O-N 2.93Å
528	T	82.8	Confident	92.8	Very high	98 Å²	98	54.6 Å²	54.6	60%	0.601	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-30.6	-174.4	59.2	0	0	0	0	113.8	Q525 S526	Q525-T528 PolarHBondContact O-N 3.09Å; Q525-T528 VanDerWaalsContact O-N 3.12Å; Q525-T528 PolarHBondContact O-OG1 2.65Å; S526-T528 VanDerWaalsContact C-N 3.34Å
529	L	86.8	Confident	92.6	Very high	41 Å²	41	53.6 Å²	53.6	22%	0.215	30%	0.302	C	S	.	.			trans	-137.6	109.8	-174	-64.6	174.1	0	0	0	111.2	Q525 D531 A532	Q525-L529 HydrophobicContact CB-CB 4.49Å; Q525-L529 HydrophobicContact CB-CD1 4.48Å; Q525-L529 HydrophobicContact CG-CD1 4.35Å; Q525-L529 PolarHBondContact O-N 2.88Å; L529-D531 PolarHBondContact O-N 2.9Å; L529-D531 VanDerWaalsContact O-N 3.09Å; L529-A532 VanDerWaalsContact O-CB 3.23Å; L529-A532 WeakPolarHBondContact O-CB 3.34Å; L529-A532 PolarHBondContact O-N 3.42Å
530	S	89.7	Confident	92.7	Very high	126 Å²	126	52.2 Å²	52.2	88%	0.881	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.7	-174.4	56.5	0	0	0	0	115.3
531	D	93	Very high	92.7	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.342	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	5.4	178.6	69.5	-40.2	0	0	0	113.2	L529 S533 D534 R535	L529-D531 PolarHBondContact O-N 2.9Å; L529-D531 VanDerWaalsContact O-N 3.09Å; D531-S533 VanDerWaalsContact C-N 3.25Å; D531-S533 PolarHBondContact O-N 3.05Å; D531-D534 PolarHBondContact O-N 2.97Å; D531-R535 PolarHBondContact O-N 2.67Å; D531-R535 IonicContact OD1-CZ 2.71Å; D531-R535 IonicContact OD1-NH1 2.67Å; D531-R535 PolarHBondContact OD1-NH1 2.64Å; D531-R535 IonicContact OD2-CZ 3.94Å; D531-R535 IonicContact OD2-NH1 3.61Å; D531-R535 PolarHBondContact OD2-NH1 3.08Å
532	A	93.3	Very high	92.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-56.6	-37.9	176.8	0	0	0	0	0	112.5	Q525 L529 S536 F578	Q525-A532 HydrophobicContact CB-CB 3.78Å; L529-A532 VanDerWaalsContact O-CB 3.23Å; L529-A532 WeakPolarHBondContact O-CB 3.34Å; L529-A532 PolarHBondContact O-N 3.42Å; A532-S536 WeakPolarHBondContact O-CB 3.43Å; A532-S536 PolarHBondContact O-N 3.24Å; A532-F578 HydrophobicContact CB-CE1 4.4Å; A532-F578 WeakPolarHBondContact O-CZ 3.44Å
533	S	95.5	Very high	92.5	Very high	40 Å²	40	57.1 Å²	57.1	28%	0.28	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-50.6	175.9	-164.2	0	0	0	0	111.6	E522 D531 R535 S536 H537	E522-S533 WeakPolarHBondContact OE1-CB 3.1Å; E522-S533 PolarHBondContact OE1-OG 2.84Å; D531-S533 VanDerWaalsContact C-N 3.25Å; D531-S533 PolarHBondContact O-N 3.05Å; S533-R535 PolarHBondContact O-N 3.07Å; S533-S536 PolarHBondContact O-N 3.47Å; S533-S536 PolarHBondContact O-OG 3.38Å; S533-H537 PolarHBondContact O-N 3.03Å; S533-H537 VanDerWaalsContact O-N 3.13Å; S533-H537 PolarHBondContact O-ND1 2.87Å
534	D	94.9	Very high	92.6	Very high	107 Å²	107	56.9 Å²	56.9	57%	0.572	31%	0.31	S	S	*	.	H	α-helix	trans	-63.1	-41.8	-180	-71.6	-31.4	0	0	0	112.2	D531 S536 H537 Q538	D531-D534 PolarHBondContact O-N 2.97Å; D534-S536 VanDerWaalsContact C-N 3.35Å; D534-H537 PolarHBondContact O-N 2.98Å; D534-Q538 WeakPolarHBondContact O-CG 3.39Å; D534-Q538 PolarHBondContact O-N 2.84Å; D534-Q538 PolarHBondContact O-NE2 2.76Å; D534-Q538 VanDerWaalsContact O-NE2 3.1Å
535	R	94.5	Very high	92.6	Very high	26 Å²	26	59.4 Å²	59.4	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-38.8	175.6	-66.9	-164.2	-51.6	-98.5	-11.5	111.8	D531 S533 H537 Q538 F539 Y576 F578	D531-R535 PolarHBondContact O-N 2.67Å; D531-R535 IonicContact OD1-CZ 2.71Å; D531-R535 IonicContact OD1-NH1 2.67Å; D531-R535 PolarHBondContact OD1-NH1 2.64Å; D531-R535 IonicContact OD2-CZ 3.94Å; D531-R535 IonicContact OD2-NH1 3.61Å; D531-R535 PolarHBondContact OD2-NH1 3.08Å; S533-R535 PolarHBondContact O-N 3.07Å; R535-H537 PolarHBondContact O-N 2.85Å; R535-Q538 PolarHBondContact O-N 2.94Å; R535-F539 PolarHBondContact O-N 3Å; R535-Y576 VanDerWaalsContact CD-O 3.24Å; R535-Y576 WeakPolarHBondContact CD-O 3.19Å; R535-Y576 PolarHBondContact NE-O 3.16Å; R535-F578 HydrophobicContact CB-CE2 3.8Å; R535-F578 HydrophobicContact CB-CZ 3.72Å
536	S	96.3	Very high	92.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-43.1	178.4	81.6	0	0	0	0	111.5	R518 A532 S533 D534 F539 A540	R518-S536 WeakPolarHBondContact CG-O 3.47Å; R518-S536 PolarHBondContact NH1-OG 2.61Å; R518-S536 VanDerWaalsContact NH1-OG 3.1Å; A532-S536 WeakPolarHBondContact O-CB 3.43Å; A532-S536 PolarHBondContact O-N 3.24Å; S533-S536 PolarHBondContact O-N 3.47Å; S533-S536 PolarHBondContact O-OG 3.38Å; D534-S536 VanDerWaalsContact C-N 3.35Å; S536-F539 WeakPolarHBondContact O-CB 3.4Å; S536-F539 PolarHBondContact O-N 3.48Å; S536-A540 PolarHBondContact O-N 3.42Å
537	H	97.6	Very high	93.2	Very high	93 Å²	93	56.5 Å²	56.5	43%	0.431	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-40.3	178.8	-73	91.1	0	0	0	112	R518 S533 D534 R535 A540 E541	R518-H537 PolarHBondContact NH1-CE1 2.95Å; S533-H537 PolarHBondContact O-N 3.03Å; S533-H537 VanDerWaalsContact O-N 3.13Å; S533-H537 PolarHBondContact O-ND1 2.87Å; D534-H537 PolarHBondContact O-N 2.98Å; R535-H537 PolarHBondContact O-N 2.85Å; H537-A540 PolarHBondContact O-N 3.23Å; H537-E541 PolarHBondContact O-N 3.4Å
538	Q	94.9	Very high	93.7	Very high	97 Å²	97	55.5 Å²	55.5	45%	0.453	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-41.6	175	-68.1	169.7	66	0	0	112.3	D534 R535 A540 R542 Y576	D534-Q538 WeakPolarHBondContact O-CG 3.39Å; D534-Q538 PolarHBondContact O-N 2.84Å; D534-Q538 PolarHBondContact O-NE2 2.76Å; D534-Q538 VanDerWaalsContact O-NE2 3.1Å; R535-Q538 PolarHBondContact O-N 2.94Å; Q538-A540 VanDerWaalsContact C-N 3.34Å; Q538-A540 PolarHBondContact O-N 3.11Å; Q538-R542 VanDerWaalsContact O-CB 3.26Å; Q538-R542 WeakPolarHBondContact O-CB 3.17Å; Q538-R542 PolarHBondContact O-N 3.19Å; Q538-Y576 HydrophobicContact CB-CD1 3.91Å; Q538-Y576 HydrophobicContact CB-CE1 3.42Å; Q538-Y576 VanDerWaalsContact CB-CE1 3.42Å
539	F	94.3	Very high	94	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-53.3	-51.3	169.5	153.4	-99	0	0	0	111.2	H517 R535 S536 R542 Y543 F572 L573 Y576	H517-F539 HydrophobicContact CB-CE1 4.17Å; H517-F539 HydrophobicContact CB-CZ 4.26Å; R535-F539 PolarHBondContact O-N 3Å; S536-F539 WeakPolarHBondContact O-CB 3.4Å; S536-F539 PolarHBondContact O-N 3.48Å; F539-R542 PolarHBondContact O-N 3.5Å; F539-Y543 HydrophobicContact CE2-CD1 4.49Å; F539-Y543 HydrophobicContact CE2-CG 4.42Å; F539-Y543 HydrophobicContact CZ-CD1 4.35Å; F539-Y543 VanDerWaalsContact O-CB 3.3Å; F539-Y543 WeakPolarHBondContact O-CB 3.25Å; F539-Y543 PolarHBondContact O-N 2.91Å; F539-F572 HydrophobicContact CD2-CB 3.81Å; F539-F572 HydrophobicContact CE2-CB 3.77Å; F539-L573 HydrophobicContact CD1-CD2 3.95Å; F539-L573 HydrophobicContact CD2-CD2 3.77Å; F539-L573 HydrophobicContact CD2-CG 4.16Å; F539-L573 HydrophobicContact CE1-CD2 3.74Å; F539-L573 HydrophobicContact CE2-CD2 3.54Å; F539-L573 HydrophobicContact CE2-CG 3.64Å; F539-L573 HydrophobicContact CG-CD2 3.98Å; F539-L573 HydrophobicContact CZ-CD2 3.53Å; F539-L573 HydrophobicContact CZ-CG 3.88Å; F539-Y576 HydrophobicContact CB-CD2 3.72Å; F539-Y576 HydrophobicContact CB-CE2 4.42Å; F539-Y576 HydrophobicContact CB-CG 3.82Å; F539-Y576 HydrophobicContact CD2-CD2 4.48Å
540	A	96.9	Very high	94.2	Very high	12 Å²	12	51 Å²	51	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-45.6	-175.6	0	0	0	0	0	112.3	I514 R518 S536 H537 Q538 K544	I514-A540 HydrophobicContact CG2-CB 3.59Å; R518-A540 HydrophobicContact CB-CB 4.17Å; R518-A540 HydrophobicContact CG-CB 3.9Å; S536-A540 PolarHBondContact O-N 3.42Å; H537-A540 PolarHBondContact O-N 3.23Å; Q538-A540 VanDerWaalsContact C-N 3.34Å; Q538-A540 PolarHBondContact O-N 3.11Å; A540-K544 WeakPolarHBondContact O-CB 3.35Å; A540-K544 PolarHBondContact O-N 3.43Å; A540-K544 VanDerWaalsContact O-N 3.08Å
541	E	96.1	Very high	94.3	Very high	137 Å²	137	48.5 Å²	48.5	64%	0.64	23%	0.234	S	C	*	.	H	α-helix	trans	-61.8	-47.6	176.2	-174.3	-178.3	179.1	0	0	111.3	H537 K544 R545	H537-E541 PolarHBondContact O-N 3.4Å; E541-K544 PolarHBondContact O-N 2.75Å; E541-R545 PolarHBondContact O-N 2.98Å
542	R	92.8	Very high	94.1	Very high	30 Å²	30	49.7 Å²	49.7	11%	0.113	25%	0.253	C	S	.	.	H	α-helix	trans	-71.1	-41.1	-173.8	-172.4	64.7	-179.2	110.7	-4.1	112.7	V383 S385 Q538 F539 R545 F546 E549 F572 Y576	V383-R542 HydrophobicContact CG1-CG 4.39Å; V383-R542 PolarHBondContact O-NE 3.36Å; V383-R542 PolarHBondContact O-NH2 2.85Å; S385-R542 PolarHBondContact O-NH2 3.29Å; Q538-R542 VanDerWaalsContact O-CB 3.26Å; Q538-R542 WeakPolarHBondContact O-CB 3.17Å; Q538-R542 PolarHBondContact O-N 3.19Å; F539-R542 PolarHBondContact O-N 3.5Å; R542-R545 WeakPolarHBondContact O-CB 3.37Å; R542-R545 PolarHBondContact O-N 2.9Å; R542-F546 PolarHBondContact O-N 3.29Å; R542-E549 IonicContact NH1-OE1 3.74Å; R542-E549 IonicContact NH1-OE2 3.77Å; R542-E549 PolarHBondContact NH1-OE2 3.39Å; R542-F572 HydrophobicContact CB-CE1 4.42Å; R542-F572 HydrophobicContact CG-CD1 4.37Å; R542-F572 HydrophobicContact CG-CE1 3.69Å; R542-Y576 HydrophobicContact CB-CE2 4.07Å; R542-Y576 WeakPolarHBondContact CB-OH 3.21Å; R542-Y576 HydrophobicContact CG-CE2 4.38Å
543	Y	95.3	Very high	93.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-40.2	175.9	-177.6	-123.4	0	0	0	111.5	F510 I514 F539 R545 F546 L547 L565 A568 Q569 F572	F510-Y543 WeakPolarHBondContact CD1-OH 3.38Å; I514-Y543 HydrophobicContact CD1-CD1 3.85Å; I514-Y543 HydrophobicContact CD1-CE1 4.4Å; I514-Y543 HydrophobicContact CG1-CD1 3.88Å; I514-Y543 HydrophobicContact CG1-CE1 4.19Å; F539-Y543 HydrophobicContact CE2-CD1 4.49Å; F539-Y543 HydrophobicContact CE2-CG 4.42Å; F539-Y543 HydrophobicContact CZ-CD1 4.35Å; F539-Y543 VanDerWaalsContact O-CB 3.3Å; F539-Y543 WeakPolarHBondContact O-CB 3.25Å; F539-Y543 PolarHBondContact O-N 2.91Å; Y543-R545 VanDerWaalsContact C-N 3.27Å; Y543-R545 PolarHBondContact O-N 3.15Å; Y543-F546 HydrophobicContact CD2-CD1 4.09Å; Y543-F546 HydrophobicContact CE2-CD1 4.1Å; Y543-F546 WeakPolarHBondContact O-CB 3.29Å; Y543-F546 PolarHBondContact O-N 2.85Å; Y543-F546 VanDerWaalsContact O-N 3.11Å; Y543-L547 HydrophobicContact CE1-CD1 4.07Å; Y543-L547 HydrophobicContact CE1-CG 4.37Å; Y543-L547 HydrophobicContact CE2-CD2 4.04Å; Y543-L547 HydrophobicContact CE2-CG 4.34Å; Y543-L547 WeakPolarHBondContact O-CG 3.31Å; Y543-L547 PolarHBondContact O-N 2.85Å; Y543-L565 PolarHBondContact OH-O 3.48Å; Y543-A568 HydrophobicContact CE2-CB 4.33Å; Y543-Q569 HydrophobicContact CE1-CB 4.24Å; Y543-Q569 HydrophobicContact CE1-CG 3.97Å; Y543-Q569 HydrophobicContact CE2-CB 4.25Å; Y543-Q569 WeakPolarHBondContact OH-CB 3.3Å; Y543-F572 HydrophobicContact CD2-CB 4.34Å; Y543-F572 AromaticContact CD2-CD2 3.41Å; Y543-F572 HydrophobicContact CD2-CD2 3.41Å; Y543-F572 VanDerWaalsContact CD2-CD2 3.41Å; Y543-F572 AromaticContact CD2-CE2 3.85Å; Y543-F572 HydrophobicContact CD2-CE2 3.85Å; Y543-F572 AromaticContact CD2-CG 3.93Å; Y543-F572 HydrophobicContact CD2-CG 3.93Å; Y543-F572 HydrophobicContact CE2-CD2 4.08Å; Y543-F572 HydrophobicContact CG-CD2 4.3Å; Y543-F572 HydrophobicContact CG-CG 4.41Å
544	K	96.3	Very high	93.7	Very high	78 Å²	78	51 Å²	51	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-39	172.1	-175.4	179.8	-176	75.6	0	112.3	E511 I514 A540 E541 R548	E511-K544 HydrophobicContact CG-CG 4.29Å; E511-K544 VanDerWaalsContact OE1-CE 3.29Å; E511-K544 WeakPolarHBondContact OE1-CE 3.46Å; E511-K544 IonicContact OE1-NZ 3.32Å; E511-K544 PolarHBondContact OE1-NZ 3.43Å; I514-K544 HydrophobicContact CD1-CB 3.58Å; I514-K544 HydrophobicContact CD1-CG 4.18Å; A540-K544 WeakPolarHBondContact O-CB 3.35Å; A540-K544 PolarHBondContact O-N 3.43Å; A540-K544 VanDerWaalsContact O-N 3.08Å; E541-K544 PolarHBondContact O-N 2.75Å; K544-R548 WeakPolarHBondContact O-CD 3.25Å; K544-R548 WeakPolarHBondContact O-CG 3.22Å; K544-R548 PolarHBondContact O-N 3.38Å
545	R	93.5	Very high	93.4	Very high	74 Å²	74	46 Å²	46	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-66.9	-44.3	173.3	174.8	170.9	172.4	156.4	-3.8	112.2	S386 G387 T389 E541 R542 Y543 L547 R548 E549	S386-R545 PolarHBondContact O-NH2 2.95Å; G387-R545 PolarHBondContact O-NH2 3.32Å; T389-R545 PolarHBondContact OG1-NH1 3.13Å; E541-R545 PolarHBondContact O-N 2.98Å; R542-R545 WeakPolarHBondContact O-CB 3.37Å; R542-R545 PolarHBondContact O-N 2.9Å; Y543-R545 VanDerWaalsContact C-N 3.27Å; Y543-R545 PolarHBondContact O-N 3.15Å; R545-L547 PolarHBondContact O-N 2.56Å; R545-R548 WeakPolarHBondContact O-CB 3.18Å; R545-R548 PolarHBondContact O-N 2.99Å; R545-R548 VanDerWaalsContact O-N 3.1Å; R545-E549 HydrophobicContact CG-CG 4.49Å; R545-E549 VanDerWaalsContact CG-OE1 3.23Å; R545-E549 WeakPolarHBondContact CG-OE1 3.12Å; R545-E549 IonicContact CZ-OE1 3.84Å; R545-E549 IonicContact NE-OE1 3.15Å; R545-E549 PolarHBondContact NE-OE1 2.95Å; R545-E549 IonicContact NH2-OE1 3.88Å; R545-E549 WeakPolarHBondContact O-CG 3.42Å; R545-E549 PolarHBondContact O-N 3.2Å
546	F	92.6	Very high	92.8	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-42.1	176.5	173.8	-102.1	0	0	0	112.9	Y382 R542 Y543 R548 E549 L550 H557 A568 F572	Y382-F546 AromaticContact CD1-CE2 3.86Å; Y382-F546 HydrophobicContact CD1-CE2 3.86Å; Y382-F546 AromaticContact CD1-CZ 3.58Å; Y382-F546 HydrophobicContact CD1-CZ 3.58Å; Y382-F546 HydrophobicContact CE1-CZ 4.39Å; Y382-F546 HydrophobicContact CG-CE2 4.15Å; Y382-F546 AromaticContact CG-CZ 3.84Å; Y382-F546 HydrophobicContact CG-CZ 3.84Å; R542-F546 PolarHBondContact O-N 3.29Å; Y543-F546 HydrophobicContact CD2-CD1 4.09Å; Y543-F546 HydrophobicContact CE2-CD1 4.1Å; Y543-F546 WeakPolarHBondContact O-CB 3.29Å; Y543-F546 PolarHBondContact O-N 2.85Å; Y543-F546 VanDerWaalsContact O-N 3.11Å; F546-R548 VanDerWaalsContact C-N 3.25Å; F546-R548 PolarHBondContact O-N 2.99Å; F546-E549 WeakPolarHBondContact O-CB 3.37Å; F546-E549 PolarHBondContact O-N 3.13Å; F546-E549 VanDerWaalsContact O-N 3.17Å; F546-L550 HydrophobicContact CD1-CD1 3.97Å; F546-L550 HydrophobicContact CE1-CD1 3.38Å; F546-L550 HydrophobicContact CE1-CG 4.16Å; F546-L550 HydrophobicContact CE2-CD1 4.39Å; F546-L550 HydrophobicContact CE2-CG 4.36Å; F546-L550 HydrophobicContact CZ-CD1 3.63Å; F546-L550 HydrophobicContact CZ-CD2 4.3Å; F546-L550 HydrophobicContact CZ-CG 4.06Å; F546-L550 PolarHBondContact O-N 3.49Å; F546-H557 AromaticContact CE2-CD2 3.71Å; F546-H557 AromaticContact CE2-NE2 3.97Å; F546-A568 HydrophobicContact CD1-CB 4.44Å; F546-A568 HydrophobicContact CE1-CB 3.57Å; F546-A568 HydrophobicContact CZ-CB 4.13Å; F546-F572 HydrophobicContact CB-CE2 3.87Å; F546-F572 HydrophobicContact CB-CZ 3.66Å; F546-F572 HydrophobicContact CD1-CD2 4.47Å; F546-F572 AromaticContact CD1-CE2 3.58Å; F546-F572 HydrophobicContact CD1-CE2 3.58Å; F546-F572 HydrophobicContact CD1-CZ 4.24Å; F546-F572 HydrophobicContact CD2-CE2 4.06Å; F546-F572 HydrophobicContact CD2-CZ 4.08Å; F546-F572 HydrophobicContact CE1-CE2 4.08Å; F546-F572 AromaticContact CG-CE2 3.56Å; F546-F572 HydrophobicContact CG-CE2 3.56Å; F546-F572 AromaticContact CG-CZ 3.75Å; F546-F572 HydrophobicContact CG-CZ 3.75Å
547	L	95.3	Very high	92.1	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-33.3	174.5	-65.4	-177.1	0	0	0	113	L507 F510 E511 I514 Y543 R545 S551 L565	L507-L547 HydrophobicContact CD2-CD2 4.1Å; F510-L547 HydrophobicContact CB-CD1 3.73Å; F510-L547 HydrophobicContact CB-CD2 4.21Å; E511-L547 HydrophobicContact CB-CD1 4.06Å; I514-L547 HydrophobicContact CD1-CD1 4.03Å; Y543-L547 HydrophobicContact CE1-CD1 4.07Å; Y543-L547 HydrophobicContact CE1-CG 4.37Å; Y543-L547 HydrophobicContact CE2-CD2 4.04Å; Y543-L547 HydrophobicContact CE2-CG 4.34Å; Y543-L547 WeakPolarHBondContact O-CG 3.31Å; Y543-L547 PolarHBondContact O-N 2.85Å; R545-L547 PolarHBondContact O-N 2.56Å; L547-S551 PolarHBondContact O-N 3.19Å; L547-L565 HydrophobicContact CD2-CD2 3.64Å
548	R	94.2	Very high	91.5	Very high	138 Å²	138	42.4 Å²	42.4	52%	0.521	22%	0.219	S	C	.	.	H	α-helix	trans	-75.1	-33.3	176.4	-67.7	166	178.1	-149.8	-7.7	112.2	E511 K544 R545 F546 S551 A552	E511-R548 IonicContact OE1-CZ 3.81Å; E511-R548 IonicContact OE1-NE 3.15Å; E511-R548 PolarHBondContact OE1-NE 3.3Å; E511-R548 IonicContact OE1-NH2 2.68Å; E511-R548 PolarHBondContact OE1-NH2 2.97Å; E511-R548 IonicContact OE2-NE 3.56Å; K544-R548 WeakPolarHBondContact O-CD 3.25Å; K544-R548 WeakPolarHBondContact O-CG 3.22Å; K544-R548 PolarHBondContact O-N 3.38Å; R545-R548 WeakPolarHBondContact O-CB 3.18Å; R545-R548 PolarHBondContact O-N 2.99Å; R545-R548 VanDerWaalsContact O-N 3.1Å; F546-R548 VanDerWaalsContact C-N 3.25Å; F546-R548 PolarHBondContact O-N 2.99Å; R548-S551 WeakPolarHBondContact O-CB 3.21Å; R548-S551 PolarHBondContact O-N 3.17Å; R548-A552 PolarHBondContact O-N 3.13Å
549	E	90.4	Very high	91.1	Very high	40 Å²	40	38.8 Å²	38.8	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-43.4	172.7	-69.9	161.9	175.2	0	0	110.3	S386 R542 R545 F546 S551 A552 D553	S386-E549 WeakPolarHBondContact CB-OE1 3.35Å; S386-E549 WeakPolarHBondContact CB-OE2 3.23Å; S386-E549 PolarHBondContact OG-OE2 3.44Å; R542-E549 IonicContact NH1-OE1 3.74Å; R542-E549 IonicContact NH1-OE2 3.77Å; R542-E549 PolarHBondContact NH1-OE2 3.39Å; R545-E549 HydrophobicContact CG-CG 4.49Å; R545-E549 VanDerWaalsContact CG-OE1 3.23Å; R545-E549 WeakPolarHBondContact CG-OE1 3.12Å; R545-E549 IonicContact CZ-OE1 3.84Å; R545-E549 IonicContact NE-OE1 3.15Å; R545-E549 PolarHBondContact NE-OE1 2.95Å; R545-E549 IonicContact NH2-OE1 3.88Å; R545-E549 WeakPolarHBondContact O-CG 3.42Å; R545-E549 PolarHBondContact O-N 3.2Å; F546-E549 WeakPolarHBondContact O-CB 3.37Å; F546-E549 PolarHBondContact O-N 3.13Å; F546-E549 VanDerWaalsContact O-N 3.17Å; E549-S551 VanDerWaalsContact C-N 3.3Å; E549-S551 PolarHBondContact O-N 3.46Å; E549-A552 PolarHBondContact O-N 3.1Å; E549-A552 VanDerWaalsContact O-N 3.15Å; E549-D553 PolarHBondContact O-N 3.46Å
550	L	90.7	Very high	91	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-26.9	170.8	-68.6	176.5	0	0	0	114.4	L507 F546 A552 D553 P554 H557 L560 L565	L507-L550 HydrophobicContact CD2-CB 4.28Å; F546-L550 HydrophobicContact CD1-CD1 3.97Å; F546-L550 HydrophobicContact CE1-CD1 3.38Å; F546-L550 HydrophobicContact CE1-CG 4.16Å; F546-L550 HydrophobicContact CE2-CD1 4.39Å; F546-L550 HydrophobicContact CE2-CG 4.36Å; F546-L550 HydrophobicContact CZ-CD1 3.63Å; F546-L550 HydrophobicContact CZ-CD2 4.3Å; F546-L550 HydrophobicContact CZ-CG 4.06Å; F546-L550 PolarHBondContact O-N 3.49Å; L550-A552 VanDerWaalsContact C-N 3.31Å; L550-D553 CarbonylContact O-C 3.59Å; L550-P554 VanDerWaalsContact O-CA 3.28Å; L550-P554 WeakPolarHBondContact O-CA 3.48Å; L550-H557 HydrophobicContact CD2-CB 4.1Å; L550-L560 HydrophobicContact CB-CD1 4.44Å; L550-L560 HydrophobicContact CD1-CD1 3.85Å; L550-L560 HydrophobicContact CD2-CD1 4.34Å; L550-L560 HydrophobicContact CG-CD1 4.46Å; L550-L565 HydrophobicContact CD1-CD2 3.73Å
551	S	91.9	Very high	90.9	Very high	73 Å²	73	38.4 Å²	38.4	51%	0.51	20%	0.199	S	C	.	.	H	α-helix	trans	-70.9	-29.4	173.4	-161.6	0	0	0	0	112.1	L547 R548 E549	L547-S551 PolarHBondContact O-N 3.19Å; R548-S551 WeakPolarHBondContact O-CB 3.21Å; R548-S551 PolarHBondContact O-N 3.17Å; E549-S551 VanDerWaalsContact C-N 3.3Å; E549-S551 PolarHBondContact O-N 3.46Å
552	A	89.6	Confident	90.8	Very high	89 Å²	89	32.2 Å²	32.2	74%	0.736	17%	0.171	S	C	*	.	H	α-helix	trans	-89.9	-37.5	179.4	0	0	0	0	0	113.5	R548 E549 L550	R548-A552 PolarHBondContact O-N 3.13Å; E549-A552 PolarHBondContact O-N 3.1Å; E549-A552 VanDerWaalsContact O-N 3.15Å; L550-A552 VanDerWaalsContact C-N 3.31Å
553	D	87.6	Confident	90.9	Very high	56 Å²	56	32.1 Å²	32.1	30%	0.299	17%	0.17	S	C	.	.			trans	-130.5	89.5	170.1	180	6.5	0	0	0	110.3	E549 L550 S555 G556	E549-D553 PolarHBondContact O-N 3.46Å; L550-D553 CarbonylContact O-C 3.59Å; D553-S555 PolarHBondContact O-N 3.21Å; D553-S555 VanDerWaalsContact O-N 3.14Å; D553-S555 WeakPolarHBondContact OD1-CA 3.45Å; D553-S555 PolarHBondContact OD1-N 3.29Å; D553-S555 PolarHBondContact OD1-OG 3.12Å; D553-G556 VanDerWaalsContact CG-N 3.28Å; D553-G556 PolarHBondContact O-N 3Å; D553-G556 PolarHBondContact OD1-N 3.09Å; D553-G556 VanDerWaalsContact OD2-CA 3.25Å; D553-G556 WeakPolarHBondContact OD2-CA 3.26Å; D553-G556 PolarHBondContact OD2-N 2.91Å
554	P	91.3	Very high	90.7	Very high	12 Å²	12	32.5 Å²	32.5	8%	0.078	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-1.9	177.3	29	-35	0	0	0	113.9	P169 L550 L560	P169-P554 HydrophobicContact CG-CG 4.14Å; L550-P554 VanDerWaalsContact O-CA 3.28Å; L550-P554 WeakPolarHBondContact O-CA 3.48Å; P554-L560 HydrophobicContact CB-CB 4.44Å; P554-L560 HydrophobicContact CB-CD2 3.66Å; P554-L560 WeakPolarHBondContact O-CB 3.32Å
555	S	88.2	Confident	90.6	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.028	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-9.5	172.3	54.4	0	0	0	0	114.4	H171 F173 D553 H557 G558	H171-S555 PolarHBondContact ND1-OG 2.87Å; F173-S555 WeakPolarHBondContact CZ-O 3.4Å; D553-S555 PolarHBondContact O-N 3.21Å; D553-S555 VanDerWaalsContact O-N 3.14Å; D553-S555 WeakPolarHBondContact OD1-CA 3.45Å; D553-S555 PolarHBondContact OD1-N 3.29Å; D553-S555 PolarHBondContact OD1-OG 3.12Å; S555-H557 PolarHBondContact O-N 3.02Å; S555-H557 VanDerWaalsContact O-N 3.08Å; S555-G558 PolarHBondContact O-N 3.09Å
556	G	82.8	Confident	90.6	Very high	11 Å²	11	26 Å²	26	11%	0.113	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.6	-169.5	0	0	0	0	0	114.2	R351 D553	R351-G556 PolarHBondContact NH2-O 2.92Å; D553-G556 VanDerWaalsContact CG-N 3.28Å; D553-G556 PolarHBondContact O-N 3Å; D553-G556 PolarHBondContact OD1-N 3.09Å; D553-G556 VanDerWaalsContact OD2-CA 3.25Å; D553-G556 WeakPolarHBondContact OD2-CA 3.26Å; D553-G556 PolarHBondContact OD2-N 2.91Å
557	H	81.4	Confident	90.5	Very high	31 Å²	31	27.2 Å²	27.2	14%	0.144	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	20.9	-176.3	-79.5	-64.7	0	0	0	115.2	R351 E380 Y382 S385 F546 L550 S555	R351-H557 PolarHBondContact NH1-O 3.2Å; R351-H557 VanDerWaalsContact NH2-CA 3.34Å; E380-H557 IonicContact OE2-CE1 2.7Å; E380-H557 IonicContact OE2-CG 2.77Å; E380-H557 IonicContact OE2-ND1 3.27Å; E380-H557 PolarHBondContact OE2-ND1 3.05Å; Y382-H557 AromaticContact CD1-ND1 3.97Å; Y382-H557 HydrophobicContact CE1-CB 4.29Å; S385-H557 VanDerWaalsContact CB-CE1 3.45Å; S385-H557 WeakPolarHBondContact CB-CE1 3.5Å; S385-H557 VanDerWaalsContact CB-NE2 3.29Å; S385-H557 WeakPolarHBondContact CB-NE2 3.36Å; S385-H557 PolarHBondContact OG-CE1 2.94Å; S385-H557 PolarHBondContact OG-NE2 3.17Å; F546-H557 AromaticContact CE2-CD2 3.71Å; F546-H557 AromaticContact CE2-NE2 3.97Å; L550-H557 HydrophobicContact CD2-CB 4.1Å; S555-H557 PolarHBondContact O-N 3.02Å; S555-H557 VanDerWaalsContact O-N 3.08Å
558	G	84.4	Confident	90.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	97.1	-147.1	-173.8	0	0	0	0	0	111.1	F173 S555 L560	F173-G558 WeakPolarHBondContact CE2-O 3.47Å; S555-G558 PolarHBondContact O-N 3.09Å; G558-L560 PolarHBondContact O-N 3.43Å
559	V	87.7	Confident	90.4	Very high	21 Å²	21	20.7 Å²	20.7	13%	0.127	13%	0.131	C	C	.	.	S	Bend	trans	-74.8	120.7	174	-169	0	0	0	0	109.5	D158 F173 D495 T497 T561	D158-V559 HydrophobicContact CB-CG2 4.18Å; F173-V559 HydrophobicContact CB-CG2 3.56Å; F173-V559 HydrophobicContact CD2-CG2 3.93Å; F173-V559 HydrophobicContact CG-CG2 3.94Å; D495-V559 HydrophobicContact CB-CG1 4.46Å; D495-V559 VanDerWaalsContact OD1-CG1 3.23Å; D495-V559 WeakPolarHBondContact OD1-CG1 3.4Å; T497-V559 WeakPolarHBondContact OG1-CG1 3.35Å; V559-T561 HydrophobicContact CB-CG2 4.1Å; V559-T561 HydrophobicContact CG1-CG2 3.46Å; V559-T561 VanDerWaalsContact CG1-CG2 3.46Å; V559-T561 PolarHBondContact O-N 3.4Å
560	L	92.4	Very high	90.5	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	13%	0.125	C	C	.	.			trans	-75.5	117.2	171.2	-178.6	60.2	0	0	0	109.5	L496 T497 R503 L507 L550 P554 G558 L565	L496-L560 WeakPolarHBondContact CA-O 3.23Å; L496-L560 HydrophobicContact CB-CB 4.43Å; L496-L560 HydrophobicContact CB-CD2 4.36Å; L496-L560 HydrophobicContact CB-CG 4.02Å; L496-L560 WeakPolarHBondContact CB-O 3.38Å; L496-L560 PolarHBondContact N-O 2.99Å; T497-L560 PolarHBondContact N-O 3.28Å; T497-L560 PolarHBondContact OG1-N 2.97Å; R503-L560 HydrophobicContact CG-CD2 3.92Å; L507-L560 HydrophobicContact CD1-CD2 4.48Å; L550-L560 HydrophobicContact CB-CD1 4.44Å; L550-L560 HydrophobicContact CD1-CD1 3.85Å; L550-L560 HydrophobicContact CD2-CD1 4.34Å; L550-L560 HydrophobicContact CG-CD1 4.46Å; P554-L560 HydrophobicContact CB-CB 4.44Å; P554-L560 HydrophobicContact CB-CD2 3.66Å; P554-L560 WeakPolarHBondContact O-CB 3.32Å; G558-L560 PolarHBondContact O-N 3.43Å; L560-L565 HydrophobicContact CD1-CD1 4.37Å; L560-L565 HydrophobicContact CD1-CD2 3.9Å; L560-L565 HydrophobicContact CD1-CG 4.01Å
561	T	93.9	Very high	90.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	13%	0.127	C	C	.	.			trans	-143.5	167.2	-179.5	78.6	0	0	0	0	111.1	D492 V559 R563 C564 L565	D492-T561 HydrophobicContact CB-CG2 3.89Å; D492-T561 WeakPolarHBondContact OD1-CB 3.47Å; D492-T561 WeakPolarHBondContact OD1-CG2 3.42Å; D492-T561 PolarHBondContact OD1-OG1 2.94Å; V559-T561 HydrophobicContact CB-CG2 4.1Å; V559-T561 HydrophobicContact CG1-CG2 3.46Å; V559-T561 VanDerWaalsContact CG1-CG2 3.46Å; V559-T561 PolarHBondContact O-N 3.4Å; T561-R563 VanDerWaalsContact C-N 3.27Å; T561-R563 PolarHBondContact O-N 2.93Å; T561-R563 PolarHBondContact OG1-N 3.15Å; T561-C564 WeakPolarHBondContact O-CB 3.3Å; T561-C564 PolarHBondContact O-N 3.3Å; T561-C564 VanDerWaalsContact O-N 3.12Å; T561-C564 PolarHBondContact OG1-N 3.06Å; T561-C564 VanDerWaalsContact OG1-N 3.12Å; T561-L565 WeakPolarHBondContact O-CG 3.5Å; T561-L565 PolarHBondContact O-N 3.46Å
562	V	95	Very high	90.4	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-37.7	175.2	-174.7	0	0	0	0	111.2	L496 W506 F510 L565 L566 H797	L496-V562 HydrophobicContact CD1-CG2 4.14Å; W506-V562 HydrophobicContact CD2-CG2 3.76Å; W506-V562 HydrophobicContact CE3-CG1 4.44Å; W506-V562 HydrophobicContact CE3-CG2 4.29Å; W506-V562 HydrophobicContact CG-CG2 3.96Å; W506-V562 HydrophobicContact CZ2-CG2 4.3Å; F510-V562 HydrophobicContact CE2-CG1 4.32Å; F510-V562 HydrophobicContact CZ-CG1 4.36Å; V562-L565 PolarHBondContact O-N 2.82Å; V562-L566 HydrophobicContact CG1-CD1 4.07Å; V562-L566 HydrophobicContact CG1-CG 4.42Å; V562-L566 WeakPolarHBondContact O-CB 3.12Å; V562-L566 WeakPolarHBondContact O-CG 3.46Å; V562-L566 PolarHBondContact O-N 3.01Å; V562-H797 HydrophobicContact CB-CB 4.42Å; V562-H797 HydrophobicContact CG1-CB 4.43Å
563	R	93.9	Very high	90.6	Very high	27 Å²	27	12.2 Å²	12.2	10%	0.102	7%	0.068	C	C	.	.	H	α-helix	trans	-58.7	-46.1	171	172.2	-176.1	62.5	85.7	1.8	111.6	D158 D492 T561 L565 L566 S567 C765	D158-R563 IonicContact OD2-NH2 2.73Å; D492-R563 VanDerWaalsContact CG-NE 3.34Å; D492-R563 VanDerWaalsContact OD1-CB 3.29Å; D492-R563 WeakPolarHBondContact OD1-CB 3.33Å; D492-R563 IonicContact OD1-CZ 3.64Å; D492-R563 IonicContact OD1-NE 3.94Å; D492-R563 PolarHBondContact OD1-NE 3.29Å; D492-R563 IonicContact OD1-NH2 2.74Å; D492-R563 IonicContact OD2-CZ 3.74Å; D492-R563 VanDerWaalsContact OD2-CZ 3.32Å; D492-R563 IonicContact OD2-NE 3.87Å; D492-R563 PolarHBondContact OD2-NE 3.33Å; D492-R563 VanDerWaalsContact OD2-NE 3.11Å; D492-R563 IonicContact OD2-NH2 3.19Å; D492-R563 PolarHBondContact OD2-NH2 3.04Å; T561-R563 VanDerWaalsContact C-N 3.27Å; T561-R563 PolarHBondContact O-N 2.93Å; T561-R563 PolarHBondContact OG1-N 3.15Å; R563-L565 VanDerWaalsContact C-N 3.35Å; R563-L565 PolarHBondContact O-N 3.3Å; R563-L566 PolarHBondContact O-N 2.94Å; R563-S567 WeakPolarHBondContact O-CB 3.37Å; R563-S567 PolarHBondContact O-N 2.96Å; R563-S567 PolarHBondContact O-OG 2.62Å; R563-S567 VanDerWaalsContact O-OG 3.13Å; R563-C765 HydrophobicContact CB-CB 3.86Å; R563-C765 HydrophobicContact CG-CB 3.69Å
564	C	90.9	Very high	90.6	Very high	8 Å²	8	11.8 Å²	11.8	5%	0.054	6%	0.063	C	C	.	.	H	α-helix	trans	-59.1	-44.5	176.1	141.5	0	0	0	0	111.6	T561 A568	T561-C564 WeakPolarHBondContact O-CB 3.3Å; T561-C564 PolarHBondContact O-N 3.3Å; T561-C564 VanDerWaalsContact O-N 3.12Å; T561-C564 PolarHBondContact OG1-N 3.06Å; T561-C564 VanDerWaalsContact OG1-N 3.12Å; C564-A568 VanDerWaalsContact O-CB 3.27Å; C564-A568 WeakPolarHBondContact O-CB 3.45Å; C564-A568 PolarHBondContact O-N 2.86Å
565	L	94.5	Very high	90.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.5	-40.6	-180	-68.7	171.8	0	0	0	112.9	L496 W506 L507 F510 Y543 L547 L550 L560 T561 V562 R563 Q569	L496-L565 HydrophobicContact CD1-CD1 4.12Å; W506-L565 HydrophobicContact CB-CD1 4.24Å; L507-L565 HydrophobicContact CD2-CD1 4.14Å; L507-L565 HydrophobicContact CD2-CD2 3.78Å; F510-L565 HydrophobicContact CD1-CB 4.32Å; F510-L565 HydrophobicContact CD2-CB 3.82Å; F510-L565 HydrophobicContact CD2-CD1 3.65Å; F510-L565 HydrophobicContact CD2-CG 4.28Å; F510-L565 HydrophobicContact CE1-CB 4.09Å; F510-L565 HydrophobicContact CE2-CB 3.57Å; F510-L565 HydrophobicContact CE2-CD1 3.82Å; F510-L565 HydrophobicContact CE2-CG 4.33Å; F510-L565 HydrophobicContact CG-CB 4.22Å; F510-L565 HydrophobicContact CZ-CB 3.73Å; Y543-L565 PolarHBondContact OH-O 3.48Å; L547-L565 HydrophobicContact CD2-CD2 3.64Å; L550-L565 HydrophobicContact CD1-CD2 3.73Å; L560-L565 HydrophobicContact CD1-CD1 4.37Å; L560-L565 HydrophobicContact CD1-CD2 3.9Å; L560-L565 HydrophobicContact CD1-CG 4.01Å; T561-L565 WeakPolarHBondContact O-CG 3.5Å; T561-L565 PolarHBondContact O-N 3.46Å; V562-L565 PolarHBondContact O-N 2.82Å; R563-L565 VanDerWaalsContact C-N 3.35Å; R563-L565 PolarHBondContact O-N 3.3Å; L565-Q569 WeakPolarHBondContact O-CB 3.31Å; L565-Q569 PolarHBondContact O-N 2.78Å
566	L	94.5	Very high	90.5	Very high	17 Å²	17	15.7 Å²	15.7	9%	0.089	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-51.2	173.3	-72.4	167.4	0	0	0	111.8	F510 V562 R563 A568 Q569 Q570 I723 P764 C765	F510-L566 HydrophobicContact CE1-CD2 3.9Å; F510-L566 HydrophobicContact CE1-CG 4.24Å; F510-L566 HydrophobicContact CZ-CD2 3.87Å; F510-L566 HydrophobicContact CZ-CG 3.88Å; V562-L566 HydrophobicContact CG1-CD1 4.07Å; V562-L566 HydrophobicContact CG1-CG 4.42Å; V562-L566 WeakPolarHBondContact O-CB 3.12Å; V562-L566 WeakPolarHBondContact O-CG 3.46Å; V562-L566 PolarHBondContact O-N 3.01Å; R563-L566 PolarHBondContact O-N 2.94Å; L566-A568 VanDerWaalsContact C-N 3.29Å; L566-A568 PolarHBondContact O-N 3.3Å; L566-Q569 WeakPolarHBondContact O-CB 3.22Å; L566-Q569 PolarHBondContact O-N 3.45Å; L566-Q569 VanDerWaalsContact O-N 3.14Å; L566-Q570 WeakPolarHBondContact O-CG 3.3Å; L566-Q570 PolarHBondContact O-N 3.45Å; L566-I723 HydrophobicContact CD2-CD1 4.08Å; L566-P764 HydrophobicContact CD2-CG 4.4Å; L566-C765 VanDerWaalsContact CD1-SG 3.55Å
