A0A087X9Z9_POEFO Loading...

Alpha-aminoadipic semialdehyde synthase, mitochondrial

Bifunctional enzyme that catalyzes the first two steps in lysine degradation.

AlphaFold DB , UniProt , Accession A0A087X9Z9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 857 aa.

						>A0A087X9Z9_POEFO|A0A087X9Z9
FYMKAGAVIQEDISEASLIVGVKRPPEEKVIPRKTYAFFSHTIKAQEANMGLLDDLLNKEVRLIDYEKMVDTNGYRIVAFGQWAGVAGMINILHGLGLRFLALGHHTPFMHIGMAHNYRNVSQAIQAVRDCGYEISMGLMPRSIGPLTFCFTGTGNVSKGAQDMINELPVEYVEPHELKDVSETGDMNKVYATVLSRRHHLVRKSDGNYDPMEYENHPELYTSHFRTSVAPYTTCLINGIYWDPHTPRLLRRLDAQRLIRPLKSLSALNEGSPALPHKLLAICDISADTGGSIEFMTECTTIDKPFCIYDADQHIDHDSVEGNGILMCSIDNLPAQLPIEATEYFGDRLFPYIWEMLLSDATKSLNEEEFSPQVRDAIITSNGALTPKFEYIEKMREKREKAQILKRTGMKRVLLLGSGYVSGPVVEYLSRDEGTQVTVASVLLKQAEELAARYPNTIPIMLDASSQEGHLDSLVTDHDLVISMLPYSFHPIVAKHCIRRKVNMVTASYLSPAMKELQSSVEEAGITIVNEMGLDPGIDHMLAMECIEQAKADGCTVESYSSFCGGLPAPECSDNPLRYKFSWSPYGVLLNTMNPAVFLRDGEVVSIPAGGTLMDSATAMDFFPGFSLEGFPNRDSTKYAEQYGIQTAHTLIRGTLRFKGFSKAMGGFVKLGLINTDPNPVLLHPTSTISWKELLCHQMGLSSSMSPEAFEEAVYKQVGEDQFRMDTLRWLGMLSDDAVPHADTILASLAKHLEAKLSFAKGERDLIIMRNDVGIRHPTGELEMRQISLVVYGELNGFSAMAKTVGYPAAIAARMVLDGEISRKGLLVPMTNDIYGLALARLKEEGLHIISKSILQE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	F	69.7	Low	87.1	Confident	221 Å²	221	135.1 Å²	135.1	97%	0.969	71%	0.708	S	S	*	*				0	-55	0	-96.2	-93.5	0	0	0	111.4	M3 K4 A5	F1-M3 PolarHBondContact O-N 3.33Å; F1-K4 WeakPolarHBondContact O-CA 3.27Å; F1-K4 WeakPolarHBondContact O-CB 3.44Å; F1-K4 PolarHBondContact O-N 3.05Å; F1-A5 PolarHBondContact O-N 3.38Å; F1-A5 VanDerWaalsContact O-N 3.15Å
2	Y	81.7	Confident	87.1	Confident	188 Å²	188	132 Å²	132	74%	0.737	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-51.3	-50.4	-178.5	-61	-68.1	0	0	0	115.8	K4 A5 G6 A7	Y2-K4 VanDerWaalsContact C-N 3.26Å; Y2-K4 PolarHBondContact O-N 2.88Å; Y2-A5 CarbonylContact O-C 3.48Å; Y2-A5 WeakPolarHBondContact O-CA 3.43Å; Y2-A5 WeakPolarHBondContact O-CB 3.46Å; Y2-A5 PolarHBondContact O-N 2.9Å; Y2-G6 PolarHBondContact O-N 3.42Å; Y2-A7 WeakPolarHBondContact O-CB 3.35Å; Y2-A7 PolarHBondContact O-N 3.01Å
3	M	91	Very high	87.3	Confident	136 Å²	136	128.3 Å²	128.3	67%	0.67	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-59.5	-35.3	176	-66.9	172.8	74.6	0	0	113.2	F1 A5 G6 I9	F1-M3 PolarHBondContact O-N 3.33Å; M3-A5 VanDerWaalsContact C-N 3.25Å; M3-A5 PolarHBondContact O-N 3.1Å; M3-G6 PolarHBondContact O-N 3.36Å; M3-G6 VanDerWaalsContact O-N 3.09Å; M3-I9 HydrophobicContact CG-CD1 3.49Å; M3-I9 VanDerWaalsContact CG-CD1 3.49Å; M3-I9 HydrophobicContact CG-CG1 3.75Å; M3-I9 HydrophobicContact SD-CD1 3.71Å; M3-I9 HydrophobicContact SD-CG1 4.36Å
4	K	91.8	Very high	87.4	Confident	197 Å²	197	122.7 Å²	122.7	86%	0.857	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-69	-27.2	177	-66.1	-173.9	177.2	-177.8	0	111.9	F1 Y2 G6	F1-K4 WeakPolarHBondContact O-CA 3.27Å; F1-K4 WeakPolarHBondContact O-CB 3.44Å; F1-K4 PolarHBondContact O-N 3.05Å; Y2-K4 VanDerWaalsContact C-N 3.26Å; Y2-K4 PolarHBondContact O-N 2.88Å; K4-G6 VanDerWaalsContact C-N 3.25Å
5	A	85.1	Confident	87.6	Confident	92 Å²	92	125.7 Å²	125.7	76%	0.76	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-83.3	1.6	173.2	0	0	0	0	0	113	F1 Y2 M3	F1-A5 PolarHBondContact O-N 3.38Å; F1-A5 VanDerWaalsContact O-N 3.15Å; Y2-A5 CarbonylContact O-C 3.48Å; Y2-A5 WeakPolarHBondContact O-CA 3.43Å; Y2-A5 WeakPolarHBondContact O-CB 3.46Å; Y2-A5 PolarHBondContact O-N 2.9Å; M3-A5 VanDerWaalsContact C-N 3.25Å; M3-A5 PolarHBondContact O-N 3.1Å
6	G	92.1	Very high	87.7	Confident	64 Å²	64	119.9 Å²	119.9	66%	0.66	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.7	6.2	178.7	0	0	0	0	0	115.2	Y2 M3 K4	Y2-G6 PolarHBondContact O-N 3.42Å; M3-G6 PolarHBondContact O-N 3.36Å; M3-G6 VanDerWaalsContact O-N 3.09Å; K4-G6 VanDerWaalsContact C-N 3.25Å
7	A	88.9	Confident	87.8	Confident	47 Å²	47	116.8 Å²	116.8	39%	0.388	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-71.9	137.6	176.5	0	0	0	0	0	111.7	Y2	Y2-A7 WeakPolarHBondContact O-CB 3.35Å; Y2-A7 PolarHBondContact O-N 3.01Å
8	V	90.6	Very high	88.2	Confident	115 Å²	115	111.3 Å²	111.3	70%	0.697	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-88.7	121.4	170.5	-174.7	0	0	0	0	108.1	Q10	V8-Q10 HydrophobicContact CG1-CG 3.92Å
9	I	91	Very high	88.6	Confident	118 Å²	118	106.8 Å²	106.8	61%	0.605	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-87.4	125.1	177.2	-58.3	-175.2	0	0	0	108.5	M3	M3-I9 HydrophobicContact CG-CD1 3.49Å; M3-I9 VanDerWaalsContact CG-CD1 3.49Å; M3-I9 HydrophobicContact CG-CG1 3.75Å; M3-I9 HydrophobicContact SD-CD1 3.71Å; M3-I9 HydrophobicContact SD-CG1 4.36Å
10	Q	88.7	Confident	88.8	Confident	115 Å²	115	105.2 Å²	105.2	54%	0.537	56%	0.564	S	S	.	*			trans	-139.4	149.6	176.2	-53.2	-169.7	28.7	0	0	109.3	V8	V8-Q10 HydrophobicContact CG1-CG 3.92Å
11	E	87.3	Confident	88.9	Confident	193 Å²	193	101.4 Å²	101.4	90%	0.902	55%	0.55	S	S	*	*	S	Bend	trans	-80	-33.5	173.5	-68.1	-67.1	158	0	0	111.4
12	D	87.4	Confident	89.6	Confident	98 Å²	98	94.1 Å²	94.1	52%	0.524	52%	0.524	S	S	.	.			trans	-92.5	126.6	174.2	-173.4	12.3	0	0	0	110.3	S14	D12-S14 VanDerWaalsContact CG-OG 3.23Å; D12-S14 WeakPolarHBondContact OD1-CB 3.27Å; D12-S14 PolarHBondContact OD1-N 3.05Å; D12-S14 PolarHBondContact OD1-OG 3.2Å; D12-S14 PolarHBondContact OD2-OG 2.86Å
13	I	89.9	Confident	89.7	Confident	84 Å²	84	91.7 Å²	91.7	43%	0.431	52%	0.517	S	S	.	.			trans	-116.2	14.7	177.1	63.1	170.9	0	0	0	111.7	E15 A16 I19 I31	I13-E15 PolarHBondContact O-N 3.44Å; I13-A16 WeakPolarHBondContact O-CB 3.38Å; I13-A16 PolarHBondContact O-N 2.98Å; I13-I19 HydrophobicContact CD1-CD1 4.04Å; I13-I19 HydrophobicContact CD1-CG1 4.29Å; I13-I19 HydrophobicContact CD1-CG2 4.4Å; I13-I31 HydrophobicContact CG1-CD1 3.97Å
14	S	88.6	Confident	89.4	Confident	50 Å²	50	90.2 Å²	90.2	35%	0.35	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.7	-178.6	64.6	0	0	0	0	113.5	D12 A16 K34	D12-S14 VanDerWaalsContact CG-OG 3.23Å; D12-S14 WeakPolarHBondContact OD1-CB 3.27Å; D12-S14 PolarHBondContact OD1-N 3.05Å; D12-S14 PolarHBondContact OD1-OG 3.2Å; D12-S14 PolarHBondContact OD2-OG 2.86Å; S14-A16 VanDerWaalsContact C-N 3.28Å; S14-A16 PolarHBondContact O-N 2.86Å; S14-K34 WeakPolarHBondContact O-CE 3.48Å; S14-K34 PolarHBondContact O-NZ 2.94Å
15	E	89.8	Confident	89.2	Confident	167 Å²	167	82.3 Å²	82.3	78%	0.78	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.7	174.9	-63.7	-170.1	162.6	0	0	113.3	I13 S17	I13-E15 PolarHBondContact O-N 3.44Å; E15-S17 PolarHBondContact O-N 3.4Å
16	A	90	Very high	89.2	Confident	33 Å²	33	81 Å²	81	27%	0.273	46%	0.456	S	S	.	.			trans	-65.3	132	-177.3	0	0	0	0	0	111.6	I13 S14 I19 K34	I13-A16 WeakPolarHBondContact O-CB 3.38Å; I13-A16 PolarHBondContact O-N 2.98Å; S14-A16 VanDerWaalsContact C-N 3.28Å; S14-A16 PolarHBondContact O-N 2.86Å; A16-I19 HydrophobicContact CB-CG1 4.22Å; A16-K34 WeakPolarHBondContact O-CD 3.32Å; A16-K34 WeakPolarHBondContact O-CE 3.42Å; A16-K34 PolarHBondContact O-NZ 3.47Å
17	S	89	Confident	88.6	Confident	67 Å²	67	81.2 Å²	81.2	47%	0.469	44%	0.44	S	S	.	.	S	Bend	trans	-80	-33.4	172.4	-50	0	0	0	0	112.1	E15 T35	E15-S17 PolarHBondContact O-N 3.4Å; S17-T35 PolarHBondContact O-N 2.93Å
18	L	94.9	Very high	88.2	Confident	18 Å²	18	86 Å²	86	9%	0.094	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129	-179.5	176.8	67.2	0	0	0	109.8	V20 T35 A37 M356 L357	L18-V20 HydrophobicContact CD1-CG2 4.41Å; L18-V20 HydrophobicContact CD2-CG2 3.67Å; L18-V20 HydrophobicContact CG-CG2 3.67Å; L18-T35 WeakPolarHBondContact CA-O 3.33Å; L18-T35 HydrophobicContact CD1-CG2 3.75Å; L18-A37 HydrophobicContact CD1-CB 4.26Å; L18-M356 HydrophobicContact CD1-CB 4.04Å; L18-M356 HydrophobicContact CD2-CB 3.57Å; L18-M356 HydrophobicContact CG-CB 4.43Å; L18-L357 HydrophobicContact CB-CD2 4.1Å; L18-L357 HydrophobicContact CD2-CD2 4.14Å; L18-L357 HydrophobicContact CD2-CG 4.09Å
19	I	95.2	Very high	88	Confident	27 Å²	27	87.3 Å²	87.3	14%	0.138	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.6	174.6	-62.1	167.7	0	0	0	108.5	I13 A16 I31 T35 Y36 A37	I13-I19 HydrophobicContact CD1-CD1 4.04Å; I13-I19 HydrophobicContact CD1-CG1 4.29Å; I13-I19 HydrophobicContact CD1-CG2 4.4Å; A16-I19 HydrophobicContact CB-CG1 4.22Å; I19-I31 HydrophobicContact CD1-CD1 4.25Å; I19-T35 PolarHBondContact N-O 2.78Å; I19-Y36 HydrophobicContact CB-CD1 3.85Å; I19-Y36 HydrophobicContact CB-CE1 3.82Å; I19-Y36 HydrophobicContact CB-CG 4.28Å; I19-Y36 HydrophobicContact CD1-CE1 3.85Å; I19-Y36 HydrophobicContact CD1-CE2 3.98Å; I19-Y36 VanDerWaalsContact CD1-CZ 3.47Å; I19-Y36 VanDerWaalsContact CD1-OH 3.32Å; I19-Y36 WeakPolarHBondContact CD1-OH 3.47Å; I19-Y36 HydrophobicContact CG1-CE1 4.44Å; I19-Y36 HydrophobicContact CG2-CD1 3.82Å; I19-Y36 HydrophobicContact CG2-CE1 3.61Å; I19-Y36 CarbonylContact O-C 3.58Å; I19-Y36 WeakPolarHBondContact O-CA 3.42Å; I19-A37 PolarHBondContact O-N 2.76Å
20	V	93.4	Very high	88	Confident	73 Å²	73	82 Å²	82	44%	0.442	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.5	-172.3	-173.1	0	0	0	0	109.1	L18 Y66 L349 I353	L18-V20 HydrophobicContact CD1-CG2 4.41Å; L18-V20 HydrophobicContact CD2-CG2 3.67Å; L18-V20 HydrophobicContact CG-CG2 3.67Å; V20-Y66 WeakPolarHBondContact CG1-OH 3.08Å; V20-L349 HydrophobicContact CG1-CD2 4.42Å; V20-I353 HydrophobicContact CG2-CD1 4.42Å
21	G	89.9	Confident	88.2	Confident	26 Å²	26	78.6 Å²	78.6	27%	0.268	41%	0.409	S	S	.	.			trans	-146.3	157.2	174.4	0	0	0	0	0	111.7	A37 F38 Y66	G21-A37 PolarHBondContact N-O 3.34Å; G21-F38 VanDerWaalsContact O-CA 3.28Å; G21-F38 WeakPolarHBondContact O-CA 3.29Å; G21-F38 WeakPolarHBondContact O-CB 3.44Å; G21-Y66 WeakPolarHBondContact O-CE2 3.36Å
22	V	85.5	Confident	88.5	Confident	69 Å²	69	73 Å²	73	42%	0.418	39%	0.389	S	S	.	.	S	Bend	trans	-79.2	-40	170.3	177.1	0	0	0	0	110.3	F39 F80	V22-F39 WeakPolarHBondContact O-CD2 3.29Å; V22-F80 HydrophobicContact CG1-CE2 3.84Å; V22-F80 HydrophobicContact CG1-CZ 4.17Å; V22-F80 HydrophobicContact CG2-CZ 4.48Å
23	K	83.6	Confident	88.8	Confident	137 Å²	137	74.6 Å²	74.6	60%	0.596	39%	0.388	S	S	*	.	S	Bend	trans	-112.6	161.8	178	-68.2	-70.3	-175	172.6	0	110.1
24	R	85.4	Confident	89.1	Confident	105 Å²	105	72.5 Å²	72.5	40%	0.396	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-59.3	145	178	72.4	-172.3	-164.6	169.2	12.4	112.5	F38 A48 N49 L52	R24-F38 HydrophobicContact CB-CD2 3.88Å; R24-F38 HydrophobicContact CB-CE2 3.56Å; R24-F38 HydrophobicContact CB-CZ 4.37Å; R24-A48 PolarHBondContact NH1-O 3.12Å; R24-N49 PolarHBondContact NH1-OD1 3.36Å; R24-L52 HydrophobicContact CB-CD2 3.63Å; R24-L52 HydrophobicContact CG-CD2 4.21Å
25	P	87.6	Confident	89.4	Confident	30 Å²	30	70.1 Å²	70.1	20%	0.195	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-73.9	161.5	171.7	32.9	-35.1	0	0	0	111.1	V30 Y36 F38	P25-V30 HydrophobicContact CG-CG2 4.08Å; P25-Y36 HydrophobicContact CG-CD1 4.32Å; P25-Y36 HydrophobicContact CG-CE1 4.13Å; P25-F38 HydrophobicContact CG-CE1 4.31Å; P25-F38 HydrophobicContact CG-CZ 4.44Å
26	P	83.5	Confident	89.8	Confident	64 Å²	64	62.4 Å²	62.4	42%	0.416	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-60.9	138.7	163.5	-18.2	31.6	0	0	0	110.9	E28 K29	P26-E28 VanDerWaalsContact C-N 3.31Å; P26-E28 WeakPolarHBondContact CB-OE1 3.47Å; P26-E28 PolarHBondContact O-N 3.29Å; P26-K29 HydrophobicContact CB-CD 4.48Å; P26-K29 HydrophobicContact CB-CG 4.27Å; P26-K29 HydrophobicContact CG-CD 4.19Å; P26-K29 PolarHBondContact O-N 2.99Å
27	E	80.6	Confident	90.1	Very high	69 Å²	69	60.9 Å²	60.9	32%	0.322	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-58.9	-42.7	-173.3	-64.8	174.2	179.7	0	0	111.4	K29 V30 L52 K59	E27-K29 PolarHBondContact O-N 3.49Å; E27-K29 VanDerWaalsContact O-N 3.09Å; E27-V30 WeakPolarHBondContact O-CB 3.28Å; E27-V30 WeakPolarHBondContact O-CG2 3.43Å; E27-V30 PolarHBondContact O-N 2.95Å; E27-V30 VanDerWaalsContact O-N 3.09Å; E27-L52 HydrophobicContact CG-CB 4.09Å; E27-L52 HydrophobicContact CG-CD1 4.14Å; E27-L52 PolarHBondContact OE1-N 3.45Å; E27-K59 PolarHBondContact O-NZ 3.4Å
28	E	80.3	Confident	90.3	Very high	148 Å²	148	57.8 Å²	57.8	69%	0.692	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-64.3	-17	178.8	68.9	-78.7	-178.9	0	0	114.1	P26	P26-E28 VanDerWaalsContact C-N 3.31Å; P26-E28 WeakPolarHBondContact CB-OE1 3.47Å; P26-E28 PolarHBondContact O-N 3.29Å
29	K	85.5	Confident	90.1	Very high	143 Å²	143	58.1 Å²	58.1	62%	0.622	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-99.6	-0.4	179.2	-61.4	-167.4	179.8	-173.9	0	113.5	P26 E27 I31	P26-K29 HydrophobicContact CB-CD 4.48Å; P26-K29 HydrophobicContact CB-CG 4.27Å; P26-K29 HydrophobicContact CG-CD 4.19Å; P26-K29 PolarHBondContact O-N 2.99Å; E27-K29 PolarHBondContact O-N 3.49Å; E27-K29 VanDerWaalsContact O-N 3.09Å; K29-I31 PolarHBondContact O-N 3.22Å
30	V	91.2	Very high	89.8	Confident	7 Å²	7	56.8 Å²	56.8	4%	0.042	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-67.9	118.8	176.7	178.3	0	0	0	0	109.5	P25 E27 Y36 L52 L56 K59 V61	P25-V30 HydrophobicContact CG-CG2 4.08Å; E27-V30 WeakPolarHBondContact O-CB 3.28Å; E27-V30 WeakPolarHBondContact O-CG2 3.43Å; E27-V30 PolarHBondContact O-N 2.95Å; E27-V30 VanDerWaalsContact O-N 3.09Å; V30-Y36 HydrophobicContact CG1-CE2 4.36Å; V30-L52 HydrophobicContact CG2-CD1 3.96Å; V30-L56 HydrophobicContact CG1-CD2 3.85Å; V30-L56 HydrophobicContact CG2-CD2 4.44Å; V30-K59 HydrophobicContact CB-CD 3.85Å; V30-K59 HydrophobicContact CG1-CD 3.66Å; V30-K59 WeakPolarHBondContact O-CD 3.25Å; V30-K59 WeakPolarHBondContact O-CE 3.37Å; V30-K59 PolarHBondContact O-NZ 2.98Å; V30-V61 HydrophobicContact CG1-CG2 3.75Å
31	I	93.3	Very high	89.4	Confident	43 Å²	43	56.7 Å²	56.7	22%	0.221	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-84.5	128.2	176.5	-54	177.3	0	0	0	109.9	I13 I19 K29 K34 Y36	I13-I31 HydrophobicContact CG1-CD1 3.97Å; I19-I31 HydrophobicContact CD1-CD1 4.25Å; K29-I31 PolarHBondContact O-N 3.22Å; I31-K34 HydrophobicContact CB-CG 4.07Å; I31-K34 HydrophobicContact CG2-CG 3.81Å; I31-Y36 PolarHBondContact N-OH 3.42Å
32	P	93.4	Very high	89.2	Confident	74 Å²	74	55.4 Å²	55.4	48%	0.481	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	149.9	179.3	-20.6	31.2	0	0	0	115.1	K34 K59	P32-K34 VanDerWaalsContact C-N 3.29Å; P32-K34 PolarHBondContact O-N 2.81Å; P32-K59 CarbonylContact C-O 3.48Å; P32-K59 VanDerWaalsContact CA-O 3.22Å; P32-K59 WeakPolarHBondContact CA-O 3.41Å; P32-K59 HydrophobicContact CB-CB 4.08Å; P32-K59 WeakPolarHBondContact CB-O 3.41Å; P32-K59 HydrophobicContact CG-CB 4.23Å; P32-K59 HydrophobicContact CG-CG 4.14Å
33	R	93.9	Very high	89.3	Confident	132 Å²	132	52.7 Å²	52.7	50%	0.498	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	40.7	173.9	-61.5	177.1	178.2	153.1	7.8	113.5	K59 E60 T362	R33-K59 PolarHBondContact N-O 3.35Å; R33-E60 HydrophobicContact CG-CB 3.92Å; R33-E60 IonicContact CZ-OE1 3.76Å; R33-E60 IonicContact CZ-OE2 3.3Å; R33-E60 IonicContact NE-OE1 2.75Å; R33-E60 PolarHBondContact NE-OE1 2.93Å; R33-E60 IonicContact NE-OE2 3.15Å; R33-E60 PolarHBondContact NE-OE2 2.79Å; R33-E60 IonicContact NH2-OE1 3.66Å; R33-E60 PolarHBondContact NH2-OE1 3.17Å; R33-E60 IonicContact NH2-OE2 2.73Å; R33-T362 HydrophobicContact CB-CG2 4.08Å
34	K	95.6	Very high	89.2	Confident	41 Å²	41	49.4 Å²	49.4	18%	0.178	23%	0.232	C	C	.	.			trans	-117.5	162	175	-64.9	-58.5	-169.6	165	0	111.5	S14 A16 I31 P32 Y36 V61 R62 A361	S14-K34 WeakPolarHBondContact O-CE 3.48Å; S14-K34 PolarHBondContact O-NZ 2.94Å; A16-K34 WeakPolarHBondContact O-CD 3.32Å; A16-K34 WeakPolarHBondContact O-CE 3.42Å; A16-K34 PolarHBondContact O-NZ 3.47Å; I31-K34 HydrophobicContact CB-CG 4.07Å; I31-K34 HydrophobicContact CG2-CG 3.81Å; P32-K34 VanDerWaalsContact C-N 3.29Å; P32-K34 PolarHBondContact O-N 2.81Å; K34-Y36 HydrophobicContact CB-CD2 4.26Å; K34-Y36 HydrophobicContact CB-CE2 3.81Å; K34-V61 WeakPolarHBondContact O-CG1 3.49Å; K34-R62 PolarHBondContact O-N 3.01Å; K34-A361 WeakPolarHBondContact O-CB 3.19Å
35	T	96.8	Very high	89	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.3	171	-51.5	0	0	0	0	109.5	S17 L18 I19 R62 I64 S359	S17-T35 PolarHBondContact O-N 2.93Å; L18-T35 WeakPolarHBondContact CA-O 3.33Å; L18-T35 HydrophobicContact CD1-CG2 3.75Å; I19-T35 PolarHBondContact N-O 2.78Å; T35-R62 CarbonylContact C-O 3.55Å; T35-R62 WeakPolarHBondContact CA-O 3.34Å; T35-R62 HydrophobicContact CG2-CB 4.43Å; T35-R62 HydrophobicContact CG2-CG 4.5Å; T35-I64 HydrophobicContact CG2-CD1 3.83Å; T35-I64 HydrophobicContact CG2-CG1 4.44Å; T35-S359 WeakPolarHBondContact OG1-CB 3.29Å; T35-S359 PolarHBondContact OG1-O 2.74Å; T35-S359 PolarHBondContact OG1-OG 2.69Å
36	Y	97.3	Very high	88.4	Confident	5 Å²	5	48 Å²	48	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.3	175.3	-77.6	-106.6	0	0	0	110.8	I19 P25 V30 I31 K34 F38 V61 R62 I64	I19-Y36 HydrophobicContact CB-CD1 3.85Å; I19-Y36 HydrophobicContact CB-CE1 3.82Å; I19-Y36 HydrophobicContact CB-CG 4.28Å; I19-Y36 HydrophobicContact CD1-CE1 3.85Å; I19-Y36 HydrophobicContact CD1-CE2 3.98Å; I19-Y36 VanDerWaalsContact CD1-CZ 3.47Å; I19-Y36 VanDerWaalsContact CD1-OH 3.32Å; I19-Y36 WeakPolarHBondContact CD1-OH 3.47Å; I19-Y36 HydrophobicContact CG1-CE1 4.44Å; I19-Y36 HydrophobicContact CG2-CD1 3.82Å; I19-Y36 HydrophobicContact CG2-CE1 3.61Å; I19-Y36 CarbonylContact O-C 3.58Å; I19-Y36 WeakPolarHBondContact O-CA 3.42Å; P25-Y36 HydrophobicContact CG-CD1 4.32Å; P25-Y36 HydrophobicContact CG-CE1 4.13Å; V30-Y36 HydrophobicContact CG1-CE2 4.36Å; I31-Y36 PolarHBondContact N-OH 3.42Å; K34-Y36 HydrophobicContact CB-CD2 4.26Å; K34-Y36 HydrophobicContact CB-CE2 3.81Å; Y36-F38 HydrophobicContact CD1-CD1 4.34Å; Y36-F38 AromaticContact CD1-CE1 3.99Å; Y36-F38 HydrophobicContact CD1-CE1 3.99Å; Y36-F38 HydrophobicContact CG-CE1 4.21Å; Y36-V61 HydrophobicContact CD2-CG1 3.41Å; Y36-V61 VanDerWaalsContact CD2-CG1 3.41Å; Y36-V61 HydrophobicContact CD2-CG2 4.32Å; Y36-V61 HydrophobicContact CE2-CG1 4.06Å; Y36-V61 HydrophobicContact CE2-CG2 4.12Å; Y36-V61 HydrophobicContact CG-CG1 4.17Å; Y36-R62 PolarHBondContact N-O 3.22Å; Y36-I64 PolarHBondContact O-N 3.02Å
37	A	96.1	Very high	87.7	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.4	173.5	0	0	0	0	0	110.9	L18 I19 G21 I64 Y66 M356	L18-A37 HydrophobicContact CD1-CB 4.26Å; I19-A37 PolarHBondContact O-N 2.76Å; G21-A37 PolarHBondContact N-O 3.34Å; A37-I64 WeakPolarHBondContact CA-O 3.49Å; A37-I64 HydrophobicContact CB-CB 4.17Å; A37-Y66 VanDerWaalsContact C-OH 3.32Å; A37-Y66 HydrophobicContact CB-CE1 3.69Å; A37-Y66 WeakPolarHBondContact CB-OH 3.44Å; A37-Y66 PolarHBondContact O-OH 2.84Å; A37-M356 HydrophobicContact CB-SD 4.19Å