567	S	90.6	Very high	90.8	Very high	26 Å²	26	15.6 Å²	15.6	18%	0.182	8%	0.077	C	C	.	.	H	α-helix	trans	-59.4	-40.2	177.9	-69.5	0	0	0	0	112.1	R563 H571 S763	R563-S567 WeakPolarHBondContact O-CB 3.37Å; R563-S567 PolarHBondContact O-N 2.96Å; R563-S567 PolarHBondContact O-OG 2.62Å; R563-S567 VanDerWaalsContact O-OG 3.13Å; S567-H571 VanDerWaalsContact O-CB 3.3Å; S567-H571 WeakPolarHBondContact O-CB 3.39Å; S567-H571 PolarHBondContact O-N 2.93Å; S567-S763 VanDerWaalsContact OG-CB 3.32Å; S567-S763 WeakPolarHBondContact OG-CB 3.1Å; S567-S763 PolarHBondContact OG-OG 2.6Å
568	A	91.3	Very high	91.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-47.1	173.8	0	0	0	0	0	111.5	Y382 Y543 F546 C564 L566 Q570 H571 F572	Y382-A568 HydrophobicContact CD2-CB 3.78Å; Y382-A568 HydrophobicContact CE2-CB 4.07Å; Y382-A568 HydrophobicContact CG-CB 4.15Å; Y543-A568 HydrophobicContact CE2-CB 4.33Å; F546-A568 HydrophobicContact CD1-CB 4.44Å; F546-A568 HydrophobicContact CE1-CB 3.57Å; F546-A568 HydrophobicContact CZ-CB 4.13Å; C564-A568 VanDerWaalsContact O-CB 3.27Å; C564-A568 WeakPolarHBondContact O-CB 3.45Å; C564-A568 PolarHBondContact O-N 2.86Å; L566-A568 VanDerWaalsContact C-N 3.29Å; L566-A568 PolarHBondContact O-N 3.3Å; A568-Q570 PolarHBondContact O-N 3.12Å; A568-H571 WeakPolarHBondContact O-CB 3.4Å; A568-H571 PolarHBondContact O-N 3.49Å; A568-H571 VanDerWaalsContact O-N 3.11Å; A568-F572 VanDerWaalsContact O-CD2 3.25Å; A568-F572 WeakPolarHBondContact O-CD2 3.39Å; A568-F572 PolarHBondContact O-N 2.77Å
569	Q	94.8	Very high	91.6	Very high	3 Å²	3	14.7 Å²	14.7	1%	0.014	8%	0.075	C	C	.	.	H	α-helix	trans	-54.7	-49.4	178	-168.3	-166.8	46.3	0	0	112.3	H517 Y543 L565 L566 H571 F572 L573	H517-Q569 PolarHBondContact CD2-NE2 3.43Å; H517-Q569 VanDerWaalsContact CD2-NE2 3.27Å; H517-Q569 PolarHBondContact CE1-NE2 2.79Å; H517-Q569 VanDerWaalsContact CG-NE2 3.34Å; H517-Q569 PolarHBondContact ND1-NE2 3.44Å; H517-Q569 PolarHBondContact NE2-NE2 3.45Å; H517-Q569 VanDerWaalsContact NE2-NE2 3.15Å; Y543-Q569 HydrophobicContact CE1-CB 4.24Å; Y543-Q569 HydrophobicContact CE1-CG 3.97Å; Y543-Q569 HydrophobicContact CE2-CB 4.25Å; Y543-Q569 WeakPolarHBondContact OH-CB 3.3Å; L565-Q569 WeakPolarHBondContact O-CB 3.31Å; L565-Q569 PolarHBondContact O-N 2.78Å; L566-Q569 WeakPolarHBondContact O-CB 3.22Å; L566-Q569 PolarHBondContact O-N 3.45Å; L566-Q569 VanDerWaalsContact O-N 3.14Å; Q569-H571 VanDerWaalsContact C-N 3.31Å; Q569-H571 PolarHBondContact O-N 3.07Å; Q569-F572 PolarHBondContact O-N 3.46Å; Q569-L573 WeakPolarHBondContact O-CG 3.21Å; Q569-L573 PolarHBondContact O-N 2.89Å; Q569-L573 VanDerWaalsContact O-N 3.09Å
570	Q	92.8	Very high	91.9	Very high	10 Å²	10	13.9 Å²	13.9	5%	0.047	7%	0.07	C	C	.	.	H	α-helix	trans	-68.5	-31.7	179.1	-55	-54.3	-60.9	0	0	111.7	L566 A568 R574 A722 I723	L566-Q570 WeakPolarHBondContact O-CG 3.3Å; L566-Q570 PolarHBondContact O-N 3.45Å; A568-Q570 PolarHBondContact O-N 3.12Å; Q570-R574 WeakPolarHBondContact O-CG 3.48Å; Q570-R574 PolarHBondContact O-N 3.32Å; Q570-R574 PolarHBondContact O-NE 3.12Å; Q570-A722 HydrophobicContact CG-CB 4.25Å; Q570-I723 VanDerWaalsContact OE1-N 3.08Å
571	H	88.4	Confident	92	Very high	14 Å²	14	14.1 Å²	14.1	7%	0.065	7%	0.072	C	C	.	.	H	α-helix	trans	-66.3	-46.7	173.2	-171.7	64.7	0	0	0	112.7	N381 Y382 D470 S567 A568 Q569 L573 R574 E575	N381-H571 PolarHBondContact OD1-NE2 2.8Å; Y382-H571 HydrophobicContact CD2-CB 4.23Å; D470-H571 IonicContact OD2-CE1 2.66Å; D470-H571 PolarHBondContact OD2-CE1 2.8Å; D470-H571 IonicContact OD2-NE2 3.58Å; D470-H571 PolarHBondContact OD2-NE2 2.93Å; D470-H571 VanDerWaalsContact OD2-NE2 3.15Å; S567-H571 VanDerWaalsContact O-CB 3.3Å; S567-H571 WeakPolarHBondContact O-CB 3.39Å; S567-H571 PolarHBondContact O-N 2.93Å; A568-H571 WeakPolarHBondContact O-CB 3.4Å; A568-H571 PolarHBondContact O-N 3.49Å; A568-H571 VanDerWaalsContact O-N 3.11Å; Q569-H571 VanDerWaalsContact C-N 3.31Å; Q569-H571 PolarHBondContact O-N 3.07Å; H571-L573 VanDerWaalsContact C-N 3.32Å; H571-L573 PolarHBondContact O-N 3.17Å; H571-R574 PolarHBondContact O-N 2.72Å; H571-E575 IonicContact CE1-OE1 2.74Å; H571-E575 PolarHBondContact CE1-OE1 3.06Å; H571-E575 IonicContact NE2-OE1 3.66Å; H571-E575 PolarHBondContact NE2-OE1 2.81Å; H571-E575 WeakPolarHBondContact O-CG 3.3Å; H571-E575 PolarHBondContact O-N 2.94Å
572	F	92.2	Very high	92.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.1	-42	175.6	-88.6	-77.9	0	0	0	111.6	Y382 V383 F539 R542 Y543 F546 A568 Q569 Y576	Y382-F572 WeakPolarHBondContact O-CZ 3.25Å; V383-F572 HydrophobicContact CB-CD1 4.45Å; V383-F572 HydrophobicContact CB-CE1 3.95Å; V383-F572 HydrophobicContact CB-CZ 4.49Å; V383-F572 HydrophobicContact CG1-CD1 4.4Å; V383-F572 HydrophobicContact CG1-CE1 3.96Å; V383-F572 HydrophobicContact CG2-CD1 3.69Å; V383-F572 HydrophobicContact CG2-CE1 3.62Å; V383-F572 HydrophobicContact CG2-CG 4.3Å; V383-F572 HydrophobicContact CG2-CZ 4.19Å; F539-F572 HydrophobicContact CD2-CB 3.81Å; F539-F572 HydrophobicContact CE2-CB 3.77Å; R542-F572 HydrophobicContact CB-CE1 4.42Å; R542-F572 HydrophobicContact CG-CD1 4.37Å; R542-F572 HydrophobicContact CG-CE1 3.69Å; Y543-F572 HydrophobicContact CD2-CB 4.34Å; Y543-F572 AromaticContact CD2-CD2 3.41Å; Y543-F572 HydrophobicContact CD2-CD2 3.41Å; Y543-F572 VanDerWaalsContact CD2-CD2 3.41Å; Y543-F572 AromaticContact CD2-CE2 3.85Å; Y543-F572 HydrophobicContact CD2-CE2 3.85Å; Y543-F572 AromaticContact CD2-CG 3.93Å; Y543-F572 HydrophobicContact CD2-CG 3.93Å; Y543-F572 HydrophobicContact CE2-CD2 4.08Å; Y543-F572 HydrophobicContact CG-CD2 4.3Å; Y543-F572 HydrophobicContact CG-CG 4.41Å; F546-F572 HydrophobicContact CB-CE2 3.87Å; F546-F572 HydrophobicContact CB-CZ 3.66Å; F546-F572 HydrophobicContact CD1-CD2 4.47Å; F546-F572 AromaticContact CD1-CE2 3.58Å; F546-F572 HydrophobicContact CD1-CE2 3.58Å; F546-F572 HydrophobicContact CD1-CZ 4.24Å; F546-F572 HydrophobicContact CD2-CE2 4.06Å; F546-F572 HydrophobicContact CD2-CZ 4.08Å; F546-F572 HydrophobicContact CE1-CE2 4.08Å; F546-F572 AromaticContact CG-CE2 3.56Å; F546-F572 HydrophobicContact CG-CE2 3.56Å; F546-F572 AromaticContact CG-CZ 3.75Å; F546-F572 HydrophobicContact CG-CZ 3.75Å; A568-F572 VanDerWaalsContact O-CD2 3.25Å; A568-F572 WeakPolarHBondContact O-CD2 3.39Å; A568-F572 PolarHBondContact O-N 2.77Å; Q569-F572 PolarHBondContact O-N 3.46Å; F572-Y576 HydrophobicContact CD1-CE2 4.28Å; F572-Y576 VanDerWaalsContact O-CD2 3.32Å; F572-Y576 WeakPolarHBondContact O-CD2 3.1Å; F572-Y576 PolarHBondContact O-N 2.97Å; F572-Y576 VanDerWaalsContact O-N 3.15Å
573	L	93.1	Very high	92	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.8	-73.7	173	0	0	0	112.4	A521 F539 Q569 H571 Y576 G577 F578 V581	A521-L573 HydrophobicContact CB-CD2 4.1Å; F539-L573 HydrophobicContact CD1-CD2 3.95Å; F539-L573 HydrophobicContact CD2-CD2 3.77Å; F539-L573 HydrophobicContact CD2-CG 4.16Å; F539-L573 HydrophobicContact CE1-CD2 3.74Å; F539-L573 HydrophobicContact CE2-CD2 3.54Å; F539-L573 HydrophobicContact CE2-CG 3.64Å; F539-L573 HydrophobicContact CG-CD2 3.98Å; F539-L573 HydrophobicContact CZ-CD2 3.53Å; F539-L573 HydrophobicContact CZ-CG 3.88Å; Q569-L573 WeakPolarHBondContact O-CG 3.21Å; Q569-L573 PolarHBondContact O-N 2.89Å; Q569-L573 VanDerWaalsContact O-N 3.09Å; H571-L573 VanDerWaalsContact C-N 3.32Å; H571-L573 PolarHBondContact O-N 3.17Å; L573-Y576 CarbonylContact O-C 3.53Å; L573-Y576 PolarHBondContact O-N 3.37Å; L573-G577 PolarHBondContact O-N 3.04Å; L573-F578 CarbonylContact C-O 3.56Å; L573-F578 HydrophobicContact CB-CB 4.4Å; L573-F578 HydrophobicContact CD2-CD2 4.45Å; L573-F578 WeakPolarHBondContact O-CB 3.25Å; L573-F578 PolarHBondContact O-N 2.93Å; L573-V581 HydrophobicContact CD1-CG1 4.06Å; L573-V581 HydrophobicContact CD1-CG2 3.88Å; L573-V581 HydrophobicContact CD2-CG1 3.97Å; L573-V581 HydrophobicContact CG-CG1 4.46Å
574	R	88.8	Confident	91.9	Very high	47 Å²	47	16.6 Å²	16.6	18%	0.177	9%	0.087	C	C	.	.	H	α-helix	trans	-64.2	-41.5	-179.9	-70.4	-179	-62	-109.8	4	113.1	Q570 H571 Y576 G577 T762	Q570-R574 WeakPolarHBondContact O-CG 3.48Å; Q570-R574 PolarHBondContact O-N 3.32Å; Q570-R574 PolarHBondContact O-NE 3.12Å; H571-R574 PolarHBondContact O-N 2.72Å; R574-Y576 VanDerWaalsContact C-N 3.31Å; R574-Y576 PolarHBondContact O-N 3.08Å; R574-G577 PolarHBondContact O-N 3.03Å; R574-T762 PolarHBondContact NH1-O 3.33Å; R574-T762 VanDerWaalsContact NH1-O 3.07Å
575	E	86.1	Confident	92	Very high	54 Å²	54	17.5 Å²	17.5	25%	0.252	9%	0.09	S	C	.	.	H	α-helix	trans	-66	-31.5	176.8	-71.8	-83.5	169.3	0	0	112.7	K78 N381 V383 H571 G577	K78-E575 WeakPolarHBondContact CE-OE1 3.28Å; K78-E575 IonicContact NZ-OE1 3.54Å; K78-E575 PolarHBondContact NZ-OE1 3.04Å; K78-E575 IonicContact NZ-OE2 3.98Å; K78-E575 PolarHBondContact NZ-OE2 3.21Å; N381-E575 PolarHBondContact ND2-OE1 2.78Å; V383-E575 HydrophobicContact CG2-CB 3.81Å; V383-E575 HydrophobicContact CG2-CG 3.68Å; H571-E575 IonicContact CE1-OE1 2.74Å; H571-E575 PolarHBondContact CE1-OE1 3.06Å; H571-E575 IonicContact NE2-OE1 3.66Å; H571-E575 PolarHBondContact NE2-OE1 2.81Å; H571-E575 WeakPolarHBondContact O-CG 3.3Å; H571-E575 PolarHBondContact O-N 2.94Å; E575-G577 PolarHBondContact O-N 3.06Å
576	Y	90.8	Very high	92	Very high	44 Å²	44	17.5 Å²	17.5	17%	0.173	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	14.8	170.6	-76.5	-76.7	0	0	0	113.6	V383 R535 Q538 F539 R542 F572 L573 R574 F578	V383-Y576 HydrophobicContact CG1-CE2 4.41Å; R535-Y576 VanDerWaalsContact CD-O 3.24Å; R535-Y576 WeakPolarHBondContact CD-O 3.19Å; R535-Y576 PolarHBondContact NE-O 3.16Å; Q538-Y576 HydrophobicContact CB-CD1 3.91Å; Q538-Y576 HydrophobicContact CB-CE1 3.42Å; Q538-Y576 VanDerWaalsContact CB-CE1 3.42Å; F539-Y576 HydrophobicContact CB-CD2 3.72Å; F539-Y576 HydrophobicContact CB-CE2 4.42Å; F539-Y576 HydrophobicContact CB-CG 3.82Å; F539-Y576 HydrophobicContact CD2-CD2 4.48Å; R542-Y576 HydrophobicContact CB-CE2 4.07Å; R542-Y576 WeakPolarHBondContact CB-OH 3.21Å; R542-Y576 HydrophobicContact CG-CE2 4.38Å; F572-Y576 HydrophobicContact CD1-CE2 4.28Å; F572-Y576 VanDerWaalsContact O-CD2 3.32Å; F572-Y576 WeakPolarHBondContact O-CD2 3.1Å; F572-Y576 PolarHBondContact O-N 2.97Å; F572-Y576 VanDerWaalsContact O-N 3.15Å; L573-Y576 CarbonylContact O-C 3.53Å; L573-Y576 PolarHBondContact O-N 3.37Å; R574-Y576 VanDerWaalsContact C-N 3.31Å; R574-Y576 PolarHBondContact O-N 3.08Å; Y576-F578 WeakPolarHBondContact O-CD2 3.34Å; Y576-F578 WeakPolarHBondContact O-CE2 3.42Å
577	G	89.4	Confident	91.8	Very high	10 Å²	10	19.6 Å²	19.6	10%	0.103	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	17.7	168.6	0	0	0	0	0	115.5	Q525 L573 R574 E575	Q525-G577 PolarHBondContact NE2-O 2.78Å; L573-G577 PolarHBondContact O-N 3.04Å; R574-G577 PolarHBondContact O-N 3.03Å; E575-G577 PolarHBondContact O-N 3.06Å
578	F	92.1	Very high	91.8	Very high	2 Å²	2	22 Å²	22	1%	0.009	11%	0.105	C	C	.	.			trans	-104.1	106.1	177.3	-57.5	-78.1	0	0	0	110.8	A521 Q525 A532 R535 L573 Y576 V581	A521-F578 HydrophobicContact CB-CD1 3.76Å; A521-F578 HydrophobicContact CB-CD2 4Å; A521-F578 HydrophobicContact CB-CE1 3.77Å; A521-F578 HydrophobicContact CB-CE2 4.01Å; A521-F578 HydrophobicContact CB-CG 3.88Å; A521-F578 HydrophobicContact CB-CZ 3.89Å; A521-F578 WeakPolarHBondContact O-CD1 3.43Å; A521-F578 WeakPolarHBondContact O-CE1 3.33Å; Q525-F578 HydrophobicContact CG-CD1 4.43Å; A532-F578 HydrophobicContact CB-CE1 4.4Å; A532-F578 WeakPolarHBondContact O-CZ 3.44Å; R535-F578 HydrophobicContact CB-CE2 3.8Å; R535-F578 HydrophobicContact CB-CZ 3.72Å; L573-F578 CarbonylContact C-O 3.56Å; L573-F578 HydrophobicContact CB-CB 4.4Å; L573-F578 HydrophobicContact CD2-CD2 4.45Å; L573-F578 WeakPolarHBondContact O-CB 3.25Å; L573-F578 PolarHBondContact O-N 2.93Å; Y576-F578 WeakPolarHBondContact O-CD2 3.34Å; Y576-F578 WeakPolarHBondContact O-CE2 3.42Å; F578-V581 HydrophobicContact CB-CG1 3.65Å; F578-V581 HydrophobicContact CG-CG1 4.23Å
579	G	89.8	Confident	91.9	Very high	10 Å²	10	22.3 Å²	22.3	10%	0.103	11%	0.106	C	C	.	.	S	Bend	trans	-74.2	-44.1	-178.2	0	0	0	0	0	113.7	R46	R46-G579 VanDerWaalsContact O-CA 3.31Å; R46-G579 WeakPolarHBondContact O-CA 3.23Å
580	D	94.3	Very high	91.8	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.105	C	C	.	.			trans	-148.9	101.9	177.1	-170.5	-22.1	0	0	0	110.9	S48 F582 C583 K586 P721	S48-D580 WeakPolarHBondContact OG-CB 3.49Å; S48-D580 PolarHBondContact OG-N 3.06Å; S48-D580 VanDerWaalsContact OG-N 3.13Å; D580-F582 PolarHBondContact O-N 3.48Å; D580-F582 WeakPolarHBondContact OD1-CA 3.26Å; D580-F582 PolarHBondContact OD1-N 3.12Å; D580-C583 HydrophobicContact CB-CB 3.99Å; D580-C583 PolarHBondContact O-SG 3.35Å; D580-C583 PolarHBondContact OD1-N 3.1Å; D580-K586 IonicContact OD1-NZ 2.76Å; D580-K586 WeakPolarHBondContact OD2-CE 3.18Å; D580-K586 IonicContact OD2-NZ 3.64Å; D580-K586 PolarHBondContact OD2-NZ 2.73Å; D580-P721 HydrophobicContact CB-CB 3.78Å; D580-P721 HydrophobicContact CB-CG 3.77Å
581	V	95.2	Very high	91.7	Very high	8 Å²	8	26 Å²	26	5%	0.048	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3	-179.5	-52.6	0	0	0	0	114	K520 A521 L573 F578	K520-V581 HydrophobicContact CB-CB 4.25Å; K520-V581 HydrophobicContact CB-CG2 4.24Å; A521-V581 HydrophobicContact CB-CB 4.49Å; A521-V581 HydrophobicContact CB-CG1 3.78Å; L573-V581 HydrophobicContact CD1-CG1 4.06Å; L573-V581 HydrophobicContact CD1-CG2 3.88Å; L573-V581 HydrophobicContact CD2-CG1 3.97Å; L573-V581 HydrophobicContact CG-CG1 4.46Å; F578-V581 HydrophobicContact CB-CG1 3.65Å; F578-V581 HydrophobicContact CG-CG1 4.23Å
582	F	95.4	Very high	91.8	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	4.2	178.4	-69.1	-89.5	0	0	0	112.9	Y516 K520 D580 L584 Q585 K586 W628 I723 N724	Y516-F582 HydrophobicContact CE1-CE1 4.02Å; Y516-F582 AromaticContact CE1-CZ 3.91Å; Y516-F582 HydrophobicContact CE1-CZ 3.91Å; K520-F582 HydrophobicContact CD-CD1 4.3Å; K520-F582 HydrophobicContact CD-CE1 4.25Å; K520-F582 HydrophobicContact CG-CE1 4.08Å; K520-F582 HydrophobicContact CG-CZ 4.32Å; D580-F582 PolarHBondContact O-N 3.48Å; D580-F582 WeakPolarHBondContact OD1-CA 3.26Å; D580-F582 PolarHBondContact OD1-N 3.12Å; F582-L584 VanDerWaalsContact C-N 3.27Å; F582-L584 PolarHBondContact O-N 2.96Å; F582-L584 VanDerWaalsContact O-N 3.15Å; F582-Q585 HydrophobicContact CB-CB 4.43Å; F582-Q585 HydrophobicContact CD1-CB 4.32Å; F582-Q585 CarbonylContact O-C 3.58Å; F582-Q585 WeakPolarHBondContact O-CA 3.45Å; F582-Q585 WeakPolarHBondContact O-CB 3.39Å; F582-Q585 PolarHBondContact O-N 2.81Å; F582-K586 HydrophobicContact CB-CG 4.38Å; F582-K586 WeakPolarHBondContact O-CG 3.37Å; F582-K586 PolarHBondContact O-N 2.82Å; F582-W628 HydrophobicContact CD1-CB 4.16Å; F582-W628 HydrophobicContact CE1-CB 3.6Å; F582-W628 HydrophobicContact CE1-CG 4.42Å; F582-W628 HydrophobicContact CZ-CB 4.37Å; F582-I723 WeakPolarHBondContact CB-O 3.3Å; F582-I723 VanDerWaalsContact CD2-CA 3.41Å; F582-I723 HydrophobicContact CD2-CB 4.38Å; F582-I723 HydrophobicContact CD2-CG2 4.09Å; F582-I723 VanDerWaalsContact CD2-O 3.32Å; F582-I723 WeakPolarHBondContact CD2-O 3.19Å; F582-I723 HydrophobicContact CE1-CG2 4.2Å; F582-I723 HydrophobicContact CE2-CB 4.11Å; F582-I723 HydrophobicContact CE2-CG2 3.55Å; F582-I723 HydrophobicContact CZ-CG2 3.62Å; F582-N724 HydrophobicContact CB-CB 4.19Å; F582-N724 HydrophobicContact CD1-CB 4.22Å; F582-N724 HydrophobicContact CG-CB 4.26Å
583	C	93.4	Very high	91.9	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-48.7	-45.5	-178	56.5	0	0	0	0	113.3	Y69 D580 K586 R587	Y69-C583 HydrophobicContact CD1-CB 3.91Å; Y69-C583 HydrophobicContact CD2-CB 3.65Å; Y69-C583 HydrophobicContact CE1-CB 3.94Å; Y69-C583 HydrophobicContact CE2-CB 3.68Å; Y69-C583 WeakPolarHBondContact CE2-O 3.33Å; Y69-C583 HydrophobicContact CG-CB 3.75Å; D580-C583 HydrophobicContact CB-CB 3.99Å; D580-C583 PolarHBondContact O-SG 3.35Å; D580-C583 PolarHBondContact OD1-N 3.1Å; C583-K586 PolarHBondContact O-N 2.78Å; C583-R587 WeakPolarHBondContact O-CB 3.41Å; C583-R587 PolarHBondContact O-N 3.39Å
584	L	91.5	Very high	91.9	Very high	81 Å²	81	26 Å²	26	42%	0.424	12%	0.121	S	C	.	.	H	α-helix	trans	-64.7	-43.5	176.2	-58.3	-178	0	0	0	112.4	E523 F582 F588	E523-L584 HydrophobicContact CG-CD1 4.4Å; E523-L584 WeakPolarHBondContact O-CD1 3.28Å; F582-L584 VanDerWaalsContact C-N 3.27Å; F582-L584 PolarHBondContact O-N 2.96Å; F582-L584 VanDerWaalsContact O-N 3.15Å; L584-F588 VanDerWaalsContact O-CB 3.3Å; L584-F588 WeakPolarHBondContact O-CB 3.49Å; L584-F588 PolarHBondContact O-N 3.32Å
585	Q	92.6	Very high	91.9	Very high	26 Å²	26	25 Å²	25	12%	0.121	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-47.9	176.7	-167.2	73.7	38.1	0	0	110.8	F582 F588 E589 W628	F582-Q585 HydrophobicContact CB-CB 4.43Å; F582-Q585 HydrophobicContact CD1-CB 4.32Å; F582-Q585 CarbonylContact O-C 3.58Å; F582-Q585 WeakPolarHBondContact O-CA 3.45Å; F582-Q585 WeakPolarHBondContact O-CB 3.39Å; F582-Q585 PolarHBondContact O-N 2.81Å; Q585-F588 WeakPolarHBondContact O-CB 3.38Å; Q585-F588 PolarHBondContact O-N 3.49Å; Q585-E589 PolarHBondContact NE2-OE1 2.9Å; Q585-E589 WeakPolarHBondContact O-CB 3.2Å; Q585-E589 WeakPolarHBondContact O-CG 3.49Å; Q585-E589 PolarHBondContact O-N 2.79Å; Q585-W628 HydrophobicContact CG-CG 4.49Å; Q585-W628 VanDerWaalsContact NE2-CZ2 3.35Å
586	K	94.3	Very high	92.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-47.8	178.1	-68.6	-166.4	-73.4	175	0	111.7	D580 F582 C583 F588 E589 N590 S691 N724 D725 E730	D580-K586 IonicContact OD1-NZ 2.76Å; D580-K586 WeakPolarHBondContact OD2-CE 3.18Å; D580-K586 IonicContact OD2-NZ 3.64Å; D580-K586 PolarHBondContact OD2-NZ 2.73Å; F582-K586 HydrophobicContact CB-CG 4.38Å; F582-K586 WeakPolarHBondContact O-CG 3.37Å; F582-K586 PolarHBondContact O-N 2.82Å; C583-K586 PolarHBondContact O-N 2.78Å; K586-F588 VanDerWaalsContact C-N 3.34Å; K586-F588 PolarHBondContact O-N 3.28Å; K586-E589 PolarHBondContact O-N 2.82Å; K586-N590 WeakPolarHBondContact O-CB 3.18Å; K586-N590 PolarHBondContact O-N 3.18Å; K586-N590 PolarHBondContact O-ND2 3.46Å; K586-N590 VanDerWaalsContact O-ND2 3.14Å; K586-S691 VanDerWaalsContact CD-OG 3.23Å; K586-S691 WeakPolarHBondContact CD-OG 3.41Å; K586-N724 HydrophobicContact CG-CB 4.13Å; K586-D725 WeakPolarHBondContact CD-O 3.43Å; K586-D725 PolarHBondContact NZ-O 2.99Å; K586-E730 IonicContact NZ-OE1 2.72Å; K586-E730 PolarHBondContact NZ-OE1 3.01Å; K586-E730 IonicContact NZ-OE2 3.42Å; K586-E730 PolarHBondContact NZ-OE2 2.95Å
587	R	91.1	Very high	92.5	Very high	62 Å²	62	21.8 Å²	21.8	23%	0.234	11%	0.113	C	C	.	.	H	α-helix	trans	-58.8	-43.8	176.1	176.4	172.6	167.8	-178.3	-0.7	112	D65 Y69 C583 R591	D65-R587 IonicContact OD1-CZ 3.53Å; D65-R587 IonicContact OD1-NE 3.57Å; D65-R587 IonicContact OD1-NH2 2.74Å; D65-R587 PolarHBondContact OD1-NH2 3Å; D65-R587 IonicContact OD2-NH2 3.06Å; D65-R587 PolarHBondContact OD2-NH2 3.34Å; Y69-R587 HydrophobicContact CE2-CB 4.16Å; C583-R587 WeakPolarHBondContact O-CB 3.41Å; C583-R587 PolarHBondContact O-N 3.39Å; R587-R591 WeakPolarHBondContact O-CB 3Å; R587-R591 PolarHBondContact O-N 3.28Å; R587-R591 VanDerWaalsContact O-N 3.08Å
588	F	90.6	Very high	92.7	Very high	77 Å²	77	25.6 Å²	25.6	34%	0.338	13%	0.134	S	C	.	.	H	α-helix	trans	-63	-50	178.6	176.3	-113.3	0	0	0	112.3	L584 Q585 K586 R591 A592 F645 A647	L584-F588 VanDerWaalsContact O-CB 3.3Å; L584-F588 WeakPolarHBondContact O-CB 3.49Å; L584-F588 PolarHBondContact O-N 3.32Å; Q585-F588 WeakPolarHBondContact O-CB 3.38Å; Q585-F588 PolarHBondContact O-N 3.49Å; K586-F588 VanDerWaalsContact C-N 3.34Å; K586-F588 PolarHBondContact O-N 3.28Å; F588-R591 PolarHBondContact O-N 3.04Å; F588-A592 PolarHBondContact O-N 3.32Å; F588-F645 WeakPolarHBondContact CE2-O 3.17Å; F588-F645 VanDerWaalsContact CZ-O 3.25Å; F588-F645 WeakPolarHBondContact CZ-O 3.05Å; F588-A647 HydrophobicContact CD1-CB 4.27Å; F588-A647 HydrophobicContact CE1-CB 3.68Å; F588-A647 HydrophobicContact CZ-CB 4.12Å
589	E	92.9	Very high	92.8	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.023	16%	0.159	C	C	.	.	H	α-helix	trans	-72	-36.9	-178.2	-68.6	176	164.6	0	0	112.2	Q585 K586 A592 A593 W628	Q585-E589 PolarHBondContact NE2-OE1 2.9Å; Q585-E589 WeakPolarHBondContact O-CB 3.2Å; Q585-E589 WeakPolarHBondContact O-CG 3.49Å; Q585-E589 PolarHBondContact O-N 2.79Å; K586-E589 PolarHBondContact O-N 2.82Å; E589-A592 PolarHBondContact O-N 2.81Å; E589-A593 VanDerWaalsContact O-CB 3.29Å; E589-A593 WeakPolarHBondContact O-CB 3.41Å; E589-A593 PolarHBondContact O-N 3.32Å; E589-W628 WeakPolarHBondContact OE1-CZ2 3.4Å; E589-W628 PolarHBondContact OE1-NE1 2.84Å; E589-W628 PolarHBondContact OE2-NE1 3.35Å
590	N	93.6	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-47.2	172	-77.4	-29.9	0	0	0	111.4	Y67 K586 A592 A593 L594 G692 I696 L734	Y67-N590 PolarHBondContact OH-ND2 2.94Å; K586-N590 WeakPolarHBondContact O-CB 3.18Å; K586-N590 PolarHBondContact O-N 3.18Å; K586-N590 PolarHBondContact O-ND2 3.46Å; K586-N590 VanDerWaalsContact O-ND2 3.14Å; N590-A592 VanDerWaalsContact C-N 3.35Å; N590-A592 PolarHBondContact O-N 3.14Å; N590-A593 PolarHBondContact O-N 2.87Å; N590-L594 WeakPolarHBondContact O-CB 3.45Å; N590-L594 VanDerWaalsContact O-CG 3.27Å; N590-L594 WeakPolarHBondContact O-CG 3.22Å; N590-L594 PolarHBondContact O-N 3.15Å; N590-G692 WeakPolarHBondContact OD1-CA 3.3Å; N590-G692 PolarHBondContact OD1-N 3.3Å; N590-I696 HydrophobicContact CB-CD1 4.2Å; N590-L734 HydrophobicContact CB-CD2 4.04Å
591	R	90.2	Very high	93.2	Very high	90 Å²	90	31.2 Å²	31.2	34%	0.34	16%	0.161	S	C	.	.	H	α-helix	trans	-63.6	-38.8	177	179	173.7	162.5	-152	-3.3	112.1	P63 F64 R587 F588 S595	P63-R591 WeakPolarHBondContact O-CG 3.3Å; P63-R591 PolarHBondContact O-NE 3.24Å; F64-R591 HydrophobicContact CD1-CG 4.26Å; F64-R591 HydrophobicContact CD2-CG 4.25Å; F64-R591 HydrophobicContact CE1-CG 3.94Å; F64-R591 HydrophobicContact CE2-CG 3.93Å; F64-R591 HydrophobicContact CG-CG 4.42Å; F64-R591 HydrophobicContact CZ-CG 3.78Å; R587-R591 WeakPolarHBondContact O-CB 3Å; R587-R591 PolarHBondContact O-N 3.28Å; R587-R591 VanDerWaalsContact O-N 3.08Å; F588-R591 PolarHBondContact O-N 3.04Å; R591-S595 WeakPolarHBondContact O-CB 3.11Å; R591-S595 PolarHBondContact O-N 2.79Å; R591-S595 PolarHBondContact O-OG 3.18Å
592	A	90.9	Very high	93.3	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-42.1	176.2	0	0	0	0	0	112.5	F588 E589 N590 S595 F645 A647	F588-A592 PolarHBondContact O-N 3.32Å; E589-A592 PolarHBondContact O-N 2.81Å; N590-A592 VanDerWaalsContact C-N 3.35Å; N590-A592 PolarHBondContact O-N 3.14Å; A592-S595 PolarHBondContact O-N 3.29Å; A592-F645 HydrophobicContact CB-CB 4.32Å; A592-F645 HydrophobicContact CB-CD2 3.98Å; A592-A647 HydrophobicContact CB-CB 3.69Å
593	A	94.5	Very high	93.4	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-72.2	-42	179.6	0	0	0	0	0	113	E589 N590 S595 A596 L597 A693 I696 L697	E589-A593 VanDerWaalsContact O-CB 3.29Å; E589-A593 WeakPolarHBondContact O-CB 3.41Å; E589-A593 PolarHBondContact O-N 3.32Å; N590-A593 PolarHBondContact O-N 2.87Å; A593-S595 PolarHBondContact O-N 3.1Å; A593-A596 PolarHBondContact O-N 2.83Å; A593-L597 PolarHBondContact O-N 2.79Å; A593-L597 VanDerWaalsContact O-N 3.09Å; A593-A693 HydrophobicContact CB-CB 4.41Å; A593-I696 HydrophobicContact CB-CB 3.89Å; A593-I696 HydrophobicContact CB-CD1 3.87Å; A593-I696 HydrophobicContact CB-CG2 3.94Å; A593-L697 HydrophobicContact CB-CD1 4.21Å; A593-L697 HydrophobicContact CB-CG 4.21Å
594	L	92.5	Very high	93.6	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-52.7	-40.8	171.4	-77.5	171.9	0	0	0	111.4	P63 N590 A596 L597 I696 L734 I738 F741	P63-L594 HydrophobicContact CG-CB 4.18Å; P63-L594 HydrophobicContact CG-CD1 4.44Å; N590-L594 WeakPolarHBondContact O-CB 3.45Å; N590-L594 VanDerWaalsContact O-CG 3.27Å; N590-L594 WeakPolarHBondContact O-CG 3.22Å; N590-L594 PolarHBondContact O-N 3.15Å; L594-A596 PolarHBondContact O-N 3Å; L594-A596 VanDerWaalsContact O-N 3.17Å; L594-L597 PolarHBondContact O-N 3.46Å; L594-I696 HydrophobicContact CD2-CD1 4.35Å; L594-I696 HydrophobicContact CG-CD1 4.05Å; L594-L734 HydrophobicContact CD1-CD2 4.06Å; L594-I738 HydrophobicContact CD2-CD1 3.72Å; L594-I738 HydrophobicContact CD2-CG1 3.46Å; L594-I738 VanDerWaalsContact CD2-CG1 3.46Å; L594-F741 HydrophobicContact CD2-CZ 4.4Å
595	S	89.2	Confident	93.8	Very high	26 Å²	26	36.5 Å²	36.5	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-74.2	3.9	179.8	-57.6	0	0	0	0	115.1	R591 A592 A593 K644	R591-S595 WeakPolarHBondContact O-CB 3.11Å; R591-S595 PolarHBondContact O-N 2.79Å; R591-S595 PolarHBondContact O-OG 3.18Å; A592-S595 PolarHBondContact O-N 3.29Å; A593-S595 PolarHBondContact O-N 3.1Å; S595-K644 PolarHBondContact O-NZ 3.1Å
596	A	93	Very high	94	Very high	30 Å²	30	42.2 Å²	42.2	25%	0.248	22%	0.222	C	C	.	.	H	α-helix	trans	-127.7	-8.1	175.7	0	0	0	0	0	113.2	A593 L594 T598 D599 R600 L697	A593-A596 PolarHBondContact O-N 2.83Å; L594-A596 PolarHBondContact O-N 3Å; L594-A596 VanDerWaalsContact O-N 3.17Å; A596-T598 PolarHBondContact O-N 3.05Å; A596-D599 PolarHBondContact O-N 3.09Å; A596-R600 PolarHBondContact O-N 2.86Å; A596-L697 HydrophobicContact CB-CD1 4.22Å; A596-L697 HydrophobicContact CB-CD2 4.4Å
597	L	95	Very high	94.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-48.3	-176.3	176.4	58.1	0	0	0	112.5	A593 L594 D599 R600 L601 I696 L697 P701 I738 F741	A593-L597 PolarHBondContact O-N 2.79Å; A593-L597 VanDerWaalsContact O-N 3.09Å; L594-L597 PolarHBondContact O-N 3.46Å; L597-D599 VanDerWaalsContact C-N 3.3Å; L597-D599 PolarHBondContact O-N 3.42Å; L597-R600 PolarHBondContact O-N 2.74Å; L597-R600 VanDerWaalsContact O-N 3.17Å; L597-L601 HydrophobicContact CD1-CD1 3.81Å; L597-L601 HydrophobicContact CD1-CD2 4.47Å; L597-L601 HydrophobicContact CD1-CG 3.92Å; L597-L601 HydrophobicContact CG-CD1 3.91Å; L597-L601 HydrophobicContact CG-CG 4.42Å; L597-L601 WeakPolarHBondContact O-CG 3.2Å; L597-L601 PolarHBondContact O-N 3.43Å; L597-I696 HydrophobicContact CB-CG2 4.1Å; L597-I696 HydrophobicContact CD1-CG2 4.3Å; L597-I696 WeakPolarHBondContact CD1-O 3.44Å; L597-I696 HydrophobicContact CD2-CG2 4.26Å; L597-I696 HydrophobicContact CG-CG2 4.45Å; L597-L697 HydrophobicContact CB-CD2 4.22Å; L597-L697 HydrophobicContact CD1-CD2 4.36Å; L597-P701 HydrophobicContact CD1-CG 4.4Å; L597-I738 HydrophobicContact CD2-CD1 3.89Å; L597-I738 HydrophobicContact CD2-CG1 3.93Å; L597-I738 HydrophobicContact CD2-CG2 3.81Å; L597-F741 HydrophobicContact CD2-CE2 4.06Å; L597-F741 HydrophobicContact CD2-CZ 4.23Å
598	T	94.1	Very high	94.4	Very high	90 Å²	90	46.5 Å²	46.5	55%	0.552	25%	0.249	S	C	*	.	H	α-helix	trans	-60.9	-38.6	-179.5	-45.5	0	0	0	0	112.2	A596 S602	A596-T598 PolarHBondContact O-N 3.05Å; T598-S602 WeakPolarHBondContact O-CB 3.35Å; T598-S602 PolarHBondContact O-N 2.76Å
599	D	94	Very high	94.6	Very high	97 Å²	97	46.9 Å²	46.9	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-68.7	-42.8	176.3	-68.4	-36.6	0	0	0	110.7	A596 L597 L601 S602 E603	A596-D599 PolarHBondContact O-N 3.09Å; L597-D599 VanDerWaalsContact C-N 3.3Å; L597-D599 PolarHBondContact O-N 3.42Å; D599-L601 PolarHBondContact O-N 2.72Å; D599-S602 CarbonylContact O-C 3.58Å; D599-S602 WeakPolarHBondContact O-CA 3.24Å; D599-S602 WeakPolarHBondContact O-CB 3.45Å; D599-S602 PolarHBondContact O-N 3.39Å; D599-E603 WeakPolarHBondContact O-CG 3.35Å; D599-E603 PolarHBondContact O-N 2.79Å
600	R	96.1	Very high	94.7	Very high	9 Å²	9	49.5 Å²	49.5	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-41.2	177.1	-175.9	58.6	-175.7	156.4	1.9	112.9	A596 L597 E603 L604 S615 L697	A596-R600 PolarHBondContact O-N 2.86Å; L597-R600 PolarHBondContact O-N 2.74Å; L597-R600 VanDerWaalsContact O-N 3.17Å; R600-E603 IonicContact NH1-OE2 2.8Å; R600-E603 PolarHBondContact NH1-OE2 2.85Å; R600-E603 WeakPolarHBondContact O-CB 3.32Å; R600-E603 PolarHBondContact O-N 3.44Å; R600-L604 HydrophobicContact CG-CD1 4.22Å; R600-L604 WeakPolarHBondContact O-CG 3.24Å; R600-L604 PolarHBondContact O-N 2.95Å; R600-S615 PolarHBondContact NH2-O 3Å; R600-S615 PolarHBondContact NH2-OG 3.25Å; R600-L697 HydrophobicContact CB-CD2 4.03Å; R600-L697 HydrophobicContact CG-CD2 4.38Å
601	L	97.1	Very high	94.8	Very high	28 Å²	28	53.7 Å²	53.7	15%	0.147	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-37.9	173.7	-66	172	0	0	0	111.5	L597 D599 E603 L604 S605 P701 M704	L597-L601 HydrophobicContact CD1-CD1 3.81Å; L597-L601 HydrophobicContact CD1-CD2 4.47Å; L597-L601 HydrophobicContact CD1-CG 3.92Å; L597-L601 HydrophobicContact CG-CD1 3.91Å; L597-L601 HydrophobicContact CG-CG 4.42Å; L597-L601 WeakPolarHBondContact O-CG 3.2Å; L597-L601 PolarHBondContact O-N 3.43Å; D599-L601 PolarHBondContact O-N 2.72Å; L601-E603 VanDerWaalsContact C-N 3.32Å; L601-E603 PolarHBondContact O-N 2.63Å; L601-L604 PolarHBondContact O-N 2.84Å; L601-S605 WeakPolarHBondContact O-CB 3.3Å; L601-S605 PolarHBondContact O-N 2.95Å; L601-S605 PolarHBondContact O-OG 3.23Å; L601-P701 HydrophobicContact CD2-CB 4.19Å; L601-P701 HydrophobicContact CD2-CG 4.23Å; L601-M704 HydrophobicContact CD1-CE 3.89Å; L601-M704 HydrophobicContact CD1-SD 4.24Å; L601-M704 HydrophobicContact CD2-CE 3.89Å; L601-M704 HydrophobicContact CD2-SD 3.85Å
602	S	97	Very high	95.1	Very high	50 Å²	50	52.3 Å²	52.3	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-35	172.8	-175.8	0	0	0	0	112.1	T598 D599 S605 K606	T598-S602 WeakPolarHBondContact O-CB 3.35Å; T598-S602 PolarHBondContact O-N 2.76Å; D599-S602 CarbonylContact O-C 3.58Å; D599-S602 WeakPolarHBondContact O-CA 3.24Å; D599-S602 WeakPolarHBondContact O-CB 3.45Å; D599-S602 PolarHBondContact O-N 3.39Å; S602-S605 PolarHBondContact O-OG 2.65Å; S602-S605 VanDerWaalsContact O-OG 3.06Å; S602-K606 WeakPolarHBondContact O-CD 3.32Å; S602-K606 WeakPolarHBondContact O-CE 3.41Å; S602-K606 VanDerWaalsContact O-CG 3.32Å; S602-K606 WeakPolarHBondContact O-CG 3.19Å; S602-K606 PolarHBondContact O-NZ 2.7Å; S602-K606 PolarHBondContact OG-NZ 2.94Å
603	E	96.9	Very high	95.4	Very high	64 Å²	64	52.3 Å²	52.3	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-68	-53.8	171.9	-72.1	167.5	180	0	0	112.2	D599 R600 L601 S605 K606 H651	D599-E603 WeakPolarHBondContact O-CG 3.35Å; D599-E603 PolarHBondContact O-N 2.79Å; R600-E603 IonicContact NH1-OE2 2.8Å; R600-E603 PolarHBondContact NH1-OE2 2.85Å; R600-E603 WeakPolarHBondContact O-CB 3.32Å; R600-E603 PolarHBondContact O-N 3.44Å; L601-E603 VanDerWaalsContact C-N 3.32Å; L601-E603 PolarHBondContact O-N 2.63Å; E603-S605 PolarHBondContact O-N 3.39Å; E603-K606 WeakPolarHBondContact O-CB 3.41Å; E603-K606 PolarHBondContact O-N 3.01Å; E603-H651 IonicContact OE1-CD2 3.23Å; E603-H651 IonicContact OE1-CE1 3.85Å; E603-H651 IonicContact OE1-NE2 3.17Å; E603-H651 PolarHBondContact OE1-NE2 3.42Å; E603-H651 IonicContact OE2-CD2 3.48Å; E603-H651 IonicContact OE2-CE1 3.1Å; E603-H651 IonicContact OE2-NE2 3.72Å; E603-H651 PolarHBondContact OE2-NE2 3.45Å