38	F	93.9	Very high	87.3	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	169.5	179	59.9	-91.9	0	0	0	112.3	G21 R24 P25 Y36 S40 L52 L56 L63 I64 D65 Y66	G21-F38 VanDerWaalsContact O-CA 3.28Å; G21-F38 WeakPolarHBondContact O-CA 3.29Å; G21-F38 WeakPolarHBondContact O-CB 3.44Å; R24-F38 HydrophobicContact CB-CD2 3.88Å; R24-F38 HydrophobicContact CB-CE2 3.56Å; R24-F38 HydrophobicContact CB-CZ 4.37Å; P25-F38 HydrophobicContact CG-CE1 4.31Å; P25-F38 HydrophobicContact CG-CZ 4.44Å; Y36-F38 HydrophobicContact CD1-CD1 4.34Å; Y36-F38 AromaticContact CD1-CE1 3.99Å; Y36-F38 HydrophobicContact CD1-CE1 3.99Å; Y36-F38 HydrophobicContact CG-CE1 4.21Å; F38-S40 PolarHBondContact O-N 3.2Å; F38-L52 HydrophobicContact CE2-CD2 3.99Å; F38-L52 HydrophobicContact CZ-CD2 4.04Å; F38-L56 HydrophobicContact CZ-CD1 4.4Å; F38-L63 HydrophobicContact CD1-CD1 3.9Å; F38-L63 HydrophobicContact CE1-CD1 3.4Å; F38-L63 HydrophobicContact CE2-CD1 4.12Å; F38-L63 HydrophobicContact CG-CD1 4.45Å; F38-L63 HydrophobicContact CZ-CD1 3.51Å; F38-I64 PolarHBondContact N-O 3.06Å; F38-D65 WeakPolarHBondContact O-CA 3.47Å; F38-Y66 VanDerWaalsContact CA-CE2 3.46Å; F38-Y66 PolarHBondContact O-N 3.44Å
39	F	89.9	Confident	87.3	Confident	24 Å²	24	44.9 Å²	44.9	11%	0.105	22%	0.222	C	C	.	.			trans	-73.8	102.2	169	-70.2	-72.6	0	0	0	110.3	V22 Y66 E67 V78 F80 F345	V22-F39 WeakPolarHBondContact O-CD2 3.29Å; F39-Y66 AromaticContact CD2-CD2 3.82Å; F39-Y66 HydrophobicContact CD2-CD2 3.82Å; F39-Y66 VanDerWaalsContact CE1-CB 3.42Å; F39-Y66 AromaticContact CE2-CD2 3.76Å; F39-Y66 HydrophobicContact CE2-CD2 3.76Å; F39-Y66 HydrophobicContact CE2-CG 4.43Å; F39-Y66 HydrophobicContact CG-CD2 4.22Å; F39-Y66 HydrophobicContact CZ-CD2 4.13Å; F39-Y66 HydrophobicContact CZ-CG 4.36Å; F39-E67 HydrophobicContact CD1-CB 4.11Å; F39-E67 HydrophobicContact CE1-CB 4.43Å; F39-V78 HydrophobicContact CZ-CG1 4.48Å; F39-F80 HydrophobicContact CE2-CD2 4.16Å; F39-F80 AromaticContact CE2-CE2 3.85Å; F39-F80 HydrophobicContact CE2-CE2 3.85Å; F39-F345 AromaticContact CE2-CE2 3.92Å; F39-F345 HydrophobicContact CE2-CE2 3.92Å; F39-F345 HydrophobicContact CZ-CE2 4.35Å
40	S	88.6	Confident	87.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.			trans	-84.8	-27	-171.6	83.7	0	0	0	0	113.8	F38 T42 D65	F38-S40 PolarHBondContact O-N 3.2Å; S40-T42 PolarHBondContact O-N 3.42Å; S40-T42 VanDerWaalsContact O-N 3.14Å; S40-T42 WeakPolarHBondContact OG-CB 3.5Å; S40-T42 WeakPolarHBondContact OG-CG2 3.15Å; S40-T42 PolarHBondContact OG-N 2.72Å; S40-T42 PolarHBondContact OG-OG1 2.94Å; S40-D65 VanDerWaalsContact CB-OD2 3.28Å; S40-D65 WeakPolarHBondContact CB-OD2 3.13Å; S40-D65 PolarHBondContact N-OD1 2.85Å; S40-D65 PolarHBondContact N-OD2 2.76Å; S40-D65 PolarHBondContact OG-OD2 2.95Å
41	H	86.2	Confident	86.8	Confident	70 Å²	70	39.7 Å²	39.7	32%	0.324	21%	0.207	S	C	.	.			trans	56.5	20.5	-173.9	-56.5	-60.8	0	0	0	114.2	N49 E67	H41-N49 WeakPolarHBondContact CB-ND2 3Å; H41-N49 PolarHBondContact O-ND2 2.98Å; H41-E67 IonicContact ND1-OE2 3.94Å
42	T	85.3	Confident	86.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-81	-25.2	-178.7	57.3	0	0	0	0	113.1	S40 K44 A45 N49 L53	S40-T42 PolarHBondContact O-N 3.42Å; S40-T42 VanDerWaalsContact O-N 3.14Å; S40-T42 WeakPolarHBondContact OG-CB 3.5Å; S40-T42 WeakPolarHBondContact OG-CG2 3.15Å; S40-T42 PolarHBondContact OG-N 2.72Å; S40-T42 PolarHBondContact OG-OG1 2.94Å; T42-K44 PolarHBondContact O-N 3.41Å; T42-A45 PolarHBondContact O-N 2.81Å; T42-N49 HydrophobicContact CG2-CB 4.31Å; T42-L53 HydrophobicContact CG2-CB 4.04Å; T42-L53 HydrophobicContact CG2-CD1 4.33Å
43	I	86.9	Confident	86.3	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.062	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.3	-18.1	-173.4	64.2	167.8	0	0	0	114.7	E67 K68 I379 F389 Y391	I43-E67 HydrophobicContact CD1-CG 3.8Å; I43-K68 HydrophobicContact CD1-CD 4.24Å; I43-K68 HydrophobicContact CG2-CG 4.13Å; I43-I379 HydrophobicContact CG2-CD1 3.8Å; I43-F389 HydrophobicContact CG2-CD1 4.17Å; I43-F389 HydrophobicContact CG2-CE1 3.95Å; I43-Y391 WeakPolarHBondContact O-CE2 3.35Å; I43-Y391 PolarHBondContact O-OH 3.06Å
44	K	81.3	Confident	85.8	Confident	68 Å²	68	28.4 Å²	28.4	30%	0.296	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-92.6	1	177.6	-61.3	-176.1	-177.5	-178.3	0	113.1	T42 Q46 Y241	T42-K44 PolarHBondContact O-N 3.41Å; K44-Q46 HydrophobicContact CB-CG 3.92Å; K44-Q46 PolarHBondContact O-N 3.08Å; K44-Q46 VanDerWaalsContact O-N 3.15Å; K44-Y241 WeakPolarHBondContact CE-OH 3.32Å
45	A	82.1	Confident	85.3	Confident	10 Å²	10	28.4 Å²	28.4	8%	0.083	16%	0.155	C	C	.	.			trans	46.8	36.9	-173.5	0	0	0	0	0	114.7	T42 M50 I392 M395 R396	T42-A45 PolarHBondContact O-N 2.81Å; A45-M50 HydrophobicContact CB-SD 4.18Å; A45-I392 HydrophobicContact CB-CG2 4.03Å; A45-M395 HydrophobicContact CB-CB 3.79Å; A45-M395 HydrophobicContact CB-CE 3.45Å; A45-M395 VanDerWaalsContact CB-CE 3.45Å; A45-R396 HydrophobicContact CB-CG 4.32Å
46	Q	73.9	Confident	85.1	Confident	95 Å²	95	28.4 Å²	28.4	44%	0.444	16%	0.155	S	C	.	.			trans	-77.2	138.4	177.8	-68.8	176	-45.9	0	0	110.4	K44 A48 N49 M50	K44-Q46 HydrophobicContact CB-CG 3.92Å; K44-Q46 PolarHBondContact O-N 3.08Å; K44-Q46 VanDerWaalsContact O-N 3.15Å; Q46-A48 VanDerWaalsContact C-N 3.25Å; Q46-A48 PolarHBondContact O-N 3.49Å; Q46-A48 VanDerWaalsContact O-N 3.12Å; Q46-N49 PolarHBondContact O-N 2.9Å; Q46-M50 WeakPolarHBondContact O-CG 3.15Å
47	E	70.1	Confident	84.7	Confident	127 Å²	127	29.4 Å²	29.4	59%	0.593	16%	0.16	S	C	*	.	H	α-helix	trans	-47.3	-47.1	-174.2	-145	169.7	-175.6	0	0	113.3	N49 M50 R399	E47-N49 PolarHBondContact O-N 3.18Å; E47-M50 PolarHBondContact O-N 3.19Å; E47-R399 IonicContact OE1-NH2 2.75Å; E47-R399 IonicContact OE2-CZ 3.9Å; E47-R399 IonicContact OE2-NH1 3.4Å; E47-R399 IonicContact OE2-NH2 2.72Å; E47-R399 PolarHBondContact OE2-NH2 3.33Å
48	A	71.8	Confident	84.1	Confident	74 Å²	74	35 Å²	35	61%	0.612	19%	0.19	S	C	*	.	H	α-helix	trans	-60.9	-16.9	-174.2	0	0	0	0	0	114.1	R24 Q46	R24-A48 PolarHBondContact NH1-O 3.12Å; Q46-A48 VanDerWaalsContact C-N 3.25Å; Q46-A48 PolarHBondContact O-N 3.49Å; Q46-A48 VanDerWaalsContact O-N 3.12Å
49	N	80.5	Confident	83.9	Confident	14 Å²	14	36.9 Å²	36.9	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-110.7	-5.1	-178.8	-60.1	-45.4	0	0	0	113.3	R24 H41 T42 Q46 E47 L53	R24-N49 PolarHBondContact NH1-OD1 3.36Å; H41-N49 WeakPolarHBondContact CB-ND2 3Å; H41-N49 PolarHBondContact O-ND2 2.98Å; T42-N49 HydrophobicContact CG2-CB 4.31Å; Q46-N49 PolarHBondContact O-N 2.9Å; E47-N49 PolarHBondContact O-N 3.18Å; N49-L53 PolarHBondContact O-N 2.78Å
50	M	84.4	Confident	84.1	Confident	15 Å²	15	38.8 Å²	38.8	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-76.8	-34.1	-175.3	-62.9	-59.5	88	0	0	112.9	A45 Q46 E47 L52 L53 D54 I392 R396	A45-M50 HydrophobicContact CB-SD 4.18Å; Q46-M50 WeakPolarHBondContact O-CG 3.15Å; E47-M50 PolarHBondContact O-N 3.19Å; M50-L52 PolarHBondContact O-N 3.31Å; M50-L53 HydrophobicContact CE-CB 4.46Å; M50-L53 HydrophobicContact CE-CD2 4.06Å; M50-L53 WeakPolarHBondContact O-CB 3.44Å; M50-L53 PolarHBondContact O-N 3.3Å; M50-L53 VanDerWaalsContact O-N 3.08Å; M50-L53 HydrophobicContact SD-CD2 4.11Å; M50-D54 PolarHBondContact O-N 3.35Å; M50-I392 HydrophobicContact SD-CG2 4.29Å; M50-R396 HydrophobicContact SD-CG 4.04Å
51	G	81	Confident	84.4	Confident	26 Å²	26	38.8 Å²	38.8	27%	0.268	21%	0.208	S	C	.	.	H	α-helix	trans	-54.6	-52.5	174.5	0	0	0	0	0	112	L53 D54 D55	G51-L53 VanDerWaalsContact C-N 3.35Å; G51-L53 PolarHBondContact O-N 2.79Å; G51-D54 PolarHBondContact O-N 2.76Å; G51-D55 PolarHBondContact O-N 3.49Å
52	L	86.1	Confident	84.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.9	-43.8	172.8	178.4	64.6	0	0	0	113	R24 E27 V30 F38 M50 D54 D55 L56	R24-L52 HydrophobicContact CB-CD2 3.63Å; R24-L52 HydrophobicContact CG-CD2 4.21Å; E27-L52 HydrophobicContact CG-CB 4.09Å; E27-L52 HydrophobicContact CG-CD1 4.14Å; E27-L52 PolarHBondContact OE1-N 3.45Å; V30-L52 HydrophobicContact CG2-CD1 3.96Å; F38-L52 HydrophobicContact CE2-CD2 3.99Å; F38-L52 HydrophobicContact CZ-CD2 4.04Å; M50-L52 PolarHBondContact O-N 3.31Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-D54 PolarHBondContact O-N 3.33Å; L52-D55 PolarHBondContact O-N 2.83Å; L52-L56 HydrophobicContact CD1-CD1 4.27Å; L52-L56 HydrophobicContact CD1-CD2 4.43Å; L52-L56 HydrophobicContact CD1-CG 4.12Å; L52-L56 HydrophobicContact CG-CD1 3.96Å; L52-L56 HydrophobicContact CG-CG 4.27Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; L52-L56 PolarHBondContact O-N 2.78Å
53	L	89.7	Confident	85.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-45.2	179.5	-180	63.3	0	0	0	111.5	T42 N49 M50 G51 D55 L56 L57 I379 T380 L385 I392	T42-L53 HydrophobicContact CG2-CB 4.04Å; T42-L53 HydrophobicContact CG2-CD1 4.33Å; N49-L53 PolarHBondContact O-N 2.78Å; M50-L53 HydrophobicContact CE-CB 4.46Å; M50-L53 HydrophobicContact CE-CD2 4.06Å; M50-L53 WeakPolarHBondContact O-CB 3.44Å; M50-L53 PolarHBondContact O-N 3.3Å; M50-L53 VanDerWaalsContact O-N 3.08Å; M50-L53 HydrophobicContact SD-CD2 4.11Å; G51-L53 VanDerWaalsContact C-N 3.35Å; G51-L53 PolarHBondContact O-N 2.79Å; L53-D55 VanDerWaalsContact C-N 3.32Å; L53-D55 PolarHBondContact O-N 3Å; L53-L56 PolarHBondContact O-N 2.82Å; L53-L57 HydrophobicContact CG-CD1 4.27Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.42Å; L53-I379 HydrophobicContact CD1-CG2 4.27Å; L53-T380 HydrophobicContact CD1-CG2 3.53Å; L53-L385 HydrophobicContact CD1-CD2 4.15Å; L53-L385 HydrophobicContact CD2-CD2 4.39Å; L53-I392 HydrophobicContact CD2-CG2 3.82Å
54	D	84.4	Confident	86	Confident	12 Å²	12	34.9 Å²	34.9	6%	0.064	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-41.6	177.2	-67.2	-26.4	0	0	0	110.7	M50 G51 L52 L56 L57 N58 R396	M50-D54 PolarHBondContact O-N 3.35Å; G51-D54 PolarHBondContact O-N 2.76Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-D54 PolarHBondContact O-N 3.33Å; D54-L56 PolarHBondContact O-N 2.54Å; D54-L57 PolarHBondContact O-N 2.85Å; D54-N58 WeakPolarHBondContact O-CB 3.46Å; D54-N58 VanDerWaalsContact O-CG 3.25Å; D54-N58 PolarHBondContact O-N 2.93Å; D54-N58 PolarHBondContact O-ND2 2.82Å; D54-R396 VanDerWaalsContact CG-NH2 3.3Å; D54-R396 IonicContact OD1-CZ 3.81Å; D54-R396 VanDerWaalsContact OD1-CZ 3.3Å; D54-R396 IonicContact OD1-NH1 3.62Å; D54-R396 PolarHBondContact OD1-NH1 3.39Å; D54-R396 IonicContact OD1-NH2 3.84Å; D54-R396 PolarHBondContact OD1-NH2 2.91Å; D54-R396 IonicContact OD2-CZ 2.87Å; D54-R396 IonicContact OD2-NH2 3.95Å; D54-R396 PolarHBondContact OD2-NH2 3.27Å
55	D	85.3	Confident	86.6	Confident	42 Å²	42	31.6 Å²	31.6	23%	0.225	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-41	175.5	-115.9	36.5	0	0	0	112.4	G51 L52 L53 K59	G51-D55 PolarHBondContact O-N 3.49Å; L52-D55 PolarHBondContact O-N 2.83Å; L53-D55 VanDerWaalsContact C-N 3.32Å; L53-D55 PolarHBondContact O-N 3Å; D55-K59 WeakPolarHBondContact O-CB 3.19Å; D55-K59 VanDerWaalsContact O-CG 3.22Å; D55-K59 WeakPolarHBondContact O-CG 3.37Å; D55-K59 PolarHBondContact O-N 3.37Å; D55-K59 IonicContact OD2-NZ 3.72Å; D55-K59 PolarHBondContact OD2-NZ 3.27Å
56	L	91.9	Very high	87.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-39.9	176.5	-66.3	168.2	0	0	0	111.7	V30 F38 L52 L53 D54 E60 V61 L63	V30-L56 HydrophobicContact CG1-CD2 3.85Å; V30-L56 HydrophobicContact CG2-CD2 4.44Å; F38-L56 HydrophobicContact CZ-CD1 4.4Å; L52-L56 HydrophobicContact CD1-CD1 4.27Å; L52-L56 HydrophobicContact CD1-CD2 4.43Å; L52-L56 HydrophobicContact CD1-CG 4.12Å; L52-L56 HydrophobicContact CG-CD1 3.96Å; L52-L56 HydrophobicContact CG-CG 4.27Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; L52-L56 PolarHBondContact O-N 2.78Å; L53-L56 PolarHBondContact O-N 2.82Å; D54-L56 PolarHBondContact O-N 2.54Å; L56-E60 PolarHBondContact O-N 3.34Å; L56-V61 HydrophobicContact CB-CB 4.17Å; L56-V61 HydrophobicContact CD2-CB 3.76Å; L56-V61 HydrophobicContact CD2-CG1 3.46Å; L56-V61 VanDerWaalsContact CD2-CG1 3.46Å; L56-V61 HydrophobicContact CD2-CG2 4.1Å; L56-V61 WeakPolarHBondContact O-CB 3.25Å; L56-V61 PolarHBondContact O-N 3.38Å; L56-L63 HydrophobicContact CD1-CB 4.32Å; L56-L63 HydrophobicContact CD1-CD1 4.49Å; L56-L63 HydrophobicContact CD1-CD2 3.62Å; L56-L63 HydrophobicContact CD1-CG 4.34Å
57	L	89.9	Confident	87.9	Confident	25 Å²	25	27.2 Å²	27.2	13%	0.131	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-52.4	174.8	-69	167.6	0	0	0	110.7	L53 D54 K59 E60 T380 G383 L385	L53-L57 HydrophobicContact CG-CD1 4.27Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.42Å; D54-L57 PolarHBondContact O-N 2.85Å; L57-K59 PolarHBondContact O-N 2.85Å; L57-E60 PolarHBondContact O-N 3.3Å; L57-T380 HydrophobicContact CD2-CG2 3.7Å; L57-T380 HydrophobicContact CG-CG2 4.11Å; L57-G383 VanDerWaalsContact O-CA 3.23Å; L57-G383 WeakPolarHBondContact O-CA 3.44Å; L57-L385 HydrophobicContact CD2-CG 4.46Å
58	N	83.3	Confident	88.9	Confident	117 Å²	117	24.4 Å²	24.4	63%	0.626	14%	0.139	S	C	*	.	H	α-helix	trans	-58.7	-36.5	-179.9	-73.6	-28.9	0	0	0	112.9	D54 E60	D54-N58 WeakPolarHBondContact O-CB 3.46Å; D54-N58 VanDerWaalsContact O-CG 3.25Å; D54-N58 PolarHBondContact O-N 2.93Å; D54-N58 PolarHBondContact O-ND2 2.82Å; N58-E60 PolarHBondContact O-N 3.37Å
59	K	89.3	Confident	89.9	Confident	44 Å²	44	20.9 Å²	20.9	19%	0.191	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	8.1	179.4	-67.8	173.9	175.5	160.5	0	112.8	E27 V30 P32 R33 D55 L57 V61	E27-K59 PolarHBondContact O-NZ 3.4Å; V30-K59 HydrophobicContact CB-CD 3.85Å; V30-K59 HydrophobicContact CG1-CD 3.66Å; V30-K59 WeakPolarHBondContact O-CD 3.25Å; V30-K59 WeakPolarHBondContact O-CE 3.37Å; V30-K59 PolarHBondContact O-NZ 2.98Å; P32-K59 CarbonylContact C-O 3.48Å; P32-K59 VanDerWaalsContact CA-O 3.22Å; P32-K59 WeakPolarHBondContact CA-O 3.41Å; P32-K59 HydrophobicContact CB-CB 4.08Å; P32-K59 WeakPolarHBondContact CB-O 3.41Å; P32-K59 HydrophobicContact CG-CB 4.23Å; P32-K59 HydrophobicContact CG-CG 4.14Å; R33-K59 PolarHBondContact N-O 3.35Å; D55-K59 WeakPolarHBondContact O-CB 3.19Å; D55-K59 VanDerWaalsContact O-CG 3.22Å; D55-K59 WeakPolarHBondContact O-CG 3.37Å; D55-K59 PolarHBondContact O-N 3.37Å; D55-K59 IonicContact OD2-NZ 3.72Å; D55-K59 PolarHBondContact OD2-NZ 3.27Å; L57-K59 PolarHBondContact O-N 2.85Å; K59-V61 HydrophobicContact CB-CG2 4.07Å; K59-V61 PolarHBondContact O-N 3.35Å
60	E	94.1	Very high	90.4	Very high	63 Å²	63	22.5 Å²	22.5	29%	0.294	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	35.6	179.7	-57.6	170	-139.9	0	0	112.9	R33 L56 L57 N58	R33-E60 HydrophobicContact CG-CB 3.92Å; R33-E60 IonicContact CZ-OE1 3.76Å; R33-E60 IonicContact CZ-OE2 3.3Å; R33-E60 IonicContact NE-OE1 2.75Å; R33-E60 PolarHBondContact NE-OE1 2.93Å; R33-E60 IonicContact NE-OE2 3.15Å; R33-E60 PolarHBondContact NE-OE2 2.79Å; R33-E60 IonicContact NH2-OE1 3.66Å; R33-E60 PolarHBondContact NH2-OE1 3.17Å; R33-E60 IonicContact NH2-OE2 2.73Å; L56-E60 PolarHBondContact O-N 3.34Å; L57-E60 PolarHBondContact O-N 3.3Å; N58-E60 PolarHBondContact O-N 3.37Å
61	V	95.7	Very high	90.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.			trans	-77.1	138.8	-178.7	167.1	0	0	0	0	110.8	V30 K34 Y36 L56 K59 T380	V30-V61 HydrophobicContact CG1-CG2 3.75Å; K34-V61 WeakPolarHBondContact O-CG1 3.49Å; Y36-V61 HydrophobicContact CD2-CG1 3.41Å; Y36-V61 VanDerWaalsContact CD2-CG1 3.41Å; Y36-V61 HydrophobicContact CD2-CG2 4.32Å; Y36-V61 HydrophobicContact CE2-CG1 4.06Å; Y36-V61 HydrophobicContact CE2-CG2 4.12Å; Y36-V61 HydrophobicContact CG-CG1 4.17Å; L56-V61 HydrophobicContact CB-CB 4.17Å; L56-V61 HydrophobicContact CD2-CB 3.76Å; L56-V61 HydrophobicContact CD2-CG1 3.46Å; L56-V61 VanDerWaalsContact CD2-CG1 3.46Å; L56-V61 HydrophobicContact CD2-CG2 4.1Å; L56-V61 WeakPolarHBondContact O-CB 3.25Å; L56-V61 PolarHBondContact O-N 3.38Å; K59-V61 HydrophobicContact CB-CG2 4.07Å; K59-V61 PolarHBondContact O-N 3.35Å; V61-T380 PolarHBondContact O-OG1 2.97Å
62	R	96.9	Very high	90.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	106.2	167	-172.4	175.8	-67.5	145.1	3.6	110	K34 T35 Y36 S359 D360 A361 K363 E368 I378 T380 S381	K34-R62 PolarHBondContact O-N 3.01Å; T35-R62 CarbonylContact C-O 3.55Å; T35-R62 WeakPolarHBondContact CA-O 3.34Å; T35-R62 HydrophobicContact CG2-CB 4.43Å; T35-R62 HydrophobicContact CG2-CG 4.5Å; Y36-R62 PolarHBondContact N-O 3.22Å; R62-S359 WeakPolarHBondContact CD-OG 3.2Å; R62-S359 PolarHBondContact NH1-OG 2.89Å; R62-D360 PolarHBondContact NH1-O 3.23Å; R62-D360 PolarHBondContact NH2-O 3.06Å; R62-D360 VanDerWaalsContact NH2-O 3.12Å; R62-A361 HydrophobicContact CB-CB 3.88Å; R62-K363 PolarHBondContact NH2-O 3.46Å; R62-E368 IonicContact NH1-OE1 2.72Å; R62-E368 PolarHBondContact NH1-OE1 3.34Å; R62-I378 HydrophobicContact CG-CG2 3.79Å; R62-T380 VanDerWaalsContact CA-O 3.27Å; R62-T380 WeakPolarHBondContact CA-O 3.38Å; R62-S381 PolarHBondContact NE-OG 2.91Å; R62-S381 VanDerWaalsContact NE-OG 3.09Å; R62-S381 PolarHBondContact NH2-OG 2.85Å
63	L	97.4	Very high	90.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.6	-179	173.4	63.8	0	0	0	111	F38 L56 I378 I379 T380	F38-L63 HydrophobicContact CD1-CD1 3.9Å; F38-L63 HydrophobicContact CE1-CD1 3.4Å; F38-L63 HydrophobicContact CE2-CD1 4.12Å; F38-L63 HydrophobicContact CG-CD1 4.45Å; F38-L63 HydrophobicContact CZ-CD1 3.51Å; L56-L63 HydrophobicContact CD1-CB 4.32Å; L56-L63 HydrophobicContact CD1-CD1 4.49Å; L56-L63 HydrophobicContact CD1-CD2 3.62Å; L56-L63 HydrophobicContact CD1-CG 4.34Å; L63-I378 CarbonylContact O-C 3.55Å; L63-I378 VanDerWaalsContact O-CA 3.22Å; L63-I378 WeakPolarHBondContact O-CA 3.29Å; L63-I379 HydrophobicContact CB-CB 4.46Å; L63-I379 HydrophobicContact CD2-CB 4Å; L63-I379 HydrophobicContact CD2-CG1 4.05Å; L63-I379 HydrophobicContact CG-CB 4.29Å; L63-I379 HydrophobicContact CG-CG1 4.27Å; L63-I379 PolarHBondContact O-N 3.14Å; L63-T380 VanDerWaalsContact CB-OG1 3.31Å; L63-T380 WeakPolarHBondContact CB-OG1 3.27Å; L63-T380 PolarHBondContact N-O 2.97Å; L63-T380 VanDerWaalsContact N-O 3.14Å; L63-T380 PolarHBondContact N-OG1 2.76Å
64	I	96.8	Very high	89.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119	168.1	-56.9	164.4	0	0	0	108.4	T35 Y36 A37 F38 M356 V374 A377 I378	T35-I64 HydrophobicContact CG2-CD1 3.83Å; T35-I64 HydrophobicContact CG2-CG1 4.44Å; Y36-I64 PolarHBondContact O-N 3.02Å; A37-I64 WeakPolarHBondContact CA-O 3.49Å; A37-I64 HydrophobicContact CB-CB 4.17Å; F38-I64 PolarHBondContact N-O 3.06Å; I64-M356 HydrophobicContact CD1-CB 4.28Å; I64-M356 HydrophobicContact CD1-CG 3.74Å; I64-M356 HydrophobicContact CD1-SD 4.1Å; I64-M356 HydrophobicContact CG2-CE 4.1Å; I64-V374 HydrophobicContact CD1-CG1 3.94Å; I64-V374 HydrophobicContact CG1-CG1 4.4Å; I64-V374 HydrophobicContact CG2-CG1 4.41Å; I64-A377 HydrophobicContact CG2-CB 4.04Å; I64-I378 HydrophobicContact CG1-CG1 3.79Å