604	L	97.7	Very high	95.5	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-37.4	-176.4	-72.1	165.8	0	0	0	112	R600 L601 K606 L607 R612 L616 P701	R600-L604 HydrophobicContact CG-CD1 4.22Å; R600-L604 WeakPolarHBondContact O-CG 3.24Å; R600-L604 PolarHBondContact O-N 2.95Å; L601-L604 PolarHBondContact O-N 2.84Å; L604-K606 PolarHBondContact O-N 2.89Å; L604-L607 HydrophobicContact CD2-CD1 4.46Å; L604-L607 PolarHBondContact O-N 2.9Å; L604-R612 HydrophobicContact CB-CG 4.31Å; L604-R612 HydrophobicContact CD2-CG 4.2Å; L604-R612 WeakPolarHBondContact O-CD 3.3Å; L604-L616 HydrophobicContact CD1-CD2 3.75Å; L604-L616 HydrophobicContact CD2-CD2 4.04Å; L604-L616 HydrophobicContact CD2-CG 4.19Å; L604-P701 HydrophobicContact CD1-CB 3.73Å; L604-P701 HydrophobicContact CD1-CG 4.49Å
605	S	96.4	Very high	95.7	Very high	85 Å²	85	54.3 Å²	54.3	59%	0.594	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.5	177	56.3	0	0	0	0	115.1	L601 S602 E603	L601-S605 WeakPolarHBondContact O-CB 3.3Å; L601-S605 PolarHBondContact O-N 2.95Å; L601-S605 PolarHBondContact O-OG 3.23Å; S602-S605 PolarHBondContact O-OG 2.65Å; S602-S605 VanDerWaalsContact O-OG 3.06Å; E603-S605 PolarHBondContact O-N 3.39Å
606	K	97.6	Very high	96.1	Very high	146 Å²	146	53.4 Å²	53.4	64%	0.635	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-13	176.2	-64	165.9	-168.9	117.9	0	113.3	S602 E603 L604	S602-K606 WeakPolarHBondContact O-CD 3.32Å; S602-K606 WeakPolarHBondContact O-CE 3.41Å; S602-K606 VanDerWaalsContact O-CG 3.32Å; S602-K606 WeakPolarHBondContact O-CG 3.19Å; S602-K606 PolarHBondContact O-NZ 2.7Å; S602-K606 PolarHBondContact OG-NZ 2.94Å; E603-K606 WeakPolarHBondContact O-CB 3.41Å; E603-K606 PolarHBondContact O-N 3.01Å; L604-K606 PolarHBondContact O-N 2.89Å
607	L	97.6	Very high	96.3	Very high	64 Å²	64	52 Å²	52	34%	0.335	28%	0.277	S	S	.	.	S	Bend	trans	-84.6	147.1	179.5	-60	176.7	0	0	0	111.1	L604 N611 R612	L604-L607 HydrophobicContact CD2-CD1 4.46Å; L604-L607 PolarHBondContact O-N 2.9Å; L607-N611 HydrophobicContact CB-CB 4.43Å; L607-R612 HydrophobicContact CB-CB 3.96Å
608	D	96.5	Very high	96.4	Very high	88 Å²	88	55 Å²	55	47%	0.471	29%	0.29	S	S	.	.			trans	-63.1	162.9	163.6	68.5	78.6	0	0	0	110.9	S610 N611 R612	D608-S610 VanDerWaalsContact C-N 3.28Å; D608-S610 PolarHBondContact O-N 3.3Å; D608-S610 WeakPolarHBondContact OD1-CB 3.41Å; D608-S610 PolarHBondContact OD1-N 3.38Å; D608-N611 PolarHBondContact O-N 3.45Å; D608-N611 PolarHBondContact OD1-N 2.9Å; D608-N611 PolarHBondContact OD2-ND2 3.07Å; D608-R612 VanDerWaalsContact O-CB 3.24Å; D608-R612 WeakPolarHBondContact O-CB 3.26Å; D608-R612 PolarHBondContact O-N 3.47Å
609	W	94.5	Very high	96.6	Very high	84 Å²	84	50.7 Å²	50.7	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-55.2	-39.8	-173.4	-177.7	77.9	0	0	0	113.8	R612 Q613 I671 I674 E705	W609-R612 PolarHBondContact O-N 3.36Å; W609-Q613 HydrophobicContact CD2-CG 3.99Å; W609-Q613 VanDerWaalsContact CE2-CD 3.48Å; W609-Q613 HydrophobicContact CE3-CG 4.23Å; W609-Q613 HydrophobicContact CH2-CG 3.79Å; W609-Q613 HydrophobicContact CZ2-CG 3.5Å; W609-Q613 VanDerWaalsContact CZ2-CG 3.5Å; W609-Q613 HydrophobicContact CZ3-CG 4.14Å; W609-Q613 VanDerWaalsContact O-CG 3.24Å; W609-Q613 WeakPolarHBondContact O-CG 3.45Å; W609-Q613 PolarHBondContact O-N 3.46Å; W609-Q613 PolarHBondContact O-NE2 3.49Å; W609-I671 HydrophobicContact CH2-CD1 3.52Å; W609-I671 HydrophobicContact CH2-CG1 4.29Å; W609-I671 HydrophobicContact CZ2-CD1 4.38Å; W609-I671 HydrophobicContact CZ3-CD1 3.68Å; W609-I671 HydrophobicContact CZ3-CG1 4.23Å; W609-I674 HydrophobicContact CH2-CG1 4.19Å; W609-I674 HydrophobicContact CZ2-CD1 4.26Å; W609-I674 HydrophobicContact CZ2-CG1 4.24Å; W609-E705 PolarHBondContact NE1-OE1 3.37Å; W609-E705 VanDerWaalsContact NE1-OE1 3.14Å
610	S	93.6	Very high	96.8	Very high	61 Å²	61	46.2 Å²	46.2	43%	0.427	24%	0.24	S	C	.	.	H	α-helix	trans	-73.7	-45.4	-175.3	-171.8	0	0	0	0	111.6	D608 R612 Q613 L614	D608-S610 VanDerWaalsContact C-N 3.28Å; D608-S610 PolarHBondContact O-N 3.3Å; D608-S610 WeakPolarHBondContact OD1-CB 3.41Å; D608-S610 PolarHBondContact OD1-N 3.38Å; S610-R612 VanDerWaalsContact C-N 3.3Å; S610-Q613 PolarHBondContact O-N 2.97Å; S610-L614 PolarHBondContact O-N 3.45Å
611	N	96.3	Very high	96.8	Very high	87 Å²	87	45.8 Å²	45.8	47%	0.465	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-31.4	175	-74.5	-46.3	0	0	0	111.7	L607 D608 L614 S615	L607-N611 HydrophobicContact CB-CB 4.43Å; D608-N611 PolarHBondContact O-N 3.45Å; D608-N611 PolarHBondContact OD1-N 2.9Å; D608-N611 PolarHBondContact OD2-ND2 3.07Å; N611-L614 PolarHBondContact O-N 3.48Å; N611-S615 PolarHBondContact O-N 2.88Å
612	R	97.2	Very high	96.7	Very high	61 Å²	61	44.4 Å²	44.4	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-44.5	171.8	-165	170.8	75.2	-139.8	7.3	112	L604 L607 D608 W609 S610 L614 S615 L616 E705	L604-R612 HydrophobicContact CB-CG 4.31Å; L604-R612 HydrophobicContact CD2-CG 4.2Å; L604-R612 WeakPolarHBondContact O-CD 3.3Å; L607-R612 HydrophobicContact CB-CB 3.96Å; D608-R612 VanDerWaalsContact O-CB 3.24Å; D608-R612 WeakPolarHBondContact O-CB 3.26Å; D608-R612 PolarHBondContact O-N 3.47Å; W609-R612 PolarHBondContact O-N 3.36Å; S610-R612 VanDerWaalsContact C-N 3.3Å; R612-L614 VanDerWaalsContact C-N 3.27Å; R612-L614 PolarHBondContact O-N 3.2Å; R612-S615 PolarHBondContact O-N 2.85Å; R612-L616 HydrophobicContact CG-CD1 4.31Å; R612-L616 HydrophobicContact CG-CG 4.49Å; R612-L616 VanDerWaalsContact O-CG 3.26Å; R612-L616 WeakPolarHBondContact O-CG 3.27Å; R612-L616 PolarHBondContact O-N 2.89Å; R612-E705 IonicContact CZ-OE1 3.37Å; R612-E705 IonicContact CZ-OE2 3.48Å; R612-E705 IonicContact NE-OE1 2.75Å; R612-E705 IonicContact NE-OE2 3.28Å; R612-E705 PolarHBondContact NE-OE2 3.09Å; R612-E705 VanDerWaalsContact NH2-CD 3.29Å; R612-E705 IonicContact NH2-OE1 2.96Å; R612-E705 PolarHBondContact NH2-OE1 3.18Å; R612-E705 IonicContact NH2-OE2 3.35Å; R612-E705 PolarHBondContact NH2-OE2 3.41Å
613	Q	97	Very high	96.6	Very high	6 Å²	6	42 Å²	42	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-40.9	176.5	-62.3	-32.2	-90.6	0	0	111.2	W609 S610 L616 I617 I671 I674 E705	W609-Q613 HydrophobicContact CD2-CG 3.99Å; W609-Q613 VanDerWaalsContact CE2-CD 3.48Å; W609-Q613 HydrophobicContact CE3-CG 4.23Å; W609-Q613 HydrophobicContact CH2-CG 3.79Å; W609-Q613 HydrophobicContact CZ2-CG 3.5Å; W609-Q613 VanDerWaalsContact CZ2-CG 3.5Å; W609-Q613 HydrophobicContact CZ3-CG 4.14Å; W609-Q613 VanDerWaalsContact O-CG 3.24Å; W609-Q613 WeakPolarHBondContact O-CG 3.45Å; W609-Q613 PolarHBondContact O-N 3.46Å; W609-Q613 PolarHBondContact O-NE2 3.49Å; S610-Q613 PolarHBondContact O-N 2.97Å; Q613-L616 PolarHBondContact O-N 2.98Å; Q613-I617 WeakPolarHBondContact O-CG1 3.33Å; Q613-I617 PolarHBondContact O-N 3.23Å; Q613-I671 HydrophobicContact CB-CD1 3.49Å; Q613-I671 VanDerWaalsContact CB-CD1 3.49Å; Q613-I671 HydrophobicContact CG-CD1 3.41Å; Q613-I671 VanDerWaalsContact CG-CD1 3.41Å; Q613-I674 HydrophobicContact CG-CD1 4.16Å; Q613-E705 VanDerWaalsContact NE2-CD 3.33Å; Q613-E705 PolarHBondContact NE2-OE1 2.91Å
614	L	96.6	Very high	96.5	Very high	42 Å²	42	39 Å²	39	22%	0.22	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-47.7	178.3	-175.7	59.3	0	0	0	111.1	S610 N611 R612 L616 I617 E618 W662 Y667	S610-L614 PolarHBondContact O-N 3.45Å; N611-L614 PolarHBondContact O-N 3.48Å; R612-L614 VanDerWaalsContact C-N 3.27Å; R612-L614 PolarHBondContact O-N 3.2Å; L614-L616 PolarHBondContact O-N 3.45Å; L614-I617 WeakPolarHBondContact O-CA 3.3Å; L614-I617 PolarHBondContact O-N 3.03Å; L614-E618 HydrophobicContact CD1-CG 4.39Å; L614-E618 HydrophobicContact CG-CG 4.33Å; L614-E618 WeakPolarHBondContact O-CG 3.39Å; L614-E618 PolarHBondContact O-N 3.41Å; L614-W662 HydrophobicContact CD1-CH2 4.26Å; L614-Y667 WeakPolarHBondContact CA-OH 3.42Å; L614-Y667 HydrophobicContact CB-CE2 4.45Å; L614-Y667 HydrophobicContact CD1-CD2 4.21Å; L614-Y667 HydrophobicContact CD1-CE1 4.36Å; L614-Y667 HydrophobicContact CD1-CE2 3.83Å; L614-Y667 PolarHBondContact N-OH 3.08Å; L614-Y667 VanDerWaalsContact N-OH 3.09Å
615	S	96.8	Very high	96.3	Very high	14 Å²	14	38.8 Å²	38.8	10%	0.098	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-21.1	-179.6	-156	0	0	0	0	114	R600 N611 R612 E618 G619	R600-S615 PolarHBondContact NH2-O 3Å; R600-S615 PolarHBondContact NH2-OG 3.25Å; N611-S615 PolarHBondContact O-N 2.88Å; R612-S615 PolarHBondContact O-N 2.85Å; S615-E618 WeakPolarHBondContact CA-OE2 3.21Å; S615-G619 PolarHBondContact O-N 2.86Å
616	L	97.7	Very high	96.1	Very high	8 Å²	8	35 Å²	35	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-69.9	-41.7	167.4	-72.3	170.7	0	0	0	111.7	L604 R612 Q613 L614 G619 L620 P701 E705	L604-L616 HydrophobicContact CD1-CD2 3.75Å; L604-L616 HydrophobicContact CD2-CD2 4.04Å; L604-L616 HydrophobicContact CD2-CG 4.19Å; R612-L616 HydrophobicContact CG-CD1 4.31Å; R612-L616 HydrophobicContact CG-CG 4.49Å; R612-L616 VanDerWaalsContact O-CG 3.26Å; R612-L616 WeakPolarHBondContact O-CG 3.27Å; R612-L616 PolarHBondContact O-N 2.89Å; Q613-L616 PolarHBondContact O-N 2.98Å; L614-L616 PolarHBondContact O-N 3.45Å; L616-G619 PolarHBondContact O-N 3.39Å; L616-L620 PolarHBondContact O-N 2.98Å; L616-P701 HydrophobicContact CD2-CB 3.78Å; L616-P701 WeakPolarHBondContact CD2-O 3.25Å; L616-E705 HydrophobicContact CD1-CB 3.61Å; L616-E705 HydrophobicContact CD1-CG 3.78Å
617	I	97.8	Very high	95.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-69.6	-41.9	175.2	-61	-42.3	0	0	0	111.4	Q613 L614 G619 L620 L621 W662 Y667 F702 I811 F832	Q613-I617 WeakPolarHBondContact O-CG1 3.33Å; Q613-I617 PolarHBondContact O-N 3.23Å; L614-I617 WeakPolarHBondContact O-CA 3.3Å; L614-I617 PolarHBondContact O-N 3.03Å; I617-G619 PolarHBondContact O-N 3.45Å; I617-L620 HydrophobicContact CD1-CD1 3.92Å; I617-L620 WeakPolarHBondContact O-CB 3.2Å; I617-L620 PolarHBondContact O-N 2.84Å; I617-L621 HydrophobicContact CG2-CD1 4.2Å; I617-L621 WeakPolarHBondContact O-CG 3.31Å; I617-L621 PolarHBondContact O-N 3.42Å; I617-W662 HydrophobicContact CG2-CH2 3.56Å; I617-W662 HydrophobicContact CG2-CZ3 4Å; I617-Y667 HydrophobicContact CB-CE2 4.33Å; I617-Y667 HydrophobicContact CG1-CD2 4.16Å; I617-Y667 HydrophobicContact CG1-CE2 3.84Å; I617-F702 HydrophobicContact CD1-CD2 3.96Å; I617-F702 HydrophobicContact CD1-CE2 3.72Å; I617-I811 HydrophobicContact CG2-CD1 3.89Å; I617-F832 HydrophobicContact CB-CE2 4.28Å; I617-F832 HydrophobicContact CD1-CE2 3.78Å; I617-F832 HydrophobicContact CD1-CZ 4.29Å; I617-F832 HydrophobicContact CG1-CE2 3.83Å; I617-F832 HydrophobicContact CG1-CZ 4.29Å; I617-F832 HydrophobicContact CG2-CD2 3.47Å; I617-F832 VanDerWaalsContact CG2-CD2 3.47Å; I617-F832 HydrophobicContact CG2-CE2 3.39Å; I617-F832 HydrophobicContact CG2-CZ 4.41Å
618	E	97.1	Very high	95.3	Very high	61 Å²	61	26.6 Å²	26.6	29%	0.285	13%	0.133	S	C	.	.	H	α-helix	trans	-61	-36.2	172	-65.3	167.8	154.8	0	0	111	L614 S615 L621 A622 L654	L614-E618 HydrophobicContact CD1-CG 4.39Å; L614-E618 HydrophobicContact CG-CG 4.33Å; L614-E618 WeakPolarHBondContact O-CG 3.39Å; L614-E618 PolarHBondContact O-N 3.41Å; S615-E618 WeakPolarHBondContact CA-OE2 3.21Å; E618-L621 PolarHBondContact O-N 2.89Å; E618-A622 VanDerWaalsContact O-CB 3.32Å; E618-A622 WeakPolarHBondContact O-CB 3.26Å; E618-A622 PolarHBondContact O-N 3.42Å; E618-L654 HydrophobicContact CB-CD1 3.76Å; E618-L654 WeakPolarHBondContact O-CD1 3.28Å
619	G	97.3	Very high	94.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-43.2	173.5	0	0	0	0	0	113.7	S615 L616 I617 L621 G623 G698	S615-G619 PolarHBondContact O-N 2.86Å; L616-G619 PolarHBondContact O-N 3.39Å; I617-G619 PolarHBondContact O-N 3.45Å; G619-L621 VanDerWaalsContact C-N 3.35Å; G619-G623 PolarHBondContact O-N 2.83Å; G619-G698 WeakPolarHBondContact O-CA 3.29Å
620	L	97.1	Very high	94.4	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-42.5	171.5	-71.9	168.5	0	0	0	111.8	L616 I617 G623 N624 V699 F702 E790 I811	L616-L620 PolarHBondContact O-N 2.98Å; I617-L620 HydrophobicContact CD1-CD1 3.92Å; I617-L620 WeakPolarHBondContact O-CB 3.2Å; I617-L620 PolarHBondContact O-N 2.84Å; L620-G623 PolarHBondContact O-N 3.41Å; L620-N624 PolarHBondContact O-N 2.94Å; L620-V699 HydrophobicContact CD2-CB 4.15Å; L620-V699 HydrophobicContact CD2-CG2 3.77Å; L620-F702 HydrophobicContact CD1-CB 4.19Å; L620-F702 HydrophobicContact CD1-CD1 4.27Å; L620-F702 HydrophobicContact CD1-CD2 3.65Å; L620-F702 HydrophobicContact CD1-CE2 4.01Å; L620-F702 HydrophobicContact CD1-CG 3.79Å; L620-F702 HydrophobicContact CD1-CZ 4.47Å; L620-F702 HydrophobicContact CD2-CB 4.22Å; L620-F702 HydrophobicContact CD2-CG 4.43Å; L620-F702 HydrophobicContact CG-CB 4.22Å; L620-F702 HydrophobicContact CG-CG 4.36Å; L620-E790 HydrophobicContact CD2-CG 4.48Å; L620-I811 HydrophobicContact CB-CD1 3.68Å; L620-I811 HydrophobicContact CD1-CD1 3.74Å; L620-I811 HydrophobicContact CG-CD1 4.37Å
621	L	96.8	Very high	94.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-41.8	-178.8	-66.7	168.8	0	0	0	112.2	I617 E618 G619 G623 N624 M625 V657 W662 I811 V813 V830	I617-L621 HydrophobicContact CG2-CD1 4.2Å; I617-L621 WeakPolarHBondContact O-CG 3.31Å; I617-L621 PolarHBondContact O-N 3.42Å; E618-L621 PolarHBondContact O-N 2.89Å; G619-L621 VanDerWaalsContact C-N 3.35Å; L621-G623 VanDerWaalsContact C-N 3.34Å; L621-N624 PolarHBondContact O-N 3.08Å; L621-M625 PolarHBondContact O-N 2.9Å; L621-V657 HydrophobicContact CB-CG1 3.73Å; L621-V657 HydrophobicContact CB-CG2 4.13Å; L621-V657 HydrophobicContact CD1-CG1 3.88Å; L621-V657 HydrophobicContact CG-CG1 4.46Å; L621-W662 HydrophobicContact CD1-CH2 4Å; L621-W662 HydrophobicContact CD1-CZ2 3.62Å; L621-I811 HydrophobicContact CD2-CD1 4.03Å; L621-I811 HydrophobicContact CD2-CG1 3.62Å; L621-I811 HydrophobicContact CG-CD1 4.1Å; L621-I811 HydrophobicContact CG-CG1 4.26Å; L621-V813 HydrophobicContact CB-CG2 4.06Å; L621-V813 HydrophobicContact CD2-CG2 3.91Å; L621-V813 VanDerWaalsContact O-CG2 3.3Å; L621-V813 WeakPolarHBondContact O-CG2 3.4Å; L621-V830 HydrophobicContact CD1-CG1 3.7Å; L621-V830 HydrophobicContact CD1-CG2 4.06Å; L621-V830 HydrophobicContact CD2-CB 4.49Å; L621-V830 HydrophobicContact CD2-CG1 3.63Å; L621-V830 HydrophobicContact CD2-CG2 4.18Å; L621-V830 HydrophobicContact CG-CG1 4.33Å
622	A	95.4	Very high	94	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-40.3	173.1	0	0	0	0	0	111.3	E618 M625 F626 F650 I653 L654 V657	E618-A622 VanDerWaalsContact O-CB 3.32Å; E618-A622 WeakPolarHBondContact O-CB 3.26Å; E618-A622 PolarHBondContact O-N 3.42Å; A622-M625 WeakPolarHBondContact O-CB 3.43Å; A622-M625 PolarHBondContact O-N 3.44Å; A622-F626 WeakPolarHBondContact O-CD2 3.38Å; A622-F650 HydrophobicContact CB-CD2 4.48Å; A622-F650 HydrophobicContact CB-CE2 3.89Å; A622-F650 HydrophobicContact CB-CZ 4.16Å; A622-I653 HydrophobicContact CB-CG2 4.19Å; A622-I653 WeakPolarHBondContact O-CG2 3.38Å; A622-L654 HydrophobicContact CB-CB 4.22Å; A622-L654 HydrophobicContact CB-CD1 3.74Å; A622-V657 HydrophobicContact CB-CG2 3.76Å
623	G	94.7	Very high	93.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-53.1	-54.9	171.5	0	0	0	0	0	111.7	G619 L620 L621 M625 F626 D694	G619-G623 PolarHBondContact O-N 2.83Å; L620-G623 PolarHBondContact O-N 3.41Å; L621-G623 VanDerWaalsContact C-N 3.34Å; G623-M625 PolarHBondContact O-N 3.47Å; G623-F626 WeakPolarHBondContact O-CB 3.5Å; G623-F626 WeakPolarHBondContact O-CD2 3.21Å; G623-F626 PolarHBondContact O-N 2.99Å; G623-D694 WeakPolarHBondContact CA-OD1 3.49Å; G623-D694 WeakPolarHBondContact O-CB 3.39Å
624	N	94.6	Very high	93.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-7.8	-178.3	-163.7	-115.4	0	0	0	114.5	L620 L621 F626 D689 N690 D694 E790 G791 K815	L620-N624 PolarHBondContact O-N 2.94Å; L621-N624 PolarHBondContact O-N 3.08Å; N624-F626 VanDerWaalsContact C-N 3.29Å; N624-D689 PolarHBondContact ND2-OD2 3.06Å; N624-N690 PolarHBondContact ND2-ND2 3.37Å; N624-N690 VanDerWaalsContact ND2-ND2 3.18Å; N624-D694 PolarHBondContact N-OD1 3.44Å; N624-E790 PolarHBondContact ND2-OE1 2.83Å; N624-G791 WeakPolarHBondContact ND2-CA 3.49Å; N624-K815 WeakPolarHBondContact O-CD 3.44Å; N624-K815 VanDerWaalsContact O-CE 3.26Å; N624-K815 WeakPolarHBondContact O-CE 3.35Å; N624-K815 PolarHBondContact O-NZ 2.96Å; N624-K815 VanDerWaalsContact OD1-CE 3.26Å; N624-K815 WeakPolarHBondContact OD1-CE 3.24Å; N624-K815 PolarHBondContact OD1-NZ 3.11Å
625	M	93.1	Very high	93	Very high	3 Å²	3	18 Å²	18	2%	0.015	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.2	169.6	-65.8	-174.5	74.7	0	0	113.5	L621 A622 G623 D627 F636 I653 V813 Y828	L621-M625 PolarHBondContact O-N 2.9Å; A622-M625 WeakPolarHBondContact O-CB 3.43Å; A622-M625 PolarHBondContact O-N 3.44Å; G623-M625 PolarHBondContact O-N 3.47Å; M625-D627 PolarHBondContact O-N 2.93Å; M625-F636 HydrophobicContact CE-CD1 3.84Å; M625-F636 HydrophobicContact CE-CE1 3.43Å; M625-F636 VanDerWaalsContact CE-CE1 3.43Å; M625-F636 HydrophobicContact CE-CE2 4.41Å; M625-F636 HydrophobicContact CE-CG 4.47Å; M625-F636 HydrophobicContact CE-CZ 3.75Å; M625-F636 HydrophobicContact SD-CE1 4.4Å; M625-I653 HydrophobicContact CB-CG2 3.8Å; M625-I653 HydrophobicContact CG-CG2 4.34Å; M625-I653 HydrophobicContact SD-CG2 3.91Å; M625-V813 HydrophobicContact CG-CB 4.34Å; M625-V813 HydrophobicContact CG-CG1 4.11Å; M625-V813 HydrophobicContact CG-CG2 4.18Å; M625-Y828 HydrophobicContact CE-CD1 3.69Å; M625-Y828 HydrophobicContact CE-CE1 3.99Å; M625-Y828 HydrophobicContact CE-CG 4.04Å
626	F	92.2	Very high	92.6	Very high	4 Å²	4	19 Å²	19	2%	0.018	10%	0.104	C	C	.	.			trans	-80.5	55.6	172.9	-70.8	-106.8	0	0	0	111.8	A622 G623 N624 L637 A648 F650 I653 N690 A693 N724	A622-F626 WeakPolarHBondContact O-CD2 3.38Å; G623-F626 WeakPolarHBondContact O-CB 3.5Å; G623-F626 WeakPolarHBondContact O-CD2 3.21Å; G623-F626 PolarHBondContact O-N 2.99Å; N624-F626 VanDerWaalsContact C-N 3.29Å; F626-L637 HydrophobicContact CD1-CD2 4.14Å; F626-L637 HydrophobicContact CE1-CD2 4.49Å; F626-L637 HydrophobicContact CG-CD2 4.26Å; F626-A648 HydrophobicContact CE1-CB 3.94Å; F626-A648 HydrophobicContact CZ-CB 4.3Å; F626-F650 AromaticContact CE2-CD2 3.96Å; F626-F650 HydrophobicContact CE2-CD2 3.96Å; F626-F650 HydrophobicContact CZ-CD2 4.44Å; F626-I653 HydrophobicContact CD2-CD1 4.31Å; F626-I653 HydrophobicContact CE1-CD1 4.29Å; F626-I653 HydrophobicContact CE2-CB 4.35Å; F626-I653 HydrophobicContact CE2-CD1 3.56Å; F626-I653 HydrophobicContact CE2-CG2 4.21Å; F626-I653 HydrophobicContact CZ-CD1 3.57Å; F626-N690 WeakPolarHBondContact O-CB 3.49Å; F626-N690 PolarHBondContact O-OD1 2.77Å; F626-A693 HydrophobicContact CD1-CB 3.96Å; F626-A693 HydrophobicContact CD2-CB 3.82Å; F626-A693 HydrophobicContact CE1-CB 3.73Å; F626-A693 HydrophobicContact CE2-CB 3.61Å; F626-A693 HydrophobicContact CG-CB 4Å; F626-A693 HydrophobicContact CZ-CB 3.54Å; F626-N724 PolarHBondContact O-ND2 3.47Å
627	D	89.1	Confident	92.3	Very high	15 Å²	15	18.7 Å²	18.7	8%	0.08	10%	0.103	C	C	.	.			trans	-112	118.6	-178.8	170.5	-19.2	0	0	0	109.6	M625 G629 A630 A633 K815	M625-D627 PolarHBondContact O-N 2.93Å; D627-G629 VanDerWaalsContact OD1-CA 3.31Å; D627-G629 WeakPolarHBondContact OD1-CA 3.23Å; D627-G629 PolarHBondContact OD1-N 2.72Å; D627-A630 PolarHBondContact OD1-N 3.49Å; D627-A633 HydrophobicContact CB-CB 4.39Å; D627-A633 VanDerWaalsContact O-CB 3.26Å; D627-A633 WeakPolarHBondContact O-CB 3.36Å; D627-K815 HydrophobicContact CB-CD 3.61Å; D627-K815 VanDerWaalsContact CB-NZ 3.27Å; D627-K815 WeakPolarHBondContact OD2-CD 3.42Å; D627-K815 WeakPolarHBondContact OD2-CE 3.45Å; D627-K815 IonicContact OD2-NZ 3.61Å; D627-K815 PolarHBondContact OD2-NZ 3.17Å
628	W	89.9	Confident	91.9	Very high	20 Å²	20	24.4 Å²	24.4	8%	0.076	13%	0.128	C	C	.	.	S	Bend	trans	-98.4	9	178.1	-66.6	99.1	0	0	0	113.6	Y516 F582 Q585 E589 I634 L637 K638 N724	Y516-W628 WeakPolarHBondContact CE1-O 3.46Å; Y516-W628 VanDerWaalsContact OH-CE3 3.24Å; F582-W628 HydrophobicContact CD1-CB 4.16Å; F582-W628 HydrophobicContact CE1-CB 3.6Å; F582-W628 HydrophobicContact CE1-CG 4.42Å; F582-W628 HydrophobicContact CZ-CB 4.37Å; Q585-W628 HydrophobicContact CG-CG 4.49Å; Q585-W628 VanDerWaalsContact NE2-CZ2 3.35Å; E589-W628 WeakPolarHBondContact OE1-CZ2 3.4Å; E589-W628 PolarHBondContact OE1-NE1 2.84Å; E589-W628 PolarHBondContact OE2-NE1 3.35Å; W628-I634 HydrophobicContact CE3-CB 4.32Å; W628-I634 HydrophobicContact CE3-CG1 4.13Å; W628-I634 HydrophobicContact CE3-CG2 4.09Å; W628-I634 HydrophobicContact CZ3-CG2 4.12Å; W628-I634 VanDerWaalsContact O-CD1 3.23Å; W628-I634 WeakPolarHBondContact O-CD1 3.27Å; W628-I634 WeakPolarHBondContact O-CG1 3.38Å; W628-L637 HydrophobicContact CD2-CD1 3.99Å; W628-L637 HydrophobicContact CE3-CD1 4.39Å; W628-L637 HydrophobicContact CG-CD1 4.43Å; W628-L637 HydrophobicContact CH2-CB 3.64Å; W628-L637 HydrophobicContact CH2-CD1 4.39Å; W628-L637 HydrophobicContact CZ2-CB 3.83Å; W628-L637 HydrophobicContact CZ2-CD1 3.98Å; W628-L637 HydrophobicContact CZ2-CG 4.49Å; W628-L637 HydrophobicContact CZ3-CB 4.12Å; W628-K638 HydrophobicContact CH2-CG 4.44Å; W628-K638 HydrophobicContact CZ3-CG 4.23Å; W628-N724 WeakPolarHBondContact CB-OD1 3.5Å; W628-N724 PolarHBondContact N-OD1 3.07Å
629	G	84.8	Confident	91.6	Very high	20 Å²	20	28.1 Å²	28.1	21%	0.206	15%	0.145	C	C	.	.	S	Bend	trans	-91.7	-31.4	172.1	0	0	0	0	0	113.3	D627	D627-G629 VanDerWaalsContact OD1-CA 3.31Å; D627-G629 WeakPolarHBondContact OD1-CA 3.23Å; D627-G629 PolarHBondContact OD1-N 2.72Å
630	A	88.1	Confident	91.3	Very high	12 Å²	12	28.5 Å²	28.5	10%	0.099	15%	0.148	C	C	.	.	S	Bend	trans	-90.7	119.1	-177.9	0	0	0	0	0	112.7	D627 E632 A633 I634 M792 K815	D627-A630 PolarHBondContact OD1-N 3.49Å; A630-E632 VanDerWaalsContact C-N 3.3Å; A630-E632 PolarHBondContact O-N 2.98Å; A630-E632 VanDerWaalsContact O-N 3.14Å; A630-A633 HydrophobicContact CB-CB 4.13Å; A630-A633 WeakPolarHBondContact O-CA 3.34Å; A630-A633 WeakPolarHBondContact O-CB 3.37Å; A630-A633 PolarHBondContact O-N 2.58Å; A630-I634 WeakPolarHBondContact O-CG1 3.22Å; A630-I634 PolarHBondContact O-N 3.5Å; A630-M792 HydrophobicContact CB-CE 4.05Å; A630-K815 HydrophobicContact CB-CB 3.61Å
631	A	89.6	Confident	91.1	Very high	46 Å²	46	32.3 Å²	32.3	38%	0.38	17%	0.173	S	C	.	.	H	α-helix	trans	-52	-40.6	-174.8	0	0	0	0	0	115.3	I634 Q635	A631-I634 PolarHBondContact O-N 3.47Å; A631-Q635 PolarHBondContact O-N 2.9Å; A631-Q635 VanDerWaalsContact O-N 3.1Å
632	E	90.9	Very high	90.8	Very high	47 Å²	47	37 Å²	37	22%	0.22	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-40.8	178.2	-48.8	-88.6	-158.8	0	0	110.8	A630 Q635 F636 K815 S817 L827 Y828	A630-E632 VanDerWaalsContact C-N 3.3Å; A630-E632 PolarHBondContact O-N 2.98Å; A630-E632 VanDerWaalsContact O-N 3.14Å; E632-Q635 PolarHBondContact O-N 2.94Å; E632-F636 WeakPolarHBondContact O-CB 3.25Å; E632-F636 PolarHBondContact O-N 3.18Å; E632-K815 WeakPolarHBondContact CG-O 3.48Å; E632-S817 WeakPolarHBondContact OE1-CB 3.36Å; E632-S817 PolarHBondContact OE1-N 3.17Å; E632-S817 PolarHBondContact OE1-OG 3.18Å; E632-L827 HydrophobicContact CB-CD1 3.88Å; E632-L827 HydrophobicContact CB-CD2 4.19Å; E632-L827 HydrophobicContact CG-CD1 3.72Å; E632-L827 HydrophobicContact CG-CD2 4.25Å; E632-Y828 PolarHBondContact O-OH 3.2Å
633	A	87.3	Confident	90.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-70.2	-40.7	176.4	0	0	0	0	0	111.7	D627 A630 Q635 F636 L637 K815	D627-A633 HydrophobicContact CB-CB 4.39Å; D627-A633 VanDerWaalsContact O-CB 3.26Å; D627-A633 WeakPolarHBondContact O-CB 3.36Å; A630-A633 HydrophobicContact CB-CB 4.13Å; A630-A633 WeakPolarHBondContact O-CA 3.34Å; A630-A633 WeakPolarHBondContact O-CB 3.37Å; A630-A633 PolarHBondContact O-N 2.58Å; A633-Q635 VanDerWaalsContact C-N 3.27Å; A633-Q635 PolarHBondContact O-N 2.89Å; A633-F636 PolarHBondContact O-N 2.86Å; A633-L637 WeakPolarHBondContact O-CB 3.4Å; A633-L637 VanDerWaalsContact O-CG 3.25Å; A633-L637 WeakPolarHBondContact O-CG 3.19Å; A633-L637 PolarHBondContact O-N 3.29Å; A633-K815 HydrophobicContact CB-CB 4.26Å; A633-K815 HydrophobicContact CB-CD 4.06Å; A633-K815 HydrophobicContact CB-CG 4.13Å
634	I	90.3	Very high	90	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-41.6	172.6	-62.6	167.9	0	0	0	111.1	Y516 W628 A630 A631 K638	Y516-I634 HydrophobicContact CD1-CD1 3.76Å; Y516-I634 HydrophobicContact CE1-CD1 3.65Å; Y516-I634 HydrophobicContact CE1-CG1 4.32Å; Y516-I634 HydrophobicContact CE2-CG2 4.23Å; Y516-I634 HydrophobicContact CG-CD1 4.4Å; W628-I634 HydrophobicContact CE3-CB 4.32Å; W628-I634 HydrophobicContact CE3-CG1 4.13Å; W628-I634 HydrophobicContact CE3-CG2 4.09Å; W628-I634 HydrophobicContact CZ3-CG2 4.12Å; W628-I634 VanDerWaalsContact O-CD1 3.23Å; W628-I634 WeakPolarHBondContact O-CD1 3.27Å; W628-I634 WeakPolarHBondContact O-CG1 3.38Å; A630-I634 WeakPolarHBondContact O-CG1 3.22Å; A630-I634 PolarHBondContact O-N 3.5Å; A631-I634 PolarHBondContact O-N 3.47Å; I634-K638 HydrophobicContact CG2-CD 4.21Å; I634-K638 WeakPolarHBondContact O-CB 3.17Å; I634-K638 WeakPolarHBondContact O-CD 3.5Å; I634-K638 WeakPolarHBondContact O-CG 3.43Å; I634-K638 PolarHBondContact O-N 2.87Å
635	Q	91.5	Very high	89.4	Confident	109 Å²	109	49 Å²	49	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-68.2	-50.5	175.9	-179	172	-6.5	0	0	111.1	A631 E632 A633 L637 K638 E639	A631-Q635 PolarHBondContact O-N 2.9Å; A631-Q635 VanDerWaalsContact O-N 3.1Å; E632-Q635 PolarHBondContact O-N 2.94Å; A633-Q635 VanDerWaalsContact C-N 3.27Å; A633-Q635 PolarHBondContact O-N 2.89Å; Q635-L637 PolarHBondContact O-N 2.88Å; Q635-K638 WeakPolarHBondContact O-CB 3.29Å; Q635-K638 PolarHBondContact O-N 2.69Å; Q635-K638 VanDerWaalsContact O-N 3.13Å; Q635-E639 VanDerWaalsContact CG-OE1 3.22Å; Q635-E639 WeakPolarHBondContact CG-OE1 3.49Å; Q635-E639 PolarHBondContact NE2-OE1 3.1Å; Q635-E639 PolarHBondContact O-N 2.82Å
636	F	89.8	Confident	88.9	Confident	35 Å²	35	50.7 Å²	50.7	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-46.7	178.9	173.4	-103	0	0	0	112.6	M625 E632 A633 K638 E639 A640 I653 K656	M625-F636 HydrophobicContact CE-CD1 3.84Å; M625-F636 HydrophobicContact CE-CE1 3.43Å; M625-F636 VanDerWaalsContact CE-CE1 3.43Å; M625-F636 HydrophobicContact CE-CE2 4.41Å; M625-F636 HydrophobicContact CE-CG 4.47Å; M625-F636 HydrophobicContact CE-CZ 3.75Å; M625-F636 HydrophobicContact SD-CE1 4.4Å; E632-F636 WeakPolarHBondContact O-CB 3.25Å; E632-F636 PolarHBondContact O-N 3.18Å; A633-F636 PolarHBondContact O-N 2.86Å; F636-K638 VanDerWaalsContact C-N 3.3Å; F636-K638 PolarHBondContact O-N 3.48Å; F636-E639 PolarHBondContact O-N 3.22Å; F636-A640 VanDerWaalsContact O-CB 3.27Å; F636-A640 WeakPolarHBondContact O-CB 3.31Å; F636-A640 PolarHBondContact O-N 3.02Å; F636-I653 HydrophobicContact CE1-CB 4.43Å; F636-I653 HydrophobicContact CE1-CD1 3.92Å; F636-I653 HydrophobicContact CE1-CG1 3.69Å; F636-I653 HydrophobicContact CE1-CG2 4.12Å; F636-I653 HydrophobicContact CZ-CG1 3.88Å; F636-I653 HydrophobicContact CZ-CG2 4.48Å; F636-K656 HydrophobicContact CE2-CB 4.28Å; F636-K656 HydrophobicContact CE2-CG 4.02Å; F636-K656 HydrophobicContact CZ-CB 3.94Å; F636-K656 HydrophobicContact CZ-CG 3.93Å
637	L	90	Very high	88.6	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-29.2	177.8	-68.9	169.7	0	0	0	112.9	F626 W628 A633 Q635 K642 A648 I653	F626-L637 HydrophobicContact CD1-CD2 4.14Å; F626-L637 HydrophobicContact CE1-CD2 4.49Å; F626-L637 HydrophobicContact CG-CD2 4.26Å; W628-L637 HydrophobicContact CD2-CD1 3.99Å; W628-L637 HydrophobicContact CE3-CD1 4.39Å; W628-L637 HydrophobicContact CG-CD1 4.43Å; W628-L637 HydrophobicContact CH2-CB 3.64Å; W628-L637 HydrophobicContact CH2-CD1 4.39Å; W628-L637 HydrophobicContact CZ2-CB 3.83Å; W628-L637 HydrophobicContact CZ2-CD1 3.98Å; W628-L637 HydrophobicContact CZ2-CG 4.49Å; W628-L637 HydrophobicContact CZ3-CB 4.12Å; A633-L637 WeakPolarHBondContact O-CB 3.4Å; A633-L637 VanDerWaalsContact O-CG 3.25Å; A633-L637 WeakPolarHBondContact O-CG 3.19Å; A633-L637 PolarHBondContact O-N 3.29Å; Q635-L637 PolarHBondContact O-N 2.88Å; L637-K642 PolarHBondContact O-NZ 3.29Å; L637-A648 HydrophobicContact CD2-CB 4.02Å; L637-I653 HydrophobicContact CD2-CD1 3.84Å
638	K	90.1	Very high	88.6	Confident	121 Å²	121	50.4 Å²	50.4	53%	0.526	27%	0.266	S	S	.	.	H	α-helix	trans	-70	-44.6	171.4	-77	168.7	-176.9	173.4	0	111.5	W628 I634 Q635 F636 K642	W628-K638 HydrophobicContact CH2-CG 4.44Å; W628-K638 HydrophobicContact CZ3-CG 4.23Å; I634-K638 HydrophobicContact CG2-CD 4.21Å; I634-K638 WeakPolarHBondContact O-CB 3.17Å; I634-K638 WeakPolarHBondContact O-CD 3.5Å; I634-K638 WeakPolarHBondContact O-CG 3.43Å; I634-K638 PolarHBondContact O-N 2.87Å; Q635-K638 WeakPolarHBondContact O-CB 3.29Å; Q635-K638 PolarHBondContact O-N 2.69Å; Q635-K638 VanDerWaalsContact O-N 3.13Å; F636-K638 VanDerWaalsContact C-N 3.3Å; F636-K638 PolarHBondContact O-N 3.48Å; K638-K642 PolarHBondContact O-NZ 2.94Å
639	E	92	Very high	88.7	Confident	139 Å²	139	51.6 Å²	51.6	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-79.6	-22.8	-178	-67.5	175.8	-162.9	0	0	114.2	Q635 F636	Q635-E639 VanDerWaalsContact CG-OE1 3.22Å; Q635-E639 WeakPolarHBondContact CG-OE1 3.49Å; Q635-E639 PolarHBondContact NE2-OE1 3.1Å; Q635-E639 PolarHBondContact O-N 2.82Å; F636-E639 PolarHBondContact O-N 3.22Å
640	A	90.4	Very high	89.1	Confident	8 Å²	8	51 Å²	51	7%	0.066	27%	0.266	C	S	.	.	S	Bend	trans	-58.5	146	-177.7	0	0	0	0	0	112.7	F636 K642 A648 I653	F636-A640 VanDerWaalsContact O-CB 3.27Å; F636-A640 WeakPolarHBondContact O-CB 3.31Å; F636-A640 PolarHBondContact O-N 3.02Å; A640-K642 WeakPolarHBondContact O-CD 3.23Å; A640-K642 WeakPolarHBondContact O-CE 3.13Å; A640-K642 PolarHBondContact O-NZ 3.2Å; A640-A648 HydrophobicContact CB-CB 4.11Å; A640-I653 HydrophobicContact CB-CD1 4.47Å
641	P	92.6	Very high	89.3	Confident	83 Å²	83	53.6 Å²	53.6	54%	0.539	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-50.1	143.3	171.3	-27.4	36.4	0	0	0	112	D649 A652	P641-D649 WeakPolarHBondContact O-CB 3.38Å; P641-D649 PolarHBondContact O-N 3.11Å; P641-A652 HydrophobicContact CB-CB 4.06Å; P641-A652 HydrophobicContact CG-CB 3.87Å
642	K	91.3	Very high	89.3	Confident	98 Å²	98	52.4 Å²	52.4	43%	0.426	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-101.9	137.4	-178.2	-52.9	-50	-178.7	-147.2	0	111.2	L637 K638 A640 G646 A647	L637-K642 PolarHBondContact O-NZ 3.29Å; K638-K642 PolarHBondContact O-NZ 2.94Å; A640-K642 WeakPolarHBondContact O-CD 3.23Å; A640-K642 WeakPolarHBondContact O-CE 3.13Å; A640-K642 PolarHBondContact O-NZ 3.2Å; K642-G646 WeakPolarHBondContact CD-O 3.29Å; K642-A647 CarbonylContact C-O 3.46Å; K642-A647 VanDerWaalsContact CA-O 3.28Å; K642-A647 WeakPolarHBondContact CA-O 3.35Å
643	N	87.2	Confident	89.3	Confident	36 Å²	36	50.2 Å²	50.2	19%	0.193	26%	0.255	C	S	.	.			trans	-74.4	179.3	170.6	68.4	40.3	0	0	0	111.3	F645 G646 A647 A648 D649	N643-F645 PolarHBondContact O-N 3.42Å; N643-F645 PolarHBondContact OD1-N 2.8Å; N643-G646 PolarHBondContact O-N 3.26Å; N643-G646 PolarHBondContact OD1-N 3.15Å; N643-A647 PolarHBondContact N-O 2.85Å; N643-A647 PolarHBondContact ND2-O 3.28Å; N643-A648 PolarHBondContact ND2-O 3.16Å; N643-D649 HydrophobicContact CB-CB 4.35Å
644	K	85	Confident	89.5	Confident	157 Å²	157	51.6 Å²	51.6	68%	0.683	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-8.3	-178	69.9	-162.7	177.2	-162.1	0	115.9	S595	S595-K644 PolarHBondContact O-NZ 3.1Å