65	D	95.1	Very high	89.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.7	177.4	-164.3	-30.3	0	0	0	111.7	F38 S40 E67 K68 M69 A377 I379	F38-D65 WeakPolarHBondContact O-CA 3.47Å; S40-D65 VanDerWaalsContact CB-OD2 3.28Å; S40-D65 WeakPolarHBondContact CB-OD2 3.13Å; S40-D65 PolarHBondContact N-OD1 2.85Å; S40-D65 PolarHBondContact N-OD2 2.76Å; S40-D65 PolarHBondContact OG-OD2 2.95Å; D65-E67 PolarHBondContact O-N 2.89Å; D65-E67 VanDerWaalsContact O-N 3.1Å; D65-E67 VanDerWaalsContact OD1-CB 3.24Å; D65-E67 WeakPolarHBondContact OD1-CB 3.37Å; D65-E67 PolarHBondContact OD1-N 3.3Å; D65-K68 PolarHBondContact O-N 3.03Å; D65-M69 PolarHBondContact O-N 3.41Å; D65-A377 PolarHBondContact N-O 2.82Å; D65-I379 HydrophobicContact CB-CD1 3.87Å; D65-I379 HydrophobicContact CB-CG1 3.68Å
66	Y	92.9	Very high	89.5	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-56	-28.6	176.7	-59.8	-34.1	0	0	0	113.3	V20 G21 A37 F38 F39 K68 M69 V78 F345 L349	V20-Y66 WeakPolarHBondContact CG1-OH 3.08Å; G21-Y66 WeakPolarHBondContact O-CE2 3.36Å; A37-Y66 VanDerWaalsContact C-OH 3.32Å; A37-Y66 HydrophobicContact CB-CE1 3.69Å; A37-Y66 WeakPolarHBondContact CB-OH 3.44Å; A37-Y66 PolarHBondContact O-OH 2.84Å; F38-Y66 VanDerWaalsContact CA-CE2 3.46Å; F38-Y66 PolarHBondContact O-N 3.44Å; F39-Y66 AromaticContact CD2-CD2 3.82Å; F39-Y66 HydrophobicContact CD2-CD2 3.82Å; F39-Y66 VanDerWaalsContact CE1-CB 3.42Å; F39-Y66 AromaticContact CE2-CD2 3.76Å; F39-Y66 HydrophobicContact CE2-CD2 3.76Å; F39-Y66 HydrophobicContact CE2-CG 4.43Å; F39-Y66 HydrophobicContact CG-CD2 4.22Å; F39-Y66 HydrophobicContact CZ-CD2 4.13Å; F39-Y66 HydrophobicContact CZ-CG 4.36Å; Y66-K68 PolarHBondContact O-N 2.95Å; Y66-M69 HydrophobicContact CD1-SD 3.82Å; Y66-M69 PolarHBondContact O-N 3.46Å; Y66-V78 HydrophobicContact CG-CG1 4.38Å; Y66-F345 HydrophobicContact CD2-CE2 4.33Å; Y66-F345 HydrophobicContact CD2-CZ 4.01Å; Y66-F345 AromaticContact CE2-CZ 3.75Å; Y66-F345 HydrophobicContact CE2-CZ 3.75Å; Y66-L349 HydrophobicContact CD1-CD1 4.18Å; Y66-L349 HydrophobicContact CE1-CD1 3.69Å; Y66-L349 HydrophobicContact CE1-CD2 4.01Å
67	E	88.5	Confident	89.3	Confident	13 Å²	13	49 Å²	49	6%	0.061	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.9	-23.2	176.9	-177.6	154.6	-156.3	0	0	112.7	F39 H41 I43 D65 R76	F39-E67 HydrophobicContact CD1-CB 4.11Å; F39-E67 HydrophobicContact CE1-CB 4.43Å; H41-E67 IonicContact ND1-OE2 3.94Å; I43-E67 HydrophobicContact CD1-CG 3.8Å; D65-E67 PolarHBondContact O-N 2.89Å; D65-E67 VanDerWaalsContact O-N 3.1Å; D65-E67 VanDerWaalsContact OD1-CB 3.24Å; D65-E67 WeakPolarHBondContact OD1-CB 3.37Å; D65-E67 PolarHBondContact OD1-N 3.3Å; E67-R76 IonicContact OE1-CZ 2.78Å; E67-R76 VanDerWaalsContact OE1-CZ 3.3Å; E67-R76 IonicContact OE1-NH1 2.74Å; E67-R76 PolarHBondContact OE1-NH1 3.1Å; E67-R76 VanDerWaalsContact OE1-NH1 3.15Å; E67-R76 IonicContact OE1-NH2 3.42Å; E67-R76 PolarHBondContact OE1-NH2 3.32Å
68	K	92.6	Very high	89	Confident	68 Å²	68	47.9 Å²	47.9	30%	0.296	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-105.8	0.8	-179.2	-65.1	-56.4	-164.1	-170	0	114.2	I43 D65 Y66 V70 A377 I379 F389	I43-K68 HydrophobicContact CD1-CD 4.24Å; I43-K68 HydrophobicContact CG2-CG 4.13Å; D65-K68 PolarHBondContact O-N 3.03Å; Y66-K68 PolarHBondContact O-N 2.95Å; K68-V70 PolarHBondContact O-N 3.43Å; K68-V70 VanDerWaalsContact O-N 3.14Å; K68-A377 HydrophobicContact CB-CB 4.05Å; K68-I379 HydrophobicContact CG-CD1 4.35Å; K68-F389 HydrophobicContact CB-CZ 4.26Å; K68-F389 HydrophobicContact CD-CE1 4.33Å; K68-F389 HydrophobicContact CG-CE1 3.89Å; K68-F389 HydrophobicContact CG-CZ 3.89Å
69	M	93.1	Very high	89	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.			trans	-74.2	101.7	167.6	-68.2	-174.7	69.2	0	0	109.9	D65 Y66 R76 I77 V78 L349 Y352 M356 V374 A377	D65-M69 PolarHBondContact O-N 3.41Å; Y66-M69 HydrophobicContact CD1-SD 3.82Å; Y66-M69 PolarHBondContact O-N 3.46Å; M69-R76 WeakPolarHBondContact O-CA 3.48Å; M69-I77 HydrophobicContact CB-CB 4.44Å; M69-I77 HydrophobicContact CB-CD1 4.49Å; M69-I77 PolarHBondContact O-N 3.17Å; M69-V78 HydrophobicContact CE-CG2 4.32Å; M69-V78 HydrophobicContact SD-CG2 4.17Å; M69-L349 HydrophobicContact CE-CD1 4.42Å; M69-L349 HydrophobicContact SD-CD1 4.25Å; M69-Y352 HydrophobicContact CE-CD1 4.17Å; M69-Y352 HydrophobicContact CE-CD2 3.78Å; M69-Y352 HydrophobicContact CE-CE2 4.35Å; M69-Y352 HydrophobicContact CE-CG 3.68Å; M69-M356 HydrophobicContact CE-CE 3.7Å; M69-M356 HydrophobicContact SD-CE 3.67Å; M69-V374 HydrophobicContact CE-CG2 4.03Å; M69-A377 HydrophobicContact CG-CB 3.67Å
70	V	90.2	Very high	88.5	Confident	47 Å²	47	43.3 Å²	43.3	29%	0.285	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-123.7	149.2	-177.3	-62.3	0	0	0	0	112.2	K68 Y75 R76 I77 Q373	K68-V70 PolarHBondContact O-N 3.43Å; K68-V70 VanDerWaalsContact O-N 3.14Å; V70-Y75 CarbonylContact C-O 3.57Å; V70-Y75 VanDerWaalsContact CA-O 3.23Å; V70-Y75 WeakPolarHBondContact CA-O 3.24Å; V70-R76 HydrophobicContact CG1-CG 4.47Å; V70-I77 VanDerWaalsContact C-CD1 3.47Å; V70-I77 WeakPolarHBondContact O-CD1 3.5Å; V70-Q373 WeakPolarHBondContact O-CG 3.39Å
71	D	86.3	Confident	88	Confident	54 Å²	54	41 Å²	41	29%	0.289	22%	0.218	S	C	.	.			trans	-74.5	-179.9	172.4	77.6	3.8	0	0	0	111.8	N73 G74 Y75 I77	D71-N73 PolarHBondContact O-N 3.44Å; D71-N73 VanDerWaalsContact O-N 3.12Å; D71-N73 WeakPolarHBondContact OD1-CA 3.29Å; D71-N73 WeakPolarHBondContact OD1-CB 3.39Å; D71-N73 PolarHBondContact OD1-N 3.41Å; D71-G74 PolarHBondContact O-N 3.13Å; D71-G74 PolarHBondContact OD1-N 2.79Å; D71-Y75 PolarHBondContact N-O 3.08Å; D71-Y75 PolarHBondContact OD1-N 3.01Å; D71-I77 HydrophobicContact CB-CG1 4.33Å
72	T	84.4	Confident	87.7	Confident	129 Å²	129	43.5 Å²	43.5	79%	0.791	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.1	-179.6	51.2	0	0	0	0	114.2
73	N	79.9	Confident	87.5	Confident	123 Å²	123	45.2 Å²	45.2	66%	0.658	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	1.8	176.5	-56.6	-56.9	0	0	0	112.1	D71 Y75	D71-N73 PolarHBondContact O-N 3.44Å; D71-N73 VanDerWaalsContact O-N 3.12Å; D71-N73 WeakPolarHBondContact OD1-CA 3.29Å; D71-N73 WeakPolarHBondContact OD1-CB 3.39Å; D71-N73 PolarHBondContact OD1-N 3.41Å; N73-Y75 HydrophobicContact CB-CD2 3.65Å; N73-Y75 HydrophobicContact CB-CE2 3.7Å
74	G	77.4	Confident	87.2	Confident	50 Å²	50	45.8 Å²	45.8	52%	0.515	24%	0.241	S	C	.	.	S	Bend	trans	83.3	9.6	-178.4	0	0	0	0	0	114.7	D71	D71-G74 PolarHBondContact O-N 3.13Å; D71-G74 PolarHBondContact OD1-N 2.79Å
75	Y	79.6	Confident	87.1	Confident	163 Å²	163	45.8 Å²	45.8	64%	0.639	24%	0.241	S	C	*	.			trans	-79.2	135.7	175.4	-64.8	-71.1	0	0	0	111	V70 D71 N73 I77	V70-Y75 CarbonylContact C-O 3.57Å; V70-Y75 VanDerWaalsContact CA-O 3.23Å; V70-Y75 WeakPolarHBondContact CA-O 3.24Å; D71-Y75 PolarHBondContact N-O 3.08Å; D71-Y75 PolarHBondContact OD1-N 3.01Å; N73-Y75 HydrophobicContact CB-CD2 3.65Å; N73-Y75 HydrophobicContact CB-CE2 3.7Å; Y75-I77 PolarHBondContact O-N 3.36Å
76	R	84.3	Confident	87.2	Confident	112 Å²	112	46 Å²	46	42%	0.423	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-60.5	126.4	176.7	-63.1	-174.8	-170.3	-165.4	-4.8	110.5	E67 M69 V70 A79	E67-R76 IonicContact OE1-CZ 2.78Å; E67-R76 VanDerWaalsContact OE1-CZ 3.3Å; E67-R76 IonicContact OE1-NH1 2.74Å; E67-R76 PolarHBondContact OE1-NH1 3.1Å; E67-R76 VanDerWaalsContact OE1-NH1 3.15Å; E67-R76 IonicContact OE1-NH2 3.42Å; E67-R76 PolarHBondContact OE1-NH2 3.32Å; M69-R76 WeakPolarHBondContact O-CA 3.48Å; V70-R76 HydrophobicContact CG1-CG 4.47Å; R76-A79 HydrophobicContact CB-CB 4.35Å
77	I	87.2	Confident	87.4	Confident	22 Å²	22	46 Å²	46	11%	0.113	24%	0.242	C	C	.	.	S	Bend	trans	-74.8	-47.5	178.6	-65	165.5	0	0	0	109.5	M69 V70 D71 Y75 R348 Y352 Q373	M69-I77 HydrophobicContact CB-CB 4.44Å; M69-I77 HydrophobicContact CB-CD1 4.49Å; M69-I77 PolarHBondContact O-N 3.17Å; V70-I77 VanDerWaalsContact C-CD1 3.47Å; V70-I77 WeakPolarHBondContact O-CD1 3.5Å; D71-I77 HydrophobicContact CB-CG1 4.33Å; Y75-I77 PolarHBondContact O-N 3.36Å; I77-R348 VanDerWaalsContact O-CD 3.31Å; I77-R348 WeakPolarHBondContact O-CD 3.23Å; I77-Y352 HydrophobicContact CD1-CE2 4.5Å; I77-Y352 HydrophobicContact CG2-CE2 3.71Å; I77-Q373 HydrophobicContact CD1-CB 3.73Å; I77-Q373 HydrophobicContact CD1-CG 3.41Å; I77-Q373 VanDerWaalsContact CD1-CG 3.41Å
78	V	84.3	Confident	87.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.239	C	C	.	.	S	Bend	trans	-109.6	108.8	-175.2	-174.8	0	0	0	0	108.6	F39 Y66 M69 F345 L349	F39-V78 HydrophobicContact CZ-CG1 4.48Å; Y66-V78 HydrophobicContact CG-CG1 4.38Å; M69-V78 HydrophobicContact CE-CG2 4.32Å; M69-V78 HydrophobicContact SD-CG2 4.17Å; V78-F345 HydrophobicContact CG1-CD2 3.44Å; V78-F345 VanDerWaalsContact CG1-CD2 3.44Å; V78-F345 HydrophobicContact CG1-CE1 4.48Å; V78-F345 HydrophobicContact CG1-CE2 3.06Å; V78-F345 HydrophobicContact CG1-CG 4.31Å; V78-F345 HydrophobicContact CG1-CZ 3.65Å; V78-L349 HydrophobicContact CG2-CB 4.21Å; V78-L349 HydrophobicContact CG2-CD1 4.14Å
79	A	82.3	Confident	88	Confident	15 Å²	15	42.2 Å²	42.2	12%	0.124	23%	0.225	C	C	.	.			trans	-154.1	153.7	-179	0	0	0	0	0	111.5	R76 Y344	R76-A79 HydrophobicContact CB-CB 4.35Å; A79-Y344 VanDerWaalsContact O-CE1 3.23Å; A79-Y344 WeakPolarHBondContact O-CE1 3.48Å