645	F	82.6	Confident	89.4	Confident	59 Å²	59	57.6 Å²	57.6	26%	0.259	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-6.4	176.7	-51.8	-64	0	0	0	114.1	F64 F588 A592 N643	F64-F645 AromaticContact CE2-CD1 3.76Å; F64-F645 HydrophobicContact CE2-CD1 3.76Å; F64-F645 AromaticContact CE2-CE1 3.5Å; F64-F645 HydrophobicContact CE2-CE1 3.5Å; F64-F645 VanDerWaalsContact CE2-CE1 3.5Å; F64-F645 HydrophobicContact CE2-CZ 4.23Å; F64-F645 AromaticContact CZ-CD1 3.74Å; F64-F645 HydrophobicContact CZ-CD1 3.74Å; F64-F645 HydrophobicContact CZ-CE1 4.17Å; F64-F645 HydrophobicContact CZ-CG 4.38Å; F588-F645 WeakPolarHBondContact CE2-O 3.17Å; F588-F645 VanDerWaalsContact CZ-O 3.25Å; F588-F645 WeakPolarHBondContact CZ-O 3.05Å; A592-F645 HydrophobicContact CB-CB 4.32Å; A592-F645 HydrophobicContact CB-CD2 3.98Å; N643-F645 PolarHBondContact O-N 3.42Å; N643-F645 PolarHBondContact OD1-N 2.8Å
646	G	83.1	Confident	89	Confident	40 Å²	40	58.7 Å²	58.7	41%	0.412	30%	0.298	S	S	.	.	S	Bend	trans	92.7	-4.4	-177.4	0	0	0	0	0	115.1	K642 N643	K642-G646 WeakPolarHBondContact CD-O 3.29Å; N643-G646 PolarHBondContact O-N 3.26Å; N643-G646 PolarHBondContact OD1-N 3.15Å
647	A	85.5	Confident	88.8	Confident	5 Å²	5	57.9 Å²	57.9	4%	0.041	30%	0.296	C	S	.	.	S	Bend	trans	-75.5	160.1	169.7	0	0	0	0	0	110.5	F588 A592 K642 N643	F588-A647 HydrophobicContact CD1-CB 4.27Å; F588-A647 HydrophobicContact CE1-CB 3.68Å; F588-A647 HydrophobicContact CZ-CB 4.12Å; A592-A647 HydrophobicContact CB-CB 3.69Å; K642-A647 CarbonylContact C-O 3.46Å; K642-A647 VanDerWaalsContact CA-O 3.28Å; K642-A647 WeakPolarHBondContact CA-O 3.35Å; N643-A647 PolarHBondContact N-O 2.85Å; N643-A647 PolarHBondContact ND2-O 3.28Å
648	A	88.3	Confident	88.7	Confident	7 Å²	7	60.1 Å²	60.1	6%	0.058	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-61.1	139.8	175.8	0	0	0	0	0	110.7	F626 L637 A640 N643 I653	F626-A648 HydrophobicContact CE1-CB 3.94Å; F626-A648 HydrophobicContact CZ-CB 4.3Å; L637-A648 HydrophobicContact CD2-CB 4.02Å; A640-A648 HydrophobicContact CB-CB 4.11Å; N643-A648 PolarHBondContact ND2-O 3.16Å; A648-I653 HydrophobicContact CB-CD1 3.84Å
649	D	92.2	Very high	88.8	Confident	46 Å²	46	59.1 Å²	59.1	25%	0.246	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-79.6	127.7	-176.9	-172.6	-92.6	0	0	0	111.7	P641 N643 H651 A652 I653	P641-D649 WeakPolarHBondContact O-CB 3.38Å; P641-D649 PolarHBondContact O-N 3.11Å; N643-D649 HydrophobicContact CB-CB 4.35Å; D649-H651 PolarHBondContact OD1-N 2.87Å; D649-A652 HydrophobicContact CB-CB 3.96Å; D649-A652 PolarHBondContact O-N 3.3Å; D649-A652 PolarHBondContact OD1-N 3.43Å; D649-I653 WeakPolarHBondContact O-CG1 3.46Å; D649-I653 PolarHBondContact O-N 3.1Å
650	F	93.5	Very high	89	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-39.4	-173.3	-179.5	-105.1	0	0	0	112.3	A622 F626 I653 L654 A693 L697	A622-F650 HydrophobicContact CB-CD2 4.48Å; A622-F650 HydrophobicContact CB-CE2 3.89Å; A622-F650 HydrophobicContact CB-CZ 4.16Å; F626-F650 AromaticContact CE2-CD2 3.96Å; F626-F650 HydrophobicContact CE2-CD2 3.96Å; F626-F650 HydrophobicContact CZ-CD2 4.44Å; F650-I653 PolarHBondContact O-N 2.7Å; F650-I653 VanDerWaalsContact O-N 3.17Å; F650-L654 WeakPolarHBondContact O-CB 3.43Å; F650-L654 PolarHBondContact O-N 2.95Å; F650-A693 HydrophobicContact CD2-CB 3.78Å; F650-A693 HydrophobicContact CE2-CB 4.4Å; F650-L697 HydrophobicContact CB-CD1 3.78Å; F650-L697 HydrophobicContact CD1-CB 4.12Å; F650-L697 HydrophobicContact CD1-CD1 3.99Å; F650-L697 HydrophobicContact CD2-CB 4.07Å; F650-L697 HydrophobicContact CD2-CD1 4.06Å; F650-L697 HydrophobicContact CE1-CB 3.88Å; F650-L697 HydrophobicContact CE2-CB 3.8Å; F650-L697 HydrophobicContact CG-CB 4.2Å; F650-L697 HydrophobicContact CG-CD1 3.68Å; F650-L697 HydrophobicContact CZ-CB 3.69Å
651	H	91.4	Very high	89.2	Confident	66 Å²	66	61.5 Å²	61.5	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-67.8	-41.3	177.9	-65	75	0	0	0	111.4	E603 D649 I653 L654 D655	E603-H651 IonicContact OE1-CD2 3.23Å; E603-H651 IonicContact OE1-CE1 3.85Å; E603-H651 IonicContact OE1-NE2 3.17Å; E603-H651 PolarHBondContact OE1-NE2 3.42Å; E603-H651 IonicContact OE2-CD2 3.48Å; E603-H651 IonicContact OE2-CE1 3.1Å; E603-H651 IonicContact OE2-NE2 3.72Å; E603-H651 PolarHBondContact OE2-NE2 3.45Å; D649-H651 PolarHBondContact OD1-N 2.87Å; H651-I653 PolarHBondContact O-N 2.87Å; H651-I653 VanDerWaalsContact O-N 3.13Å; H651-L654 WeakPolarHBondContact O-CB 3.29Å; H651-L654 PolarHBondContact O-N 3.21Å; H651-L654 VanDerWaalsContact O-N 3.16Å; H651-D655 PolarHBondContact O-N 3.04Å
652	A	90.1	Very high	89.4	Confident	21 Å²	21	58.2 Å²	58.2	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-16.9	173.6	0	0	0	0	0	114.1	P641 D649 K656	P641-A652 HydrophobicContact CB-CB 4.06Å; P641-A652 HydrophobicContact CG-CB 3.87Å; D649-A652 HydrophobicContact CB-CB 3.96Å; D649-A652 PolarHBondContact O-N 3.3Å; D649-A652 PolarHBondContact OD1-N 3.43Å; A652-K656 VanDerWaalsContact O-CG 3.3Å; A652-K656 WeakPolarHBondContact O-CG 3.1Å
653	I	91.4	Very high	89.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-95.9	-34.8	174.3	-68.3	177.4	0	0	0	111.2	A622 M625 F626 F636 L637 A640 A648 D649 F650 H651 D655 K656 V657	A622-I653 HydrophobicContact CB-CG2 4.19Å; A622-I653 WeakPolarHBondContact O-CG2 3.38Å; M625-I653 HydrophobicContact CB-CG2 3.8Å; M625-I653 HydrophobicContact CG-CG2 4.34Å; M625-I653 HydrophobicContact SD-CG2 3.91Å; F626-I653 HydrophobicContact CD2-CD1 4.31Å; F626-I653 HydrophobicContact CE1-CD1 4.29Å; F626-I653 HydrophobicContact CE2-CB 4.35Å; F626-I653 HydrophobicContact CE2-CD1 3.56Å; F626-I653 HydrophobicContact CE2-CG2 4.21Å; F626-I653 HydrophobicContact CZ-CD1 3.57Å; F636-I653 HydrophobicContact CE1-CB 4.43Å; F636-I653 HydrophobicContact CE1-CD1 3.92Å; F636-I653 HydrophobicContact CE1-CG1 3.69Å; F636-I653 HydrophobicContact CE1-CG2 4.12Å; F636-I653 HydrophobicContact CZ-CG1 3.88Å; F636-I653 HydrophobicContact CZ-CG2 4.48Å; L637-I653 HydrophobicContact CD2-CD1 3.84Å; A640-I653 HydrophobicContact CB-CD1 4.47Å; A648-I653 HydrophobicContact CB-CD1 3.84Å; D649-I653 WeakPolarHBondContact O-CG1 3.46Å; D649-I653 PolarHBondContact O-N 3.1Å; F650-I653 PolarHBondContact O-N 2.7Å; F650-I653 VanDerWaalsContact O-N 3.17Å; H651-I653 PolarHBondContact O-N 2.87Å; H651-I653 VanDerWaalsContact O-N 3.13Å; I653-D655 VanDerWaalsContact C-N 3.29Å; I653-D655 PolarHBondContact O-N 3.26Å; I653-K656 WeakPolarHBondContact O-CA 3.48Å; I653-K656 WeakPolarHBondContact O-CB 3.44Å; I653-K656 PolarHBondContact O-N 3.47Å; I653-V657 PolarHBondContact O-N 2.93Å
654	L	91.6	Very high	90.2	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-56.2	-44.5	169.5	-165.5	69.6	0	0	0	111	E618 A622 F650 H651 K656 V657	E618-L654 HydrophobicContact CB-CD1 3.76Å; E618-L654 WeakPolarHBondContact O-CD1 3.28Å; A622-L654 HydrophobicContact CB-CB 4.22Å; A622-L654 HydrophobicContact CB-CD1 3.74Å; F650-L654 WeakPolarHBondContact O-CB 3.43Å; F650-L654 PolarHBondContact O-N 2.95Å; H651-L654 WeakPolarHBondContact O-CB 3.29Å; H651-L654 PolarHBondContact O-N 3.21Å; H651-L654 VanDerWaalsContact O-N 3.16Å; L654-K656 PolarHBondContact O-N 3.02Å; L654-V657 PolarHBondContact O-N 2.82Å; L654-V657 VanDerWaalsContact O-N 3.16Å
655	D	87.4	Confident	90.8	Very high	139 Å²	139	50.8 Å²	50.8	74%	0.743	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-5	172.4	-76.4	-9.7	0	0	0	114.5	H651 I653	H651-D655 PolarHBondContact O-N 3.04Å; I653-D655 VanDerWaalsContact C-N 3.29Å; I653-D655 PolarHBondContact O-N 3.26Å
656	K	84.3	Confident	91.5	Very high	132 Å²	132	49.8 Å²	49.8	57%	0.574	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-8.5	178.1	-62.4	-65.5	-179.2	-169.1	0	113.9	F636 A652 I653 L654 Q658	F636-K656 HydrophobicContact CE2-CB 4.28Å; F636-K656 HydrophobicContact CE2-CG 4.02Å; F636-K656 HydrophobicContact CZ-CB 3.94Å; F636-K656 HydrophobicContact CZ-CG 3.93Å; A652-K656 VanDerWaalsContact O-CG 3.3Å; A652-K656 WeakPolarHBondContact O-CG 3.1Å; I653-K656 WeakPolarHBondContact O-CA 3.48Å; I653-K656 WeakPolarHBondContact O-CB 3.44Å; I653-K656 PolarHBondContact O-N 3.47Å; L654-K656 PolarHBondContact O-N 3.02Å; K656-Q658 PolarHBondContact O-N 2.79Å
657	V	85.1	Confident	92.2	Very high	18 Å²	18	48.5 Å²	48.5	11%	0.109	26%	0.26	C	S	.	.	S	Bend	trans	-60.5	135.8	171.7	177.5	0	0	0	0	109	L621 A622 I653 L654 S659 V830	L621-V657 HydrophobicContact CB-CG1 3.73Å; L621-V657 HydrophobicContact CB-CG2 4.13Å; L621-V657 HydrophobicContact CD1-CG1 3.88Å; L621-V657 HydrophobicContact CG-CG1 4.46Å; A622-V657 HydrophobicContact CB-CG2 3.76Å; I653-V657 PolarHBondContact O-N 2.93Å; L654-V657 PolarHBondContact O-N 2.82Å; L654-V657 VanDerWaalsContact O-N 3.16Å; V657-S659 PolarHBondContact O-N 2.8Å; V657-V830 HydrophobicContact CG1-CG2 4.46Å
658	Q	88.6	Confident	92.7	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.229	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.6	127.7	179.2	-168.6	-170	10.5	0	0	110.1	K656 W662 V830	K656-Q658 PolarHBondContact O-N 2.79Å; Q658-W662 PolarHBondContact O-NE1 2.91Å; Q658-V830 HydrophobicContact CB-CG2 4.03Å
659	S	91.4	Very high	93	Very high	101 Å²	101	56.3 Å²	56.3	71%	0.706	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-66.5	149.8	170.9	-44.7	0	0	0	0	111.4	V657	V657-S659 PolarHBondContact O-N 2.8Å
660	R	95.8	Very high	93.2	Very high	88 Å²	88	54.2 Å²	54.2	33%	0.332	29%	0.289	S	S	.	.	S	Bend	trans	-60.3	148.3	174.7	-65.1	-174.2	67.3	-146.9	-4	111.5	W662 D665 D668	R660-W662 HydrophobicContact CG-CD2 3.79Å; R660-W662 HydrophobicContact CG-CE3 4.16Å; R660-W662 HydrophobicContact CG-CG 4.32Å; R660-W662 HydrophobicContact CG-CH2 4.14Å; R660-W662 HydrophobicContact CG-CZ2 3.74Å; R660-W662 HydrophobicContact CG-CZ3 4.35Å; R660-D665 IonicContact CZ-OD1 2.74Å; R660-D665 IonicContact CZ-OD2 3.64Å; R660-D665 IonicContact NE-OD1 2.78Å; R660-D665 PolarHBondContact NE-OD1 2.95Å; R660-D665 IonicContact NE-OD2 3.23Å; R660-D665 PolarHBondContact NE-OD2 2.63Å; R660-D665 VanDerWaalsContact NH2-CG 3.28Å; R660-D665 IonicContact NH2-OD1 3.43Å; R660-D665 PolarHBondContact NH2-OD1 2.87Å; R660-D665 IonicContact NH2-OD2 3.63Å; R660-D665 PolarHBondContact NH2-OD2 2.97Å; R660-D668 IonicContact CZ-OD1 3.54Å; R660-D668 IonicContact CZ-OD2 2.62Å; R660-D668 IonicContact NH1-OD1 2.78Å; R660-D668 PolarHBondContact NH1-OD1 2.92Å; R660-D668 IonicContact NH1-OD2 2.78Å; R660-D668 IonicContact NH2-OD1 3.76Å; R660-D668 PolarHBondContact NH2-OD1 3.29Å; R660-D668 IonicContact NH2-OD2 3.89Å; R660-D668 PolarHBondContact NH2-OD2 2.98Å
661	P	95.6	Very high	93.3	Very high	109 Å²	109	54.8 Å²	54.8	71%	0.708	29%	0.293	S	S	*	.	S	Bend	cis	-76.9	137.4	3.1	31.3	-35.2	0	0	0	113.2	D665	P661-D665 WeakPolarHBondContact CA-OD2 3.26Å
662	W	96.6	Very high	93.3	Very high	13 Å²	13	56.7 Å²	56.7	5%	0.049	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-78.1	164.6	175	-62.4	-38.5	0	0	0	112.8	L614 I617 L621 Q658 R660 V664 D665 Y667 V830 F832	L614-W662 HydrophobicContact CD1-CH2 4.26Å; I617-W662 HydrophobicContact CG2-CH2 3.56Å; I617-W662 HydrophobicContact CG2-CZ3 4Å; L621-W662 HydrophobicContact CD1-CH2 4Å; L621-W662 HydrophobicContact CD1-CZ2 3.62Å; Q658-W662 PolarHBondContact O-NE1 2.91Å; R660-W662 HydrophobicContact CG-CD2 3.79Å; R660-W662 HydrophobicContact CG-CE3 4.16Å; R660-W662 HydrophobicContact CG-CG 4.32Å; R660-W662 HydrophobicContact CG-CH2 4.14Å; R660-W662 HydrophobicContact CG-CZ2 3.74Å; R660-W662 HydrophobicContact CG-CZ3 4.35Å; W662-V664 VanDerWaalsContact C-N 3.29Å; W662-V664 PolarHBondContact O-N 2.64Å; W662-D665 HydrophobicContact CB-CB 3.98Å; W662-D665 PolarHBondContact N-OD2 2.84Å; W662-D665 VanDerWaalsContact N-OD2 3.11Å; W662-Y667 HydrophobicContact CH2-CD2 4.31Å; W662-Y667 HydrophobicContact CZ3-CD2 4.17Å; W662-Y667 HydrophobicContact CZ3-CG 4.36Å; W662-V830 HydrophobicContact CB-CB 3.81Å; W662-V830 HydrophobicContact CB-CG1 3.84Å; W662-V830 HydrophobicContact CD2-CB 4.19Å; W662-V830 HydrophobicContact CD2-CG1 3.59Å; W662-V830 HydrophobicContact CE3-CG1 4.11Å; W662-V830 HydrophobicContact CG-CB 3.58Å; W662-V830 HydrophobicContact CG-CG1 3.47Å; W662-V830 VanDerWaalsContact CG-CG1 3.47Å; W662-V830 HydrophobicContact CG-CG2 4.36Å; W662-F832 HydrophobicContact CD2-CB 4.43Å; W662-F832 HydrophobicContact CE3-CB 3.43Å; W662-F832 VanDerWaalsContact CE3-CB 3.43Å; W662-F832 AromaticContact CE3-CG 3.98Å; W662-F832 HydrophobicContact CE3-CG 3.98Å; W662-F832 HydrophobicContact CZ3-CB 3.65Å; W662-F832 HydrophobicContact CZ3-CD1 4.25Å; W662-F832 AromaticContact CZ3-CD2 3.94Å; W662-F832 HydrophobicContact CZ3-CD2 3.94Å; W662-F832 AromaticContact CZ3-CG 3.67Å; W662-F832 HydrophobicContact CZ3-CG 3.67Å
663	L	96.2	Very high	93.5	Very high	56 Å²	56	58.7 Å²	58.7	29%	0.293	31%	0.308	S	S	.	.	S	Bend	trans	-61.8	-39.5	-179.4	177.9	63.9	0	0	0	111.6	I814 L823 V830	L663-I814 HydrophobicContact CD2-CD1 3.58Å; L663-L823 HydrophobicContact CD2-CB 3.97Å; L663-V830 WeakPolarHBondContact CB-O 3.14Å; L663-V830 PolarHBondContact N-O 3.29Å
664	V	97.4	Very high	93.6	Very high	42 Å²	42	58.8 Å²	58.8	26%	0.255	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.4	158	-177.2	0	0	0	0	106.6	W662 V830 I831 F832 K833	W662-V664 VanDerWaalsContact C-N 3.29Å; W662-V664 PolarHBondContact O-N 2.64Å; V664-V830 PolarHBondContact N-O 2.87Å; V664-I831 HydrophobicContact CB-CB 4.45Å; V664-I831 HydrophobicContact CB-CG1 4.41Å; V664-I831 HydrophobicContact CB-CG2 4.09Å; V664-I831 HydrophobicContact CG2-CD1 4.32Å; V664-I831 HydrophobicContact CG2-CG1 4.12Å; V664-I831 HydrophobicContact CG2-CG2 4.29Å; V664-F832 CarbonylContact O-C 3.56Å; V664-F832 PolarHBondContact O-N 2.94Å; V664-K833 HydrophobicContact CG1-CB 3.84Å; V664-K833 HydrophobicContact CG1-CG 3.99Å
665	D	97.7	Very high	93.5	Very high	37 Å²	37	59.9 Å²	59.9	20%	0.198	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106.2	-178.8	-162.7	-38.1	0	0	0	110.3	R660 P661 W662 Y667	R660-D665 IonicContact CZ-OD1 2.74Å; R660-D665 IonicContact CZ-OD2 3.64Å; R660-D665 IonicContact NE-OD1 2.78Å; R660-D665 PolarHBondContact NE-OD1 2.95Å; R660-D665 IonicContact NE-OD2 3.23Å; R660-D665 PolarHBondContact NE-OD2 2.63Å; R660-D665 VanDerWaalsContact NH2-CG 3.28Å; R660-D665 IonicContact NH2-OD1 3.43Å; R660-D665 PolarHBondContact NH2-OD1 2.87Å; R660-D665 IonicContact NH2-OD2 3.63Å; R660-D665 PolarHBondContact NH2-OD2 2.97Å; P661-D665 WeakPolarHBondContact CA-OD2 3.26Å; W662-D665 HydrophobicContact CB-CB 3.98Å; W662-D665 PolarHBondContact N-OD2 2.84Å; W662-D665 VanDerWaalsContact N-OD2 3.11Å; D665-Y667 WeakPolarHBondContact OD1-CB 3.27Å; D665-Y667 PolarHBondContact OD1-N 3.5Å; D665-Y667 VanDerWaalsContact OD1-N 3.12Å
666	N	97.7	Very high	93.1	Very high	39 Å²	39	56.9 Å²	56.9	21%	0.209	31%	0.305	C	S	.	.			trans	-119.8	21.1	171.8	-56.5	155	0	0	0	111.8	D668 N669 W670 F832 K833 F834	N666-D668 VanDerWaalsContact C-N 3.27Å; N666-D668 PolarHBondContact O-N 3.05Å; N666-N669 PolarHBondContact O-N 3.43Å; N666-N669 VanDerWaalsContact O-N 3.13Å; N666-W670 PolarHBondContact O-N 2.81Å; N666-F832 HydrophobicContact CB-CD1 4.48Å; N666-F832 WeakPolarHBondContact CB-O 3.41Å; N666-F832 PolarHBondContact N-O 2.83Å; N666-K833 WeakPolarHBondContact OD1-CA 3.33Å; N666-F834 HydrophobicContact CB-CB 3.87Å; N666-F834 PolarHBondContact OD1-N 2.99Å
667	Y	97.8	Very high	92.2	Very high	12 Å²	12	56.4 Å²	56.4	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-39.9	-177.5	-179.4	-89.2	0	0	0	111.8	L614 I617 W662 D665 N669 W670 I671 F832	L614-Y667 WeakPolarHBondContact CA-OH 3.42Å; L614-Y667 HydrophobicContact CB-CE2 4.45Å; L614-Y667 HydrophobicContact CD1-CD2 4.21Å; L614-Y667 HydrophobicContact CD1-CE1 4.36Å; L614-Y667 HydrophobicContact CD1-CE2 3.83Å; L614-Y667 PolarHBondContact N-OH 3.08Å; L614-Y667 VanDerWaalsContact N-OH 3.09Å; I617-Y667 HydrophobicContact CB-CE2 4.33Å; I617-Y667 HydrophobicContact CG1-CD2 4.16Å; I617-Y667 HydrophobicContact CG1-CE2 3.84Å; W662-Y667 HydrophobicContact CH2-CD2 4.31Å; W662-Y667 HydrophobicContact CZ3-CD2 4.17Å; W662-Y667 HydrophobicContact CZ3-CG 4.36Å; D665-Y667 WeakPolarHBondContact OD1-CB 3.27Å; D665-Y667 PolarHBondContact OD1-N 3.5Å; D665-Y667 VanDerWaalsContact OD1-N 3.12Å; Y667-N669 VanDerWaalsContact C-N 3.29Å; Y667-N669 PolarHBondContact O-N 2.88Å; Y667-W670 WeakPolarHBondContact O-CB 3.14Å; Y667-W670 PolarHBondContact O-N 2.89Å; Y667-W670 VanDerWaalsContact O-N 3.17Å; Y667-I671 HydrophobicContact CD1-CB 4.44Å; Y667-I671 HydrophobicContact CD1-CG2 4.35Å; Y667-I671 HydrophobicContact CE1-CB 3.94Å; Y667-I671 HydrophobicContact CE1-CG1 4.28Å; Y667-I671 HydrophobicContact CE1-CG2 4.11Å; Y667-I671 WeakPolarHBondContact O-CG2 3.46Å; Y667-I671 PolarHBondContact O-N 3.11Å; Y667-F832 HydrophobicContact CD2-CZ 4.41Å
668	D	96.9	Very high	91.2	Very high	81 Å²	81	59.4 Å²	59.4	43%	0.433	35%	0.353	S	S	.	.	H	α-helix	trans	-68.9	-29.1	-179	-54.6	-40.2	0	0	0	112.1	R660 N666 N672	R660-D668 IonicContact CZ-OD1 3.54Å; R660-D668 IonicContact CZ-OD2 2.62Å; R660-D668 IonicContact NH1-OD1 2.78Å; R660-D668 PolarHBondContact NH1-OD1 2.92Å; R660-D668 IonicContact NH1-OD2 2.78Å; R660-D668 IonicContact NH2-OD1 3.76Å; R660-D668 PolarHBondContact NH2-OD1 3.29Å; R660-D668 IonicContact NH2-OD2 3.89Å; R660-D668 PolarHBondContact NH2-OD2 2.98Å; N666-D668 VanDerWaalsContact C-N 3.27Å; N666-D668 PolarHBondContact O-N 3.05Å; D668-N672 VanDerWaalsContact O-CB 3.31Å; D668-N672 WeakPolarHBondContact O-CB 3.36Å; D668-N672 VanDerWaalsContact O-CG 3.23Å; D668-N672 PolarHBondContact O-N 3.48Å; D668-N672 PolarHBondContact O-ND2 3.29Å
669	N	94.9	Very high	90.4	Very high	96 Å²	96	59.6 Å²	59.6	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-72.4	-40.5	172.1	-67.3	-21.7	0	0	0	111.1	N666 Y667 R673 F834	N666-N669 PolarHBondContact O-N 3.43Å; N666-N669 VanDerWaalsContact O-N 3.13Å; Y667-N669 VanDerWaalsContact C-N 3.29Å; Y667-N669 PolarHBondContact O-N 2.88Å; N669-R673 WeakPolarHBondContact O-CB 3.06Å; N669-R673 PolarHBondContact O-N 2.85Å; N669-F834 HydrophobicContact CB-CD1 4.09Å
670	W	95.5	Very high	90	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-52.1	177	166.5	-105.6	0	0	0	112.5	N666 Y667 N672 R673 I674 Y681 F702 F706 L786 L809 F832 F834	N666-W670 PolarHBondContact O-N 2.81Å; Y667-W670 WeakPolarHBondContact O-CB 3.14Å; Y667-W670 PolarHBondContact O-N 2.89Å; Y667-W670 VanDerWaalsContact O-N 3.17Å; W670-N672 VanDerWaalsContact C-N 3.28Å; W670-N672 PolarHBondContact O-N 3.02Å; W670-R673 WeakPolarHBondContact O-CA 3.47Å; W670-R673 WeakPolarHBondContact O-CB 3.45Å; W670-R673 PolarHBondContact O-N 2.78Å; W670-I674 HydrophobicContact CD2-CG2 4.08Å; W670-I674 HydrophobicContact CE3-CG2 4Å; W670-I674 HydrophobicContact CH2-CG2 3.88Å; W670-I674 HydrophobicContact CZ2-CD1 4.04Å; W670-I674 HydrophobicContact CZ2-CG2 3.95Å; W670-I674 HydrophobicContact CZ3-CG2 3.9Å; W670-I674 WeakPolarHBondContact O-CG1 3.5Å; W670-I674 PolarHBondContact O-N 3.1Å; W670-Y681 HydrophobicContact CH2-CE2 4.24Å; W670-Y681 HydrophobicContact CZ3-CE2 4.06Å; W670-F702 HydrophobicContact CH2-CZ 4.19Å; W670-F702 AromaticContact CZ2-CE2 3.83Å; W670-F702 HydrophobicContact CZ2-CE2 3.83Å; W670-F702 AromaticContact CZ2-CZ 3.91Å; W670-F702 HydrophobicContact CZ2-CZ 3.91Å; W670-F706 HydrophobicContact CH2-CE2 4.19Å; W670-F706 AromaticContact CH2-CZ 3.72Å; W670-F706 HydrophobicContact CH2-CZ 3.72Å; W670-F706 HydrophobicContact CZ2-CE2 4Å; W670-F706 AromaticContact CZ2-CZ 3.64Å; W670-F706 HydrophobicContact CZ2-CZ 3.64Å; W670-L786 HydrophobicContact CH2-CD2 3.64Å; W670-L786 HydrophobicContact CZ3-CD1 4.14Å; W670-L786 HydrophobicContact CZ3-CD2 3.8Å; W670-L809 HydrophobicContact CD2-CD2 4.49Å; W670-L809 HydrophobicContact CE3-CD2 4.45Å; W670-L809 HydrophobicContact CH2-CD2 4.22Å; W670-L809 HydrophobicContact CZ2-CD2 4.26Å; W670-L809 HydrophobicContact CZ3-CD2 4.32Å; W670-F832 HydrophobicContact CB-CE1 3.68Å; W670-F832 HydrophobicContact CB-CZ 3.95Å; W670-F832 AromaticContact CD1-CZ 3.63Å; W670-F832 HydrophobicContact CD2-CZ 4.26Å; W670-F832 AromaticContact CG-CE1 3.96Å; W670-F832 HydrophobicContact CG-CE1 3.96Å; W670-F832 AromaticContact CG-CZ 3.68Å; W670-F832 HydrophobicContact CG-CZ 3.68Å; W670-F834 HydrophobicContact CB-CB 4.26Å; W670-F834 HydrophobicContact CB-CD1 4.23Å; W670-F834 HydrophobicContact CB-CG 4.14Å; W670-F834 AromaticContact CE3-CD2 3.71Å; W670-F834 HydrophobicContact CE3-CD2 3.71Å; W670-F834 AromaticContact CE3-CE2 3.8Å; W670-F834 HydrophobicContact CE3-CE2 3.8Å; W670-F834 HydrophobicContact CE3-CG 4.23Å; W670-F834 HydrophobicContact CE3-CZ 4.39Å; W670-F834 HydrophobicContact CZ3-CD2 4.3Å; W670-F834 HydrophobicContact CZ3-CE2 4.15Å
671	I	94.8	Very high	89.9	Confident	20 Å²	20	53.6 Å²	53.6	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-36.2	-179.1	-164.2	64.2	0	0	0	111.7	W609 Q613 Y667 I674 S675	W609-I671 HydrophobicContact CH2-CD1 3.52Å; W609-I671 HydrophobicContact CH2-CG1 4.29Å; W609-I671 HydrophobicContact CZ2-CD1 4.38Å; W609-I671 HydrophobicContact CZ3-CD1 3.68Å; W609-I671 HydrophobicContact CZ3-CG1 4.23Å; Q613-I671 HydrophobicContact CB-CD1 3.49Å; Q613-I671 VanDerWaalsContact CB-CD1 3.49Å; Q613-I671 HydrophobicContact CG-CD1 3.41Å; Q613-I671 VanDerWaalsContact CG-CD1 3.41Å; Y667-I671 HydrophobicContact CD1-CB 4.44Å; Y667-I671 HydrophobicContact CD1-CG2 4.35Å; Y667-I671 HydrophobicContact CE1-CB 3.94Å; Y667-I671 HydrophobicContact CE1-CG1 4.28Å; Y667-I671 HydrophobicContact CE1-CG2 4.11Å; Y667-I671 WeakPolarHBondContact O-CG2 3.46Å; Y667-I671 PolarHBondContact O-N 3.11Å; I671-I674 HydrophobicContact CD1-CD1 4.36Å; I671-I674 HydrophobicContact CD1-CG1 4.31Å; I671-I674 PolarHBondContact O-N 2.82Å; I671-S675 WeakPolarHBondContact O-CB 3.28Å; I671-S675 PolarHBondContact O-N 3.08Å; I671-S675 PolarHBondContact O-OG 2.95Å; I671-S675 VanDerWaalsContact O-OG 3.07Å
672	N	92.9	Very high	89.8	Confident	105 Å²	105	54.3 Å²	54.3	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-65.9	-38.7	172.1	-78.5	-40.3	0	0	0	112.1	D668 W670 S675 V676	D668-N672 VanDerWaalsContact O-CB 3.31Å; D668-N672 WeakPolarHBondContact O-CB 3.36Å; D668-N672 VanDerWaalsContact O-CG 3.23Å; D668-N672 PolarHBondContact O-N 3.48Å; D668-N672 PolarHBondContact O-ND2 3.29Å; W670-N672 VanDerWaalsContact C-N 3.28Å; W670-N672 PolarHBondContact O-N 3.02Å; N672-S675 PolarHBondContact O-OG 3.42Å; N672-V676 WeakPolarHBondContact O-CG2 3.26Å
673	R	93.1	Very high	89.9	Confident	63 Å²	63	53.7 Å²	53.7	24%	0.238	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-38.6	176.1	174	62.5	179.1	96.6	0.9	112.9	N669 W670 S679 Y681 D807 F834	N669-R673 WeakPolarHBondContact O-CB 3.06Å; N669-R673 PolarHBondContact O-N 2.85Å; W670-R673 WeakPolarHBondContact O-CA 3.47Å; W670-R673 WeakPolarHBondContact O-CB 3.45Å; W670-R673 PolarHBondContact O-N 2.78Å; R673-S679 PolarHBondContact NH1-O 3.21Å; R673-Y681 WeakPolarHBondContact CG-OH 3.42Å; R673-D807 IonicContact CZ-OD2 4Å; R673-D807 VanDerWaalsContact CZ-OD2 3.28Å; R673-D807 IonicContact NE-OD2 3.88Å; R673-D807 PolarHBondContact NE-OD2 2.83Å; R673-D807 IonicContact NH2-OD2 3.73Å; R673-D807 PolarHBondContact NH2-OD2 3.47Å; R673-F834 HydrophobicContact CB-CE1 3.98Å; R673-F834 HydrophobicContact CB-CZ 4.17Å; R673-F834 HydrophobicContact CG-CE1 4.15Å; R673-F834 HydrophobicContact CG-CZ 3.84Å
674	I	93.6	Very high	90	Very high	3 Å²	3	51 Å²	51	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-94	-8.4	-175.3	70.5	161.5	0	0	0	114.8	W609 Q613 W670 I671 V676 Y681 F706 R709	W609-I674 HydrophobicContact CH2-CG1 4.19Å; W609-I674 HydrophobicContact CZ2-CD1 4.26Å; W609-I674 HydrophobicContact CZ2-CG1 4.24Å; Q613-I674 HydrophobicContact CG-CD1 4.16Å; W670-I674 HydrophobicContact CD2-CG2 4.08Å; W670-I674 HydrophobicContact CE3-CG2 4Å; W670-I674 HydrophobicContact CH2-CG2 3.88Å; W670-I674 HydrophobicContact CZ2-CD1 4.04Å; W670-I674 HydrophobicContact CZ2-CG2 3.95Å; W670-I674 HydrophobicContact CZ3-CG2 3.9Å; W670-I674 WeakPolarHBondContact O-CG1 3.5Å; W670-I674 PolarHBondContact O-N 3.1Å; I671-I674 HydrophobicContact CD1-CD1 4.36Å; I671-I674 HydrophobicContact CD1-CG1 4.31Å; I671-I674 PolarHBondContact O-N 2.82Å; I674-V676 VanDerWaalsContact C-N 3.35Å; I674-Y681 HydrophobicContact CG2-CE2 3.8Å; I674-F706 HydrophobicContact CD1-CZ 4.31Å; I674-F706 HydrophobicContact CG2-CE1 4.42Å; I674-F706 HydrophobicContact CG2-CZ 4.27Å; I674-R709 PolarHBondContact O-NH1 3.31Å; I674-R709 PolarHBondContact O-NH2 2.83Å
675	S	90.7	Very high	90.1	Very high	53 Å²	53	49 Å²	49	37%	0.371	29%	0.289	S	S	.	.			trans	-81.5	-11.1	174.3	63.3	0	0	0	0	113.9	I671 N672 S677	I671-S675 WeakPolarHBondContact O-CB 3.28Å; I671-S675 PolarHBondContact O-N 3.08Å; I671-S675 PolarHBondContact O-OG 2.95Å; I671-S675 VanDerWaalsContact O-OG 3.07Å; N672-S675 PolarHBondContact O-OG 3.42Å; S675-S677 PolarHBondContact O-N 3.48Å
676	V	77.7	Confident	90.1	Very high	75 Å²	75	47.3 Å²	47.3	46%	0.455	28%	0.281	S	S	.	.			trans	-67.9	98.7	-178	-175.1	0	0	0	0	111.1	N672 I674 G678 S679	N672-V676 WeakPolarHBondContact O-CG2 3.26Å; I674-V676 VanDerWaalsContact C-N 3.35Å; V676-G678 PolarHBondContact O-N 2.78Å; V676-S679 PolarHBondContact O-N 2.9Å
677	S	66.5	Low	90.2	Very high	123 Å²	123	45.5 Å²	45.5	86%	0.86	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	124.6	172.9	-63.4	0	0	0	0	111.5	S675	S675-S677 PolarHBondContact O-N 3.48Å
678	G	64.1	Low	90.2	Very high	81 Å²	81	45 Å²	45	84%	0.835	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	1	-178.1	0	0	0	0	0	115.6	V676	V676-G678 PolarHBondContact O-N 2.78Å
679	S	71.7	Confident	90.2	Very high	52 Å²	52	41.3 Å²	41.3	36%	0.364	25%	0.249	S	C	.	.			trans	-124.5	58	170.5	-165.7	0	0	0	0	113	R673 V676	R673-S679 PolarHBondContact NH1-O 3.21Å; V676-S679 PolarHBondContact O-N 2.9Å
680	P	81.9	Confident	90.3	Very high	60 Å²	60	36.8 Å²	36.8	39%	0.39	23%	0.225	S	C	.	.			trans	-63.6	153.2	164.5	31.5	-34.3	0	0	0	110.4
681	Y	94.4	Very high	90.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	23%	0.225	C	C	.	.			trans	-64.7	139.9	165.6	-65.2	-72.7	0	0	0	110	W670 R673 I674 I684 F706 C711 D785 L786 D807	W670-Y681 HydrophobicContact CH2-CE2 4.24Å; W670-Y681 HydrophobicContact CZ3-CE2 4.06Å; R673-Y681 WeakPolarHBondContact CG-OH 3.42Å; I674-Y681 HydrophobicContact CG2-CE2 3.8Å; Y681-I684 HydrophobicContact CD2-CD1 4.31Å; Y681-I684 HydrophobicContact CG-CG1 4.41Å; Y681-F706 HydrophobicContact CD2-CE1 4.07Å; Y681-F706 HydrophobicContact CE2-CE1 4.5Å; Y681-C711 VanDerWaalsContact O-CB 3.3Å; Y681-C711 WeakPolarHBondContact O-CB 3.17Å; Y681-C711 PolarHBondContact O-SG 3.36Å; Y681-D785 WeakPolarHBondContact CA-OD2 3.42Å; Y681-L786 HydrophobicContact CD1-CB 3.69Å; Y681-L786 HydrophobicContact CD2-CB 4.2Å; Y681-L786 HydrophobicContact CD2-CD2 3.81Å; Y681-L786 HydrophobicContact CE1-CB 3.77Å; Y681-L786 HydrophobicContact CE1-CD1 4.48Å; Y681-L786 HydrophobicContact CE1-CG 4.47Å; Y681-L786 HydrophobicContact CE2-CB 4.29Å; Y681-L786 HydrophobicContact CE2-CD2 3.61Å; Y681-L786 HydrophobicContact CE2-CG 4.37Å; Y681-L786 HydrophobicContact CG-CB 3.9Å; Y681-L786 HydrophobicContact CG-CD2 4.36Å; Y681-D807 HydrophobicContact CE1-CB 3.87Å; Y681-D807 WeakPolarHBondContact CE1-OD2 3.29Å; Y681-D807 PolarHBondContact OH-OD2 3.29Å
682	R	94.3	Very high	90.5	Very high	123 Å²	123	35.8 Å²	35.8	46%	0.464	22%	0.22	S	C	.	.	S	Bend	trans	-71.3	-48.5	175.6	170.6	-179.2	53.9	-145	-14.5	111.4	K712 Q783 D785	R682-K712 WeakPolarHBondContact O-CB 3.44Å; R682-K712 PolarHBondContact O-N 3Å; R682-Q783 VanDerWaalsContact CZ-O 3.23Å; R682-Q783 PolarHBondContact NE-O 3.45Å; R682-Q783 PolarHBondContact NH2-O 3.48Å; R682-D785 VanDerWaalsContact N-CG 3.31Å; R682-D785 PolarHBondContact N-OD1 3.08Å; R682-D785 PolarHBondContact N-OD2 3.18Å
683	C	98.1	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	118.8	-176.3	-172.6	0	0	0	0	111.7	K712 E782 V784 D785 L786	C683-K712 WeakPolarHBondContact CA-O 3.32Å; C683-K712 HydrophobicContact CB-CB 4.03Å; C683-E782 HydrophobicContact CB-CB 4.2Å; C683-V784 HydrophobicContact CB-CG2 4.38Å; C683-V784 VanDerWaalsContact O-CA 3.31Å; C683-V784 WeakPolarHBondContact O-CA 2.98Å; C683-D785 PolarHBondContact N-OD1 2.95Å; C683-D785 PolarHBondContact O-N 3.26Å; C683-D785 VanDerWaalsContact O-OD1 3.05Å; C683-L786 PolarHBondContact O-N 3.17Å
684	I	98.5	Very high	90.8	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.9	-179	-53.2	177.2	0	0	0	108.9	Y681 I686 F706 C711 K712 V713 I714 L786 V788	Y681-I684 HydrophobicContact CD2-CD1 4.31Å; Y681-I684 HydrophobicContact CG-CG1 4.41Å; I684-I686 HydrophobicContact CG2-CD1 4.41Å; I684-I686 HydrophobicContact CG2-CG1 3.86Å; I684-F706 HydrophobicContact CD1-CB 3.57Å; I684-F706 HydrophobicContact CD1-CD1 3.46Å; I684-F706 VanDerWaalsContact CD1-CD1 3.46Å; I684-F706 HydrophobicContact CD1-CD2 3.65Å; I684-F706 HydrophobicContact CD1-CE1 4.01Å; I684-F706 HydrophobicContact CD1-CE2 4.18Å; I684-F706 HydrophobicContact CD1-CG 3.25Å; I684-F706 HydrophobicContact CD1-CZ 4.34Å; I684-C711 HydrophobicContact CD1-CB 4.43Å; I684-K712 PolarHBondContact N-O 3.38Å; I684-V713 CarbonylContact O-C 3.57Å; I684-V713 WeakPolarHBondContact O-CA 3.4Å; I684-I714 PolarHBondContact O-N 3.31Å; I684-L786 WeakPolarHBondContact CA-O 3.33Å; I684-L786 HydrophobicContact CB-CD2 4.5Å; I684-L786 HydrophobicContact CD1-CD2 4.12Å; I684-L786 HydrophobicContact CG1-CB 4.2Å; I684-L786 HydrophobicContact CG1-CD2 4.09Å; I684-L786 HydrophobicContact CG2-CB 4.25Å; I684-L786 HydrophobicContact CG2-CD2 3.74Å; I684-L786 HydrophobicContact CG2-CG 4Å; I684-V788 HydrophobicContact CG2-CG2 3.87Å
685	L	98.8	Very high	91	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117	172	174.4	58.1	0	0	0	110.2	F480 F687 I714 T716 L775 A779 V784 L786 V788	F480-L685 HydrophobicContact CE1-CD2 4.38Å; F480-L685 HydrophobicContact CE2-CD2 4.16Å; F480-L685 HydrophobicContact CZ-CD2 3.59Å; L685-F687 HydrophobicContact CD1-CE2 4.48Å; L685-F687 HydrophobicContact CD2-CE2 3.57Å; L685-F687 HydrophobicContact CD2-CZ 3.78Å; L685-F687 HydrophobicContact CG-CD2 4.22Å; L685-F687 HydrophobicContact CG-CE2 3.7Å; L685-F687 HydrophobicContact CG-CZ 4.23Å; L685-I714 WeakPolarHBondContact CA-O 3.47Å; L685-I714 HydrophobicContact CD1-CB 3.84Å; L685-I714 HydrophobicContact CD1-CG2 3.61Å; L685-T716 HydrophobicContact CD1-CG2 3.72Å; L685-L775 HydrophobicContact CD1-CD1 3.67Å; L685-L775 HydrophobicContact CD2-CD1 4.21Å; L685-A779 HydrophobicContact CD2-CB 4.41Å; L685-V784 HydrophobicContact CB-CG1 3.77Å; L685-V784 HydrophobicContact CB-CG2 4Å; L685-L786 PolarHBondContact N-O 2.81Å; L685-V788 PolarHBondContact O-N 3.15Å