80	F	80.3	Confident	88.2	Confident	49 Å²	49	42.2 Å²	42.2	22%	0.215	23%	0.225	C	C	.	.			trans	-101.3	3.6	175.6	-68.5	-76.8	0	0	0	114.3	V22 F39 Q82 W83 A84 P334 A341 F345	V22-F80 HydrophobicContact CG1-CE2 3.84Å; V22-F80 HydrophobicContact CG1-CZ 4.17Å; V22-F80 HydrophobicContact CG2-CZ 4.48Å; F39-F80 HydrophobicContact CE2-CD2 4.16Å; F39-F80 AromaticContact CE2-CE2 3.85Å; F39-F80 HydrophobicContact CE2-CE2 3.85Å; F80-Q82 VanDerWaalsContact C-N 3.32Å; F80-Q82 PolarHBondContact O-N 3.04Å; F80-Q82 VanDerWaalsContact O-N 3.16Å; F80-W83 PolarHBondContact O-N 2.92Å; F80-A84 PolarHBondContact O-N 2.72Å; F80-A84 VanDerWaalsContact O-N 3.1Å; F80-P334 HydrophobicContact CB-CB 4.18Å; F80-P334 HydrophobicContact CB-CG 3.62Å; F80-P334 HydrophobicContact CD1-CB 4.1Å; F80-P334 HydrophobicContact CD1-CG 4.43Å; F80-P334 HydrophobicContact CG-CB 4.4Å; F80-P334 HydrophobicContact CG-CG 4.25Å; F80-A341 HydrophobicContact CD1-CB 4.37Å; F80-A341 HydrophobicContact CE1-CB 4.49Å; F80-F345 HydrophobicContact CD1-CB 4.42Å; F80-F345 HydrophobicContact CD1-CD2 4.4Å; F80-F345 HydrophobicContact CD2-CD2 4.23Å; F80-F345 HydrophobicContact CE1-CB 3.62Å; F80-F345 AromaticContact CE1-CD2 3.66Å; F80-F345 HydrophobicContact CE1-CD2 3.66Å; F80-F345 AromaticContact CE1-CG 3.83Å; F80-F345 HydrophobicContact CE1-CG 3.83Å; F80-F345 AromaticContact CE2-CD2 3.46Å; F80-F345 HydrophobicContact CE2-CD2 3.46Å; F80-F345 VanDerWaalsContact CE2-CD2 3.46Å; F80-F345 AromaticContact CE2-CE2 3.62Å; F80-F345 HydrophobicContact CE2-CE2 3.62Å; F80-F345 HydrophobicContact CE2-CG 4.33Å; F80-F345 HydrophobicContact CZ-CB 3.91Å; F80-F345 HydrophobicContact CZ-CD1 4.37Å; F80-F345 AromaticContact CZ-CD2 3.12Å; F80-F345 HydrophobicContact CZ-CD2 3.12Å; F80-F345 AromaticContact CZ-CE2 3.63Å; F80-F345 HydrophobicContact CZ-CE2 3.63Å; F80-F345 AromaticContact CZ-CG 3.56Å; F80-F345 HydrophobicContact CZ-CG 3.56Å; F80-F345 HydrophobicContact CZ-CZ 4.45Å
81	G	82.6	Confident	88.6	Confident	15 Å²	15	40 Å²	40	16%	0.155	21%	0.211	C	C	.	.	H	α-helix	trans	-54.6	-42.4	-165.9	0	0	0	0	0	114.2	W83 A84 G85 V157	G81-W83 PolarHBondContact O-N 3.14Å; G81-A84 PolarHBondContact O-N 2.75Å; G81-G85 PolarHBondContact O-N 3.36Å; G81-V157 WeakPolarHBondContact O-CA 3.2Å; G81-V157 WeakPolarHBondContact O-CG2 3.25Å
82	Q	89.4	Confident	89.1	Confident	52 Å²	52	37.4 Å²	37.4	24%	0.243	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-49.6	-178	-171.8	174.3	1.7	0	0	112.4	F80 A84 G85 V86 N156 D163	F80-Q82 VanDerWaalsContact C-N 3.32Å; F80-Q82 PolarHBondContact O-N 3.04Å; F80-Q82 VanDerWaalsContact O-N 3.16Å; Q82-A84 VanDerWaalsContact C-N 3.34Å; Q82-A84 PolarHBondContact O-N 3.03Å; Q82-G85 WeakPolarHBondContact O-CA 3.15Å; Q82-G85 PolarHBondContact O-N 3.16Å; Q82-V86 WeakPolarHBondContact O-CG2 3.28Å; Q82-V86 PolarHBondContact O-N 2.54Å; Q82-N156 WeakPolarHBondContact CA-O 3.36Å; Q82-N156 HydrophobicContact CB-CB 4.3Å; Q82-D163 PolarHBondContact NE2-OD2 2.98Å
83	W	92.4	Very high	89.8	Confident	37 Å²	37	31.2 Å²	31.2	14%	0.14	16%	0.16	C	C	.	.	H	α-helix	trans	-71.8	-28	-179	-64.9	111.7	0	0	0	113.2	F80 G81 G85 V86 A87 V121 P334 L337 E340 A341 Y344	F80-W83 PolarHBondContact O-N 2.92Å; G81-W83 PolarHBondContact O-N 3.14Å; W83-G85 VanDerWaalsContact C-N 3.31Å; W83-V86 HydrophobicContact CE3-CB 4.14Å; W83-V86 HydrophobicContact CE3-CG1 4.26Å; W83-V86 HydrophobicContact CE3-CG2 4.09Å; W83-V86 HydrophobicContact CZ3-CG1 4.31Å; W83-V86 HydrophobicContact CZ3-CG2 4.3Å; W83-V86 PolarHBondContact O-N 2.88Å; W83-A87 WeakPolarHBondContact O-CB 3.31Å; W83-A87 PolarHBondContact O-N 3.33Å; W83-V121 HydrophobicContact CH2-CG1 4.2Å; W83-V121 HydrophobicContact CZ3-CB 4.01Å; W83-V121 HydrophobicContact CZ3-CG1 4.16Å; W83-V121 HydrophobicContact CZ3-CG2 3.93Å; W83-P334 HydrophobicContact CB-CB 4.39Å; W83-L337 HydrophobicContact CE3-CD1 3.9Å; W83-L337 HydrophobicContact CZ3-CD1 4.37Å; W83-E340 HydrophobicContact CD2-CB 3.88Å; W83-E340 HydrophobicContact CE3-CB 3.87Å; W83-E340 HydrophobicContact CH2-CB 3.5Å; W83-E340 VanDerWaalsContact CH2-CB 3.5Å; W83-E340 HydrophobicContact CH2-CG 3.7Å; W83-E340 HydrophobicContact CZ2-CB 3.5Å; W83-E340 VanDerWaalsContact CZ2-CB 3.5Å; W83-E340 HydrophobicContact CZ2-CG 4.13Å; W83-E340 HydrophobicContact CZ3-CB 3.67Å; W83-E340 HydrophobicContact CZ3-CG 3.94Å; W83-E340 PolarHBondContact NE1-O 2.92Å; W83-A341 HydrophobicContact CB-CB 4.34Å; W83-A341 HydrophobicContact CG-CB 4.42Å; W83-Y344 AromaticContact CD1-CG 3.9Å; W83-Y344 VanDerWaalsContact NE1-CB 3.27Å; W83-Y344 AromaticContact NE1-CD2 3.64Å; W83-Y344 AromaticContact NE1-CG 3.51Å
84	A	92.3	Very high	90.6	Very high	12 Å²	12	27.1 Å²	27.1	10%	0.099	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-42.7	166.9	0	0	0	0	0	111	F80 G81 Q82 G88 I285 L333 P334	F80-A84 PolarHBondContact O-N 2.72Å; F80-A84 VanDerWaalsContact O-N 3.1Å; G81-A84 PolarHBondContact O-N 2.75Å; Q82-A84 VanDerWaalsContact C-N 3.34Å; Q82-A84 PolarHBondContact O-N 3.03Å; A84-G88 PolarHBondContact O-N 3.25Å; A84-I285 HydrophobicContact CB-CG2 3.76Å; A84-L333 HydrophobicContact CB-CB 4.22Å; A84-P334 HydrophobicContact CB-CG 3.88Å
85	G	94.9	Very high	91.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.1	-53	172.5	0	0	0	0	0	113.4	G81 Q82 W83 G88 M89 V157 A161	G81-G85 PolarHBondContact O-N 3.36Å; Q82-G85 WeakPolarHBondContact O-CA 3.15Å; Q82-G85 PolarHBondContact O-N 3.16Å; W83-G85 VanDerWaalsContact C-N 3.31Å; G85-G88 PolarHBondContact O-N 3.49Å; G85-M89 WeakPolarHBondContact O-CB 3.4Å; G85-M89 PolarHBondContact O-N 3.13Å; G85-V157 VanDerWaalsContact CA-O 3.27Å; G85-V157 WeakPolarHBondContact CA-O 3.33Å; G85-A161 WeakPolarHBondContact O-CA 3.21Å
86	V	96.6	Very high	92.3	Very high	5 Å²	5	17 Å²	17	3%	0.03	8%	0.082	C	C	.	.	H	α-helix	trans	-59.1	-54	179.7	174.4	0	0	0	0	110.9	Q82 W83 G88 M89 I90 V121 G160 M164 L337	Q82-V86 WeakPolarHBondContact O-CG2 3.28Å; Q82-V86 PolarHBondContact O-N 2.54Å; W83-V86 HydrophobicContact CE3-CB 4.14Å; W83-V86 HydrophobicContact CE3-CG1 4.26Å; W83-V86 HydrophobicContact CE3-CG2 4.09Å; W83-V86 HydrophobicContact CZ3-CG1 4.31Å; W83-V86 HydrophobicContact CZ3-CG2 4.3Å; W83-V86 PolarHBondContact O-N 2.88Å; V86-G88 PolarHBondContact O-N 2.9Å; V86-M89 PolarHBondContact O-N 2.92Å; V86-I90 HydrophobicContact CG1-CD1 3.86Å; V86-I90 WeakPolarHBondContact O-CD1 3.2Å; V86-I90 WeakPolarHBondContact O-CG1 3.44Å; V86-I90 PolarHBondContact O-N 3.15Å; V86-V121 HydrophobicContact CG1-CG2 3.83Å; V86-G160 VanDerWaalsContact CG2-O 3.29Å; V86-G160 WeakPolarHBondContact CG2-O 3.38Å; V86-M164 HydrophobicContact CB-CG 4.33Å; V86-M164 HydrophobicContact CG1-CG 3.85Å; V86-M164 HydrophobicContact CG1-SD 3.82Å; V86-L337 HydrophobicContact CB-CD1 4.14Å; V86-L337 HydrophobicContact CG1-CD1 3.56Å
87	A	96.5	Very high	92.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.4	-41.4	-179	0	0	0	0	0	112.2	W83 M89 I90 N91 A115 L333 L337	W83-A87 WeakPolarHBondContact O-CB 3.31Å; W83-A87 PolarHBondContact O-N 3.33Å; A87-M89 VanDerWaalsContact C-N 3.33Å; A87-M89 PolarHBondContact O-N 3.28Å; A87-I90 PolarHBondContact O-N 3.34Å; A87-N91 WeakPolarHBondContact O-CB 3.26Å; A87-N91 PolarHBondContact O-N 3.42Å; A87-N91 PolarHBondContact O-ND2 3.49Å; A87-A115 HydrophobicContact CB-CB 4.07Å; A87-L333 HydrophobicContact CB-CB 4.18Å; A87-L333 HydrophobicContact CB-CD2 4.24Å; A87-L333 WeakPolarHBondContact CB-O 3.33Å; A87-L337 HydrophobicContact CB-CD1 4.09Å; A87-L337 HydrophobicContact CB-CG 4.42Å
88	G	96.6	Very high	93.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-42.4	176.4	0	0	0	0	0	112	A84 G85 V86 N91 I92 C283	A84-G88 PolarHBondContact O-N 3.25Å; G85-G88 PolarHBondContact O-N 3.49Å; V86-G88 PolarHBondContact O-N 2.9Å; G88-N91 PolarHBondContact O-N 2.85Å; G88-I92 PolarHBondContact O-N 2.94Å; G88-C283 PolarHBondContact O-SG 2.91Å
89	M	97.7	Very high	93.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.2	-44.6	177.1	-168.3	63.6	-167.1	0	0	112.5	G85 V86 A87 N91 I92 L93 F149 F151 A161 M164 I165 I237	G85-M89 WeakPolarHBondContact O-CB 3.4Å; G85-M89 PolarHBondContact O-N 3.13Å; V86-M89 PolarHBondContact O-N 2.92Å; A87-M89 VanDerWaalsContact C-N 3.33Å; A87-M89 PolarHBondContact O-N 3.28Å; M89-N91 VanDerWaalsContact C-N 3.31Å; M89-N91 PolarHBondContact O-N 3.31Å; M89-I92 WeakPolarHBondContact O-CG2 3.37Å; M89-I92 PolarHBondContact O-N 2.85Å; M89-I92 HydrophobicContact SD-CG2 4Å; M89-L93 HydrophobicContact CE-CD1 3.98Å; M89-L93 HydrophobicContact CE-CD2 3.74Å; M89-L93 HydrophobicContact CE-CG 3.79Å; M89-L93 HydrophobicContact CG-CD1 4.28Å; M89-L93 WeakPolarHBondContact O-CB 3.24Å; M89-L93 VanDerWaalsContact O-CG 3.23Å; M89-L93 WeakPolarHBondContact O-CG 3.39Å; M89-L93 PolarHBondContact O-N 2.88Å; M89-F149 HydrophobicContact CE-CD1 4.05Å; M89-F149 HydrophobicContact CE-CE1 4.11Å; M89-F151 HydrophobicContact CE-CZ 4.46Å; M89-F151 HydrophobicContact SD-CE1 4.13Å; M89-F151 HydrophobicContact SD-CZ 4.36Å; M89-A161 HydrophobicContact CB-CB 4Å; M89-A161 HydrophobicContact CG-CB 4.49Å; M89-A161 WeakPolarHBondContact CG-O 3.49Å; M89-M164 HydrophobicContact CB-CB 3.9Å; M89-M164 HydrophobicContact CB-CG 4.29Å; M89-M164 HydrophobicContact CG-CB 3.65Å; M89-I165 HydrophobicContact CE-CB 3.91Å; M89-I165 HydrophobicContact CE-CD1 3.25Å; M89-I165 HydrophobicContact CE-CG1 4.08Å; M89-I237 HydrophobicContact SD-CD1 4.11Å; M89-I237 HydrophobicContact SD-CG1 3.82Å