686	I	98.8	Very high	91.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.8	-178.8	-50.7	179.8	0	0	0	109.8	I684 V699 F702 A703 V713 I714 T716 V788	I684-I686 HydrophobicContact CG2-CD1 4.41Å; I684-I686 HydrophobicContact CG2-CG1 3.86Å; I686-V699 HydrophobicContact CG2-CG1 3.77Å; I686-F702 HydrophobicContact CD1-CD1 4.09Å; I686-F702 HydrophobicContact CD1-CE1 4.13Å; I686-A703 HydrophobicContact CD1-CB 4.08Å; I686-V713 HydrophobicContact CD1-CG1 3.67Å; I686-V713 HydrophobicContact CG1-CG1 4.1Å; I686-I714 PolarHBondContact N-O 2.98Å; I686-T716 WeakPolarHBondContact O-CG2 3.46Å; I686-T716 PolarHBondContact O-N 3Å; I686-V788 HydrophobicContact CB-CB 4.44Å; I686-V788 HydrophobicContact CG1-CB 4.19Å; I686-V788 HydrophobicContact CG1-CG2 4.31Å; I686-V788 HydrophobicContact CG2-CB 4.29Å; I686-V788 HydrophobicContact CG2-CG1 4.37Å
687	F	98.7	Very high	92.3	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.3	169.4	-67.6	-94.7	0	0	0	109.2	L685 T716 N759 L766 F768 L771 L775 I787 V788 E790	L685-F687 HydrophobicContact CD1-CE2 4.48Å; L685-F687 HydrophobicContact CD2-CE2 3.57Å; L685-F687 HydrophobicContact CD2-CZ 3.78Å; L685-F687 HydrophobicContact CG-CD2 4.22Å; L685-F687 HydrophobicContact CG-CE2 3.7Å; L685-F687 HydrophobicContact CG-CZ 4.23Å; F687-T716 HydrophobicContact CB-CG2 4.3Å; F687-T716 HydrophobicContact CD1-CG2 3.35Å; F687-T716 HydrophobicContact CD2-CG2 4.29Å; F687-T716 HydrophobicContact CE1-CG2 3.61Å; F687-T716 HydrophobicContact CE2-CG2 4.5Å; F687-T716 HydrophobicContact CG-CG2 3.72Å; F687-T716 HydrophobicContact CZ-CG2 4.19Å; F687-N759 HydrophobicContact CD1-CB 4.42Å; F687-N759 HydrophobicContact CE1-CB 4.38Å; F687-L766 HydrophobicContact CB-CD2 4Å; F687-L766 HydrophobicContact CD1-CD1 3.7Å; F687-L766 HydrophobicContact CD1-CD2 3.46Å; F687-L766 VanDerWaalsContact CD1-CD2 3.46Å; F687-L766 HydrophobicContact CD1-CG 4.24Å; F687-L766 HydrophobicContact CD2-CD2 4.13Å; F687-L766 HydrophobicContact CE1-CD1 3.71Å; F687-L766 HydrophobicContact CE1-CD2 3.9Å; F687-L766 HydrophobicContact CE1-CG 4.42Å; F687-L766 HydrophobicContact CE2-CD2 4.49Å; F687-L766 HydrophobicContact CG-CD2 3.6Å; F687-L766 HydrophobicContact CZ-CD2 4.39Å; F687-F768 HydrophobicContact CD2-CZ 4.21Å; F687-F768 HydrophobicContact CE1-CE1 4.46Å; F687-F768 HydrophobicContact CE1-CZ 4.49Å; F687-F768 AromaticContact CE2-CE1 3.67Å; F687-F768 HydrophobicContact CE2-CE1 3.67Å; F687-F768 AromaticContact CE2-CZ 3.64Å; F687-F768 HydrophobicContact CE2-CZ 3.64Å; F687-F768 HydrophobicContact CZ-CD1 4.49Å; F687-F768 AromaticContact CZ-CE1 3.56Å; F687-F768 HydrophobicContact CZ-CE1 3.56Å; F687-F768 AromaticContact CZ-CZ 3.81Å; F687-F768 HydrophobicContact CZ-CZ 3.81Å; F687-L771 HydrophobicContact CE1-CD1 4.15Å; F687-L771 HydrophobicContact CE1-CD2 4.26Å; F687-L771 HydrophobicContact CZ-CD1 3.9Å; F687-L775 HydrophobicContact CE1-CD2 3.91Å; F687-L775 HydrophobicContact CZ-CD2 4.17Å; F687-I787 HydrophobicContact CD2-CG2 4.24Å; F687-I787 HydrophobicContact CE2-CG2 4.03Å; F687-V788 PolarHBondContact N-O 2.96Å; F687-E790 PolarHBondContact O-N 3.09Å
688	C	98.2	Very high	93.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.106	C	C	.	.			trans	-85.2	139.2	-174.5	-49.5	0	0	0	0	112.2	I695 T716 I726 R794	C688-I695 HydrophobicContact CB-CD1 3.97Å; C688-T716 PolarHBondContact N-O 3.12Å; C688-I726 HydrophobicContact CB-CG2 3.75Å; C688-R794 PolarHBondContact O-NE 2.96Å; C688-R794 PolarHBondContact O-NH2 3.42Å
689	D	97.2	Very high	95.5	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	7%	0.067	C	C	.	.			trans	-86.3	-91.2	176	-149.2	45.9	0	0	0	110.9	N624 D725 I726 E790 G791 R794	N624-D689 PolarHBondContact ND2-OD2 3.06Å; D689-D725 VanDerWaalsContact O-CA 3.28Å; D689-D725 WeakPolarHBondContact O-CA 3.16Å; D689-I726 PolarHBondContact O-N 2.86Å; D689-I726 VanDerWaalsContact O-N 3.16Å; D689-E790 VanDerWaalsContact CB-OE1 3.25Å; D689-E790 WeakPolarHBondContact CB-OE1 3.23Å; D689-E790 WeakPolarHBondContact CB-OE2 3.4Å; D689-E790 PolarHBondContact N-OE2 3.48Å; D689-G791 VanDerWaalsContact OD2-CA 3.23Å; D689-G791 WeakPolarHBondContact OD2-CA 3.36Å; D689-R794 VanDerWaalsContact OD1-CD 3.29Å; D689-R794 WeakPolarHBondContact OD1-CD 3.28Å; D689-R794 IonicContact OD1-CZ 2.79Å; D689-R794 VanDerWaalsContact OD1-CZ 3.29Å; D689-R794 IonicContact OD1-NE 2.9Å; D689-R794 IonicContact OD1-NH1 2.82Å; D689-R794 PolarHBondContact OD1-NH1 2.9Å
690	N	97.7	Very high	96.7	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.011	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-95	159.1	-163.5	-53	-89.6	0	0	0	114.2	N624 F626 D694 I695 N724	N624-N690 PolarHBondContact ND2-ND2 3.37Å; N624-N690 VanDerWaalsContact ND2-ND2 3.18Å; F626-N690 WeakPolarHBondContact O-CB 3.49Å; F626-N690 PolarHBondContact O-OD1 2.77Å; N690-D694 HydrophobicContact CB-CB 3.76Å; N690-D694 VanDerWaalsContact CB-OD2 3.26Å; N690-D694 WeakPolarHBondContact CB-OD2 3.12Å; N690-D694 PolarHBondContact N-OD2 2.91Å; N690-D694 VanDerWaalsContact N-OD2 3.1Å; N690-D694 PolarHBondContact ND2-OD2 3.2Å; N690-I695 WeakPolarHBondContact O-CB 3.28Å; N690-I695 WeakPolarHBondContact O-CG2 3.29Å; N690-I695 PolarHBondContact O-N 3.44Å; N690-N724 PolarHBondContact OD1-ND2 3.12Å
691	S	97.2	Very high	97.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	176	164.3	-67.2	0	0	0	0	112.7	K586 N724 I726	K586-S691 VanDerWaalsContact CD-OG 3.23Å; K586-S691 WeakPolarHBondContact CD-OG 3.41Å; S691-N724 WeakPolarHBondContact CB-O 3.32Å; S691-N724 PolarHBondContact N-O 3.15Å; S691-N724 PolarHBondContact OG-O 3.07Å; S691-I726 WeakPolarHBondContact OG-CA 3.28Å; S691-I726 WeakPolarHBondContact OG-CD1 3.38Å
692	G	95.5	Very high	97.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-132.6	172.8	0	0	0	0	0	112.5	N590 D694 I696	N590-G692 WeakPolarHBondContact OD1-CA 3.3Å; N590-G692 PolarHBondContact OD1-N 3.3Å; G692-D694 PolarHBondContact O-N 3.05Å; G692-I696 WeakPolarHBondContact O-CB 3.41Å; G692-I696 PolarHBondContact O-N 3.35Å; G692-I696 VanDerWaalsContact O-N 3.08Å
693	A	96.1	Very high	97.9	Very high	5 Å²	5	1.8 Å²	1.8	4%	0.041	1%	0.011	C	C	.	.	H	α-helix	trans	-64.9	-23.5	-175.7	0	0	0	0	0	113.4	A593 F626 F650 L697 G698	A593-A693 HydrophobicContact CB-CB 4.41Å; F626-A693 HydrophobicContact CD1-CB 3.96Å; F626-A693 HydrophobicContact CD2-CB 3.82Å; F626-A693 HydrophobicContact CE1-CB 3.73Å; F626-A693 HydrophobicContact CE2-CB 3.61Å; F626-A693 HydrophobicContact CG-CB 4Å; F626-A693 HydrophobicContact CZ-CB 3.54Å; F650-A693 HydrophobicContact CD2-CB 3.78Å; F650-A693 HydrophobicContact CE2-CB 4.4Å; A693-L697 HydrophobicContact CB-CD1 4.04Å; A693-L697 CarbonylContact O-C 3.41Å; A693-L697 WeakPolarHBondContact O-CA 3.25Å; A693-L697 VanDerWaalsContact O-CB 3.27Å; A693-L697 WeakPolarHBondContact O-CB 3.27Å; A693-L697 PolarHBondContact O-N 2.92Å; A693-G698 PolarHBondContact O-N 3.29Å
694	D	97.6	Very high	97.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	I	π-helix	trans	-63.5	-68.6	176.8	-161.7	5	0	0	0	111.2	G623 N624 N690 G692 I696 G698 V699	G623-D694 WeakPolarHBondContact CA-OD1 3.49Å; G623-D694 WeakPolarHBondContact O-CB 3.39Å; N624-D694 PolarHBondContact N-OD1 3.44Å; N690-D694 HydrophobicContact CB-CB 3.76Å; N690-D694 VanDerWaalsContact CB-OD2 3.26Å; N690-D694 WeakPolarHBondContact CB-OD2 3.12Å; N690-D694 PolarHBondContact N-OD2 2.91Å; N690-D694 VanDerWaalsContact N-OD2 3.1Å; N690-D694 PolarHBondContact ND2-OD2 3.2Å; G692-D694 PolarHBondContact O-N 3.05Å; D694-I696 PolarHBondContact O-N 3.02Å; D694-G698 CarbonylContact O-C 3.49Å; D694-G698 WeakPolarHBondContact O-CA 3.47Å; D694-G698 PolarHBondContact O-N 3.22Å; D694-V699 PolarHBondContact O-N 2.99Å
695	I	98.2	Very high	97.8	Very high	4 Å²	4	3.1 Å²	3.1	2%	0.021	2%	0.017	C	C	.	.	I	π-helix	trans	-60.7	-38.8	178.5	-173.3	60.1	0	0	0	113.6	C688 N690 V699 L700 M715 I726 L731	C688-I695 HydrophobicContact CB-CD1 3.97Å; N690-I695 WeakPolarHBondContact O-CB 3.28Å; N690-I695 WeakPolarHBondContact O-CG2 3.29Å; N690-I695 PolarHBondContact O-N 3.44Å; I695-V699 HydrophobicContact CD1-CB 4.08Å; I695-V699 HydrophobicContact CD1-CG1 4.21Å; I695-L700 VanDerWaalsContact O-CB 3.24Å; I695-L700 WeakPolarHBondContact O-CB 3.27Å; I695-L700 PolarHBondContact O-N 3.5Å; I695-M715 HydrophobicContact CD1-CE 3.44Å; I695-M715 VanDerWaalsContact CD1-CE 3.44Å; I695-I726 HydrophobicContact CG1-CG1 4.38Å; I695-I726 HydrophobicContact CG2-CD1 4.35Å; I695-L731 HydrophobicContact CD1-CD1 3.87Å; I695-L731 HydrophobicContact CG1-CD1 3.86Å
696	I	97.7	Very high	97.7	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.01	2%	0.017	C	C	.	.	I	π-helix	trans	-87.1	-38	-174.3	-68.8	152	0	0	0	113.7	N590 A593 L594 L597 G692 D694 P701 L734 I738	N590-I696 HydrophobicContact CB-CD1 4.2Å; A593-I696 HydrophobicContact CB-CB 3.89Å; A593-I696 HydrophobicContact CB-CD1 3.87Å; A593-I696 HydrophobicContact CB-CG2 3.94Å; L594-I696 HydrophobicContact CD2-CD1 4.35Å; L594-I696 HydrophobicContact CG-CD1 4.05Å; L597-I696 HydrophobicContact CB-CG2 4.1Å; L597-I696 HydrophobicContact CD1-CG2 4.3Å; L597-I696 WeakPolarHBondContact CD1-O 3.44Å; L597-I696 HydrophobicContact CD2-CG2 4.26Å; L597-I696 HydrophobicContact CG-CG2 4.45Å; G692-I696 WeakPolarHBondContact O-CB 3.41Å; G692-I696 PolarHBondContact O-N 3.35Å; G692-I696 VanDerWaalsContact O-N 3.08Å; D694-I696 PolarHBondContact O-N 3.02Å; I696-P701 WeakPolarHBondContact O-CD 3.41Å; I696-L734 HydrophobicContact CD1-CD1 4.29Å; I696-L734 HydrophobicContact CD1-CD2 4.37Å; I696-I738 HydrophobicContact CG1-CD1 4.47Å
697	L	97.8	Very high	97.6	Very high	7 Å²	7	3.3 Å²	3.3	4%	0.037	2%	0.018	C	C	.	.	I	π-helix	trans	-109.7	-18	-172.9	-55	176.2	0	0	0	114	A593 A596 L597 R600 F650 A693	A593-L697 HydrophobicContact CB-CD1 4.21Å; A593-L697 HydrophobicContact CB-CG 4.21Å; A596-L697 HydrophobicContact CB-CD1 4.22Å; A596-L697 HydrophobicContact CB-CD2 4.4Å; L597-L697 HydrophobicContact CB-CD2 4.22Å; L597-L697 HydrophobicContact CD1-CD2 4.36Å; R600-L697 HydrophobicContact CB-CD2 4.03Å; R600-L697 HydrophobicContact CG-CD2 4.38Å; F650-L697 HydrophobicContact CB-CD1 3.78Å; F650-L697 HydrophobicContact CD1-CB 4.12Å; F650-L697 HydrophobicContact CD1-CD1 3.99Å; F650-L697 HydrophobicContact CD2-CB 4.07Å; F650-L697 HydrophobicContact CD2-CD1 4.06Å; F650-L697 HydrophobicContact CE1-CB 3.88Å; F650-L697 HydrophobicContact CE2-CB 3.8Å; F650-L697 HydrophobicContact CG-CB 4.2Å; F650-L697 HydrophobicContact CG-CD1 3.68Å; F650-L697 HydrophobicContact CZ-CB 3.69Å; A693-L697 HydrophobicContact CB-CD1 4.04Å; A693-L697 CarbonylContact O-C 3.41Å; A693-L697 WeakPolarHBondContact O-CA 3.25Å; A693-L697 VanDerWaalsContact O-CB 3.27Å; A693-L697 WeakPolarHBondContact O-CB 3.27Å; A693-L697 PolarHBondContact O-N 2.92Å
698	G	98	Very high	97.4	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.01	4%	0.042	C	C	.	.	I	π-helix	trans	-99.5	-68.5	170.7	0	0	0	0	0	112.6	G619 A693 D694 F702	G619-G698 WeakPolarHBondContact O-CA 3.29Å; A693-G698 PolarHBondContact O-N 3.29Å; D694-G698 CarbonylContact O-C 3.49Å; D694-G698 WeakPolarHBondContact O-CA 3.47Å; D694-G698 PolarHBondContact O-N 3.22Å; G698-F702 PolarHBondContact O-N 2.9Å
699	V	98.5	Very high	97.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-69.4	-45.1	-168	-172.3	0	0	0	0	112.8	L620 I686 D694 I695 F702 A703 M715 E790	L620-V699 HydrophobicContact CD2-CB 4.15Å; L620-V699 HydrophobicContact CD2-CG2 3.77Å; I686-V699 HydrophobicContact CG2-CG1 3.77Å; D694-V699 PolarHBondContact O-N 2.99Å; I695-V699 HydrophobicContact CD1-CB 4.08Å; I695-V699 HydrophobicContact CD1-CG1 4.21Å; V699-F702 WeakPolarHBondContact O-CB 3.38Å; V699-F702 PolarHBondContact O-N 2.89Å; V699-A703 PolarHBondContact O-N 2.92Å; V699-M715 HydrophobicContact CG1-CE 4.03Å; V699-E790 HydrophobicContact CG2-CG 4.39Å
700	L	98.6	Very high	96.9	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-66.4	-45.6	-177.8	-176	61.9	0	0	0	113.4	I695 F702 A703 M704 M715 L735 I738 I745	I695-L700 VanDerWaalsContact O-CB 3.24Å; I695-L700 WeakPolarHBondContact O-CB 3.27Å; I695-L700 PolarHBondContact O-N 3.5Å; L700-F702 VanDerWaalsContact C-N 3.26Å; L700-F702 PolarHBondContact O-N 3.22Å; L700-A703 WeakPolarHBondContact O-CB 3.36Å; L700-A703 PolarHBondContact O-N 3.05Å; L700-A703 VanDerWaalsContact O-N 3.13Å; L700-M704 HydrophobicContact CD1-CG 4.45Å; L700-M704 HydrophobicContact CG-CG 4.46Å; L700-M704 HydrophobicContact CG-SD 4.19Å; L700-M704 VanDerWaalsContact O-CG 3.32Å; L700-M704 WeakPolarHBondContact O-CG 3.43Å; L700-M704 PolarHBondContact O-N 3.18Å; L700-M715 HydrophobicContact CD1-CE 4.48Å; L700-M715 HydrophobicContact CD1-SD 4.17Å; L700-L735 HydrophobicContact CD1-CD2 3.65Å; L700-L735 HydrophobicContact CD2-CD2 3.78Å; L700-L735 HydrophobicContact CG-CD2 4.36Å; L700-I738 HydrophobicContact CD2-CD1 3.52Å; L700-I738 HydrophobicContact CD2-CG2 4.15Å; L700-I745 HydrophobicContact CD1-CD1 3.68Å; L700-I745 HydrophobicContact CD1-CG1 4.5Å; L700-I745 HydrophobicContact CG-CD1 4.4Å
701	P	98.5	Very high	96.8	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.026	8%	0.078	C	C	.	.	H	α-helix	trans	-60.4	-34.3	173.6	-27.8	38	0	0	0	113.3	L597 L601 L604 L616 I696 M704 E705	L597-P701 HydrophobicContact CD1-CG 4.4Å; L601-P701 HydrophobicContact CD2-CB 4.19Å; L601-P701 HydrophobicContact CD2-CG 4.23Å; L604-P701 HydrophobicContact CD1-CB 3.73Å; L604-P701 HydrophobicContact CD1-CG 4.49Å; L616-P701 HydrophobicContact CD2-CB 3.78Å; L616-P701 WeakPolarHBondContact CD2-O 3.25Å; I696-P701 WeakPolarHBondContact O-CD 3.41Å; P701-M704 PolarHBondContact O-N 2.88Å; P701-E705 PolarHBondContact O-N 3.3Å; P701-E705 VanDerWaalsContact O-N 3.14Å
702	F	98.3	Very high	96.8	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.013	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-43.2	173	171.7	-92.4	0	0	0	111.9	I617 L620 W670 I686 G698 V699 L700 E705 F706 V788 L809	I617-F702 HydrophobicContact CD1-CD2 3.96Å; I617-F702 HydrophobicContact CD1-CE2 3.72Å; L620-F702 HydrophobicContact CD1-CB 4.19Å; L620-F702 HydrophobicContact CD1-CD1 4.27Å; L620-F702 HydrophobicContact CD1-CD2 3.65Å; L620-F702 HydrophobicContact CD1-CE2 4.01Å; L620-F702 HydrophobicContact CD1-CG 3.79Å; L620-F702 HydrophobicContact CD1-CZ 4.47Å; L620-F702 HydrophobicContact CD2-CB 4.22Å; L620-F702 HydrophobicContact CD2-CG 4.43Å; L620-F702 HydrophobicContact CG-CB 4.22Å; L620-F702 HydrophobicContact CG-CG 4.36Å; W670-F702 HydrophobicContact CH2-CZ 4.19Å; W670-F702 AromaticContact CZ2-CE2 3.83Å; W670-F702 HydrophobicContact CZ2-CE2 3.83Å; W670-F702 AromaticContact CZ2-CZ 3.91Å; W670-F702 HydrophobicContact CZ2-CZ 3.91Å; I686-F702 HydrophobicContact CD1-CD1 4.09Å; I686-F702 HydrophobicContact CD1-CE1 4.13Å; G698-F702 PolarHBondContact O-N 2.9Å; V699-F702 WeakPolarHBondContact O-CB 3.38Å; V699-F702 PolarHBondContact O-N 2.89Å; L700-F702 VanDerWaalsContact C-N 3.26Å; L700-F702 PolarHBondContact O-N 3.22Å; F702-E705 PolarHBondContact O-N 3.02Å; F702-F706 HydrophobicContact CD2-CE2 4.41Å; F702-F706 HydrophobicContact CE1-CD2 4.37Å; F702-F706 HydrophobicContact CE1-CE2 4.14Å; F702-F706 AromaticContact CE2-CE2 3.83Å; F702-F706 HydrophobicContact CE2-CE2 3.83Å; F702-F706 HydrophobicContact CZ-CD2 4.35Å; F702-F706 AromaticContact CZ-CE2 3.67Å; F702-F706 HydrophobicContact CZ-CE2 3.67Å; F702-F706 WeakPolarHBondContact O-CD2 3.47Å; F702-V788 HydrophobicContact CE1-CG1 4.49Å; F702-V788 HydrophobicContact CE1-CG2 4.17Å; F702-V788 HydrophobicContact CZ-CG2 4.37Å; F702-L809 HydrophobicContact CZ-CD2 4.3Å
703	A	98.5	Very high	97	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-41.9	172.3	0	0	0	0	0	111.9	I686 V699 L700 E705 F706 L707 V713 M715	I686-A703 HydrophobicContact CD1-CB 4.08Å; V699-A703 PolarHBondContact O-N 2.92Å; L700-A703 WeakPolarHBondContact O-CB 3.36Å; L700-A703 PolarHBondContact O-N 3.05Å; L700-A703 VanDerWaalsContact O-N 3.13Å; A703-E705 VanDerWaalsContact C-N 3.34Å; A703-E705 PolarHBondContact O-N 3.02Å; A703-F706 PolarHBondContact O-N 3.36Å; A703-F706 VanDerWaalsContact O-N 3.09Å; A703-L707 WeakPolarHBondContact O-CG 3.5Å; A703-L707 PolarHBondContact O-N 3.44Å; A703-V713 HydrophobicContact CB-CG1 4.13Å; A703-M715 HydrophobicContact CB-SD 4.22Å
704	M	98	Very high	97.1	Very high	14 Å²	14	15.4 Å²	15.4	7%	0.069	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-37	179.1	-73.7	173.6	73.4	0	0	113.3	L601 L700 P701 F706 L707 S708 E742 L744 I745	L601-M704 HydrophobicContact CD1-CE 3.89Å; L601-M704 HydrophobicContact CD1-SD 4.24Å; L601-M704 HydrophobicContact CD2-CE 3.89Å; L601-M704 HydrophobicContact CD2-SD 3.85Å; L700-M704 HydrophobicContact CD1-CG 4.45Å; L700-M704 HydrophobicContact CG-CG 4.46Å; L700-M704 HydrophobicContact CG-SD 4.19Å; L700-M704 VanDerWaalsContact O-CG 3.32Å; L700-M704 WeakPolarHBondContact O-CG 3.43Å; L700-M704 PolarHBondContact O-N 3.18Å; P701-M704 PolarHBondContact O-N 2.88Å; M704-F706 VanDerWaalsContact C-N 3.27Å; M704-F706 PolarHBondContact O-N 3.17Å; M704-L707 PolarHBondContact O-N 2.9Å; M704-S708 WeakPolarHBondContact O-CB 3.37Å; M704-S708 PolarHBondContact O-N 3.06Å; M704-E742 HydrophobicContact CE-CG 3.57Å; M704-E742 HydrophobicContact SD-CG 4.47Å; M704-L744 HydrophobicContact CB-CD2 3.99Å; M704-L744 HydrophobicContact CE-CB 4.36Å; M704-L744 HydrophobicContact CE-CD2 4.07Å; M704-L744 HydrophobicContact CG-CD2 4.22Å; M704-I745 HydrophobicContact CG-CD1 3.64Å; M704-I745 HydrophobicContact CG-CG1 4.39Å; M704-I745 HydrophobicContact SD-CD1 4.08Å; M704-I745 HydrophobicContact SD-CG1 4.22Å
705	E	96.4	Very high	97.2	Very high	13 Å²	13	15.4 Å²	15.4	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-57	-42.1	173.2	178.9	70.2	-165.2	0	0	111.2	W609 R612 Q613 L616 P701 F702 A703 S708 R709	W609-E705 PolarHBondContact NE1-OE1 3.37Å; W609-E705 VanDerWaalsContact NE1-OE1 3.14Å; R612-E705 IonicContact CZ-OE1 3.37Å; R612-E705 IonicContact CZ-OE2 3.48Å; R612-E705 IonicContact NE-OE1 2.75Å; R612-E705 IonicContact NE-OE2 3.28Å; R612-E705 PolarHBondContact NE-OE2 3.09Å; R612-E705 VanDerWaalsContact NH2-CD 3.29Å; R612-E705 IonicContact NH2-OE1 2.96Å; R612-E705 PolarHBondContact NH2-OE1 3.18Å; R612-E705 IonicContact NH2-OE2 3.35Å; R612-E705 PolarHBondContact NH2-OE2 3.41Å; Q613-E705 VanDerWaalsContact NE2-CD 3.33Å; Q613-E705 PolarHBondContact NE2-OE1 2.91Å; L616-E705 HydrophobicContact CD1-CB 3.61Å; L616-E705 HydrophobicContact CD1-CG 3.78Å; P701-E705 PolarHBondContact O-N 3.3Å; P701-E705 VanDerWaalsContact O-N 3.14Å; F702-E705 PolarHBondContact O-N 3.02Å; A703-E705 VanDerWaalsContact C-N 3.34Å; A703-E705 PolarHBondContact O-N 3.02Å; E705-S708 PolarHBondContact O-OG 3.12Å; E705-R709 WeakPolarHBondContact O-CD 3.43Å; E705-R709 VanDerWaalsContact O-CG 3.25Å; E705-R709 WeakPolarHBondContact O-CG 3.4Å
706	F	96.1	Very high	97.2	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.013	9%	0.09	C	C	.	.	H	α-helix	trans	-77.2	-37.8	177.9	-72.7	-73.5	0	0	0	113.4	W670 I674 Y681 I684 F702 A703 M704 S708 R709 G710 C711 V713	W670-F706 HydrophobicContact CH2-CE2 4.19Å; W670-F706 AromaticContact CH2-CZ 3.72Å; W670-F706 HydrophobicContact CH2-CZ 3.72Å; W670-F706 HydrophobicContact CZ2-CE2 4Å; W670-F706 AromaticContact CZ2-CZ 3.64Å; W670-F706 HydrophobicContact CZ2-CZ 3.64Å; I674-F706 HydrophobicContact CD1-CZ 4.31Å; I674-F706 HydrophobicContact CG2-CE1 4.42Å; I674-F706 HydrophobicContact CG2-CZ 4.27Å; Y681-F706 HydrophobicContact CD2-CE1 4.07Å; Y681-F706 HydrophobicContact CE2-CE1 4.5Å; I684-F706 HydrophobicContact CD1-CB 3.57Å; I684-F706 HydrophobicContact CD1-CD1 3.46Å; I684-F706 VanDerWaalsContact CD1-CD1 3.46Å; I684-F706 HydrophobicContact CD1-CD2 3.65Å; I684-F706 HydrophobicContact CD1-CE1 4.01Å; I684-F706 HydrophobicContact CD1-CE2 4.18Å; I684-F706 HydrophobicContact CD1-CG 3.25Å; I684-F706 HydrophobicContact CD1-CZ 4.34Å; F702-F706 HydrophobicContact CD2-CE2 4.41Å; F702-F706 HydrophobicContact CE1-CD2 4.37Å; F702-F706 HydrophobicContact CE1-CE2 4.14Å; F702-F706 AromaticContact CE2-CE2 3.83Å; F702-F706 HydrophobicContact CE2-CE2 3.83Å; F702-F706 HydrophobicContact CZ-CD2 4.35Å; F702-F706 AromaticContact CZ-CE2 3.67Å; F702-F706 HydrophobicContact CZ-CE2 3.67Å; F702-F706 WeakPolarHBondContact O-CD2 3.47Å; A703-F706 PolarHBondContact O-N 3.36Å; A703-F706 VanDerWaalsContact O-N 3.09Å; M704-F706 VanDerWaalsContact C-N 3.27Å; M704-F706 PolarHBondContact O-N 3.17Å; F706-S708 VanDerWaalsContact C-N 3.29Å; F706-S708 PolarHBondContact O-N 2.75Å; F706-R709 WeakPolarHBondContact O-CA 3.15Å; F706-R709 WeakPolarHBondContact O-CB 3.36Å; F706-R709 PolarHBondContact O-N 2.84Å; F706-G710 PolarHBondContact O-N 3.08Å; F706-C711 HydrophobicContact CB-CB 3.97Å; F706-C711 VanDerWaalsContact O-CB 3.31Å; F706-C711 WeakPolarHBondContact O-CB 3.49Å; F706-C711 PolarHBondContact O-N 2.66Å; F706-C711 VanDerWaalsContact O-N 3.09Å; F706-C711 PolarHBondContact O-SG 2.77Å; F706-C711 VanDerWaalsContact O-SG 3.36Å; F706-V713 HydrophobicContact CB-CG2 4.31Å
707	L	97	Very high	97.2	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-58.8	-40.9	172	-66.1	171.7	0	0	0	111.3	A703 M704 R709 G710 V713 L744 I745 Q753 L754	A703-L707 WeakPolarHBondContact O-CG 3.5Å; A703-L707 PolarHBondContact O-N 3.44Å; M704-L707 PolarHBondContact O-N 2.9Å; L707-R709 PolarHBondContact O-N 2.88Å; L707-R709 VanDerWaalsContact O-N 3.16Å; L707-G710 PolarHBondContact O-N 2.64Å; L707-G710 VanDerWaalsContact O-N 3.11Å; L707-V713 HydrophobicContact CD2-CB 4.08Å; L707-V713 HydrophobicContact CD2-CG2 3.78Å; L707-V713 HydrophobicContact CG-CG2 3.99Å; L707-L744 HydrophobicContact CB-CD1 4.34Å; L707-L744 HydrophobicContact CB-CD2 4.44Å; L707-L744 HydrophobicContact CB-CG 4.44Å; L707-I745 HydrophobicContact CD1-CD1 4.06Å; L707-Q753 HydrophobicContact CD2-CB 4.36Å; L707-Q753 HydrophobicContact CD2-CG 3.76Å; L707-Q753 PolarHBondContact O-NE2 2.92Å; L707-L754 HydrophobicContact CD1-CB 4.17Å; L707-L754 HydrophobicContact CD1-CD1 4.5Å; L707-L754 HydrophobicContact CD1-CD2 4.24Å; L707-L754 HydrophobicContact CD2-CB 4.07Å
708	S	94.2	Very high	97.2	Very high	72 Å²	72	14.8 Å²	14.8	50%	0.503	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.2	176.4	81.3	0	0	0	0	113.9	M704 E705 F706	M704-S708 WeakPolarHBondContact O-CB 3.37Å; M704-S708 PolarHBondContact O-N 3.06Å; E705-S708 PolarHBondContact O-OG 3.12Å; F706-S708 VanDerWaalsContact C-N 3.29Å; F706-S708 PolarHBondContact O-N 2.75Å
709	R	91.8	Very high	97	Very high	70 Å²	70	15 Å²	15	26%	0.264	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.4	178.9	-65.9	169.1	62.2	163.9	5.7	112.9	I674 E705 F706 L707	I674-R709 PolarHBondContact O-NH1 3.31Å; I674-R709 PolarHBondContact O-NH2 2.83Å; E705-R709 WeakPolarHBondContact O-CD 3.43Å; E705-R709 VanDerWaalsContact O-CG 3.25Å; E705-R709 WeakPolarHBondContact O-CG 3.4Å; F706-R709 WeakPolarHBondContact O-CA 3.15Å; F706-R709 WeakPolarHBondContact O-CB 3.36Å; F706-R709 PolarHBondContact O-N 2.84Å; L707-R709 PolarHBondContact O-N 2.88Å; L707-R709 VanDerWaalsContact O-N 3.16Å
710	G	93	Very high	96.6	Very high	51 Å²	51	16 Å²	16	53%	0.526	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	14.6	-179.3	0	0	0	0	0	114.6	F706 L707	F706-G710 PolarHBondContact O-N 3.08Å; L707-G710 PolarHBondContact O-N 2.64Å; L707-G710 VanDerWaalsContact O-N 3.11Å
711	C	95.8	Very high	96.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.099	C	C	.	.			trans	-79.9	142.4	174.5	-47.8	0	0	0	0	109.9	Y681 I684 F706 Q753	Y681-C711 VanDerWaalsContact O-CB 3.3Å; Y681-C711 WeakPolarHBondContact O-CB 3.17Å; Y681-C711 PolarHBondContact O-SG 3.36Å; I684-C711 HydrophobicContact CD1-CB 4.43Å; F706-C711 HydrophobicContact CB-CB 3.97Å; F706-C711 VanDerWaalsContact O-CB 3.31Å; F706-C711 WeakPolarHBondContact O-CB 3.49Å; F706-C711 PolarHBondContact O-N 2.66Å; F706-C711 VanDerWaalsContact O-N 3.09Å; F706-C711 PolarHBondContact O-SG 2.77Å; F706-C711 VanDerWaalsContact O-SG 3.36Å; C711-Q753 WeakPolarHBondContact O-CG 3.45Å
712	K	98.3	Very high	96.3	Very high	72 Å²	72	16.2 Å²	16.2	31%	0.313	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	146.8	163.7	-66.5	-176	154.6	-177.4	0	110.6	R682 C683 I684 Q753 M755 E782	R682-K712 WeakPolarHBondContact O-CB 3.44Å; R682-K712 PolarHBondContact O-N 3Å; C683-K712 WeakPolarHBondContact CA-O 3.32Å; C683-K712 HydrophobicContact CB-CB 4.03Å; I684-K712 PolarHBondContact N-O 3.38Å; K712-Q753 CarbonylContact C-O 3.46Å; K712-Q753 VanDerWaalsContact CA-O 3.27Å; K712-Q753 WeakPolarHBondContact CA-O 3.44Å; K712-Q753 HydrophobicContact CG-CG 4.36Å; K712-M755 HydrophobicContact CB-CE 3.95Å; K712-M755 HydrophobicContact CD-CE 3.95Å; K712-M755 HydrophobicContact CG-CE 4.31Å; K712-E782 WeakPolarHBondContact CD-OE2 3.41Å; K712-E782 IonicContact NZ-OE2 3.46Å; K712-E782 PolarHBondContact NZ-OE2 2.71Å
713	V	98.7	Very high	96.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.4	173.8	-175	0	0	0	0	109.2	I684 I686 A703 F706 L707 M715 Q753 L754 M755	I684-V713 CarbonylContact O-C 3.57Å; I684-V713 WeakPolarHBondContact O-CA 3.4Å; I686-V713 HydrophobicContact CD1-CG1 3.67Å; I686-V713 HydrophobicContact CG1-CG1 4.1Å; A703-V713 HydrophobicContact CB-CG1 4.13Å; F706-V713 HydrophobicContact CB-CG2 4.31Å; L707-V713 HydrophobicContact CD2-CB 4.08Å; L707-V713 HydrophobicContact CD2-CG2 3.78Å; L707-V713 HydrophobicContact CG-CG2 3.99Å; V713-M715 HydrophobicContact CG1-CG 3.95Å; V713-Q753 PolarHBondContact N-O 3Å; V713-L754 HydrophobicContact CB-CD1 4.2Å; V713-L754 HydrophobicContact CG1-CD1 4.35Å; V713-L754 WeakPolarHBondContact O-CA 3.46Å; V713-M755 PolarHBondContact O-N 2.74Å
714	I	98.9	Very high	96	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.7	165	-58.2	161.2	0	0	0	106.6	I684 L685 I686 M755 A757 L775 L778 E782 V784	I684-I714 PolarHBondContact O-N 3.31Å; L685-I714 WeakPolarHBondContact CA-O 3.47Å; L685-I714 HydrophobicContact CD1-CB 3.84Å; L685-I714 HydrophobicContact CD1-CG2 3.61Å; I686-I714 PolarHBondContact N-O 2.98Å; I714-M755 CarbonylContact C-O 3.58Å; I714-M755 VanDerWaalsContact CA-O 3.3Å; I714-M755 WeakPolarHBondContact CA-O 3.36Å; I714-M755 HydrophobicContact CG1-CB 4.24Å; I714-M755 HydrophobicContact CG1-CE 3.95Å; I714-A757 HydrophobicContact CG2-CB 4.36Å; I714-L775 HydrophobicContact CG2-CD1 4.26Å; I714-L778 HydrophobicContact CD1-CD2 4.09Å; I714-L778 HydrophobicContact CD1-CG 3.82Å; I714-L778 HydrophobicContact CG1-CD2 4.08Å; I714-L778 HydrophobicContact CG1-CG 4.27Å; I714-L778 HydrophobicContact CG2-CD2 3.73Å; I714-E782 HydrophobicContact CD1-CB 4.36Å; I714-E782 HydrophobicContact CD1-CG 4.42Å; I714-V784 HydrophobicContact CD1-CG2 3.77Å
715	M	98.8	Very high	95.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.6	168.8	-62.6	178	67.9	0	0	108.4	I695 V699 L700 A703 V713 L731 L735 L754 M755 L756 A757	I695-M715 HydrophobicContact CD1-CE 3.44Å; I695-M715 VanDerWaalsContact CD1-CE 3.44Å; V699-M715 HydrophobicContact CG1-CE 4.03Å; L700-M715 HydrophobicContact CD1-CE 4.48Å; L700-M715 HydrophobicContact CD1-SD 4.17Å; A703-M715 HydrophobicContact CB-SD 4.22Å; V713-M715 HydrophobicContact CG1-CG 3.95Å; M715-L731 HydrophobicContact CB-CD2 3.99Å; M715-L731 HydrophobicContact CE-CD1 4.22Å; M715-L735 HydrophobicContact SD-CD1 4.27Å; M715-L754 HydrophobicContact CG-CD1 3.9Å; M715-L754 HydrophobicContact SD-CD1 3.77Å; M715-M755 PolarHBondContact N-O 3.1Å; M715-L756 HydrophobicContact CB-CD2 3.99Å; M715-L756 WeakPolarHBondContact O-CA 3.42Å; M715-A757 PolarHBondContact O-N 2.82Å
716	T	98.7	Very high	96	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.4	-178	-164.7	0	0	0	0	112.5	L685 I686 F687 C688 A757 N759 L775	L685-T716 HydrophobicContact CD1-CG2 3.72Å; I686-T716 WeakPolarHBondContact O-CG2 3.46Å; I686-T716 PolarHBondContact O-N 3Å; F687-T716 HydrophobicContact CB-CG2 4.3Å; F687-T716 HydrophobicContact CD1-CG2 3.35Å; F687-T716 HydrophobicContact CD2-CG2 4.29Å; F687-T716 HydrophobicContact CE1-CG2 3.61Å; F687-T716 HydrophobicContact CE2-CG2 4.5Å; F687-T716 HydrophobicContact CG-CG2 3.72Å; F687-T716 HydrophobicContact CZ-CG2 4.19Å; C688-T716 PolarHBondContact N-O 3.12Å; T716-A757 VanDerWaalsContact CA-O 3.23Å; T716-A757 WeakPolarHBondContact CA-O 3.29Å; T716-A757 WeakPolarHBondContact CB-O 3.24Å; T716-A757 PolarHBondContact OG1-O 2.89Å; T716-N759 HydrophobicContact CG2-CB 4.29Å; T716-N759 WeakPolarHBondContact OG1-CB 3.31Å; T716-L775 HydrophobicContact CG2-CD1 4.42Å; T716-L775 HydrophobicContact CG2-CD2 4.04Å
717	A	98.3	Very high	96.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	168	-165.7	0	0	0	0	0	110.6	I726 L731 A757 N759	A717-I726 HydrophobicContact CB-CG2 4.07Å; A717-L731 HydrophobicContact CB-CB 4.33Å; A717-L731 HydrophobicContact CB-CD2 3.83Å; A717-A757 PolarHBondContact N-O 3.05Å; A717-N759 PolarHBondContact O-N 3.28Å; A717-N759 PolarHBondContact O-ND2 2.72Å; A717-N759 PolarHBondContact O-OD1 2.87Å
718	N	96.7	Very high	96.1	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-67.2	141.3	-168.9	-74.1	-2.4	0	0	0	113.3	S720 D725 I726 T727 Y728 N759 S763 R794	N718-S720 VanDerWaalsContact CB-O 3.31Å; N718-S720 WeakPolarHBondContact CB-O 3.36Å; N718-S720 PolarHBondContact O-N 3.45Å; N718-D725 PolarHBondContact ND2-OD2 2.93Å; N718-I726 PolarHBondContact N-O 3.49Å; N718-I726 VanDerWaalsContact N-O 3.1Å; N718-T727 CarbonylContact O-C 3.43Å; N718-T727 VanDerWaalsContact O-CA 3.27Å; N718-T727 WeakPolarHBondContact O-CA 3.47Å; N718-T727 WeakPolarHBondContact O-CB 3.41Å; N718-Y728 PolarHBondContact O-N 3.02Å; N718-N759 WeakPolarHBondContact CA-OD1 3.49Å; N718-N759 PolarHBondContact OD1-ND2 3.25Å; N718-S763 PolarHBondContact ND2-O 2.89Å; N718-R794 PolarHBondContact OD1-NH2 2.92Å
719	S	93.2	Very high	96.1	Very high	6 Å²	6	17.2 Å²	17.2	4%	0.042	9%	0.092	C	C	.	.	S	Bend	trans	-71.9	-16.3	174	-68.8	0	0	0	0	113.1	E758 G760 Q761	S719-E758 WeakPolarHBondContact CB-OE2 3.25Å; S719-E758 WeakPolarHBondContact OG-CB 3.44Å; S719-E758 PolarHBondContact OG-OE2 3.34Å; S719-G760 VanDerWaalsContact OG-CA 3.31Å; S719-G760 WeakPolarHBondContact OG-CA 3.18Å; S719-G760 PolarHBondContact OG-N 2.98Å; S719-Q761 PolarHBondContact N-O 3.38Å
720	S	91.5	Very high	96.3	Very high	20 Å²	20	14 Å²	14	14%	0.14	8%	0.08	C	C	.	.	S	Bend	trans	-150.2	155.2	174.7	-59.7	0	0	0	0	110.9	N718 Q761	N718-S720 VanDerWaalsContact CB-O 3.31Å; N718-S720 WeakPolarHBondContact CB-O 3.36Å; N718-S720 PolarHBondContact O-N 3.45Å; S720-Q761 PolarHBondContact N-O 2.91Å
721	P	94.2	Very high	96.5	Very high	10 Å²	10	11.6 Å²	11.6	7%	0.065	6%	0.055	C	C	.	.			trans	-54.1	143.2	176.8	-26.3	34.8	0	0	0	113.4	D580 T727	D580-P721 HydrophobicContact CB-CB 3.78Å; D580-P721 HydrophobicContact CB-CG 3.77Å; P721-T727 HydrophobicContact CB-CG2 4.41Å; P721-T727 HydrophobicContact CG-CG2 4.04Å
722	A	95	Very high	96.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.			trans	-154	112.1	173.4	0	0	0	0	0	108.8	Q570 N724 D725 S763 P764	Q570-A722 HydrophobicContact CG-CB 4.25Å; A722-N724 PolarHBondContact O-N 2.9Å; A722-D725 WeakPolarHBondContact O-CB 3.18Å; A722-D725 PolarHBondContact O-N 3Å; A722-D725 VanDerWaalsContact O-OD1 3.08Å; A722-S763 VanDerWaalsContact CB-CA 3.48Å; A722-P764 HydrophobicContact CB-CG 4.17Å
723	I	94.7	Very high	96.4	Very high	9 Å²	9	12.8 Å²	12.8	5%	0.046	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-134.4	-170.1	-41.9	-172.3	0	0	0	110	L566 Q570 F582 P764	L566-I723 HydrophobicContact CD2-CD1 4.08Å; Q570-I723 VanDerWaalsContact OE1-N 3.08Å; F582-I723 WeakPolarHBondContact CB-O 3.3Å; F582-I723 VanDerWaalsContact CD2-CA 3.41Å; F582-I723 HydrophobicContact CD2-CB 4.38Å; F582-I723 HydrophobicContact CD2-CG2 4.09Å; F582-I723 VanDerWaalsContact CD2-O 3.32Å; F582-I723 WeakPolarHBondContact CD2-O 3.19Å; F582-I723 HydrophobicContact CE1-CG2 4.2Å; F582-I723 HydrophobicContact CE2-CB 4.11Å; F582-I723 HydrophobicContact CE2-CG2 3.55Å; F582-I723 HydrophobicContact CZ-CG2 3.62Å; I723-P764 HydrophobicContact CB-CG 4.4Å; I723-P764 HydrophobicContact CD1-CG 3.67Å; I723-P764 HydrophobicContact CG1-CG 3.72Å
724	N	96	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	17.2	176.7	68.4	-69.9	0	0	0	113.5	F582 K586 F626 W628 N690 S691 A722	F582-N724 HydrophobicContact CB-CB 4.19Å; F582-N724 HydrophobicContact CD1-CB 4.22Å; F582-N724 HydrophobicContact CG-CB 4.26Å; K586-N724 HydrophobicContact CG-CB 4.13Å; F626-N724 PolarHBondContact O-ND2 3.47Å; W628-N724 WeakPolarHBondContact CB-OD1 3.5Å; W628-N724 PolarHBondContact N-OD1 3.07Å; N690-N724 PolarHBondContact OD1-ND2 3.12Å; S691-N724 WeakPolarHBondContact CB-O 3.32Å; S691-N724 PolarHBondContact N-O 3.15Å; S691-N724 PolarHBondContact OG-O 3.07Å; A722-N724 PolarHBondContact O-N 2.9Å
725	D	97.8	Very high	96.1	Very high	3 Å²	3	13 Å²	13	2%	0.016	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-53.7	143.9	172.9	-71	26.7	0	0	0	111.8	K586 D689 N718 A722 P764 R794	K586-D725 WeakPolarHBondContact CD-O 3.43Å; K586-D725 PolarHBondContact NZ-O 2.99Å; D689-D725 VanDerWaalsContact O-CA 3.28Å; D689-D725 WeakPolarHBondContact O-CA 3.16Å; N718-D725 PolarHBondContact ND2-OD2 2.93Å; A722-D725 WeakPolarHBondContact O-CB 3.18Å; A722-D725 PolarHBondContact O-N 3Å; A722-D725 VanDerWaalsContact O-OD1 3.08Å; D725-P764 WeakPolarHBondContact OD2-CA 3.49Å; D725-R794 IonicContact OD1-NH1 3.7Å; D725-R794 IonicContact OD2-CZ 2.89Å; D725-R794 IonicContact OD2-NH1 2.97Å; D725-R794 PolarHBondContact OD2-NH1 2.83Å; D725-R794 IonicContact OD2-NH2 2.68Å; D725-R794 PolarHBondContact OD2-NH2 3.06Å
726	I	97.8	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-72.9	129.1	171.9	-170.1	70.9	0	0	0	110.6	C688 D689 S691 I695 A717 N718 E730 L731 L734	C688-I726 HydrophobicContact CB-CG2 3.75Å; D689-I726 PolarHBondContact O-N 2.86Å; D689-I726 VanDerWaalsContact O-N 3.16Å; S691-I726 WeakPolarHBondContact OG-CA 3.28Å; S691-I726 WeakPolarHBondContact OG-CD1 3.38Å; I695-I726 HydrophobicContact CG1-CG1 4.38Å; I695-I726 HydrophobicContact CG2-CD1 4.35Å; A717-I726 HydrophobicContact CB-CG2 4.07Å; N718-I726 PolarHBondContact N-O 3.49Å; N718-I726 VanDerWaalsContact N-O 3.1Å; I726-E730 HydrophobicContact CD1-CB 3.43Å; I726-E730 VanDerWaalsContact CD1-CB 3.43Å; I726-E730 HydrophobicContact CD1-CG 4.46Å; I726-E730 HydrophobicContact CG1-CB 4.3Å; I726-L731 HydrophobicContact CG1-CB 3.96Å; I726-L734 HydrophobicContact CD1-CD1 3.75Å
727	T	97.1	Very high	95.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-89	159.2	171.2	72.1	0	0	0	0	111.9	N718 P721 Q729 E730 L731	N718-T727 CarbonylContact O-C 3.43Å; N718-T727 VanDerWaalsContact O-CA 3.27Å; N718-T727 WeakPolarHBondContact O-CA 3.47Å; N718-T727 WeakPolarHBondContact O-CB 3.41Å; P721-T727 HydrophobicContact CB-CG2 4.41Å; P721-T727 HydrophobicContact CG-CG2 4.04Å; T727-Q729 PolarHBondContact O-N 3.46Å; T727-E730 WeakPolarHBondContact CG2-OE1 3.37Å; T727-E730 PolarHBondContact N-OE2 2.88Å; T727-E730 VanDerWaalsContact N-OE2 3.1Å; T727-E730 PolarHBondContact O-N 3.06Å; T727-E730 PolarHBondContact OG1-N 2.93Å; T727-E730 PolarHBondContact OG1-OE1 3.33Å; T727-L731 WeakPolarHBondContact O-CB 3.33Å; T727-L731 PolarHBondContact O-N 2.95Å
728	Y	97	Very high	95.3	Very high	57 Å²	57	20 Å²	20	22%	0.224	10%	0.096	C	C	.	.	H	α-helix	trans	-52.3	-42.8	174.2	170.5	-92.2	0	0	0	112.4	N718 L731 E732 L756 E758	N718-Y728 PolarHBondContact O-N 3.02Å; Y728-L731 PolarHBondContact O-N 3.15Å; Y728-E732 HydrophobicContact CE1-CB 4.47Å; Y728-E732 WeakPolarHBondContact CE1-OE2 3.4Å; Y728-E732 WeakPolarHBondContact O-CB 3.48Å; Y728-E732 PolarHBondContact O-N 2.96Å; Y728-E732 PolarHBondContact OH-OE1 2.96Å; Y728-L756 HydrophobicContact CD2-CB 4.4Å; Y728-L756 HydrophobicContact CE2-CB 3.72Å; Y728-E758 HydrophobicContact CD2-CB 4.25Å; Y728-E758 VanDerWaalsContact CD2-N 3.33Å; Y728-E758 HydrophobicContact CG-CB 3.99Å
729	Q	95	Very high	95.2	Very high	61 Å²	61	21.1 Å²	21.1	29%	0.285	11%	0.106	S	C	.	.	H	α-helix	trans	-71.1	-38.1	-177.3	-61.7	178.5	-61	0	0	112	P50 T727 L733	P50-Q729 HydrophobicContact CG-CB 3.59Å; T727-Q729 PolarHBondContact O-N 3.46Å; Q729-L733 WeakPolarHBondContact O-CG 3.43Å; Q729-L733 PolarHBondContact O-N 3.05Å; Q729-L733 VanDerWaalsContact O-N 3.15Å
730	E	96.1	Very high	95.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-44.7	171.3	-75.3	138.9	-135.9	0	0	111.5	P50 Y67 Y69 K586 I726 T727 L733 L734	P50-E730 HydrophobicContact CB-CG 4.12Å; P50-E730 HydrophobicContact CG-CG 4.06Å; Y67-E730 HydrophobicContact CE2-CG 4.45Å; Y69-E730 VanDerWaalsContact OH-CD 3.27Å; Y69-E730 WeakPolarHBondContact OH-CG 3.32Å; Y69-E730 PolarHBondContact OH-OE1 3.08Å; K586-E730 IonicContact NZ-OE1 2.72Å; K586-E730 PolarHBondContact NZ-OE1 3.01Å; K586-E730 IonicContact NZ-OE2 3.42Å; K586-E730 PolarHBondContact NZ-OE2 2.95Å; I726-E730 HydrophobicContact CD1-CB 3.43Å; I726-E730 VanDerWaalsContact CD1-CB 3.43Å; I726-E730 HydrophobicContact CD1-CG 4.46Å; I726-E730 HydrophobicContact CG1-CB 4.3Å; T727-E730 WeakPolarHBondContact CG2-OE1 3.37Å; T727-E730 PolarHBondContact N-OE2 2.88Å; T727-E730 VanDerWaalsContact N-OE2 3.1Å; T727-E730 PolarHBondContact O-N 3.06Å; T727-E730 PolarHBondContact OG1-N 2.93Å; T727-E730 PolarHBondContact OG1-OE1 3.33Å; E730-L733 PolarHBondContact O-N 2.99Å; E730-L734 WeakPolarHBondContact O-CB 3.42Å; E730-L734 VanDerWaalsContact O-CG 3.26Å; E730-L734 WeakPolarHBondContact O-CG 3.29Å; E730-L734 PolarHBondContact O-N 2.79Å
731	L	97.3	Very high	95.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-43	179.8	-179.4	59.5	0	0	0	112.1	I695 M715 A717 I726 T727 Y728 L734 L735 L756	I695-L731 HydrophobicContact CD1-CD1 3.87Å; I695-L731 HydrophobicContact CG1-CD1 3.86Å; M715-L731 HydrophobicContact CB-CD2 3.99Å; M715-L731 HydrophobicContact CE-CD1 4.22Å; A717-L731 HydrophobicContact CB-CB 4.33Å; A717-L731 HydrophobicContact CB-CD2 3.83Å; I726-L731 HydrophobicContact CG1-CB 3.96Å; T727-L731 WeakPolarHBondContact O-CB 3.33Å; T727-L731 PolarHBondContact O-N 2.95Å; Y728-L731 PolarHBondContact O-N 3.15Å; L731-L734 PolarHBondContact O-N 3.35Å; L731-L735 HydrophobicContact CD1-CD1 3.64Å; L731-L735 HydrophobicContact CD1-CG 4.03Å; L731-L735 HydrophobicContact CG-CD1 3.97Å; L731-L735 WeakPolarHBondContact O-CB 3.34Å; L731-L735 WeakPolarHBondContact O-CG 3.05Å; L731-L735 PolarHBondContact O-N 3Å; L731-L756 HydrophobicContact CD2-CD2 4.11Å; L731-L756 HydrophobicContact CG-CD2 4.23Å
732	E	96.3	Very high	95.2	Very high	69 Å²	69	28.1 Å²	28.1	32%	0.322	14%	0.143	S	C	.	.	H	α-helix	trans	-59.2	-47.4	175.4	-176.7	168.9	-124.6	0	0	111.1	Y728 H736 L756	Y728-E732 HydrophobicContact CE1-CB 4.47Å; Y728-E732 WeakPolarHBondContact CE1-OE2 3.4Å; Y728-E732 WeakPolarHBondContact O-CB 3.48Å; Y728-E732 PolarHBondContact O-N 2.96Å; Y728-E732 PolarHBondContact OH-OE1 2.96Å; E732-H736 PolarHBondContact O-N 3.33Å; E732-H736 PolarHBondContact O-ND1 3.27Å; E732-L756 HydrophobicContact CB-CD1 4.09Å; E732-L756 HydrophobicContact CG-CD1 4.43Å
733	L	94.7	Very high	95.2	Very high	27 Å²	27	32.6 Å²	32.6	14%	0.141	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-50.4	175.4	-73.9	167.8	0	0	0	111.9	P50 Q52 F66 Q729 E730 L735 H736 M737	P50-L733 HydrophobicContact CB-CD1 3.74Å; P50-L733 HydrophobicContact CG-CD1 4.07Å; Q52-L733 HydrophobicContact CB-CD2 3.92Å; F66-L733 HydrophobicContact CE1-CB 3.83Å; F66-L733 WeakPolarHBondContact CE1-O 2.99Å; F66-L733 HydrophobicContact CZ-CB 3.95Å; F66-L733 HydrophobicContact CZ-CD2 4.12Å; F66-L733 WeakPolarHBondContact CZ-O 3.38Å; Q729-L733 WeakPolarHBondContact O-CG 3.43Å; Q729-L733 PolarHBondContact O-N 3.05Å; Q729-L733 VanDerWaalsContact O-N 3.15Å; E730-L733 PolarHBondContact O-N 2.99Å; L733-L735 VanDerWaalsContact C-N 3.31Å; L733-L735 PolarHBondContact O-N 3.15Å; L733-H736 PolarHBondContact O-N 2.91Å; L733-M737 PolarHBondContact O-N 3.22Å
734	L	95	Very high	95.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-40.8	-178.4	-72.7	173.6	0	0	0	112.6	Y67 N590 L594 I696 I726 E730 L731 M737 I738	Y67-L734 HydrophobicContact CE1-CD2 4.26Å; N590-L734 HydrophobicContact CB-CD2 4.04Å; L594-L734 HydrophobicContact CD1-CD2 4.06Å; I696-L734 HydrophobicContact CD1-CD1 4.29Å; I696-L734 HydrophobicContact CD1-CD2 4.37Å; I726-L734 HydrophobicContact CD1-CD1 3.75Å; E730-L734 WeakPolarHBondContact O-CB 3.42Å; E730-L734 VanDerWaalsContact O-CG 3.26Å; E730-L734 WeakPolarHBondContact O-CG 3.29Å; E730-L734 PolarHBondContact O-N 2.79Å; L731-L734 PolarHBondContact O-N 3.35Å; L734-M737 WeakPolarHBondContact O-CB 3.43Å; L734-M737 PolarHBondContact O-N 3.28Å; L734-I738 VanDerWaalsContact O-CG1 3.29Å; L734-I738 WeakPolarHBondContact O-CG1 3.35Å; L734-I738 PolarHBondContact O-N 2.75Å
735	L	96	Very high	95.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-74.5	-32	-179.8	-71.6	171.8	0	0	0	113	L700 M715 L731 L733 M737 I738 A739 I745 L749 L754 L756	L700-L735 HydrophobicContact CD1-CD2 3.65Å; L700-L735 HydrophobicContact CD2-CD2 3.78Å; L700-L735 HydrophobicContact CG-CD2 4.36Å; M715-L735 HydrophobicContact SD-CD1 4.27Å; L731-L735 HydrophobicContact CD1-CD1 3.64Å; L731-L735 HydrophobicContact CD1-CG 4.03Å; L731-L735 HydrophobicContact CG-CD1 3.97Å; L731-L735 WeakPolarHBondContact O-CB 3.34Å; L731-L735 WeakPolarHBondContact O-CG 3.05Å; L731-L735 PolarHBondContact O-N 3Å; L733-L735 VanDerWaalsContact C-N 3.31Å; L733-L735 PolarHBondContact O-N 3.15Å; L735-M737 VanDerWaalsContact C-N 3.31Å; L735-I738 HydrophobicContact CD2-CD1 4.5Å; L735-I738 PolarHBondContact O-N 2.94Å; L735-A739 VanDerWaalsContact O-CB 3.27Å; L735-A739 WeakPolarHBondContact O-CB 3.25Å; L735-A739 PolarHBondContact O-N 3.07Å; L735-I745 HydrophobicContact CD2-CG2 4.18Å; L735-L749 HydrophobicContact CB-CD1 4.35Å; L735-L754 HydrophobicContact CD1-CD2 4.28Å; L735-L754 HydrophobicContact CD2-CD2 4.43Å; L735-L756 HydrophobicContact CD1-CD1 4Å; L735-L756 HydrophobicContact CD1-CD2 3.42Å; L735-L756 VanDerWaalsContact CD1-CD2 3.42Å; L735-L756 HydrophobicContact CD1-CG 4.32Å
736	H	92.8	Very high	95.5	Very high	116 Å²	116	35.3 Å²	35.3	54%	0.537	19%	0.19	S	C	.	.	H	α-helix	trans	-64.3	-35.7	167.9	-77.2	93.7	0	0	0	112	E732 L733	E732-H736 PolarHBondContact O-N 3.33Å; E732-H736 PolarHBondContact O-ND1 3.27Å; L733-H736 PolarHBondContact O-N 2.91Å
737	M	91.8	Very high	95.5	Very high	28 Å²	28	41.6 Å²	41.6	14%	0.138	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-46	173.9	-174.4	58	-176.4	0	0	111.9	I62 P63 F66 L733 L734 L735 A739 S740	I62-M737 HydrophobicContact CG2-CE 4.42Å; P63-M737 HydrophobicContact CB-CE 3.59Å; F66-M737 HydrophobicContact CB-CE 4.45Å; F66-M737 HydrophobicContact CB-CG 4.43Å; F66-M737 HydrophobicContact CB-SD 4.22Å; F66-M737 HydrophobicContact CD1-CB 3.75Å; F66-M737 HydrophobicContact CD1-CG 3.89Å; F66-M737 HydrophobicContact CD1-SD 4.45Å; F66-M737 HydrophobicContact CD2-CB 4.06Å; F66-M737 HydrophobicContact CD2-CG 4.02Å; F66-M737 HydrophobicContact CD2-SD 3.52Å; F66-M737 VanDerWaalsContact CD2-SD 3.52Å; F66-M737 HydrophobicContact CE1-CB 3.59Å; F66-M737 HydrophobicContact CE1-CG 4.27Å; F66-M737 HydrophobicContact CE2-CB 3.89Å; F66-M737 HydrophobicContact CE2-CG 4.35Å; F66-M737 HydrophobicContact CE2-SD 4.06Å; F66-M737 HydrophobicContact CG-CB 4.02Å; F66-M737 HydrophobicContact CG-CG 3.81Å; F66-M737 HydrophobicContact CG-SD 3.78Å; F66-M737 HydrophobicContact CZ-CB 3.69Å; L733-M737 PolarHBondContact O-N 3.22Å; L734-M737 WeakPolarHBondContact O-CB 3.43Å; L734-M737 PolarHBondContact O-N 3.28Å; L735-M737 VanDerWaalsContact C-N 3.31Å; M737-A739 VanDerWaalsContact C-N 3.32Å; M737-A739 PolarHBondContact O-N 3.38Å; M737-S740 WeakPolarHBondContact O-CB 3.47Å; M737-S740 PolarHBondContact O-N 3.09Å; M737-S740 PolarHBondContact O-OG 2.89Å
738	I	94.9	Very high	95.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-36.7	179.8	-67.1	165.1	0	0	0	110.9	L594 L597 I696 L700 L734 L735 S740 F741 E742 I745	L594-I738 HydrophobicContact CD2-CD1 3.72Å; L594-I738 HydrophobicContact CD2-CG1 3.46Å; L594-I738 VanDerWaalsContact CD2-CG1 3.46Å; L597-I738 HydrophobicContact CD2-CD1 3.89Å; L597-I738 HydrophobicContact CD2-CG1 3.93Å; L597-I738 HydrophobicContact CD2-CG2 3.81Å; I696-I738 HydrophobicContact CG1-CD1 4.47Å; L700-I738 HydrophobicContact CD2-CD1 3.52Å; L700-I738 HydrophobicContact CD2-CG2 4.15Å; L734-I738 VanDerWaalsContact O-CG1 3.29Å; L734-I738 WeakPolarHBondContact O-CG1 3.35Å; L734-I738 PolarHBondContact O-N 2.75Å; L735-I738 HydrophobicContact CD2-CD1 4.5Å; L735-I738 PolarHBondContact O-N 2.94Å; I738-S740 PolarHBondContact O-N 3.42Å; I738-S740 VanDerWaalsContact O-N 3.08Å; I738-F741 HydrophobicContact CB-CZ 4.32Å; I738-F741 HydrophobicContact CG1-CE1 4.45Å; I738-F741 HydrophobicContact CG1-CZ 3.99Å; I738-F741 HydrophobicContact CG2-CE2 4.42Å; I738-F741 HydrophobicContact CG2-CZ 4.4Å; I738-F741 PolarHBondContact O-N 2.69Å; I738-E742 HydrophobicContact CG2-CB 3.79Å; I738-E742 HydrophobicContact CG2-CG 4.4Å; I738-E742 WeakPolarHBondContact O-CB 3.35Å; I738-E742 PolarHBondContact O-N 2.94Å; I738-I745 HydrophobicContact CG2-CB 4.33Å; I738-I745 HydrophobicContact CG2-CG1 4.05Å; I738-I745 HydrophobicContact CG2-CG2 4.37Å
739	A	94.8	Very high	95.6	Very high	26 Å²	26	40.9 Å²	40.9	22%	0.215	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.3	171.7	0	0	0	0	0	114.5	L735 M737 F741 I745 A746 L749	L735-A739 VanDerWaalsContact O-CB 3.27Å; L735-A739 WeakPolarHBondContact O-CB 3.25Å; L735-A739 PolarHBondContact O-N 3.07Å; M737-A739 VanDerWaalsContact C-N 3.32Å; M737-A739 PolarHBondContact O-N 3.38Å; A739-F741 VanDerWaalsContact C-N 3.3Å; A739-I745 HydrophobicContact CB-CG2 4.23Å; A739-A746 HydrophobicContact CB-CB 4.05Å; A739-A746 WeakPolarHBondContact O-CB 3.4Å; A739-L749 HydrophobicContact CB-CD1 4.05Å
740	S	91.3	Very high	95.7	Very high	82 Å²	82	45 Å²	45	57%	0.573	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.5	174.9	73.9	0	0	0	0	113.7	M737 I738	M737-S740 WeakPolarHBondContact O-CB 3.47Å; M737-S740 PolarHBondContact O-N 3.09Å; M737-S740 PolarHBondContact O-OG 2.89Å; I738-S740 PolarHBondContact O-N 3.42Å; I738-S740 VanDerWaalsContact O-N 3.08Å
741	F	92.3	Very high	95.8	Very high	59 Å²	59	49 Å²	49	26%	0.259	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-13.4	-177.1	62.7	-100.4	0	0	0	115.5	L594 L597 I738 A739	L594-F741 HydrophobicContact CD2-CZ 4.4Å; L597-F741 HydrophobicContact CD2-CE2 4.06Å; L597-F741 HydrophobicContact CD2-CZ 4.23Å; I738-F741 HydrophobicContact CB-CZ 4.32Å; I738-F741 HydrophobicContact CG1-CE1 4.45Å; I738-F741 HydrophobicContact CG1-CZ 3.99Å; I738-F741 HydrophobicContact CG2-CE2 4.42Å; I738-F741 HydrophobicContact CG2-CZ 4.4Å; I738-F741 PolarHBondContact O-N 2.69Å; A739-F741 VanDerWaalsContact C-N 3.3Å
742	E	95.4	Very high	95.8	Very high	41 Å²	41	50.1 Å²	50.1	19%	0.192	28%	0.277	C	S	.	.			trans	-112.1	102.7	176.9	177.2	45.7	-113.2	0	0	111	M704 I738 L744 I745 A746	M704-E742 HydrophobicContact CE-CG 3.57Å; M704-E742 HydrophobicContact SD-CG 4.47Å; I738-E742 HydrophobicContact CG2-CB 3.79Å; I738-E742 HydrophobicContact CG2-CG 4.4Å; I738-E742 WeakPolarHBondContact O-CB 3.35Å; I738-E742 PolarHBondContact O-N 2.94Å; E742-L744 VanDerWaalsContact C-N 3.32Å; E742-L744 PolarHBondContact O-N 3.46Å; E742-L744 WeakPolarHBondContact OE1-CB 3.33Å; E742-L744 PolarHBondContact OE1-N 2.96Å; E742-L744 VanDerWaalsContact OE1-N 3.07Å; E742-I745 HydrophobicContact CB-CG1 4.44Å; E742-I745 HydrophobicContact CG-CB 4.31Å; E742-I745 HydrophobicContact CG-CG1 3.83Å; E742-I745 PolarHBondContact O-N 3.2Å; E742-A746 PolarHBondContact O-N 3.39Å
743	P	96.3	Very high	95.8	Very high	95 Å²	95	48.4 Å²	48.4	62%	0.617	27%	0.269	S	S	*	.	H	α-helix	trans	-59.7	-33.7	-173.2	-26.9	35.9	0	0	0	115	I745 A746 E747	P743-I745 VanDerWaalsContact C-N 3.3Å; P743-I745 PolarHBondContact O-N 2.87Å; P743-A746 PolarHBondContact O-N 3.3Å; P743-E747 PolarHBondContact O-N 2.89Å
744	L	97.5	Very high	96	Very high	44 Å²	44	47.3 Å²	47.3	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-36	-178.9	178.1	61.1	0	0	0	111.8	M704 L707 E742 S748	M704-L744 HydrophobicContact CB-CD2 3.99Å; M704-L744 HydrophobicContact CE-CB 4.36Å; M704-L744 HydrophobicContact CE-CD2 4.07Å; M704-L744 HydrophobicContact CG-CD2 4.22Å; L707-L744 HydrophobicContact CB-CD1 4.34Å; L707-L744 HydrophobicContact CB-CD2 4.44Å; L707-L744 HydrophobicContact CB-CG 4.44Å; E742-L744 VanDerWaalsContact C-N 3.32Å; E742-L744 PolarHBondContact O-N 3.46Å; E742-L744 WeakPolarHBondContact OE1-CB 3.33Å; E742-L744 PolarHBondContact OE1-N 2.96Å; E742-L744 VanDerWaalsContact OE1-N 3.07Å; L744-S748 WeakPolarHBondContact O-CB 3.39Å; L744-S748 PolarHBondContact O-N 3Å; L744-S748 PolarHBondContact O-OG 3.31Å
745	I	98.2	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-72.6	-42.6	176.1	-62	-54.8	0	0	0	110.2	L700 M704 L707 L735 I738 A739 E742 P743 E747 S748 L749 L754	L700-I745 HydrophobicContact CD1-CD1 3.68Å; L700-I745 HydrophobicContact CD1-CG1 4.5Å; L700-I745 HydrophobicContact CG-CD1 4.4Å; M704-I745 HydrophobicContact CG-CD1 3.64Å; M704-I745 HydrophobicContact CG-CG1 4.39Å; M704-I745 HydrophobicContact SD-CD1 4.08Å; M704-I745 HydrophobicContact SD-CG1 4.22Å; L707-I745 HydrophobicContact CD1-CD1 4.06Å; L735-I745 HydrophobicContact CD2-CG2 4.18Å; I738-I745 HydrophobicContact CG2-CB 4.33Å; I738-I745 HydrophobicContact CG2-CG1 4.05Å; I738-I745 HydrophobicContact CG2-CG2 4.37Å; A739-I745 HydrophobicContact CB-CG2 4.23Å; E742-I745 HydrophobicContact CB-CG1 4.44Å; E742-I745 HydrophobicContact CG-CB 4.31Å; E742-I745 HydrophobicContact CG-CG1 3.83Å; E742-I745 PolarHBondContact O-N 3.2Å; P743-I745 VanDerWaalsContact C-N 3.3Å; P743-I745 PolarHBondContact O-N 2.87Å; I745-E747 PolarHBondContact O-N 3.28Å; I745-S748 PolarHBondContact O-N 3.07Å; I745-L749 HydrophobicContact CG2-CD1 3.86Å; I745-L749 HydrophobicContact CG2-CG 4.33Å; I745-L749 WeakPolarHBondContact O-CB 3.1Å; I745-L749 WeakPolarHBondContact O-CG 3.3Å; I745-L749 PolarHBondContact O-N 3.48Å; I745-L754 HydrophobicContact CD1-CD2 4.03Å; I745-L754 HydrophobicContact CG2-CD2 4.27Å
746	A	97.7	Very high	96.3	Very high	24 Å²	24	49.5 Å²	49.5	20%	0.198	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-47.4	175.8	0	0	0	0	0	112.5	A739 E742 P743 N750	A739-A746 HydrophobicContact CB-CB 4.05Å; A739-A746 WeakPolarHBondContact O-CB 3.4Å; E742-A746 PolarHBondContact O-N 3.39Å; P743-A746 PolarHBondContact O-N 3.3Å; A746-N750 WeakPolarHBondContact O-CB 3.23Å; A746-N750 PolarHBondContact O-N 2.96Å; A746-N750 PolarHBondContact O-ND2 3.48Å
747	E	98.2	Very high	96.6	Very high	133 Å²	133	44.3 Å²	44.3	62%	0.621	25%	0.252	S	S	*	.	H	α-helix	trans	-65.9	-45.8	177.4	-171.3	176.8	173	0	0	111.3	P743 I745 L749 N750 N751	P743-E747 PolarHBondContact O-N 2.89Å; I745-E747 PolarHBondContact O-N 3.28Å; E747-L749 PolarHBondContact O-N 3.36Å; E747-N750 PolarHBondContact O-N 2.9Å; E747-N751 PolarHBondContact O-N 2.96Å; E747-N751 PolarHBondContact O-ND2 2.89Å; E747-N751 PolarHBondContact O-OD1 3.26Å
748	S	98.3	Very high	96.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-35.1	-177	-62.3	0	0	0	0	113.5	L744 I745 N751 G752 Q753 L754	L744-S748 WeakPolarHBondContact O-CB 3.39Å; L744-S748 PolarHBondContact O-N 3Å; L744-S748 PolarHBondContact O-OG 3.31Å; I745-S748 PolarHBondContact O-N 3.07Å; S748-N751 WeakPolarHBondContact CA-OD1 3.43Å; S748-N751 PolarHBondContact O-OD1 3.23Å; S748-G752 PolarHBondContact O-N 2.85Å; S748-Q753 PolarHBondContact O-N 2.87Å; S748-Q753 PolarHBondContact OG-NE2 2.82Å; S748-L754 PolarHBondContact O-N 2.94Å
749	L	98.1	Very high	96.8	Very high	42 Å²	42	45.5 Å²	45.5	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-47.5	172.9	-70.2	169.6	0	0	0	110.9	L735 A739 I745 E747 N751 G752 L754	L735-L749 HydrophobicContact CB-CD1 4.35Å; A739-L749 HydrophobicContact CB-CD1 4.05Å; I745-L749 HydrophobicContact CG2-CD1 3.86Å; I745-L749 HydrophobicContact CG2-CG 4.33Å; I745-L749 WeakPolarHBondContact O-CB 3.1Å; I745-L749 WeakPolarHBondContact O-CG 3.3Å; I745-L749 PolarHBondContact O-N 3.48Å; E747-L749 PolarHBondContact O-N 3.36Å; L749-N751 VanDerWaalsContact C-N 3.34Å; L749-N751 PolarHBondContact O-N 3.02Å; L749-G752 PolarHBondContact O-N 3.37Å; L749-L754 HydrophobicContact CD2-CB 4.21Å; L749-L754 HydrophobicContact CD2-CD2 3.9Å; L749-L754 HydrophobicContact CD2-CG 3.87Å; L749-L754 HydrophobicContact CG-CD2 4.16Å; L749-L754 HydrophobicContact CG-CG 4.5Å
750	N	97.6	Very high	96.7	Very high	148 Å²	148	44.5 Å²	44.5	79%	0.791	25%	0.248	S	C	*	.	H	α-helix	trans	-65.7	-32.6	-177	-79.9	-58.9	0	0	0	113.6	A746 E747	A746-N750 WeakPolarHBondContact O-CB 3.23Å; A746-N750 PolarHBondContact O-N 2.96Å; A746-N750 PolarHBondContact O-ND2 3.48Å; E747-N750 PolarHBondContact O-N 2.9Å
751	N	97.2	Very high	96.8	Very high	85 Å²	85	41.2 Å²	41.2	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.1	178.5	72.4	15.7	0	0	0	113.9	E747 S748 L749 Q753	E747-N751 PolarHBondContact O-N 2.96Å; E747-N751 PolarHBondContact O-ND2 2.89Å; E747-N751 PolarHBondContact O-OD1 3.26Å; S748-N751 WeakPolarHBondContact CA-OD1 3.43Å; S748-N751 PolarHBondContact O-OD1 3.23Å; L749-N751 VanDerWaalsContact C-N 3.34Å; L749-N751 PolarHBondContact O-N 3.02Å; N751-Q753 VanDerWaalsContact C-N 3.33Å; N751-Q753 WeakPolarHBondContact OD1-CB 3.35Å; N751-Q753 PolarHBondContact OD1-N 3.12Å
752	G	97	Very high	96.6	Very high	25 Å²	25	39.5 Å²	39.5	26%	0.258	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	22.7	-178.6	0	0	0	0	0	114.4	S748 L749	S748-G752 PolarHBondContact O-N 2.85Å; L749-G752 PolarHBondContact O-N 3.37Å
753	Q	97.8	Very high	96.5	Very high	34 Å²	34	37.8 Å²	37.8	16%	0.159	21%	0.211	C	C	.	.	S	Bend	trans	-80	-35.8	170.6	-169.5	179.9	-104.4	0	0	111.5	L707 C711 K712 V713 S748 N751	L707-Q753 HydrophobicContact CD2-CB 4.36Å; L707-Q753 HydrophobicContact CD2-CG 3.76Å; L707-Q753 PolarHBondContact O-NE2 2.92Å; C711-Q753 WeakPolarHBondContact O-CG 3.45Å; K712-Q753 CarbonylContact C-O 3.46Å; K712-Q753 VanDerWaalsContact CA-O 3.27Å; K712-Q753 WeakPolarHBondContact CA-O 3.44Å; K712-Q753 HydrophobicContact CG-CG 4.36Å; V713-Q753 PolarHBondContact N-O 3Å; S748-Q753 PolarHBondContact O-N 2.87Å; S748-Q753 PolarHBondContact OG-NE2 2.82Å; N751-Q753 VanDerWaalsContact C-N 3.33Å; N751-Q753 WeakPolarHBondContact OD1-CB 3.35Å; N751-Q753 PolarHBondContact OD1-N 3.12Å
754	L	98.7	Very high	96.4	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.1	165.9	178.7	58.3	0	0	0	108.8	L707 V713 M715 L735 I745 S748 L749	L707-L754 HydrophobicContact CD1-CB 4.17Å; L707-L754 HydrophobicContact CD1-CD1 4.5Å; L707-L754 HydrophobicContact CD1-CD2 4.24Å; L707-L754 HydrophobicContact CD2-CB 4.07Å; V713-L754 HydrophobicContact CB-CD1 4.2Å; V713-L754 HydrophobicContact CG1-CD1 4.35Å; V713-L754 WeakPolarHBondContact O-CA 3.46Å; M715-L754 HydrophobicContact CG-CD1 3.9Å; M715-L754 HydrophobicContact SD-CD1 3.77Å; L735-L754 HydrophobicContact CD1-CD2 4.28Å; L735-L754 HydrophobicContact CD2-CD2 4.43Å; I745-L754 HydrophobicContact CD1-CD2 4.03Å; I745-L754 HydrophobicContact CG2-CD2 4.27Å; S748-L754 PolarHBondContact O-N 2.94Å; L749-L754 HydrophobicContact CD2-CB 4.21Å; L749-L754 HydrophobicContact CD2-CD2 3.9Å; L749-L754 HydrophobicContact CD2-CG 3.87Å; L749-L754 HydrophobicContact CG-CD2 4.16Å; L749-L754 HydrophobicContact CG-CG 4.5Å
755	M	98.7	Very high	96.4	Very high	22 Å²	22	31.7 Å²	31.7	11%	0.108	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.4	-177.9	-68.4	167.9	-77.5	0	0	110.2	K712 V713 I714 M715 L778 E782	K712-M755 HydrophobicContact CB-CE 3.95Å; K712-M755 HydrophobicContact CD-CE 3.95Å; K712-M755 HydrophobicContact CG-CE 4.31Å; V713-M755 PolarHBondContact O-N 2.74Å; I714-M755 CarbonylContact C-O 3.58Å; I714-M755 VanDerWaalsContact CA-O 3.3Å; I714-M755 WeakPolarHBondContact CA-O 3.36Å; I714-M755 HydrophobicContact CG1-CB 4.24Å; I714-M755 HydrophobicContact CG1-CE 3.95Å; M715-M755 PolarHBondContact N-O 3.1Å; M755-L778 HydrophobicContact SD-CD1 4.03Å; M755-E782 HydrophobicContact CE-CG 3.83Å; M755-E782 HydrophobicContact SD-CG 3.84Å
756	L	98.4	Very high	96.2	Very high	31 Å²	31	31.8 Å²	31.8	16%	0.162	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.6	-179.8	-51.3	-179.1	0	0	0	110.5	M715 Y728 L731 E732 L735	M715-L756 HydrophobicContact CB-CD2 3.99Å; M715-L756 WeakPolarHBondContact O-CA 3.42Å; Y728-L756 HydrophobicContact CD2-CB 4.4Å; Y728-L756 HydrophobicContact CE2-CB 3.72Å; L731-L756 HydrophobicContact CD2-CD2 4.11Å; L731-L756 HydrophobicContact CG-CD2 4.23Å; E732-L756 HydrophobicContact CB-CD1 4.09Å; E732-L756 HydrophobicContact CG-CD1 4.43Å; L735-L756 HydrophobicContact CD1-CD1 4Å; L735-L756 HydrophobicContact CD1-CD2 3.42Å; L735-L756 VanDerWaalsContact CD1-CD2 3.42Å; L735-L756 HydrophobicContact CD1-CG 4.32Å
757	A	97.9	Very high	96	Very high	7 Å²	7	30.9 Å²	30.9	6%	0.058	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.1	173.8	0	0	0	0	0	111.9	I714 M715 T716 A717 L775 L778	I714-A757 HydrophobicContact CG2-CB 4.36Å; M715-A757 PolarHBondContact O-N 2.82Å; T716-A757 VanDerWaalsContact CA-O 3.23Å; T716-A757 WeakPolarHBondContact CA-O 3.29Å; T716-A757 WeakPolarHBondContact CB-O 3.24Å; T716-A757 PolarHBondContact OG1-O 2.89Å; A717-A757 PolarHBondContact N-O 3.05Å; A757-L775 HydrophobicContact CB-CB 4.16Å; A757-L775 HydrophobicContact CB-CD1 3.97Å; A757-L778 HydrophobicContact CB-CD2 3.88Å
758	E	96.3	Very high	95.7	Very high	54 Å²	54	24.5 Å²	24.5	25%	0.252	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	143.1	166.9	70.7	170.3	150.4	0	0	110.5	H475 S719 Y728 A772	H475-E758 VanDerWaalsContact CE1-CD 3.42Å; H475-E758 IonicContact CE1-OE1 3.05Å; H475-E758 PolarHBondContact CE1-OE1 2.96Å; H475-E758 IonicContact CE1-OE2 3.03Å; H475-E758 PolarHBondContact CE1-OE2 3.3Å; H475-E758 IonicContact CG-OE1 3.3Å; H475-E758 IonicContact ND1-OE1 3.85Å; H475-E758 PolarHBondContact ND1-OE1 3.28Å; H475-E758 IonicContact ND1-OE2 3.51Å; H475-E758 PolarHBondContact ND1-OE2 3.03Å; S719-E758 WeakPolarHBondContact CB-OE2 3.25Å; S719-E758 WeakPolarHBondContact OG-CB 3.44Å; S719-E758 PolarHBondContact OG-OE2 3.34Å; Y728-E758 HydrophobicContact CD2-CB 4.25Å; Y728-E758 VanDerWaalsContact CD2-N 3.33Å; Y728-E758 HydrophobicContact CG-CB 3.99Å; E758-A772 HydrophobicContact CG-CB 4.07Å; E758-A772 WeakPolarHBondContact O-CB 3.3Å
759	N	95.6	Very high	95.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.			trans	-96.5	-8.3	-173.6	68.7	13.3	0	0	0	115	F687 T716 A717 N718 Q761 L771 A772 L775	F687-N759 HydrophobicContact CD1-CB 4.42Å; F687-N759 HydrophobicContact CE1-CB 4.38Å; T716-N759 HydrophobicContact CG2-CB 4.29Å; T716-N759 WeakPolarHBondContact OG1-CB 3.31Å; A717-N759 PolarHBondContact O-N 3.28Å; A717-N759 PolarHBondContact O-ND2 2.72Å; A717-N759 PolarHBondContact O-OD1 2.87Å; N718-N759 WeakPolarHBondContact CA-OD1 3.49Å; N718-N759 PolarHBondContact OD1-ND2 3.25Å; N759-Q761 PolarHBondContact O-NE2 3.5Å; N759-Q761 VanDerWaalsContact O-NE2 3.17Å; N759-Q761 WeakPolarHBondContact OD1-CB 3.4Å; N759-Q761 WeakPolarHBondContact OD1-CG 3.37Å; N759-Q761 PolarHBondContact OD1-N 2.85Å; N759-L771 WeakPolarHBondContact O-CA 3.36Å; N759-A772 PolarHBondContact O-N 3.01Å; N759-L775 HydrophobicContact CB-CD2 4.16Å
760	G	92	Very high	94.6	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	13%	0.133	C	C	.	.			trans	77.5	17	-177	0	0	0	0	0	115.5	F473 S719	F473-G760 WeakPolarHBondContact CE2-O 3.47Å; S719-G760 VanDerWaalsContact OG-CA 3.31Å; S719-G760 WeakPolarHBondContact OG-CA 3.18Å; S719-G760 PolarHBondContact OG-N 2.98Å
761	Q	93	Very high	94.3	Very high	14 Å²	14	16.8 Å²	16.8	7%	0.065	10%	0.095	C	C	.	.			trans	-101.3	150.1	176.5	-48.4	-48.5	-77.6	0	0	112.3	S719 S720 N759 C765 L766 L770	S719-Q761 PolarHBondContact N-O 3.38Å; S720-Q761 PolarHBondContact N-O 2.91Å; N759-Q761 PolarHBondContact O-NE2 3.5Å; N759-Q761 VanDerWaalsContact O-NE2 3.17Å; N759-Q761 WeakPolarHBondContact OD1-CB 3.4Å; N759-Q761 WeakPolarHBondContact OD1-CG 3.37Å; N759-Q761 PolarHBondContact OD1-N 2.85Å; Q761-C765 PolarHBondContact OE1-O 2.99Å; Q761-L766 HydrophobicContact CG-CD1 3.83Å; Q761-L770 PolarHBondContact NE2-O 3.15Å
762	T	90	Very high	94	Very high	22 Å²	22	12.7 Å²	12.7	14%	0.135	7%	0.073	C	C	.	.	S	Bend	trans	-124.8	20.4	174.6	63.2	0	0	0	0	112.7	V472 F473 R574	V472-T762 HydrophobicContact CG1-CG2 3.78Å; F473-T762 HydrophobicContact CE1-CG2 3.93Å; F473-T762 HydrophobicContact CE2-CG2 3.75Å; F473-T762 HydrophobicContact CZ-CG2 3.22Å; R574-T762 PolarHBondContact NH1-O 3.33Å; R574-T762 VanDerWaalsContact NH1-O 3.07Å
763	S	92.1	Very high	93.7	Very high	6 Å²	6	12.1 Å²	12.1	4%	0.042	7%	0.065	C	C	.	.	S	Bend	trans	-150.2	164.5	-175.2	83.1	0	0	0	0	110.1	S567 N718 A722 C765	S567-S763 VanDerWaalsContact OG-CB 3.32Å; S567-S763 WeakPolarHBondContact OG-CB 3.1Å; S567-S763 PolarHBondContact OG-OG 2.6Å; N718-S763 PolarHBondContact ND2-O 2.89Å; A722-S763 VanDerWaalsContact CB-CA 3.48Å; S763-C765 PolarHBondContact O-N 2.91Å; S763-C765 VanDerWaalsContact O-N 3.08Å; S763-C765 PolarHBondContact OG-N 2.94Å; S763-C765 VanDerWaalsContact OG-N 3.16Å; S763-C765 PolarHBondContact OG-O 3.45Å
764	P	95.4	Very high	93.5	Very high	10 Å²	10	13.5 Å²	13.5	7%	0.065	8%	0.078	C	C	.	.	S	Bend	trans	-73.8	9.1	174.2	-14	31.7	0	0	0	114.7	L566 A722 I723 D725 G793 R794	L566-P764 HydrophobicContact CD2-CG 4.4Å; A722-P764 HydrophobicContact CB-CG 4.17Å; I723-P764 HydrophobicContact CB-CG 4.4Å; I723-P764 HydrophobicContact CD1-CG 3.67Å; I723-P764 HydrophobicContact CG1-CG 3.72Å; D725-P764 WeakPolarHBondContact OD2-CA 3.49Å; P764-G793 CarbonylContact O-C 3.56Å; P764-G793 VanDerWaalsContact O-C 3.24Å; P764-G793 WeakPolarHBondContact O-CA 3.29Å; P764-R794 PolarHBondContact O-N 3.41Å; P764-R794 PolarHBondContact O-NH1 3.2Å
765	C	96	Very high	93.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	8%	0.078	C	C	.	.	S	Bend	trans	-112.1	149.3	178.6	-80.1	0	0	0	0	110.6	R563 L566 Q761 S763 G793	R563-C765 HydrophobicContact CB-CB 3.86Å; R563-C765 HydrophobicContact CG-CB 3.69Å; L566-C765 VanDerWaalsContact CD1-SG 3.55Å; Q761-C765 PolarHBondContact OE1-O 2.99Å; S763-C765 PolarHBondContact O-N 2.91Å; S763-C765 VanDerWaalsContact O-N 3.08Å; S763-C765 PolarHBondContact OG-N 2.94Å; S763-C765 VanDerWaalsContact OG-N 3.16Å; S763-C765 PolarHBondContact OG-O 3.45Å; C765-G793 PolarHBondContact SG-O 2.95Å