90	I	97.8	Very high	94.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.9	-47.7	175.5	-66.6	158.6	0	0	0	110.2	V86 A87 L93 H94 I112 G113 A115 Y118 A124 M164 L337	V86-I90 HydrophobicContact CG1-CD1 3.86Å; V86-I90 WeakPolarHBondContact O-CD1 3.2Å; V86-I90 WeakPolarHBondContact O-CG1 3.44Å; V86-I90 PolarHBondContact O-N 3.15Å; A87-I90 PolarHBondContact O-N 3.34Å; I90-L93 PolarHBondContact O-N 3.46Å; I90-H94 PolarHBondContact O-N 3.34Å; I90-I112 HydrophobicContact CG2-CG2 4.42Å; I90-G113 WeakPolarHBondContact CG2-O 3.46Å; I90-A115 HydrophobicContact CB-CB 4.17Å; I90-A115 HydrophobicContact CD1-CB 4.34Å; I90-A115 HydrophobicContact CG2-CB 4.02Å; I90-Y118 HydrophobicContact CG2-CD2 4.42Å; I90-Y118 HydrophobicContact CG2-CE2 3.95Å; I90-A124 HydrophobicContact CD1-CB 3.58Å; I90-A124 HydrophobicContact CG1-CB 4.22Å; I90-M164 HydrophobicContact CD1-CE 4.18Å; I90-M164 HydrophobicContact CD1-SD 4.27Å; I90-M164 HydrophobicContact CG1-CE 3.74Å; I90-M164 HydrophobicContact CG1-CG 4.19Å; I90-M164 HydrophobicContact CG1-SD 4.24Å; I90-L337 HydrophobicContact CD1-CD1 4.48Å
91	N	97.4	Very high	94.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-44.1	-178.6	-70.8	-10.7	0	0	0	112	A87 G88 M89 L93 H94 G95 M114 A115 F306 L333 Q336	A87-N91 WeakPolarHBondContact O-CB 3.26Å; A87-N91 PolarHBondContact O-N 3.42Å; A87-N91 PolarHBondContact O-ND2 3.49Å; G88-N91 PolarHBondContact O-N 2.85Å; M89-N91 VanDerWaalsContact C-N 3.31Å; M89-N91 PolarHBondContact O-N 3.31Å; N91-L93 VanDerWaalsContact C-N 3.33Å; N91-L93 PolarHBondContact O-N 2.97Å; N91-H94 WeakPolarHBondContact O-CB 3.32Å; N91-H94 PolarHBondContact O-N 2.99Å; N91-G95 PolarHBondContact O-N 3.27Å; N91-M114 HydrophobicContact CB-CE 3.98Å; N91-M114 HydrophobicContact CB-SD 4.15Å; N91-M114 VanDerWaalsContact OD1-CE 3.27Å; N91-M114 WeakPolarHBondContact OD1-CE 3.48Å; N91-A115 WeakPolarHBondContact OD1-CB 3.39Å; N91-A115 PolarHBondContact OD1-N 2.84Å; N91-F306 WeakPolarHBondContact O-CE1 3.37Å; N91-F306 WeakPolarHBondContact O-CZ 3.35Å; N91-L333 WeakPolarHBondContact ND2-CD2 3.33Å; N91-Q336 PolarHBondContact ND2-NE2 2.83Å; N91-Q336 PolarHBondContact ND2-OE1 2.76Å
92	I	97.8	Very high	95.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-70.5	-30.6	-180	-158.1	64.6	0	0	0	112.5	G88 M89 G95 L96 C235 A281 C283 L326 C328	G88-I92 PolarHBondContact O-N 2.94Å; M89-I92 WeakPolarHBondContact O-CG2 3.37Å; M89-I92 PolarHBondContact O-N 2.85Å; M89-I92 HydrophobicContact SD-CG2 4Å; I92-G95 PolarHBondContact O-N 3.03Å; I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 WeakPolarHBondContact O-CG 3.35Å; I92-L96 PolarHBondContact O-N 3Å; I92-C235 VanDerWaalsContact CG1-SG 3.55Å; I92-A281 HydrophobicContact CD1-CB 3.97Å; I92-A281 HydrophobicContact CG1-CB 4.27Å; I92-C283 HydrophobicContact CB-CB 3.7Å; I92-C283 HydrophobicContact CD1-CB 3.94Å; I92-C283 HydrophobicContact CG1-CB 3.72Å; I92-C283 HydrophobicContact CG2-CB 4.07Å; I92-L326 HydrophobicContact CD1-CD2 4.35Å; I92-C328 HydrophobicContact CD1-CB 3.91Å
93	L	98.1	Very high	95.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-44.2	171.4	-71.4	175.1	0	0	0	111.5	M89 I90 N91 L96 G97 F109 I112 V128 F149 L168	M89-L93 HydrophobicContact CE-CD1 3.98Å; M89-L93 HydrophobicContact CE-CD2 3.74Å; M89-L93 HydrophobicContact CE-CG 3.79Å; M89-L93 HydrophobicContact CG-CD1 4.28Å; M89-L93 WeakPolarHBondContact O-CB 3.24Å; M89-L93 VanDerWaalsContact O-CG 3.23Å; M89-L93 WeakPolarHBondContact O-CG 3.39Å; M89-L93 PolarHBondContact O-N 2.88Å; I90-L93 PolarHBondContact O-N 3.46Å; N91-L93 VanDerWaalsContact C-N 3.33Å; N91-L93 PolarHBondContact O-N 2.97Å; L93-L96 PolarHBondContact O-N 2.83Å; L93-G97 PolarHBondContact O-N 3.02Å; L93-G97 VanDerWaalsContact O-N 3.13Å; L93-F109 HydrophobicContact CD2-CD1 3.93Å; L93-F109 HydrophobicContact CD2-CE1 3.65Å; L93-I112 HydrophobicContact CB-CD1 3.87Å; L93-I112 HydrophobicContact CB-CG2 4.41Å; L93-I112 HydrophobicContact CD1-CD1 4.28Å; L93-V128 HydrophobicContact CD1-CG1 4.09Å; L93-V128 HydrophobicContact CD1-CG2 4.05Å; L93-F149 HydrophobicContact CD2-CE1 4.12Å; L93-F149 HydrophobicContact CD2-CZ 4.23Å; L93-L168 HydrophobicContact CD2-CD1 4.2Å
94	H	97.1	Very high	95.2	Very high	36 Å²	36	15.1 Å²	15.1	17%	0.167	10%	0.099	C	C	.	.	H	α-helix	trans	-60.4	-46.2	171.2	173.3	71.5	0	0	0	111.8	I90 N91 L96 G97 L98 I112 M114 F306	I90-H94 PolarHBondContact O-N 3.34Å; N91-H94 WeakPolarHBondContact O-CB 3.32Å; N91-H94 PolarHBondContact O-N 2.99Å; H94-L96 VanDerWaalsContact C-N 3.31Å; H94-L96 PolarHBondContact O-N 2.8Å; H94-G97 WeakPolarHBondContact O-CA 3.5Å; H94-G97 PolarHBondContact O-N 2.89Å; H94-L98 PolarHBondContact O-N 3.49Å; H94-I112 HydrophobicContact CB-CG2 4.32Å; H94-I112 PolarHBondContact ND1-O 3.01Å; H94-M114 HydrophobicContact CB-SD 4.38Å; H94-M114 PolarHBondContact CD2-SD 3.37Å; H94-F306 AromaticContact CD2-CE2 3.76Å; H94-F306 AromaticContact CD2-CZ 3.98Å
95	G	96.1	Very high	95.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.6	-38.8	177.5	0	0	0	0	0	112.9	N91 I92 G97 L98 R99 L326	N91-G95 PolarHBondContact O-N 3.27Å; I92-G95 PolarHBondContact O-N 3.03Å; G95-G97 VanDerWaalsContact C-N 3.34Å; G95-L98 PolarHBondContact O-N 2.88Å; G95-R99 VanDerWaalsContact O-CB 3.3Å; G95-R99 WeakPolarHBondContact O-CB 3.23Å; G95-R99 PolarHBondContact O-N 2.82Å; G95-L326 VanDerWaalsContact C-CD2 3.47Å; G95-L326 WeakPolarHBondContact O-CD2 3.48Å
96	L	96.4	Very high	94.9	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-39.8	171.8	-77.9	173.3	0	0	0	111.8	I92 L93 H94 R99 F100 F149 C235 A281	I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 WeakPolarHBondContact O-CG 3.35Å; I92-L96 PolarHBondContact O-N 3Å; L93-L96 PolarHBondContact O-N 2.83Å; H94-L96 VanDerWaalsContact C-N 3.31Å; H94-L96 PolarHBondContact O-N 2.8Å; L96-R99 PolarHBondContact O-N 3.12Å; L96-F100 HydrophobicContact CB-CD2 4.34Å; L96-F100 HydrophobicContact CB-CE2 4.12Å; L96-F100 HydrophobicContact CD2-CE2 4.33Å; L96-F100 WeakPolarHBondContact O-CB 3.46Å; L96-F100 WeakPolarHBondContact O-CD2 3.33Å; L96-F100 WeakPolarHBondContact O-CG 3.21Å; L96-F100 PolarHBondContact O-N 2.98Å; L96-F149 HydrophobicContact CD1-CE1 3.69Å; L96-F149 HydrophobicContact CD1-CZ 3.91Å; L96-C235 HydrophobicContact CD1-CB 4.08Å; L96-A281 HydrophobicContact CD2-CB 3.77Å; L96-A281 HydrophobicContact CG-CB 4.4Å
97	G	95.9	Very high	94.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-53.8	-55	171.3	0	0	0	0	0	111.5	L93 H94 G95 R99 F100 L101	L93-G97 PolarHBondContact O-N 3.02Å; L93-G97 VanDerWaalsContact O-N 3.13Å; H94-G97 WeakPolarHBondContact O-CA 3.5Å; H94-G97 PolarHBondContact O-N 2.89Å; G95-G97 VanDerWaalsContact C-N 3.34Å; G97-R99 VanDerWaalsContact C-N 3.32Å; G97-R99 PolarHBondContact O-N 2.77Å; G97-F100 PolarHBondContact O-N 2.83Å; G97-L101 PolarHBondContact O-N 3.32Å
98	L	95.1	Very high	94.8	Very high	49 Å²	49	20.7 Å²	20.7	26%	0.257	12%	0.122	S	C	.	.	H	α-helix	trans	-59	-41.9	177.1	-62.7	-178.5	0	0	0	112.4	H94 G95 L101 A102 F306 V320	H94-L98 PolarHBondContact O-N 3.49Å; G95-L98 PolarHBondContact O-N 2.88Å; L98-L101 PolarHBondContact O-N 3.12Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.09Å; L98-F306 HydrophobicContact CD1-CD2 4.25Å; L98-F306 HydrophobicContact CD1-CE2 4.13Å; L98-V320 HydrophobicContact CB-CG1 4.44Å; L98-V320 HydrophobicContact CB-CG2 4.44Å; L98-V320 HydrophobicContact CD1-CG1 4.48Å
99	R	94.1	Very high	94.8	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-43.1	-179.3	-175.3	57.4	172.3	162.3	2.2	111.8	G95 L96 G97 L101 A102 L103 I308 V320 G322 G324 L326	G95-R99 VanDerWaalsContact O-CB 3.3Å; G95-R99 WeakPolarHBondContact O-CB 3.23Å; G95-R99 PolarHBondContact O-N 2.82Å; L96-R99 PolarHBondContact O-N 3.12Å; G97-R99 VanDerWaalsContact C-N 3.32Å; G97-R99 PolarHBondContact O-N 2.77Å; R99-L101 VanDerWaalsContact C-N 3.33Å; R99-A102 PolarHBondContact O-N 3.27Å; R99-L103 HydrophobicContact CG-CD1 4.23Å; R99-L103 WeakPolarHBondContact O-CB 3.3Å; R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.18Å; R99-L103 PolarHBondContact O-N 3.03Å; R99-I308 VanDerWaalsContact CZ-CD1 3.44Å; R99-V320 PolarHBondContact NH1-O 3.06Å; R99-G322 PolarHBondContact NH1-O 3.2Å; R99-G322 PolarHBondContact NH2-O 3.24Å; R99-G324 PolarHBondContact NH2-O 3.44Å; R99-L326 HydrophobicContact CB-CD2 4.2Å; R99-L326 HydrophobicContact CG-CB 4.49Å
100	F	94.2	Very high	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-41.6	174.9	-74.9	-50.4	0	0	0	111.3	L96 G97 L103 G104 H105 T107 F109 I144 L147 L275 L280	L96-F100 HydrophobicContact CB-CD2 4.34Å; L96-F100 HydrophobicContact CB-CE2 4.12Å; L96-F100 HydrophobicContact CD2-CE2 4.33Å; L96-F100 WeakPolarHBondContact O-CB 3.46Å; L96-F100 WeakPolarHBondContact O-CD2 3.33Å; L96-F100 WeakPolarHBondContact O-CG 3.21Å; L96-F100 PolarHBondContact O-N 2.98Å; G97-F100 PolarHBondContact O-N 2.83Å; F100-L103 CarbonylContact O-C 3.54Å; F100-L103 PolarHBondContact O-N 2.82Å; F100-L103 VanDerWaalsContact O-N 3.14Å; F100-G104 PolarHBondContact O-N 3.25Å; F100-G104 VanDerWaalsContact O-N 3.15Å; F100-H105 CarbonylContact C-O 3.57Å; F100-H105 HydrophobicContact CB-CB 4.18Å; F100-H105 WeakPolarHBondContact O-CA 3.44Å; F100-H105 WeakPolarHBondContact O-CB 3.5Å; F100-H105 PolarHBondContact O-N 3.14Å; F100-T107 HydrophobicContact CB-CG2 3.78Å; F100-T107 HydrophobicContact CD2-CG2 3.91Å; F100-T107 HydrophobicContact CG-CG2 3.86Å; F100-F109 HydrophobicContact CD2-CD2 4.15Å; F100-F109 HydrophobicContact CE2-CD2 4.02Å; F100-F109 HydrophobicContact CE2-CE2 4.25Å; F100-I144 HydrophobicContact CD1-CD1 3.71Å; F100-I144 HydrophobicContact CD1-CG1 4.25Å; F100-I144 HydrophobicContact CE1-CD1 3.87Å; F100-I144 HydrophobicContact CE1-CG1 4.18Å; F100-I144 HydrophobicContact CE1-CG2 3.83Å; F100-I144 HydrophobicContact CG-CD1 4.14Å; F100-I144 HydrophobicContact CZ-CD1 4.42Å; F100-I144 HydrophobicContact CZ-CG2 4.02Å; F100-L147 HydrophobicContact CE2-CD1 4.46Å; F100-L147 HydrophobicContact CZ-CD1 4.44Å; F100-L147 HydrophobicContact CZ-CD2 3.82Å; F100-L275 HydrophobicContact CD1-CD2 4.27Å; F100-L275 HydrophobicContact CE1-CD1 4.5Å; F100-L275 HydrophobicContact CE1-CD2 4.13Å; F100-L280 HydrophobicContact CD1-CD1 4.31Å; F100-L280 HydrophobicContact CE1-CD1 3.46Å; F100-L280 VanDerWaalsContact CE1-CD1 3.46Å; F100-L280 HydrophobicContact CZ-CD1 3.95Å