766	L	95.5	Very high	93.3	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	8%	0.075	C	C	.	.			trans	-117.4	115.7	-172.7	178.4	61.7	0	0	0	111.2	F687 Q761 F768 L771 I789 R794 N799	F687-L766 HydrophobicContact CB-CD2 4Å; F687-L766 HydrophobicContact CD1-CD1 3.7Å; F687-L766 HydrophobicContact CD1-CD2 3.46Å; F687-L766 VanDerWaalsContact CD1-CD2 3.46Å; F687-L766 HydrophobicContact CD1-CG 4.24Å; F687-L766 HydrophobicContact CD2-CD2 4.13Å; F687-L766 HydrophobicContact CE1-CD1 3.71Å; F687-L766 HydrophobicContact CE1-CD2 3.9Å; F687-L766 HydrophobicContact CE1-CG 4.42Å; F687-L766 HydrophobicContact CE2-CD2 4.49Å; F687-L766 HydrophobicContact CG-CD2 3.6Å; F687-L766 HydrophobicContact CZ-CD2 4.39Å; Q761-L766 HydrophobicContact CG-CD1 3.83Å; L766-F768 HydrophobicContact CD2-CD2 4.24Å; L766-F768 HydrophobicContact CD2-CE2 3.39Å; L766-F768 HydrophobicContact CD2-CZ 3.66Å; L766-F768 HydrophobicContact CG-CD2 4.06Å; L766-F768 HydrophobicContact CG-CE2 3.71Å; L766-F768 HydrophobicContact CG-CZ 4.29Å; L766-L771 HydrophobicContact CD1-CD2 3.63Å; L766-I789 HydrophobicContact CD2-CG2 4.04Å; L766-R794 HydrophobicContact CB-CB 4.12Å; L766-R794 HydrophobicContact CB-CG 4.12Å; L766-R794 HydrophobicContact CD2-CB 4.49Å; L766-N799 PolarHBondContact O-ND2 3.08Å
767	D	92.1	Very high	93.2	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	9%	0.092	C	C	.	.			trans	-108.3	106.2	176.6	-170.4	-17.3	0	0	0	111.1	P491 R769 L770	P491-D767 HydrophobicContact CB-CB 4.25Å; P491-D767 HydrophobicContact CG-CB 4.47Å; D767-R769 PolarHBondContact O-N 2.61Å; D767-R769 VanDerWaalsContact O-N 3.1Å; D767-R769 WeakPolarHBondContact OD1-CB 3.27Å; D767-R769 WeakPolarHBondContact OD1-CG 3.4Å; D767-R769 PolarHBondContact OD1-N 3.05Å; D767-R769 IonicContact OD1-NE 2.82Å; D767-R769 PolarHBondContact OD1-NE 3.41Å; D767-R769 IonicContact OD2-CZ 2.7Å; D767-R769 VanDerWaalsContact OD2-CZ 3.3Å; D767-R769 IonicContact OD2-NE 3.12Å; D767-R769 PolarHBondContact OD2-NE 3.16Å; D767-R769 IonicContact OD2-NH2 2.73Å; D767-R769 PolarHBondContact OD2-NH2 2.89Å; D767-L770 HydrophobicContact CB-CB 4.35Å; D767-L770 HydrophobicContact CB-CD1 4.4Å; D767-L770 CarbonylContact O-C 3.6Å; D767-L770 WeakPolarHBondContact O-CA 3.26Å; D767-L770 PolarHBondContact O-N 2.96Å
768	F	93.1	Very high	93.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.5	179.1	-74.5	-97.5	0	0	0	113.8	M479 F480 L483 Y489 F687 L766 L770 L771 I789 N799 F804	M479-F768 WeakPolarHBondContact CA-O 3.5Å; F480-F768 HydrophobicContact CB-CB 4.23Å; F480-F768 HydrophobicContact CB-CD1 3.73Å; F480-F768 HydrophobicContact CB-CG 4.49Å; F480-F768 AromaticContact CD1-CD1 3.54Å; F480-F768 HydrophobicContact CD1-CD1 3.54Å; F480-F768 AromaticContact CD1-CE1 3.76Å; F480-F768 HydrophobicContact CD1-CE1 3.76Å; F480-F768 HydrophobicContact CE1-CD1 4.33Å; F480-F768 HydrophobicContact CE1-CE1 4.09Å; F480-F768 AromaticContact CG-CD1 3.83Å; F480-F768 HydrophobicContact CG-CD1 3.83Å; F480-F768 HydrophobicContact CG-CE1 4.35Å; F480-F768 PolarHBondContact N-O 3.47Å; L483-F768 HydrophobicContact CD1-CB 3.99Å; L483-F768 HydrophobicContact CD2-CB 4Å; L483-F768 HydrophobicContact CD2-CG 4.5Å; L483-F768 HydrophobicContact CG-CB 4.21Å; Y489-F768 HydrophobicContact CE1-CB 4.25Å; Y489-F768 HydrophobicContact CE2-CB 3.99Å; Y489-F768 HydrophobicContact CE2-CD2 4.35Å; Y489-F768 PolarHBondContact OH-N 2.96Å; F687-F768 HydrophobicContact CD2-CZ 4.21Å; F687-F768 HydrophobicContact CE1-CE1 4.46Å; F687-F768 HydrophobicContact CE1-CZ 4.49Å; F687-F768 AromaticContact CE2-CE1 3.67Å; F687-F768 HydrophobicContact CE2-CE1 3.67Å; F687-F768 AromaticContact CE2-CZ 3.64Å; F687-F768 HydrophobicContact CE2-CZ 3.64Å; F687-F768 HydrophobicContact CZ-CD1 4.49Å; F687-F768 AromaticContact CZ-CE1 3.56Å; F687-F768 HydrophobicContact CZ-CE1 3.56Å; F687-F768 AromaticContact CZ-CZ 3.81Å; F687-F768 HydrophobicContact CZ-CZ 3.81Å; L766-F768 HydrophobicContact CD2-CD2 4.24Å; L766-F768 HydrophobicContact CD2-CE2 3.39Å; L766-F768 HydrophobicContact CD2-CZ 3.66Å; L766-F768 HydrophobicContact CG-CD2 4.06Å; L766-F768 HydrophobicContact CG-CE2 3.71Å; L766-F768 HydrophobicContact CG-CZ 4.29Å; F768-L770 VanDerWaalsContact C-N 3.26Å; F768-L771 HydrophobicContact CD1-CD1 3.78Å; F768-L771 HydrophobicContact CD1-CG 4.47Å; F768-L771 HydrophobicContact CE1-CD1 4.16Å; F768-I789 HydrophobicContact CE2-CD1 3.8Å; F768-I789 HydrophobicContact CZ-CD1 3.83Å; F768-I789 HydrophobicContact CZ-CG1 4.27Å; F768-N799 WeakPolarHBondContact CD2-OD1 3.26Å; F768-F804 AromaticContact CD1-CE1 3.69Å; F768-F804 HydrophobicContact CD1-CE1 3.69Å; F768-F804 HydrophobicContact CD1-CZ 4.15Å; F768-F804 HydrophobicContact CD2-CE1 4.29Å; F768-F804 AromaticContact CD2-CZ 3.98Å; F768-F804 HydrophobicContact CD2-CZ 3.98Å; F768-F804 AromaticContact CE1-CE1 3.65Å; F768-F804 HydrophobicContact CE1-CE1 3.65Å; F768-F804 AromaticContact CE1-CZ 3.92Å; F768-F804 HydrophobicContact CE1-CZ 3.92Å; F768-F804 HydrophobicContact CE2-CE1 4.25Å; F768-F804 AromaticContact CE2-CZ 3.72Å; F768-F804 HydrophobicContact CE2-CZ 3.72Å; F768-F804 HydrophobicContact CG-CE1 4.02Å; F768-F804 HydrophobicContact CG-CZ 4.18Å; F768-F804 AromaticContact CZ-CE1 3.93Å; F768-F804 HydrophobicContact CZ-CE1 3.93Å; F768-F804 AromaticContact CZ-CZ 3.69Å; F768-F804 HydrophobicContact CZ-CZ 3.69Å
769	R	85.5	Confident	93.3	Very high	7 Å²	7	14.5 Å²	14.5	3%	0.026	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.2	164.5	-51.3	173.6	-63.8	177.7	0.9	111.8	D158 P175 L178 E478 M479 Y489 D767	D158-R769 IonicContact OD1-NH1 3.18Å; D158-R769 PolarHBondContact OD1-NH1 3.26Å; P175-R769 PolarHBondContact O-NH1 3.21Å; L178-R769 HydrophobicContact CD1-CB 3.76Å; L178-R769 HydrophobicContact CD1-CG 4.42Å; E478-R769 CarbonylContact C-O 3.6Å; M479-R769 WeakPolarHBondContact CA-O 3.45Å; M479-R769 HydrophobicContact CE-CB 3.92Å; M479-R769 HydrophobicContact CE-CG 3.94Å; M479-R769 PolarHBondContact N-O 3.4Å; Y489-R769 HydrophobicContact CD1-CG 3.47Å; Y489-R769 VanDerWaalsContact CD1-CG 3.47Å; Y489-R769 HydrophobicContact CE1-CG 3.66Å; D767-R769 PolarHBondContact O-N 2.61Å; D767-R769 VanDerWaalsContact O-N 3.1Å; D767-R769 WeakPolarHBondContact OD1-CB 3.27Å; D767-R769 WeakPolarHBondContact OD1-CG 3.4Å; D767-R769 PolarHBondContact OD1-N 3.05Å; D767-R769 IonicContact OD1-NE 2.82Å; D767-R769 PolarHBondContact OD1-NE 3.41Å; D767-R769 IonicContact OD2-CZ 2.7Å; D767-R769 VanDerWaalsContact OD2-CZ 3.3Å; D767-R769 IonicContact OD2-NE 3.12Å; D767-R769 PolarHBondContact OD2-NE 3.16Å; D767-R769 IonicContact OD2-NH2 2.73Å; D767-R769 PolarHBondContact OD2-NH2 2.89Å
770	L	85.9	Confident	93.4	Very high	21 Å²	21	20.2 Å²	20.2	11%	0.11	11%	0.108	C	C	.	.	S	Bend	trans	-139.5	51.8	-160.3	-61.4	175	0	0	0	112.3	P157 L178 L377 L477 Q761 D767 F768	P157-L770 HydrophobicContact CG-CD1 4.37Å; L178-L770 HydrophobicContact CD1-CD2 4.22Å; L377-L770 HydrophobicContact CD1-CD1 4.15Å; L377-L770 HydrophobicContact CD1-CD2 3.75Å; L377-L770 HydrophobicContact CD2-CD1 3.87Å; L377-L770 HydrophobicContact CD2-CD2 4.19Å; L377-L770 HydrophobicContact CD2-CG 4.47Å; L377-L770 HydrophobicContact CG-CD2 4.46Å; L477-L770 HydrophobicContact CD1-CB 4.14Å; Q761-L770 PolarHBondContact NE2-O 3.15Å; D767-L770 HydrophobicContact CB-CB 4.35Å; D767-L770 HydrophobicContact CB-CD1 4.4Å; D767-L770 CarbonylContact O-C 3.6Å; D767-L770 WeakPolarHBondContact O-CA 3.26Å; D767-L770 PolarHBondContact O-N 2.96Å; F768-L770 VanDerWaalsContact C-N 3.26Å
771	L	91.4	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	152.7	174.6	-58.3	-167.8	0	0	0	111.9	L477 E478 F480 F687 N759 L766 F768 S773 L775 V776	L477-L771 CarbonylContact C-O 3.39Å; L477-L771 VanDerWaalsContact CA-O 3.26Å; L477-L771 WeakPolarHBondContact CA-O 3.41Å; E478-L771 PolarHBondContact N-O 3.14Å; E478-L771 PolarHBondContact O-N 2.98Å; F480-L771 HydrophobicContact CB-CD1 3.86Å; F480-L771 HydrophobicContact CB-CG 4.49Å; F480-L771 HydrophobicContact CD2-CD1 3.67Å; F480-L771 HydrophobicContact CE2-CD1 4.32Å; F480-L771 HydrophobicContact CG-CD1 3.82Å; F687-L771 HydrophobicContact CE1-CD1 4.15Å; F687-L771 HydrophobicContact CE1-CD2 4.26Å; F687-L771 HydrophobicContact CZ-CD1 3.9Å; N759-L771 WeakPolarHBondContact O-CA 3.36Å; L766-L771 HydrophobicContact CD1-CD2 3.63Å; F768-L771 HydrophobicContact CD1-CD1 3.78Å; F768-L771 HydrophobicContact CD1-CG 4.47Å; F768-L771 HydrophobicContact CE1-CD1 4.16Å; L771-S773 PolarHBondContact O-N 3.23Å; L771-L775 HydrophobicContact CB-CD2 4.5Å; L771-L775 HydrophobicContact CD1-CD2 4.08Å; L771-V776 HydrophobicContact CB-CG2 3.87Å
772	A	91.7	Very high	93.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	129.3	174.7	0	0	0	0	0	111.8	L477 E758 N759 S774 L775 V776	L477-A772 HydrophobicContact CD2-CB 4.41Å; E758-A772 HydrophobicContact CG-CB 4.07Å; E758-A772 WeakPolarHBondContact O-CB 3.3Å; N759-A772 PolarHBondContact O-N 3.01Å; A772-S774 PolarHBondContact O-N 2.68Å; A772-S774 VanDerWaalsContact O-N 3.09Å; A772-L775 WeakPolarHBondContact O-CB 3.34Å; A772-L775 PolarHBondContact O-N 2.92Å; A772-V776 PolarHBondContact O-N 2.68Å; A772-V776 VanDerWaalsContact O-N 3.11Å
773	S	90.5	Very high	94.2	Very high	13 Å²	13	32.6 Å²	32.6	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-53.9	-32.3	-179.4	-82.4	0	0	0	0	113.6	S476 E478 L771 V776 Q777	S476-S773 WeakPolarHBondContact CB-OG 3.32Å; S476-S773 WeakPolarHBondContact O-CB 3.37Å; S476-S773 PolarHBondContact O-N 3.46Å; S476-S773 PolarHBondContact O-OG 3.33Å; S476-S773 PolarHBondContact OG-OG 3.42Å; E478-S773 VanDerWaalsContact OE1-CA 3.31Å; E478-S773 WeakPolarHBondContact OE1-CA 3.41Å; E478-S773 WeakPolarHBondContact OE1-CB 3.44Å; E478-S773 PolarHBondContact OE1-OG 3.38Å; L771-S773 PolarHBondContact O-N 3.23Å; S773-V776 PolarHBondContact O-N 3.5Å; S773-Q777 WeakPolarHBondContact O-CB 3.41Å; S773-Q777 VanDerWaalsContact O-CD 3.27Å; S773-Q777 WeakPolarHBondContact O-CG 3.3Å; S773-Q777 PolarHBondContact O-N 3Å; S773-Q777 PolarHBondContact O-NE2 3.34Å
774	S	93.4	Very high	94.5	Very high	62 Å²	62	32.6 Å²	32.6	43%	0.434	16%	0.156	S	C	.	.	H	α-helix	trans	-59.9	-46.7	173	41	0	0	0	0	112.4	A772 L778	A772-S774 PolarHBondContact O-N 2.68Å; A772-S774 VanDerWaalsContact O-N 3.09Å; S774-L778 VanDerWaalsContact O-CB 3.26Å; S774-L778 WeakPolarHBondContact O-CB 3.41Å; S774-L778 PolarHBondContact O-N 3.47Å
775	L	96.9	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-43.8	175.1	169.8	62.2	0	0	0	111.7	L685 F687 I714 T716 A757 N759 L771 A772 Q777 L778 A779	L685-L775 HydrophobicContact CD1-CD1 3.67Å; L685-L775 HydrophobicContact CD2-CD1 4.21Å; F687-L775 HydrophobicContact CE1-CD2 3.91Å; F687-L775 HydrophobicContact CZ-CD2 4.17Å; I714-L775 HydrophobicContact CG2-CD1 4.26Å; T716-L775 HydrophobicContact CG2-CD1 4.42Å; T716-L775 HydrophobicContact CG2-CD2 4.04Å; A757-L775 HydrophobicContact CB-CB 4.16Å; A757-L775 HydrophobicContact CB-CD1 3.97Å; N759-L775 HydrophobicContact CB-CD2 4.16Å; L771-L775 HydrophobicContact CB-CD2 4.5Å; L771-L775 HydrophobicContact CD1-CD2 4.08Å; A772-L775 WeakPolarHBondContact O-CB 3.34Å; A772-L775 PolarHBondContact O-N 2.92Å; L775-Q777 VanDerWaalsContact C-N 3.33Å; L775-Q777 PolarHBondContact O-N 2.78Å; L775-L778 PolarHBondContact O-N 3.44Å; L775-A779 WeakPolarHBondContact O-CB 3.22Å; L775-A779 PolarHBondContact O-N 3.14Å
776	V	95.9	Very high	94.7	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-43	-179	-173	0	0	0	0	111	E478 F480 H481 L771 A772 S773 E780	E478-V776 HydrophobicContact CG-CB 4.06Å; E478-V776 HydrophobicContact CG-CG1 4.25Å; E478-V776 HydrophobicContact CG-CG2 3.78Å; F480-V776 HydrophobicContact CD2-CG1 4.24Å; F480-V776 HydrophobicContact CD2-CG2 4.19Å; H481-V776 PolarHBondContact CE1-O 3.01Å; L771-V776 HydrophobicContact CB-CG2 3.87Å; A772-V776 PolarHBondContact O-N 2.68Å; A772-V776 VanDerWaalsContact O-N 3.11Å; S773-V776 PolarHBondContact O-N 3.5Å; V776-E780 PolarHBondContact O-N 3.35Å; V776-E780 VanDerWaalsContact O-N 3.14Å
777	Q	96.4	Very high	94.8	Very high	112 Å²	112	33.7 Å²	33.7	52%	0.523	16%	0.162	S	C	.	.	H	α-helix	trans	-70.1	-35.6	176.7	-69	161.9	35	0	0	112.5	S773 L775 R781	S773-Q777 WeakPolarHBondContact O-CB 3.41Å; S773-Q777 VanDerWaalsContact O-CD 3.27Å; S773-Q777 WeakPolarHBondContact O-CG 3.3Å; S773-Q777 PolarHBondContact O-N 3Å; S773-Q777 PolarHBondContact O-NE2 3.34Å; L775-Q777 VanDerWaalsContact C-N 3.33Å; L775-Q777 PolarHBondContact O-N 2.78Å; Q777-R781 VanDerWaalsContact O-CB 3.25Å; Q777-R781 WeakPolarHBondContact O-CB 3.23Å; Q777-R781 PolarHBondContact O-N 2.89Å
778	L	98	Very high	95.2	Very high	18 Å²	18	33.6 Å²	33.6	9%	0.094	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-48.3	174.1	179.8	64.3	0	0	0	111.2	I714 M755 A757 S774 L775 E780 R781 E782	I714-L778 HydrophobicContact CD1-CD2 4.09Å; I714-L778 HydrophobicContact CD1-CG 3.82Å; I714-L778 HydrophobicContact CG1-CD2 4.08Å; I714-L778 HydrophobicContact CG1-CG 4.27Å; I714-L778 HydrophobicContact CG2-CD2 3.73Å; M755-L778 HydrophobicContact SD-CD1 4.03Å; A757-L778 HydrophobicContact CB-CD2 3.88Å; S774-L778 VanDerWaalsContact O-CB 3.26Å; S774-L778 WeakPolarHBondContact O-CB 3.41Å; S774-L778 PolarHBondContact O-N 3.47Å; L775-L778 PolarHBondContact O-N 3.44Å; L778-E780 VanDerWaalsContact C-N 3.3Å; L778-E780 PolarHBondContact O-N 3.2Å; L778-R781 PolarHBondContact O-N 2.92Å; L778-E782 HydrophobicContact CD1-CG 3.9Å; L778-E782 HydrophobicContact CG-CG 4.5Å; L778-E782 WeakPolarHBondContact O-CG 3.48Å; L778-E782 PolarHBondContact O-N 3.23Å
779	A	98.3	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-34.7	179.2	0	0	0	0	0	112.9	F480 L685 L775 Q783 V784	F480-A779 HydrophobicContact CE2-CB 3.68Å; F480-A779 HydrophobicContact CZ-CB 3.94Å; L685-A779 HydrophobicContact CD2-CB 4.41Å; L775-A779 WeakPolarHBondContact O-CB 3.22Å; L775-A779 PolarHBondContact O-N 3.14Å; A779-Q783 WeakPolarHBondContact O-CA 3.45Å; A779-Q783 PolarHBondContact O-N 3.11Å; A779-Q783 VanDerWaalsContact O-N 3.1Å; A779-V784 HydrophobicContact CB-CB 4.38Å; A779-V784 HydrophobicContact CB-CG2 3.79Å; A779-V784 PolarHBondContact O-N 3.21Å
780	E	97.7	Very high	96	Very high	120 Å²	120	33.3 Å²	33.3	56%	0.561	16%	0.16	S	C	*	.	H	α-helix	trans	-69.9	-45.9	174.6	-172.1	176.1	-163.6	0	0	111.1	H481 V776 L778 Q783	H481-E780 PolarHBondContact CE1-N 2.7Å; V776-E780 PolarHBondContact O-N 3.35Å; V776-E780 VanDerWaalsContact O-N 3.14Å; L778-E780 VanDerWaalsContact C-N 3.3Å; L778-E780 PolarHBondContact O-N 3.2Å; E780-Q783 VanDerWaalsContact O-CG 3.28Å; E780-Q783 WeakPolarHBondContact O-CG 3.25Å; E780-Q783 PolarHBondContact O-N 3.1Å
781	R	97.9	Very high	96.5	Very high	166 Å²	166	32.3 Å²	32.3	63%	0.626	16%	0.155	S	C	*	.	H	α-helix	trans	-63.7	-45.7	-178.6	-172.2	-171	78.2	-151.5	6	112.8	Q777 L778 Q783	Q777-R781 VanDerWaalsContact O-CB 3.25Å; Q777-R781 WeakPolarHBondContact O-CB 3.23Å; Q777-R781 PolarHBondContact O-N 2.89Å; L778-R781 PolarHBondContact O-N 2.92Å; R781-Q783 PolarHBondContact O-N 2.71Å
782	E	97.8	Very high	96.7	Very high	23 Å²	23	32.8 Å²	32.8	11%	0.107	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-8	177.5	-55.7	-56	141.8	0	0	112.5	C683 K712 I714 M755 L778	C683-E782 HydrophobicContact CB-CB 4.2Å; K712-E782 WeakPolarHBondContact CD-OE2 3.41Å; K712-E782 IonicContact NZ-OE2 3.46Å; K712-E782 PolarHBondContact NZ-OE2 2.71Å; I714-E782 HydrophobicContact CD1-CB 4.36Å; I714-E782 HydrophobicContact CD1-CG 4.42Å; M755-E782 HydrophobicContact CE-CG 3.83Å; M755-E782 HydrophobicContact SD-CG 3.84Å; L778-E782 HydrophobicContact CD1-CG 3.9Å; L778-E782 HydrophobicContact CG-CG 4.5Å; L778-E782 WeakPolarHBondContact O-CG 3.48Å; L778-E782 PolarHBondContact O-N 3.23Å
783	Q	97.2	Very high	96.9	Very high	111 Å²	111	33.1 Å²	33.1	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	64.8	-179.8	-56.8	177.3	13.4	0	0	111.5	R682 A779 E780 R781 D785	R682-Q783 VanDerWaalsContact CZ-O 3.23Å; R682-Q783 PolarHBondContact NE-O 3.45Å; R682-Q783 PolarHBondContact NH2-O 3.48Å; A779-Q783 WeakPolarHBondContact O-CA 3.45Å; A779-Q783 PolarHBondContact O-N 3.11Å; A779-Q783 VanDerWaalsContact O-N 3.1Å; E780-Q783 VanDerWaalsContact O-CG 3.28Å; E780-Q783 WeakPolarHBondContact O-CG 3.25Å; E780-Q783 PolarHBondContact O-N 3.1Å; R781-Q783 PolarHBondContact O-N 2.71Å; Q783-D785 PolarHBondContact O-N 2.83Å
784	V	98.3	Very high	97.2	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.036	16%	0.157	C	C	.	.			trans	-50.2	131.1	177.2	167	0	0	0	0	111.1	L482 C683 L685 I714 A779 L786 I787 V806	L482-V784 HydrophobicContact CD1-CB 4.06Å; L482-V784 HydrophobicContact CD1-CG1 4.01Å; C683-V784 HydrophobicContact CB-CG2 4.38Å; C683-V784 VanDerWaalsContact O-CA 3.31Å; C683-V784 WeakPolarHBondContact O-CA 2.98Å; L685-V784 HydrophobicContact CB-CG1 3.77Å; L685-V784 HydrophobicContact CB-CG2 4Å; I714-V784 HydrophobicContact CD1-CG2 3.77Å; A779-V784 HydrophobicContact CB-CB 4.38Å; A779-V784 HydrophobicContact CB-CG2 3.79Å; A779-V784 PolarHBondContact O-N 3.21Å; V784-L786 WeakPolarHBondContact CG1-O 3.44Å; V784-I787 HydrophobicContact CG1-CG1 4.2Å; V784-V806 WeakPolarHBondContact O-CG1 3.44Å
785	D	97.2	Very high	97.4	Very high	37 Å²	37	29.8 Å²	29.8	20%	0.198	14%	0.137	C	C	.	.			trans	-125.6	-3.1	-179.5	63.7	-24.8	0	0	0	114.1	Y681 R682 C683 Q783 D807	Y681-D785 WeakPolarHBondContact CA-OD2 3.42Å; R682-D785 VanDerWaalsContact N-CG 3.31Å; R682-D785 PolarHBondContact N-OD1 3.08Å; R682-D785 PolarHBondContact N-OD2 3.18Å; C683-D785 PolarHBondContact N-OD1 2.95Å; C683-D785 PolarHBondContact O-N 3.26Å; C683-D785 VanDerWaalsContact O-OD1 3.05Å; Q783-D785 PolarHBondContact O-N 2.83Å; D785-D807 PolarHBondContact O-N 2.96Å
786	L	98	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.3	162.1	172.9	65.2	0	0	0	110.8	W670 Y681 C683 I684 L685 V784 V788 D807 L809	W670-L786 HydrophobicContact CH2-CD2 3.64Å; W670-L786 HydrophobicContact CZ3-CD1 4.14Å; W670-L786 HydrophobicContact CZ3-CD2 3.8Å; Y681-L786 HydrophobicContact CD1-CB 3.69Å; Y681-L786 HydrophobicContact CD2-CB 4.2Å; Y681-L786 HydrophobicContact CD2-CD2 3.81Å; Y681-L786 HydrophobicContact CE1-CB 3.77Å; Y681-L786 HydrophobicContact CE1-CD1 4.48Å; Y681-L786 HydrophobicContact CE1-CG 4.47Å; Y681-L786 HydrophobicContact CE2-CB 4.29Å; Y681-L786 HydrophobicContact CE2-CD2 3.61Å; Y681-L786 HydrophobicContact CE2-CG 4.37Å; Y681-L786 HydrophobicContact CG-CB 3.9Å; Y681-L786 HydrophobicContact CG-CD2 4.36Å; C683-L786 PolarHBondContact O-N 3.17Å; I684-L786 WeakPolarHBondContact CA-O 3.33Å; I684-L786 HydrophobicContact CB-CD2 4.5Å; I684-L786 HydrophobicContact CD1-CD2 4.12Å; I684-L786 HydrophobicContact CG1-CB 4.2Å; I684-L786 HydrophobicContact CG1-CD2 4.09Å; I684-L786 HydrophobicContact CG2-CB 4.25Å; I684-L786 HydrophobicContact CG2-CD2 3.74Å; I684-L786 HydrophobicContact CG2-CG 4Å; L685-L786 PolarHBondContact N-O 2.81Å; V784-L786 WeakPolarHBondContact CG1-O 3.44Å; L786-V788 HydrophobicContact CD2-CG2 3.93Å; L786-V788 HydrophobicContact CG-CG2 4.01Å; L786-D807 WeakPolarHBondContact CA-O 3.36Å; L786-D807 HydrophobicContact CD1-CB 4.15Å; L786-D807 WeakPolarHBondContact CD1-O 3.22Å; L786-L809 HydrophobicContact CD1-CB 4.48Å
787	I	98.6	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.5	166.7	-59.2	160.8	0	0	0	109	F480 L482 F687 V784 I789 F804 V806 D807 T808 L809	F480-I787 HydrophobicContact CE1-CD1 3.8Å; F480-I787 HydrophobicContact CE1-CG1 4.38Å; L482-I787 HydrophobicContact CB-CD1 4.29Å; L482-I787 HydrophobicContact CD1-CD1 4.26Å; F687-I787 HydrophobicContact CD2-CG2 4.24Å; F687-I787 HydrophobicContact CE2-CG2 4.03Å; V784-I787 HydrophobicContact CG1-CG1 4.2Å; I787-I789 HydrophobicContact CG2-CD1 4.41Å; I787-I789 HydrophobicContact CG2-CG1 3.83Å; I787-F804 HydrophobicContact CD1-CB 3.87Å; I787-F804 HydrophobicContact CD1-CD1 3.49Å; I787-F804 VanDerWaalsContact CD1-CD1 3.49Å; I787-F804 HydrophobicContact CD1-CD2 4.31Å; I787-F804 HydrophobicContact CD1-CE1 4.09Å; I787-F804 HydrophobicContact CD1-CG 3.62Å; I787-V806 HydrophobicContact CD1-CG2 3.44Å; I787-V806 VanDerWaalsContact CD1-CG2 3.44Å; I787-V806 HydrophobicContact CG1-CG2 3.67Å; I787-D807 PolarHBondContact N-O 3.07Å; I787-T808 HydrophobicContact CB-CG2 4.47Å; I787-T808 CarbonylContact O-C 3.56Å; I787-T808 WeakPolarHBondContact O-CA 3.48Å; I787-L809 PolarHBondContact O-N 2.82Å
788	V	98.7	Very high	97.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.3	170.3	-174.2	0	0	0	0	108.4	I684 L685 I686 F687 F702 L786 L809 I811	I684-V788 HydrophobicContact CG2-CG2 3.87Å; L685-V788 PolarHBondContact O-N 3.15Å; I686-V788 HydrophobicContact CB-CB 4.44Å; I686-V788 HydrophobicContact CG1-CB 4.19Å; I686-V788 HydrophobicContact CG1-CG2 4.31Å; I686-V788 HydrophobicContact CG2-CB 4.29Å; I686-V788 HydrophobicContact CG2-CG1 4.37Å; F687-V788 PolarHBondContact N-O 2.96Å; F702-V788 HydrophobicContact CE1-CG1 4.49Å; F702-V788 HydrophobicContact CE1-CG2 4.17Å; F702-V788 HydrophobicContact CZ-CG2 4.37Å; L786-V788 HydrophobicContact CD2-CG2 3.93Å; L786-V788 HydrophobicContact CG-CG2 4.01Å; V788-L809 CarbonylContact C-O 3.54Å; V788-L809 WeakPolarHBondContact CA-O 3.19Å; V788-L809 HydrophobicContact CG1-CD2 4.36Å; V788-L809 HydrophobicContact CG2-CB 4.39Å; V788-I811 HydrophobicContact CG1-CG2 4.48Å
789	I	98.6	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	103	174.1	-43.6	178	0	0	0	106.9	L766 F768 I787 R794 A795 N799 F804 L809 K810 I811	L766-I789 HydrophobicContact CD2-CG2 4.04Å; F768-I789 HydrophobicContact CE2-CD1 3.8Å; F768-I789 HydrophobicContact CZ-CD1 3.83Å; F768-I789 HydrophobicContact CZ-CG1 4.27Å; I787-I789 HydrophobicContact CG2-CD1 4.41Å; I787-I789 HydrophobicContact CG2-CG1 3.83Å; I789-R794 HydrophobicContact CG2-CB 3.77Å; I789-A795 HydrophobicContact CB-CB 4.2Å; I789-A795 HydrophobicContact CG2-CB 3.82Å; I789-N799 HydrophobicContact CD1-CB 4.11Å; I789-F804 HydrophobicContact CD1-CE2 3.93Å; I789-F804 HydrophobicContact CD1-CZ 4.05Å; I789-L809 PolarHBondContact N-O 2.94Å; I789-K810 HydrophobicContact CB-CG 4.21Å; I789-K810 HydrophobicContact CD1-CG 4.21Å; I789-K810 HydrophobicContact CG1-CG 4.45Å; I789-K810 WeakPolarHBondContact O-CA 3.34Å; I789-I811 PolarHBondContact O-N 3.48Å
790	E	97.3	Very high	97.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.4	178.8	-175.5	-83.1	112.9	0	0	108.5	L620 N624 F687 D689 V699 R794 I811	L620-E790 HydrophobicContact CD2-CG 4.48Å; N624-E790 PolarHBondContact ND2-OE1 2.83Å; F687-E790 PolarHBondContact O-N 3.09Å; D689-E790 VanDerWaalsContact CB-OE1 3.25Å; D689-E790 WeakPolarHBondContact CB-OE1 3.23Å; D689-E790 WeakPolarHBondContact CB-OE2 3.4Å; D689-E790 PolarHBondContact N-OE2 3.48Å; V699-E790 HydrophobicContact CG2-CG 4.39Å; E790-R794 WeakPolarHBondContact O-CB 3.33Å; E790-R794 WeakPolarHBondContact O-CD 3.49Å; E790-I811 CarbonylContact C-O 3.51Å; E790-I811 WeakPolarHBondContact CA-O 3.47Å; E790-I811 HydrophobicContact CB-CG2 3.93Å; E790-I811 HydrophobicContact CG-CG2 4Å
791	G	96.1	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	106	143.7	171.4	0	0	0	0	0	117.7	N624 D689 G793 R794 A795 I811	N624-G791 WeakPolarHBondContact ND2-CA 3.49Å; D689-G791 VanDerWaalsContact OD2-CA 3.23Å; D689-G791 WeakPolarHBondContact OD2-CA 3.36Å; G791-G793 PolarHBondContact O-N 2.87Å; G791-R794 PolarHBondContact O-N 2.68Å; G791-A795 VanDerWaalsContact O-CB 3.26Å; G791-A795 WeakPolarHBondContact O-CB 3.33Å; G791-A795 PolarHBondContact O-N 3.49Å; G791-I811 PolarHBondContact N-O 3.45Å
792	M	95.5	Very high	96.9	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-64.5	-39.4	-177.2	-175.1	173.8	69.6	0	0	112.4	A630 I796 H797 K815 L819	A630-M792 HydrophobicContact CB-CE 4.05Å; M792-I796 HydrophobicContact CG-CB 4.17Å; M792-I796 HydrophobicContact CG-CD1 4.27Å; M792-I796 WeakPolarHBondContact O-CA 3.37Å; M792-I796 WeakPolarHBondContact O-CB 3.39Å; M792-I796 PolarHBondContact O-N 3.25Å; M792-I796 VanDerWaalsContact O-N 3.07Å; M792-H797 PolarHBondContact O-N 2.89Å; M792-K815 HydrophobicContact CE-CB 3.9Å; M792-K815 HydrophobicContact SD-CB 4.07Å; M792-K815 PolarHBondContact SD-N 2.92Å; M792-L819 HydrophobicContact SD-CD2 4.06Å
793	G	95.8	Very high	96.8	Very high	7 Å²	7	20.4 Å²	20.4	7%	0.072	10%	0.103	C	C	.	.	I	π-helix	trans	-66.9	-43.3	175.9	0	0	0	0	0	112.9	P764 C765 G791 C798	P764-G793 CarbonylContact O-C 3.56Å; P764-G793 VanDerWaalsContact O-C 3.24Å; P764-G793 WeakPolarHBondContact O-CA 3.29Å; C765-G793 PolarHBondContact SG-O 2.95Å; G791-G793 PolarHBondContact O-N 2.87Å; G793-C798 PolarHBondContact O-N 3.39Å; G793-C798 VanDerWaalsContact O-N 3.09Å
794	R	97.7	Very high	96.7	Very high	2 Å²	2	16 Å²	16	1%	0.008	8%	0.082	C	C	.	.	I	π-helix	trans	-78.1	-36.3	-175.3	-62.3	159.1	166.7	58.7	-2.1	113.7	C688 D689 N718 D725 P764 L766 I789 E790 G791 C798 N799	C688-R794 PolarHBondContact O-NE 2.96Å; C688-R794 PolarHBondContact O-NH2 3.42Å; D689-R794 VanDerWaalsContact OD1-CD 3.29Å; D689-R794 WeakPolarHBondContact OD1-CD 3.28Å; D689-R794 IonicContact OD1-CZ 2.79Å; D689-R794 VanDerWaalsContact OD1-CZ 3.29Å; D689-R794 IonicContact OD1-NE 2.9Å; D689-R794 IonicContact OD1-NH1 2.82Å; D689-R794 PolarHBondContact OD1-NH1 2.9Å; N718-R794 PolarHBondContact OD1-NH2 2.92Å; D725-R794 IonicContact OD1-NH1 3.7Å; D725-R794 IonicContact OD2-CZ 2.89Å; D725-R794 IonicContact OD2-NH1 2.97Å; D725-R794 PolarHBondContact OD2-NH1 2.83Å; D725-R794 IonicContact OD2-NH2 2.68Å; D725-R794 PolarHBondContact OD2-NH2 3.06Å; P764-R794 PolarHBondContact O-N 3.41Å; P764-R794 PolarHBondContact O-NH1 3.2Å; L766-R794 HydrophobicContact CB-CB 4.12Å; L766-R794 HydrophobicContact CB-CG 4.12Å; L766-R794 HydrophobicContact CD2-CB 4.49Å; I789-R794 HydrophobicContact CG2-CB 3.77Å; E790-R794 WeakPolarHBondContact O-CB 3.33Å; E790-R794 WeakPolarHBondContact O-CD 3.49Å; G791-R794 PolarHBondContact O-N 2.68Å; R794-C798 CarbonylContact C-O 3.59Å; R794-C798 CarbonylContact O-C 3.52Å; R794-N799 WeakPolarHBondContact O-CB 3.37Å; R794-N799 PolarHBondContact O-ND2 2.63Å
795	A	97.5	Very high	96.7	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.017	10%	0.096	C	C	.	.	I	π-helix	trans	-117.8	-13.4	-168.6	0	0	0	0	0	116.2	I789 G791 C798 L800 K810	I789-A795 HydrophobicContact CB-CB 4.2Å; I789-A795 HydrophobicContact CG2-CB 3.82Å; G791-A795 VanDerWaalsContact O-CB 3.26Å; G791-A795 WeakPolarHBondContact O-CB 3.33Å; G791-A795 PolarHBondContact O-N 3.49Å; A795-C798 CarbonylContact C-O 3.55Å; A795-C798 VanDerWaalsContact CA-O 3.28Å; A795-C798 WeakPolarHBondContact CA-O 3.34Å; A795-L800 WeakPolarHBondContact O-CA 3.34Å; A795-L800 PolarHBondContact O-N 2.89Å; A795-K810 HydrophobicContact CB-CB 4.19Å; A795-K810 HydrophobicContact CB-CG 4.43Å
796	I	96.7	Very high	96.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.092	C	C	.	.	I	π-helix	trans	-114.4	-56.9	175.2	-54.1	-173.6	0	0	0	111.5	T493 W494 M792 C798 A812 I814 L819 L823 I831	T493-I796 VanDerWaalsContact CB-O 3.24Å; T493-I796 WeakPolarHBondContact CB-O 3.44Å; T493-I796 PolarHBondContact OG1-O 3.33Å; W494-I796 HydrophobicContact CH2-CG2 4.03Å; W494-I796 HydrophobicContact CZ3-CG2 4.15Å; W494-I796 WeakPolarHBondContact CZ3-O 3.28Å; M792-I796 HydrophobicContact CG-CB 4.17Å; M792-I796 HydrophobicContact CG-CD1 4.27Å; M792-I796 WeakPolarHBondContact O-CA 3.37Å; M792-I796 WeakPolarHBondContact O-CB 3.39Å; M792-I796 PolarHBondContact O-N 3.25Å; M792-I796 VanDerWaalsContact O-N 3.07Å; I796-C798 VanDerWaalsContact C-N 3.34Å; I796-C798 CarbonylContact C-O 3.58Å; I796-C798 PolarHBondContact N-O 3.45Å; I796-C798 VanDerWaalsContact N-O 3.17Å; I796-A812 HydrophobicContact CD1-CB 3.63Å; I796-A812 HydrophobicContact CG1-CB 3.83Å; I796-I814 HydrophobicContact CD1-CG1 3.62Å; I796-L819 HydrophobicContact CG2-CD2 4.17Å; I796-L823 HydrophobicContact CG2-CD1 4.03Å; I796-I831 HydrophobicContact CD1-CB 4.28Å; I796-I831 HydrophobicContact CD1-CD1 3.81Å; I796-I831 HydrophobicContact CD1-CG1 4.12Å; I796-I831 HydrophobicContact CG1-CD1 4.15Å
797	H	95.8	Very high	96.6	Very high	12 Å²	12	18 Å²	18	6%	0.056	10%	0.095	C	C	.	.	I	π-helix	trans	-63.9	-42.2	176	-68.4	-49.4	0	0	0	111.5	T493 W506 V562 M792	T493-H797 PolarHBondContact N-O 3.12Å; T493-H797 PolarHBondContact OG1-O 3.39Å; W506-H797 AromaticContact CH2-CE1 3.42Å; W506-H797 VanDerWaalsContact CH2-CE1 3.42Å; W506-H797 WeakPolarHBondContact CH2-CE1 3.36Å; W506-H797 AromaticContact CH2-NE2 3.96Å; W506-H797 AromaticContact CZ2-CE1 3.57Å; V562-H797 HydrophobicContact CB-CB 4.42Å; V562-H797 HydrophobicContact CG1-CB 4.43Å; M792-H797 PolarHBondContact O-N 2.89Å
798	C	95.4	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-105.8	163.6	163.1	-66	0	0	0	0	112.2	P491 G793 R794 A795 I796 L800	P491-C798 CarbonylContact O-C 3.59Å; P491-C798 WeakPolarHBondContact O-CA 3.39Å; G793-C798 PolarHBondContact O-N 3.39Å; G793-C798 VanDerWaalsContact O-N 3.09Å; R794-C798 CarbonylContact C-O 3.59Å; R794-C798 CarbonylContact O-C 3.52Å; A795-C798 CarbonylContact C-O 3.55Å; A795-C798 VanDerWaalsContact CA-O 3.28Å; A795-C798 WeakPolarHBondContact CA-O 3.34Å; I796-C798 VanDerWaalsContact C-N 3.34Å; I796-C798 CarbonylContact C-O 3.58Å; I796-C798 PolarHBondContact N-O 3.45Å; I796-C798 VanDerWaalsContact N-O 3.17Å; C798-L800 PolarHBondContact O-N 2.97Å
799	N	96.7	Very high	96.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	61.6	-2.4	163	-56.3	-62.2	0	0	0	119.3	Y489 P491 L766 F768 I789 R794 N801 S802 K810	Y489-N799 WeakPolarHBondContact CE2-OD1 3.37Å; Y489-N799 PolarHBondContact OH-OD1 2.91Å; P491-N799 PolarHBondContact O-N 3.45Å; L766-N799 PolarHBondContact O-ND2 3.08Å; F768-N799 WeakPolarHBondContact CD2-OD1 3.26Å; I789-N799 HydrophobicContact CD1-CB 4.11Å; R794-N799 WeakPolarHBondContact O-CB 3.37Å; R794-N799 PolarHBondContact O-ND2 2.63Å; N799-N801 PolarHBondContact O-N 3.27Å; N799-S802 WeakPolarHBondContact CA-OG 3.37Å; N799-S802 PolarHBondContact O-N 3Å; N799-K810 WeakPolarHBondContact O-CE 3.33Å; N799-K810 PolarHBondContact O-NZ 3.02Å
800	L	96.4	Very high	96.6	Very high	15 Å²	15	18.2 Å²	18.2	8%	0.079	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-41.4	-178.4	-175.2	62	0	0	0	112.1	T493 W494 A795 C798 K810 L823 I831 K833	T493-L800 HydrophobicContact CG2-CB 3.94Å; T493-L800 HydrophobicContact CG2-CD2 3.83Å; T493-L800 HydrophobicContact CG2-CG 4.49Å; T493-L800 WeakPolarHBondContact OG1-CB 3.18Å; W494-L800 HydrophobicContact CH2-CD2 4.42Å; A795-L800 WeakPolarHBondContact O-CA 3.34Å; A795-L800 PolarHBondContact O-N 2.89Å; C798-L800 PolarHBondContact O-N 2.97Å; L800-K810 PolarHBondContact O-NZ 2.83Å; L800-L823 HydrophobicContact CD2-CD2 4.1Å; L800-I831 HydrophobicContact CD1-CD1 3.96Å; L800-I831 HydrophobicContact CD1-CG2 4.27Å; L800-K833 HydrophobicContact CD1-CD 4.44Å; L800-K833 PolarHBondContact O-NZ 2.9Å
801	N	95	Very high	96.6	Very high	109 Å²	109	18.2 Å²	18.2	58%	0.583	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-8.4	-178.2	-63.9	-39.1	0	0	0	114.9	N799	N799-N801 PolarHBondContact O-N 3.27Å
802	S	94.4	Very high	96.7	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.084	10%	0.096	C	C	.	.			trans	-66.9	142	-176.2	-58.6	0	0	0	0	112.6	Y489 S490 N799 K810	Y489-S802 VanDerWaalsContact CE2-OG 3.23Å; Y489-S802 WeakPolarHBondContact CE2-OG 3.04Å; S490-S802 PolarHBondContact O-OG 3.3Å; N799-S802 WeakPolarHBondContact CA-OG 3.37Å; N799-S802 PolarHBondContact O-N 3Å; S802-K810 PolarHBondContact O-NZ 2.85Å
803	K	95.2	Very high	96.7	Very high	102 Å²	102	17.8 Å²	17.8	44%	0.443	10%	0.095	S	C	.	.			trans	-115.4	147.4	-176.5	-66	-63.9	-165.7	172.6	0	112	E484 E835	E484-K803 HydrophobicContact CB-CB 3.78Å; E484-K803 PolarHBondContact N-O 2.94Å; E484-K803 WeakPolarHBondContact OE2-CB 3.12Å; K803-E835 IonicContact NZ-OE1 3.31Å; K803-E835 PolarHBondContact NZ-OE1 3.4Å
804	F	96.7	Very high	96.7	Very high	17 Å²	17	17.5 Å²	17.5	8%	0.075	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-128.7	163.5	-177.8	-58.6	-87.6	0	0	0	111.1	F480 L482 L483 F768 I787 I789 V806 T808	F480-F804 HydrophobicContact CD1-CD1 4.47Å; F480-F804 HydrophobicContact CD1-CE1 4.34Å; L482-F804 CarbonylContact O-C 3.51Å; L482-F804 WeakPolarHBondContact O-CA 3.27Å; L482-F804 WeakPolarHBondContact O-CB 3.3Å; L483-F804 HydrophobicContact CD2-CD1 4.01Å; L483-F804 HydrophobicContact CD2-CE1 3.56Å; L483-F804 HydrophobicContact CD2-CZ 4.18Å; L483-F804 HydrophobicContact CG-CE1 4.37Å; F768-F804 AromaticContact CD1-CE1 3.69Å; F768-F804 HydrophobicContact CD1-CE1 3.69Å; F768-F804 HydrophobicContact CD1-CZ 4.15Å; F768-F804 HydrophobicContact CD2-CE1 4.29Å; F768-F804 AromaticContact CD2-CZ 3.98Å; F768-F804 HydrophobicContact CD2-CZ 3.98Å; F768-F804 AromaticContact CE1-CE1 3.65Å; F768-F804 HydrophobicContact CE1-CE1 3.65Å; F768-F804 AromaticContact CE1-CZ 3.92Å; F768-F804 HydrophobicContact CE1-CZ 3.92Å; F768-F804 HydrophobicContact CE2-CE1 4.25Å; F768-F804 AromaticContact CE2-CZ 3.72Å; F768-F804 HydrophobicContact CE2-CZ 3.72Å; F768-F804 HydrophobicContact CG-CE1 4.02Å; F768-F804 HydrophobicContact CG-CZ 4.18Å; F768-F804 AromaticContact CZ-CE1 3.93Å; F768-F804 HydrophobicContact CZ-CE1 3.93Å; F768-F804 AromaticContact CZ-CZ 3.69Å; F768-F804 HydrophobicContact CZ-CZ 3.69Å; I787-F804 HydrophobicContact CD1-CB 3.87Å; I787-F804 HydrophobicContact CD1-CD1 3.49Å; I787-F804 VanDerWaalsContact CD1-CD1 3.49Å; I787-F804 HydrophobicContact CD1-CD2 4.31Å; I787-F804 HydrophobicContact CD1-CE1 4.09Å; I787-F804 HydrophobicContact CD1-CG 3.62Å; I789-F804 HydrophobicContact CD1-CE2 3.93Å; I789-F804 HydrophobicContact CD1-CZ 4.05Å; F804-V806 VanDerWaalsContact C-N 3.26Å; F804-V806 HydrophobicContact CB-CG2 4.44Å; F804-T808 HydrophobicContact CD2-CG2 3.86Å; F804-T808 WeakPolarHBondContact CD2-OG1 3.48Å; F804-T808 HydrophobicContact CE2-CG2 4.14Å
805	T	96.9	Very high	96.5	Very high	55 Å²	55	17.4 Å²	17.4	34%	0.337	9%	0.091	S	C	.	.	S	Bend	trans	-83.1	0.9	177.4	55	0	0	0	0	113.8	L482 V837	L482-T805 WeakPolarHBondContact CA-OG1 3.43Å; L482-T805 WeakPolarHBondContact CD2-OG1 3.48Å; L482-T805 PolarHBondContact O-N 2.69Å; L482-T805 PolarHBondContact O-OG1 2.9Å; T805-V837 WeakPolarHBondContact O-CG2 3.35Å
806	V	97	Very high	96.3	Very high	18 Å²	18	17.8 Å²	17.8	11%	0.109	9%	0.093	C	C	.	.	S	Bend	trans	-131.3	164.5	-176.8	-61	0	0	0	0	110.8	L482 V784 I787 F804 T808	L482-V806 HydrophobicContact CB-CG2 4.5Å; L482-V806 HydrophobicContact CD1-CG1 4.11Å; L482-V806 HydrophobicContact CD1-CG2 3.91Å; L482-V806 HydrophobicContact CD2-CG1 4.08Å; V784-V806 WeakPolarHBondContact O-CG1 3.44Å; I787-V806 HydrophobicContact CD1-CG2 3.44Å; I787-V806 VanDerWaalsContact CD1-CG2 3.44Å; I787-V806 HydrophobicContact CG1-CG2 3.67Å; F804-V806 VanDerWaalsContact C-N 3.26Å; F804-V806 HydrophobicContact CB-CG2 4.44Å; V806-T808 PolarHBondContact O-N 2.69Å; V806-T808 PolarHBondContact O-OG1 3.37Å
807	D	97.2	Very high	96.1	Very high	13 Å²	13	19.3 Å²	19.3	7%	0.07	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	136.5	177.8	-72	-20	0	0	0	108.6	R673 Y681 D785 L786 I787 F834 P836 V837	R673-D807 IonicContact CZ-OD2 4Å; R673-D807 VanDerWaalsContact CZ-OD2 3.28Å; R673-D807 IonicContact NE-OD2 3.88Å; R673-D807 PolarHBondContact NE-OD2 2.83Å; R673-D807 IonicContact NH2-OD2 3.73Å; R673-D807 PolarHBondContact NH2-OD2 3.47Å; Y681-D807 HydrophobicContact CE1-CB 3.87Å; Y681-D807 WeakPolarHBondContact CE1-OD2 3.29Å; Y681-D807 PolarHBondContact OH-OD2 3.29Å; D785-D807 PolarHBondContact O-N 2.96Å; L786-D807 WeakPolarHBondContact CA-O 3.36Å; L786-D807 HydrophobicContact CD1-CB 4.15Å; L786-D807 WeakPolarHBondContact CD1-O 3.22Å; I787-D807 PolarHBondContact N-O 3.07Å; D807-F834 HydrophobicContact CB-CE2 4.12Å; D807-F834 HydrophobicContact CB-CZ 4.26Å; D807-P836 WeakPolarHBondContact OD1-CA 2.91Å; D807-V837 PolarHBondContact OD1-N 3.01Å
808	T	98.2	Very high	96.1	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.025	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.2	-175.1	-57.7	0	0	0	0	111.3	I787 F804 V806 K810 F834 E835	I787-T808 HydrophobicContact CB-CG2 4.47Å; I787-T808 CarbonylContact O-C 3.56Å; I787-T808 WeakPolarHBondContact O-CA 3.48Å; F804-T808 HydrophobicContact CD2-CG2 3.86Å; F804-T808 WeakPolarHBondContact CD2-OG1 3.48Å; F804-T808 HydrophobicContact CE2-CG2 4.14Å; V806-T808 PolarHBondContact O-N 2.69Å; V806-T808 PolarHBondContact O-OG1 3.37Å; T808-K810 HydrophobicContact CG2-CG 4.32Å; T808-F834 WeakPolarHBondContact O-CD2 3.48Å; T808-E835 PolarHBondContact N-O 3.12Å; T808-E835 PolarHBondContact O-N 3.44Å
809	L	98.4	Very high	96	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.7	169.6	177.3	59.4	0	0	0	109.8	W670 F702 L786 I787 V788 I789 F832 F834	W670-L809 HydrophobicContact CD2-CD2 4.49Å; W670-L809 HydrophobicContact CE3-CD2 4.45Å; W670-L809 HydrophobicContact CH2-CD2 4.22Å; W670-L809 HydrophobicContact CZ2-CD2 4.26Å; W670-L809 HydrophobicContact CZ3-CD2 4.32Å; F702-L809 HydrophobicContact CZ-CD2 4.3Å; L786-L809 HydrophobicContact CD1-CB 4.48Å; I787-L809 PolarHBondContact O-N 2.82Å; V788-L809 CarbonylContact C-O 3.54Å; V788-L809 WeakPolarHBondContact CA-O 3.19Å; V788-L809 HydrophobicContact CG1-CD2 4.36Å; V788-L809 HydrophobicContact CG2-CB 4.39Å; I789-L809 PolarHBondContact N-O 2.94Å; L809-F832 HydrophobicContact CD1-CD1 4.22Å; L809-F832 HydrophobicContact CD1-CD2 4.13Å; L809-F832 HydrophobicContact CD1-CE1 3.75Å; L809-F832 HydrophobicContact CD1-CE2 3.65Å; L809-F832 HydrophobicContact CD1-CG 4.39Å; L809-F832 HydrophobicContact CD1-CZ 3.44Å; L809-F832 VanDerWaalsContact CD1-CZ 3.44Å; L809-F832 HydrophobicContact CD2-CE2 4.07Å; L809-F832 HydrophobicContact CD2-CZ 4.07Å; L809-F832 HydrophobicContact CG-CE2 4.44Å; L809-F832 HydrophobicContact CG-CZ 4.42Å; L809-F834 HydrophobicContact CB-CD2 4.4Å; L809-F834 HydrophobicContact CD1-CB 4.25Å
810	K	98.4	Very high	95.9	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123	171.3	-70	161.2	-171.6	169	0	108.6	I789 A795 N799 L800 S802 T808 K833 E835	I789-K810 HydrophobicContact CB-CG 4.21Å; I789-K810 HydrophobicContact CD1-CG 4.21Å; I789-K810 HydrophobicContact CG1-CG 4.45Å; I789-K810 WeakPolarHBondContact O-CA 3.34Å; A795-K810 HydrophobicContact CB-CB 4.19Å; A795-K810 HydrophobicContact CB-CG 4.43Å; N799-K810 WeakPolarHBondContact O-CE 3.33Å; N799-K810 PolarHBondContact O-NZ 3.02Å; L800-K810 PolarHBondContact O-NZ 2.83Å; S802-K810 PolarHBondContact O-NZ 2.85Å; T808-K810 HydrophobicContact CG2-CG 4.32Å; K810-K833 HydrophobicContact CB-CB 4.25Å; K810-K833 HydrophobicContact CD-CD 4.38Å; K810-K833 PolarHBondContact N-O 3.28Å; K810-K833 PolarHBondContact O-N 2.92Å; K810-E835 IonicContact NZ-OE2 2.81Å; K810-E835 PolarHBondContact NZ-OE2 2.77Å
811	I	98	Very high	95.9	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.7	-172.4	-171.6	173.7	0	0	0	111.3	I617 L620 L621 V788 I789 E790 G791 I831 F832	I617-I811 HydrophobicContact CG2-CD1 3.89Å; L620-I811 HydrophobicContact CB-CD1 3.68Å; L620-I811 HydrophobicContact CD1-CD1 3.74Å; L620-I811 HydrophobicContact CG-CD1 4.37Å; L621-I811 HydrophobicContact CD2-CD1 4.03Å; L621-I811 HydrophobicContact CD2-CG1 3.62Å; L621-I811 HydrophobicContact CG-CD1 4.1Å; L621-I811 HydrophobicContact CG-CG1 4.26Å; V788-I811 HydrophobicContact CG1-CG2 4.48Å; I789-I811 PolarHBondContact O-N 3.48Å; E790-I811 CarbonylContact C-O 3.51Å; E790-I811 WeakPolarHBondContact CA-O 3.47Å; E790-I811 HydrophobicContact CB-CG2 3.93Å; E790-I811 HydrophobicContact CG-CG2 4Å; G791-I811 PolarHBondContact N-O 3.45Å; I811-I831 WeakPolarHBondContact CA-O 3.41Å; I811-F832 HydrophobicContact CD1-CD2 3.74Å; I811-F832 HydrophobicContact CD1-CE2 3.96Å; I811-F832 HydrophobicContact CG1-CD2 4.03Å
812	A	97	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	154.7	-179.9	0	0	0	0	0	112.7	I796 I831	I796-A812 HydrophobicContact CD1-CB 3.63Å; I796-A812 HydrophobicContact CG1-CB 3.83Å; A812-I831 PolarHBondContact N-O 3.44Å; A812-I831 PolarHBondContact O-N 3.44Å
813	V	96.2	Very high	95.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.4	169.6	179.3	0	0	0	0	109.4	L621 M625 K815 Y828 V830	L621-V813 HydrophobicContact CB-CG2 4.06Å; L621-V813 HydrophobicContact CD2-CG2 3.91Å; L621-V813 VanDerWaalsContact O-CG2 3.3Å; L621-V813 WeakPolarHBondContact O-CG2 3.4Å; M625-V813 HydrophobicContact CG-CB 4.34Å; M625-V813 HydrophobicContact CG-CG1 4.11Å; M625-V813 HydrophobicContact CG-CG2 4.18Å; V813-K815 HydrophobicContact CG1-CG 4.37Å; V813-K815 WeakPolarHBondContact O-CE 3.38Å; V813-K815 PolarHBondContact O-N 3.42Å; V813-Y828 HydrophobicContact CG1-CD1 4.16Å; V813-V830 HydrophobicContact CG2-CG2 4.45Å
814	I	95.3	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.			trans	-78.1	96.1	179.5	-58.4	160.8	0	0	0	110.2	L663 I796 N816 L819 A820 L823 Y828 G829 I831	L663-I814 HydrophobicContact CD2-CD1 3.58Å; I796-I814 HydrophobicContact CD1-CG1 3.62Å; I814-N816 PolarHBondContact O-N 3.44Å; I814-L819 HydrophobicContact CG2-CB 4.22Å; I814-L819 HydrophobicContact CG2-CD2 4.02Å; I814-L819 HydrophobicContact CG2-CG 3.92Å; I814-A820 HydrophobicContact CB-CB 4.47Å; I814-A820 HydrophobicContact CG2-CB 3.76Å; I814-L823 HydrophobicContact CD1-CD1 3.72Å; I814-L823 HydrophobicContact CG1-CD1 4.31Å; I814-Y828 WeakPolarHBondContact O-CA 3.47Å; I814-Y828 PolarHBondContact O-N 3.45Å; I814-G829 WeakPolarHBondContact CB-O 3.26Å; I814-G829 WeakPolarHBondContact CD1-O 3.17Å; I814-G829 VanDerWaalsContact CG1-O 3.28Å; I814-G829 WeakPolarHBondContact CG1-O 3.26Å; I814-G829 PolarHBondContact N-O 3.12Å; I814-I831 HydrophobicContact CD1-CD1 4.26Å; I814-I831 HydrophobicContact CD1-CG1 4.13Å; I814-I831 HydrophobicContact CG1-CG1 4.5Å
815	K	93.5	Very high	95.7	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	15%	0.148	C	C	.	.			trans	-85.8	26.4	-178.1	-66.7	161.1	-87.9	-179.5	0	113.6	N624 D627 A630 E632 A633 M792 V813	N624-K815 WeakPolarHBondContact O-CD 3.44Å; N624-K815 VanDerWaalsContact O-CE 3.26Å; N624-K815 WeakPolarHBondContact O-CE 3.35Å; N624-K815 PolarHBondContact O-NZ 2.96Å; N624-K815 VanDerWaalsContact OD1-CE 3.26Å; N624-K815 WeakPolarHBondContact OD1-CE 3.24Å; N624-K815 PolarHBondContact OD1-NZ 3.11Å; D627-K815 HydrophobicContact CB-CD 3.61Å; D627-K815 VanDerWaalsContact CB-NZ 3.27Å; D627-K815 WeakPolarHBondContact OD2-CD 3.42Å; D627-K815 WeakPolarHBondContact OD2-CE 3.45Å; D627-K815 IonicContact OD2-NZ 3.61Å; D627-K815 PolarHBondContact OD2-NZ 3.17Å; A630-K815 HydrophobicContact CB-CB 3.61Å; E632-K815 WeakPolarHBondContact CG-O 3.48Å; A633-K815 HydrophobicContact CB-CB 4.26Å; A633-K815 HydrophobicContact CB-CD 4.06Å; A633-K815 HydrophobicContact CB-CG 4.13Å; M792-K815 HydrophobicContact CE-CB 3.9Å; M792-K815 HydrophobicContact SD-CB 4.07Å; M792-K815 PolarHBondContact SD-N 2.92Å; V813-K815 HydrophobicContact CG1-CG 4.37Å; V813-K815 WeakPolarHBondContact O-CE 3.38Å; V813-K815 PolarHBondContact O-N 3.42Å
816	N	93.8	Very high	95.6	Very high	10 Å²	10	30 Å²	30	5%	0.053	16%	0.159	C	C	.	.			trans	-144.7	124.5	179.7	-179.4	-77	0	0	0	111.8	Y505 W506 I814 W818 L819 A820	Y505-N816 PolarHBondContact OH-ND2 2.86Å; Y505-N816 PolarHBondContact OH-OD1 3.22Å; W506-N816 HydrophobicContact CH2-CB 4.19Å; I814-N816 PolarHBondContact O-N 3.44Å; N816-W818 PolarHBondContact OD1-N 2.91Å; N816-W818 VanDerWaalsContact OD1-N 3.14Å; N816-L819 HydrophobicContact CB-CB 3.9Å; N816-L819 HydrophobicContact CB-CD2 4.41Å; N816-L819 WeakPolarHBondContact OD1-CB 3.03Å; N816-L819 PolarHBondContact OD1-N 3.24Å; N816-A820 WeakPolarHBondContact O-CB 3.47Å; N816-A820 PolarHBondContact O-N 3Å
817	S	92.8	Very high	95.4	Very high	32 Å²	32	31.4 Å²	31.4	22%	0.224	17%	0.166	C	C	.	.	H	α-helix	trans	-75.9	-24.6	-171.4	58.5	0	0	0	0	115.3	E632 R821	E632-S817 WeakPolarHBondContact OE1-CB 3.36Å; E632-S817 PolarHBondContact OE1-N 3.17Å; E632-S817 PolarHBondContact OE1-OG 3.18Å; S817-R821 PolarHBondContact O-NE 2.91Å; S817-R821 PolarHBondContact O-NH2 2.91Å
818	W	95	Very high	95.2	Very high	25 Å²	25	33.4 Å²	33.4	10%	0.095	17%	0.173	C	C	.	.	H	α-helix	trans	-75	-47.8	170.9	178.5	92	0	0	0	110.3	E501 A502 Y505 W506 N816 A820 R821 R822	E501-W818 HydrophobicContact CG-CZ2 4.35Å; E501-W818 PolarHBondContact OE1-NE1 3.43Å; A502-W818 HydrophobicContact CB-CH2 3.48Å; A502-W818 VanDerWaalsContact CB-CH2 3.48Å; A502-W818 HydrophobicContact CB-CZ2 4.05Å; A502-W818 HydrophobicContact CB-CZ3 4.19Å; Y505-W818 HydrophobicContact CD1-CB 3.86Å; Y505-W818 AromaticContact CD1-CD2 3.82Å; Y505-W818 HydrophobicContact CD1-CD2 3.82Å; Y505-W818 AromaticContact CD1-CE3 3.83Å; Y505-W818 HydrophobicContact CD1-CE3 3.83Å; Y505-W818 AromaticContact CD1-CG 3.85Å; Y505-W818 HydrophobicContact CD1-CG 3.85Å; Y505-W818 HydrophobicContact CD2-CB 3.87Å; Y505-W818 AromaticContact CD2-CG 3.93Å; Y505-W818 HydrophobicContact CD2-CG 3.93Å; Y505-W818 HydrophobicContact CE1-CB 3.55Å; Y505-W818 HydrophobicContact CE1-CD2 4.32Å; Y505-W818 HydrophobicContact CE1-CE3 4.25Å; Y505-W818 HydrophobicContact CE1-CG 4.07Å; Y505-W818 HydrophobicContact CE2-CB 3.56Å; Y505-W818 HydrophobicContact CE2-CG 4.15Å; Y505-W818 HydrophobicContact CG-CB 4.02Å; Y505-W818 AromaticContact CG-CD2 3.99Å; Y505-W818 HydrophobicContact CG-CD2 3.99Å; Y505-W818 HydrophobicContact CG-CE3 4.43Å; Y505-W818 AromaticContact CG-CG 3.78Å; Y505-W818 HydrophobicContact CG-CG 3.78Å; W506-W818 AromaticContact NE1-CZ3 3.83Å; N816-W818 PolarHBondContact OD1-N 2.91Å; N816-W818 VanDerWaalsContact OD1-N 3.14Å; W818-A820 VanDerWaalsContact C-N 3.32Å; W818-A820 PolarHBondContact O-N 2.79Å; W818-R821 PolarHBondContact O-N 3.24Å; W818-R821 VanDerWaalsContact O-N 3.1Å; W818-R822 HydrophobicContact CE3-CB 4.31Å; W818-R822 HydrophobicContact CH2-CB 4.14Å; W818-R822 HydrophobicContact CH2-CG 3.63Å; W818-R822 HydrophobicContact CZ2-CB 4.47Å; W818-R822 HydrophobicContact CZ2-CG 4.11Å; W818-R822 HydrophobicContact CZ3-CB 4.05Å; W818-R822 HydrophobicContact CZ3-CG 3.94Å; W818-R822 PolarHBondContact O-N 3.19Å
819	L	94.4	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.2	-44.9	178	176.3	59.3	0	0	0	112.2	W494 W506 M792 I796 I814 N816 R821 R822 L823	W494-L819 HydrophobicContact CE3-CD1 4.37Å; W494-L819 HydrophobicContact CH2-CD1 3.37Å; W494-L819 HydrophobicContact CZ2-CD1 3.79Å; W494-L819 HydrophobicContact CZ3-CD1 3.67Å; W506-L819 HydrophobicContact CZ2-CB 4.27Å; W506-L819 HydrophobicContact CZ2-CD2 4.42Å; M792-L819 HydrophobicContact SD-CD2 4.06Å; I796-L819 HydrophobicContact CG2-CD2 4.17Å; I814-L819 HydrophobicContact CG2-CB 4.22Å; I814-L819 HydrophobicContact CG2-CD2 4.02Å; I814-L819 HydrophobicContact CG2-CG 3.92Å; N816-L819 HydrophobicContact CB-CB 3.9Å; N816-L819 HydrophobicContact CB-CD2 4.41Å; N816-L819 WeakPolarHBondContact OD1-CB 3.03Å; N816-L819 PolarHBondContact OD1-N 3.24Å; L819-R821 VanDerWaalsContact C-N 3.34Å; L819-R821 PolarHBondContact O-N 3.28Å; L819-R822 WeakPolarHBondContact O-CB 3.14Å; L819-R822 PolarHBondContact O-N 3.3Å; L819-L823 HydrophobicContact CD1-CD1 3.81Å; L819-L823 HydrophobicContact CD1-CG 4.25Å; L819-L823 HydrophobicContact CG-CD1 3.98Å; L819-L823 WeakPolarHBondContact O-CG 3.41Å; L819-L823 PolarHBondContact O-N 2.92Å
820	A	94.7	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-47.4	176.1	0	0	0	0	0	112.2	I814 N816 W818 L823 G824 G825 Q826	I814-A820 HydrophobicContact CB-CB 4.47Å; I814-A820 HydrophobicContact CG2-CB 3.76Å; N816-A820 WeakPolarHBondContact O-CB 3.47Å; N816-A820 PolarHBondContact O-N 3Å; W818-A820 VanDerWaalsContact C-N 3.32Å; W818-A820 PolarHBondContact O-N 2.79Å; A820-L823 CarbonylContact O-C 3.58Å; A820-L823 PolarHBondContact O-N 2.67Å; A820-G824 PolarHBondContact O-N 2.94Å; A820-G825 CarbonylContact C-O 3.43Å; A820-G825 CarbonylContact O-C 3.58Å; A820-G825 WeakPolarHBondContact O-CA 3.28Å; A820-G825 PolarHBondContact O-N 2.93Å; A820-Q826 VanDerWaalsContact CB-O 3.22Å; A820-Q826 WeakPolarHBondContact CB-O 3.42Å
821	R	95.5	Very high	94.9	Very high	165 Å²	165	33.4 Å²	33.4	62%	0.623	17%	0.173	S	C	*	.	H	α-helix	trans	-66.4	-37.5	177.1	-72.7	175.1	-71.7	-171.3	-3	112	S817 W818 L819 L823 G824	S817-R821 PolarHBondContact O-NE 2.91Å; S817-R821 PolarHBondContact O-NH2 2.91Å; W818-R821 PolarHBondContact O-N 3.24Å; W818-R821 VanDerWaalsContact O-N 3.1Å; L819-R821 VanDerWaalsContact C-N 3.34Å; L819-R821 PolarHBondContact O-N 3.28Å; R821-L823 PolarHBondContact O-N 3.07Å; R821-G824 PolarHBondContact O-N 2.96Å
822	R	94.2	Very high	94.9	Very high	98 Å²	98	33.3 Å²	33.3	37%	0.37	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-31	173.8	-162.8	66	158.6	-165.3	-7	112.3	D499 E501 W818 L819	D499-R822 VanDerWaalsContact CG-NH2 3.29Å; D499-R822 IonicContact OD1-NH2 3.03Å; D499-R822 PolarHBondContact OD1-NH2 2.87Å; D499-R822 IonicContact OD2-CZ 2.75Å; D499-R822 IonicContact OD2-NE 2.73Å; D499-R822 IonicContact OD2-NH2 3.07Å; D499-R822 PolarHBondContact OD2-NH2 3.28Å; E501-R822 IonicContact OE1-NH1 3.67Å; E501-R822 PolarHBondContact OE1-NH1 3.37Å; E501-R822 IonicContact OE2-CZ 3.87Å; E501-R822 IonicContact OE2-NH1 3.91Å; E501-R822 PolarHBondContact OE2-NH1 3.23Å; E501-R822 IonicContact OE2-NH2 3.95Å; W818-R822 HydrophobicContact CE3-CB 4.31Å; W818-R822 HydrophobicContact CH2-CB 4.14Å; W818-R822 HydrophobicContact CH2-CG 3.63Å; W818-R822 HydrophobicContact CZ2-CB 4.47Å; W818-R822 HydrophobicContact CZ2-CG 4.11Å; W818-R822 HydrophobicContact CZ3-CB 4.05Å; W818-R822 HydrophobicContact CZ3-CG 3.94Å; W818-R822 PolarHBondContact O-N 3.19Å; L819-R822 WeakPolarHBondContact O-CB 3.14Å; L819-R822 PolarHBondContact O-N 3.3Å
823	L	94.7	Very high	94.9	Very high	45 Å²	45	34.9 Å²	34.9	24%	0.236	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.1	174.7	-70.1	166.4	0	0	0	113.9	W494 L663 I796 L800 I814 L819 A820 R821 I831	W494-L823 HydrophobicContact CH2-CD1 4.21Å; W494-L823 HydrophobicContact CH2-CD2 4.02Å; W494-L823 HydrophobicContact CH2-CG 4.28Å; W494-L823 HydrophobicContact CZ2-CD2 3.82Å; W494-L823 HydrophobicContact CZ2-CG 4.17Å; L663-L823 HydrophobicContact CD2-CB 3.97Å; I796-L823 HydrophobicContact CG2-CD1 4.03Å; L800-L823 HydrophobicContact CD2-CD2 4.1Å; I814-L823 HydrophobicContact CD1-CD1 3.72Å; I814-L823 HydrophobicContact CG1-CD1 4.31Å; L819-L823 HydrophobicContact CD1-CD1 3.81Å; L819-L823 HydrophobicContact CD1-CG 4.25Å; L819-L823 HydrophobicContact CG-CD1 3.98Å; L819-L823 WeakPolarHBondContact O-CG 3.41Å; L819-L823 PolarHBondContact O-N 2.92Å; A820-L823 CarbonylContact O-C 3.58Å; A820-L823 PolarHBondContact O-N 2.67Å; R821-L823 PolarHBondContact O-N 3.07Å; L823-I831 HydrophobicContact CD1-CD1 4.29Å
824	G	95.2	Very high	95	Very high	68 Å²	68	35.1 Å²	35.1	70%	0.701	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	12.4	179.2	0	0	0	0	0	115.7	A820 R821	A820-G824 PolarHBondContact O-N 2.94Å; R821-G824 PolarHBondContact O-N 2.96Å
825	G	93.4	Very high	95.1	Very high	23 Å²	23	36.4 Å²	36.4	24%	0.237	19%	0.186	C	C	.	.	S	Bend	trans	-120.3	-158.8	179.5	0	0	0	0	0	114.7	A820	A820-G825 CarbonylContact C-O 3.43Å; A820-G825 CarbonylContact O-C 3.58Å; A820-G825 WeakPolarHBondContact O-CA 3.28Å; A820-G825 PolarHBondContact O-N 2.93Å
826	Q	93.8	Very high	95.1	Very high	122 Å²	122	39.7 Å²	39.7	57%	0.57	21%	0.208	S	C	*	.			trans	-123.4	165	-178.2	64.9	-176.1	3.1	0	0	111.3	A820 G829	A820-Q826 VanDerWaalsContact CB-O 3.22Å; A820-Q826 WeakPolarHBondContact CB-O 3.42Å; Q826-G829 WeakPolarHBondContact O-CA 3.28Å; Q826-G829 PolarHBondContact O-N 2.98Å
827	L	93.3	Very high	94.9	Very high	49 Å²	49	42.2 Å²	42.2	26%	0.257	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	140.6	176.1	-178.6	65.8	0	0	0	110.5	E632 G829	E632-L827 HydrophobicContact CB-CD1 3.88Å; E632-L827 HydrophobicContact CB-CD2 4.19Å; E632-L827 HydrophobicContact CG-CD1 3.72Å; E632-L827 HydrophobicContact CG-CD2 4.25Å; L827-G829 PolarHBondContact O-N 3.25Å
828	Y	93	Very high	93.7	Very high	54 Å²	54	44.5 Å²	44.5	21%	0.212	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	15.8	-169.2	-43.4	-58.2	0	0	0	114.8	M625 E632 V813 I814 V830	M625-Y828 HydrophobicContact CE-CD1 3.69Å; M625-Y828 HydrophobicContact CE-CE1 3.99Å; M625-Y828 HydrophobicContact CE-CG 4.04Å; E632-Y828 PolarHBondContact O-OH 3.2Å; V813-Y828 HydrophobicContact CG1-CD1 4.16Å; I814-Y828 WeakPolarHBondContact O-CA 3.47Å; I814-Y828 PolarHBondContact O-N 3.45Å; Y828-V830 PolarHBondContact O-N 2.91Å
829	G	94.6	Very high	91.6	Very high	1 Å²	1	53 Å²	53	1%	0.01	28%	0.28	C	S	.	.			trans	-59.2	132.1	169.4	0	0	0	0	0	111.3	I814 Q826 L827	I814-G829 WeakPolarHBondContact CB-O 3.26Å; I814-G829 WeakPolarHBondContact CD1-O 3.17Å; I814-G829 VanDerWaalsContact CG1-O 3.28Å; I814-G829 WeakPolarHBondContact CG1-O 3.26Å; I814-G829 PolarHBondContact N-O 3.12Å; Q826-G829 WeakPolarHBondContact O-CA 3.28Å; Q826-G829 PolarHBondContact O-N 2.98Å; L827-G829 PolarHBondContact O-N 3.25Å
830	V	97	Very high	88.8	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.5	-175.4	169.5	0	0	0	0	111.6	L621 V657 Q658 W662 L663 V664 V813 Y828 F832	L621-V830 HydrophobicContact CD1-CG1 3.7Å; L621-V830 HydrophobicContact CD1-CG2 4.06Å; L621-V830 HydrophobicContact CD2-CB 4.49Å; L621-V830 HydrophobicContact CD2-CG1 3.63Å; L621-V830 HydrophobicContact CD2-CG2 4.18Å; L621-V830 HydrophobicContact CG-CG1 4.33Å; V657-V830 HydrophobicContact CG1-CG2 4.46Å; Q658-V830 HydrophobicContact CB-CG2 4.03Å; W662-V830 HydrophobicContact CB-CB 3.81Å; W662-V830 HydrophobicContact CB-CG1 3.84Å; W662-V830 HydrophobicContact CD2-CB 4.19Å; W662-V830 HydrophobicContact CD2-CG1 3.59Å; W662-V830 HydrophobicContact CE3-CG1 4.11Å; W662-V830 HydrophobicContact CG-CB 3.58Å; W662-V830 HydrophobicContact CG-CG1 3.47Å; W662-V830 VanDerWaalsContact CG-CG1 3.47Å; W662-V830 HydrophobicContact CG-CG2 4.36Å; L663-V830 WeakPolarHBondContact CB-O 3.14Å; L663-V830 PolarHBondContact N-O 3.29Å; V664-V830 PolarHBondContact N-O 2.87Å; V813-V830 HydrophobicContact CG2-CG2 4.45Å; Y828-V830 PolarHBondContact O-N 2.91Å; V830-F832 HydrophobicContact CG1-CB 4.36Å
831	I	97.3	Very high	85.9	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.015	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.9	161	-65.5	-167.2	0	0	0	108.1	V664 I796 L800 I811 A812 I814 L823 K833	V664-I831 HydrophobicContact CB-CB 4.45Å; V664-I831 HydrophobicContact CB-CG1 4.41Å; V664-I831 HydrophobicContact CB-CG2 4.09Å; V664-I831 HydrophobicContact CG2-CD1 4.32Å; V664-I831 HydrophobicContact CG2-CG1 4.12Å; V664-I831 HydrophobicContact CG2-CG2 4.29Å; I796-I831 HydrophobicContact CD1-CB 4.28Å; I796-I831 HydrophobicContact CD1-CD1 3.81Å; I796-I831 HydrophobicContact CD1-CG1 4.12Å; I796-I831 HydrophobicContact CG1-CD1 4.15Å; L800-I831 HydrophobicContact CD1-CD1 3.96Å; L800-I831 HydrophobicContact CD1-CG2 4.27Å; I811-I831 WeakPolarHBondContact CA-O 3.41Å; A812-I831 PolarHBondContact N-O 3.44Å; A812-I831 PolarHBondContact O-N 3.44Å; I814-I831 HydrophobicContact CD1-CD1 4.26Å; I814-I831 HydrophobicContact CD1-CG1 4.13Å; I814-I831 HydrophobicContact CG1-CG1 4.5Å; L823-I831 HydrophobicContact CD1-CD1 4.29Å; I831-K833 HydrophobicContact CG2-CB 3.95Å
832	F	98.1	Very high	85.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	88.3	165.8	-172.5	-84.8	0	0	0	107.8	I617 W662 V664 N666 Y667 W670 L809 I811 V830 F834	I617-F832 HydrophobicContact CB-CE2 4.28Å; I617-F832 HydrophobicContact CD1-CE2 3.78Å; I617-F832 HydrophobicContact CD1-CZ 4.29Å; I617-F832 HydrophobicContact CG1-CE2 3.83Å; I617-F832 HydrophobicContact CG1-CZ 4.29Å; I617-F832 HydrophobicContact CG2-CD2 3.47Å; I617-F832 VanDerWaalsContact CG2-CD2 3.47Å; I617-F832 HydrophobicContact CG2-CE2 3.39Å; I617-F832 HydrophobicContact CG2-CZ 4.41Å; W662-F832 HydrophobicContact CD2-CB 4.43Å; W662-F832 HydrophobicContact CE3-CB 3.43Å; W662-F832 VanDerWaalsContact CE3-CB 3.43Å; W662-F832 AromaticContact CE3-CG 3.98Å; W662-F832 HydrophobicContact CE3-CG 3.98Å; W662-F832 HydrophobicContact CZ3-CB 3.65Å; W662-F832 HydrophobicContact CZ3-CD1 4.25Å; W662-F832 AromaticContact CZ3-CD2 3.94Å; W662-F832 HydrophobicContact CZ3-CD2 3.94Å; W662-F832 AromaticContact CZ3-CG 3.67Å; W662-F832 HydrophobicContact CZ3-CG 3.67Å; V664-F832 CarbonylContact O-C 3.56Å; V664-F832 PolarHBondContact O-N 2.94Å; N666-F832 HydrophobicContact CB-CD1 4.48Å; N666-F832 WeakPolarHBondContact CB-O 3.41Å; N666-F832 PolarHBondContact N-O 2.83Å; Y667-F832 HydrophobicContact CD2-CZ 4.41Å; W670-F832 HydrophobicContact CB-CE1 3.68Å; W670-F832 HydrophobicContact CB-CZ 3.95Å; W670-F832 AromaticContact CD1-CZ 3.63Å; W670-F832 HydrophobicContact CD2-CZ 4.26Å; W670-F832 AromaticContact CG-CE1 3.96Å; W670-F832 HydrophobicContact CG-CE1 3.96Å; W670-F832 AromaticContact CG-CZ 3.68Å; W670-F832 HydrophobicContact CG-CZ 3.68Å; L809-F832 HydrophobicContact CD1-CD1 4.22Å; L809-F832 HydrophobicContact CD1-CD2 4.13Å; L809-F832 HydrophobicContact CD1-CE1 3.75Å; L809-F832 HydrophobicContact CD1-CE2 3.65Å; L809-F832 HydrophobicContact CD1-CG 4.39Å; L809-F832 HydrophobicContact CD1-CZ 3.44Å; L809-F832 VanDerWaalsContact CD1-CZ 3.44Å; L809-F832 HydrophobicContact CD2-CE2 4.07Å; L809-F832 HydrophobicContact CD2-CZ 4.07Å; L809-F832 HydrophobicContact CG-CE2 4.44Å; L809-F832 HydrophobicContact CG-CZ 4.42Å; I811-F832 HydrophobicContact CD1-CD2 3.74Å; I811-F832 HydrophobicContact CD1-CE2 3.96Å; I811-F832 HydrophobicContact CG1-CD2 4.03Å; V830-F832 HydrophobicContact CG1-CB 4.36Å; F832-F834 HydrophobicContact CE1-CB 4.45Å
833	K	98.1	Very high	85	Confident	33 Å²	33	62.9 Å²	62.9	14%	0.143	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.3	-173.2	-169.7	-172.3	-171.5	-144.9	0	109.7	V664 N666 L800 K810 I831 E835	V664-K833 HydrophobicContact CG1-CB 3.84Å; V664-K833 HydrophobicContact CG1-CG 3.99Å; N666-K833 WeakPolarHBondContact OD1-CA 3.33Å; L800-K833 HydrophobicContact CD1-CD 4.44Å; L800-K833 PolarHBondContact O-NZ 2.9Å; K810-K833 HydrophobicContact CB-CB 4.25Å; K810-K833 HydrophobicContact CD-CD 4.38Å; K810-K833 PolarHBondContact N-O 3.28Å; K810-K833 PolarHBondContact O-N 2.92Å; I831-K833 HydrophobicContact CG2-CB 3.95Å; K833-E835 HydrophobicContact CD-CG 4.33Å; K833-E835 VanDerWaalsContact CE-CD 3.43Å; K833-E835 WeakPolarHBondContact CE-OE1 3.29Å; K833-E835 WeakPolarHBondContact CE-OE2 3.24Å; K833-E835 HydrophobicContact CG-CG 4.01Å; K833-E835 IonicContact NZ-OE1 3.25Å; K833-E835 PolarHBondContact NZ-OE1 2.81Å; K833-E835 IonicContact NZ-OE2 3.6Å; K833-E835 PolarHBondContact NZ-OE2 2.7Å
834	F	97.9	Very high	84.4	Confident	7 Å²	7	63.9 Å²	63.9	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120	177.6	177.5	-114.7	0	0	0	109.8	N666 N669 W670 R673 D807 T808 L809 F832 P836	N666-F834 HydrophobicContact CB-CB 3.87Å; N666-F834 PolarHBondContact OD1-N 2.99Å; N669-F834 HydrophobicContact CB-CD1 4.09Å; W670-F834 HydrophobicContact CB-CB 4.26Å; W670-F834 HydrophobicContact CB-CD1 4.23Å; W670-F834 HydrophobicContact CB-CG 4.14Å; W670-F834 AromaticContact CE3-CD2 3.71Å; W670-F834 HydrophobicContact CE3-CD2 3.71Å; W670-F834 AromaticContact CE3-CE2 3.8Å; W670-F834 HydrophobicContact CE3-CE2 3.8Å; W670-F834 HydrophobicContact CE3-CG 4.23Å; W670-F834 HydrophobicContact CE3-CZ 4.39Å; W670-F834 HydrophobicContact CZ3-CD2 4.3Å; W670-F834 HydrophobicContact CZ3-CE2 4.15Å; R673-F834 HydrophobicContact CB-CE1 3.98Å; R673-F834 HydrophobicContact CB-CZ 4.17Å; R673-F834 HydrophobicContact CG-CE1 4.15Å; R673-F834 HydrophobicContact CG-CZ 3.84Å; D807-F834 HydrophobicContact CB-CE2 4.12Å; D807-F834 HydrophobicContact CB-CZ 4.26Å; T808-F834 WeakPolarHBondContact O-CD2 3.48Å; L809-F834 HydrophobicContact CB-CD2 4.4Å; L809-F834 HydrophobicContact CD1-CB 4.25Å; F832-F834 HydrophobicContact CE1-CB 4.45Å; F834-P836 HydrophobicContact CE1-CB 3.84Å; F834-P836 HydrophobicContact CE1-CG 4.07Å; F834-P836 HydrophobicContact CZ-CB 3.89Å; F834-P836 WeakPolarHBondContact O-CD 3.23Å
835	E	96.7	Very high	83.8	Confident	27 Å²	27	63.6 Å²	63.6	13%	0.126	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	91.9	-173.7	-54.6	-168.4	87.7	0	0	108.3	K803 T808 K810 K833	K803-E835 IonicContact NZ-OE1 3.31Å; K803-E835 PolarHBondContact NZ-OE1 3.4Å; T808-E835 PolarHBondContact N-O 3.12Å; T808-E835 PolarHBondContact O-N 3.44Å; K810-E835 IonicContact NZ-OE2 2.81Å; K810-E835 PolarHBondContact NZ-OE2 2.77Å; K833-E835 HydrophobicContact CD-CG 4.33Å; K833-E835 VanDerWaalsContact CE-CD 3.43Å; K833-E835 WeakPolarHBondContact CE-OE1 3.29Å; K833-E835 WeakPolarHBondContact CE-OE2 3.24Å; K833-E835 HydrophobicContact CG-CG 4.01Å; K833-E835 IonicContact NZ-OE1 3.25Å; K833-E835 PolarHBondContact NZ-OE1 2.81Å; K833-E835 IonicContact NZ-OE2 3.6Å; K833-E835 PolarHBondContact NZ-OE2 2.7Å
836	P	93.7	Very high	83.2	Confident	71 Å²	71	66.2 Å²	66.2	46%	0.461	33%	0.334	S	S	.	.			trans	-73.3	158.2	177.5	30	-34.6	0	0	0	111.8	D807 F834 S838	D807-P836 WeakPolarHBondContact OD1-CA 2.91Å; F834-P836 HydrophobicContact CE1-CB 3.84Å; F834-P836 HydrophobicContact CE1-CG 4.07Å; F834-P836 HydrophobicContact CZ-CB 3.89Å; F834-P836 WeakPolarHBondContact O-CD 3.23Å; P836-S838 PolarHBondContact O-N 3.19Å
837	V	89.2	Confident	82.5	Confident	62 Å²	62	62.5 Å²	62.5	38%	0.376	32%	0.318	S	S	.	.			trans	-62.3	126.2	172	-174.2	0	0	0	0	109.9	T805 D807 Q839	T805-V837 WeakPolarHBondContact O-CG2 3.35Å; D807-V837 PolarHBondContact OD1-N 3.01Å; V837-Q839 PolarHBondContact O-N 3.38Å; V837-Q839 VanDerWaalsContact O-N 3.09Å
838	S	68.1	Low	81.7	Confident	80 Å²	80	63.4 Å²	63.4	56%	0.559	32%	0.323	S	S	*	.			trans	-57.9	113.4	167.7	-59.5	0	0	0	0	109.6	P836 S840	P836-S838 PolarHBondContact O-N 3.19Å; S838-S840 PolarHBondContact O-N 2.64Å
839	Q	51.4	Low	80.9	Confident	204 Å²	204	64.2 Å²	64.2	95%	0.953	33%	0.331	S	S	*	.	S	Bend	trans	-66.3	19.1	-179.5	-64.3	-174.9	-11.8	0	0	114.6	V837	V837-Q839 PolarHBondContact O-N 3.38Å; V837-Q839 VanDerWaalsContact O-N 3.09Å
840	S	34.7	Very low	79.7	Confident	100 Å²	100	69.4 Å²	69.4	70%	0.699	36%	0.358	S	S	*	.			trans	-119.7	71.7	-177.9	62.8	0	0	0	0	110.7	S838	S838-S840 PolarHBondContact O-N 2.64Å
841	R	34.6	Very low	78.2	Confident	245 Å²	245	75.6 Å²	75.6	93%	0.925	39%	0.39	S	S	*	.			trans	-141.6	0	164.3	-72	-167.2	177.9	-151.2	1	109.3	E484	E484-R841 VanDerWaalsContact CG-NH2 3.26Å; E484-R841 IonicContact OE1-CZ 3.28Å; E484-R841 IonicContact OE1-NH2 2.89Å; E484-R841 PolarHBondContact OE1-NH2 2.95Å

Retrieved 841 of 841 residues in 223.2 ms (Link to these results)

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