101	L	92.8	Very high	94.5	Very high	86 Å²	86	28.5 Å²	28.5	45%	0.45	16%	0.159	S	C	.	.	H	α-helix	trans	-61	-46.3	175.7	-175.6	71.7	0	0	0	111.9	G97 L98 R99 L103 G104 H105 M110	G97-L101 PolarHBondContact O-N 3.32Å; L98-L101 PolarHBondContact O-N 3.12Å; R99-L101 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 2.84Å; L101-G104 WeakPolarHBondContact O-CA 3.16Å; L101-G104 PolarHBondContact O-N 3.39Å; L101-H105 WeakPolarHBondContact CA-O 3.39Å; L101-H105 PolarHBondContact N-O 2.96Å; L101-M110 HydrophobicContact CB-CE 4.4Å; L101-M110 HydrophobicContact CB-SD 3.69Å; L101-M110 HydrophobicContact CD2-CE 3.66Å; L101-M110 HydrophobicContact CD2-SD 4.08Å; L101-M110 HydrophobicContact CG-CE 4.44Å; L101-M110 HydrophobicContact CG-SD 4.34Å
102	A	90.8	Very high	94.5	Very high	39 Å²	39	28.6 Å²	28.6	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-61	-29.5	176.4	0	0	0	0	0	112.7	L98 R99 G104 V320 E321	L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.09Å; R99-A102 PolarHBondContact O-N 3.27Å; A102-G104 VanDerWaalsContact C-N 3.29Å; A102-V320 HydrophobicContact CB-CG2 4.33Å; A102-E321 HydrophobicContact CB-CG 4.07Å
103	L	89.9	Confident	94.4	Very high	33 Å²	33	29.3 Å²	29.3	17%	0.173	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	4.9	173.7	-65.6	174.2	0	0	0	113.3	R99 F100 L101 H105 P273 L275 P276 L280	R99-L103 HydrophobicContact CG-CD1 4.23Å; R99-L103 WeakPolarHBondContact O-CB 3.3Å; R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.18Å; R99-L103 PolarHBondContact O-N 3.03Å; F100-L103 CarbonylContact O-C 3.54Å; F100-L103 PolarHBondContact O-N 2.82Å; F100-L103 VanDerWaalsContact O-N 3.14Å; L101-L103 PolarHBondContact O-N 2.84Å; L103-H105 PolarHBondContact O-CD2 3.32Å; L103-P273 WeakPolarHBondContact O-CG 2.98Å; L103-L275 HydrophobicContact CD1-CD2 3.93Å; L103-P276 HydrophobicContact CD1-CG 4.38Å; L103-P276 HydrophobicContact CD2-CG 4.05Å; L103-L280 HydrophobicContact CD1-CD2 4.11Å
104	G	90.3	Very high	94.2	Very high	55 Å²	55	29.7 Å²	29.7	57%	0.567	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	19.2	175.7	0	0	0	0	0	115.1	F100 L101 A102	F100-G104 PolarHBondContact O-N 3.25Å; F100-G104 VanDerWaalsContact O-N 3.15Å; L101-G104 WeakPolarHBondContact O-CA 3.16Å; L101-G104 PolarHBondContact O-N 3.39Å; A102-G104 VanDerWaalsContact C-N 3.29Å
105	H	90.1	Very high	94.2	Very high	5 Å²	5	28 Å²	28	2%	0.023	16%	0.161	C	C	.	.			trans	-115.8	128.1	179.7	-56.1	-90.5	0	0	0	112.1	F100 L101 L103 T107 P141 S143 I144 P273	F100-H105 CarbonylContact C-O 3.57Å; F100-H105 HydrophobicContact CB-CB 4.18Å; F100-H105 WeakPolarHBondContact O-CA 3.44Å; F100-H105 WeakPolarHBondContact O-CB 3.5Å; F100-H105 PolarHBondContact O-N 3.14Å; L101-H105 WeakPolarHBondContact CA-O 3.39Å; L101-H105 PolarHBondContact N-O 2.96Å; L103-H105 PolarHBondContact O-CD2 3.32Å; H105-T107 HydrophobicContact CB-CG2 4.23Å; H105-P141 HydrophobicContact CB-CG 4.48Å; H105-S143 PolarHBondContact CE1-OG 2.67Å; H105-S143 PolarHBondContact ND1-OG 3.37Å; H105-I144 HydrophobicContact CB-CD1 3.93Å; H105-I144 HydrophobicContact CB-CG1 4.45Å; H105-P273 PolarHBondContact CE1-O 3.44Å; H105-P273 PolarHBondContact NE2-O 2.83Å
106	H	91.3	Very high	94	Very high	126 Å²	126	32 Å²	32	58%	0.583	18%	0.18	S	C	*	.			trans	-86.7	122.6	166.7	-172	-81.7	0	0	0	109.4	P141	H106-P141 WeakPolarHBondContact O-CG 3.29Å
107	T	94.8	Very high	93.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.			trans	-134.5	155.1	-177.7	67.7	0	0	0	0	111.1	F100 H105 F109 M110 M140 P141 I144	F100-T107 HydrophobicContact CB-CG2 3.78Å; F100-T107 HydrophobicContact CD2-CG2 3.91Å; F100-T107 HydrophobicContact CG-CG2 3.86Å; H105-T107 HydrophobicContact CB-CG2 4.23Å; T107-F109 PolarHBondContact O-N 3.46Å; T107-F109 VanDerWaalsContact O-N 3.09Å; T107-M110 VanDerWaalsContact O-CB 3.3Å; T107-M110 WeakPolarHBondContact O-CB 3.45Å; T107-M110 WeakPolarHBondContact O-CG 3.48Å; T107-M110 PolarHBondContact O-N 2.95Å; T107-M140 HydrophobicContact CG2-CE 4.28Å; T107-M140 HydrophobicContact CG2-SD 4.39Å; T107-P141 HydrophobicContact CG2-CG 4.25Å; T107-I144 HydrophobicContact CG2-CD1 3.38Å
108	P	96.4	Very high	93.9	Very high	3 Å²	3	39 Å²	39	2%	0.019	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.6	-27.6	175.5	-29.9	38.3	0	0	0	114.7	M110 H111 C131 E134 I135 L139 M140	P108-M110 PolarHBondContact O-N 3.05Å; P108-M110 VanDerWaalsContact O-N 3.08Å; P108-H111 PolarHBondContact O-N 2.6Å; P108-H111 VanDerWaalsContact O-N 3.08Å; P108-C131 HydrophobicContact CB-CB 4.42Å; P108-E134 HydrophobicContact CB-CB 3.79Å; P108-E134 WeakPolarHBondContact CB-OE2 3.47Å; P108-E134 HydrophobicContact CG-CB 3.64Å; P108-E134 WeakPolarHBondContact CG-OE2 3.32Å; P108-I135 HydrophobicContact CB-CG1 4.34Å; P108-I135 HydrophobicContact CG-CG1 4.18Å; P108-L139 HydrophobicContact CG-CB 4.45Å; P108-M140 VanDerWaalsContact CD-SD 3.56Å; P108-M140 HydrophobicContact CG-SD 4.32Å
109	F	97.1	Very high	93.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.5	-22.6	177	-62.3	-73.3	0	0	0	113.5	L93 F100 T107 H111 I112 I135 M140 L147 L168	L93-F109 HydrophobicContact CD2-CD1 3.93Å; L93-F109 HydrophobicContact CD2-CE1 3.65Å; F100-F109 HydrophobicContact CD2-CD2 4.15Å; F100-F109 HydrophobicContact CE2-CD2 4.02Å; F100-F109 HydrophobicContact CE2-CE2 4.25Å; T107-F109 PolarHBondContact O-N 3.46Å; T107-F109 VanDerWaalsContact O-N 3.09Å; F109-H111 PolarHBondContact O-N 2.79Å; F109-H111 VanDerWaalsContact O-N 3.15Å; F109-I112 HydrophobicContact CD1-CD1 4.13Å; F109-I112 PolarHBondContact O-N 2.82Å; F109-I112 VanDerWaalsContact O-N 3.16Å; F109-I135 HydrophobicContact CE1-CD1 4.21Å; F109-I135 HydrophobicContact CE2-CD1 4.18Å; F109-I135 HydrophobicContact CZ-CD1 3.71Å; F109-M140 HydrophobicContact CD2-SD 4.45Å; F109-M140 HydrophobicContact CE2-CE 4.03Å; F109-M140 HydrophobicContact CE2-SD 4.04Å; F109-L147 HydrophobicContact CE2-CD1 3.49Å; F109-L147 VanDerWaalsContact CE2-CD1 3.49Å; F109-L147 HydrophobicContact CZ-CD1 3.76Å; F109-L168 HydrophobicContact CE1-CD1 4.02Å
110	M	94.3	Very high	93.5	Very high	56 Å²	56	48.7 Å²	48.7	28%	0.276	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.8	-20.4	175.3	-77.3	-63.2	-57.1	0	0	114.1	L101 T107 P108	L101-M110 HydrophobicContact CB-CE 4.4Å; L101-M110 HydrophobicContact CB-SD 3.69Å; L101-M110 HydrophobicContact CD2-CE 3.66Å; L101-M110 HydrophobicContact CD2-SD 4.08Å; L101-M110 HydrophobicContact CG-CE 4.44Å; L101-M110 HydrophobicContact CG-SD 4.34Å; T107-M110 VanDerWaalsContact O-CB 3.3Å; T107-M110 WeakPolarHBondContact O-CB 3.45Å; T107-M110 WeakPolarHBondContact O-CG 3.48Å; T107-M110 PolarHBondContact O-N 2.95Å; P108-M110 PolarHBondContact O-N 3.05Å; P108-M110 VanDerWaalsContact O-N 3.08Å
111	H	93.9	Very high	93.4	Very high	108 Å²	108	49.6 Å²	49.6	50%	0.5	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-89.7	-8.7	-178.6	-57.8	-45.4	0	0	0	113.3	P108 F109 E134	P108-H111 PolarHBondContact O-N 2.6Å; P108-H111 VanDerWaalsContact O-N 3.08Å; F109-H111 PolarHBondContact O-N 2.79Å; F109-H111 VanDerWaalsContact O-N 3.15Å; H111-E134 IonicContact CD2-OE1 3.17Å; H111-E134 IonicContact CD2-OE2 3.83Å
112	I	97.4	Very high	93.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-82.8	131.8	174.2	-60	170.7	0	0	0	108.1	I90 L93 H94 F109 V128 C131	I90-I112 HydrophobicContact CG2-CG2 4.42Å; L93-I112 HydrophobicContact CB-CD1 3.87Å; L93-I112 HydrophobicContact CB-CG2 4.41Å; L93-I112 HydrophobicContact CD1-CD1 4.28Å; H94-I112 HydrophobicContact CB-CG2 4.32Å; H94-I112 PolarHBondContact ND1-O 3.01Å; F109-I112 HydrophobicContact CD1-CD1 4.13Å; F109-I112 PolarHBondContact O-N 2.82Å; F109-I112 VanDerWaalsContact O-N 3.16Å; I112-V128 HydrophobicContact CD1-CG2 4.19Å; I112-C131 HydrophobicContact CD1-CB 3.86Å; I112-C131 HydrophobicContact CG1-CB 4.07Å
113	G	95.9	Very high	93.7	Very high	15 Å²	15	51.9 Å²	51.9	16%	0.155	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-93.6	170	172.8	0	0	0	0	0	112.4	I90 Y118	I90-G113 WeakPolarHBondContact CG2-O 3.46Å; G113-Y118 PolarHBondContact N-OH 2.81Å; G113-Y118 WeakPolarHBondContact O-CE2 3.38Å
114	M	95.3	Very high	93.9	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.044	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-60.9	151.4	169.9	-71.5	-66.2	-68.3	0	0	111.7	N91 H94 H116 N117 Y118 P305 F306	N91-M114 HydrophobicContact CB-CE 3.98Å; N91-M114 HydrophobicContact CB-SD 4.15Å; N91-M114 VanDerWaalsContact OD1-CE 3.27Å; N91-M114 WeakPolarHBondContact OD1-CE 3.48Å; H94-M114 HydrophobicContact CB-SD 4.38Å; H94-M114 PolarHBondContact CD2-SD 3.37Å; M114-H116 VanDerWaalsContact C-N 3.27Å; M114-H116 VanDerWaalsContact CB-CE1 3.42Å; M114-H116 WeakPolarHBondContact CB-CE1 2.96Å; M114-H116 PolarHBondContact O-N 2.97Å; M114-N117 VanDerWaalsContact O-CB 3.32Å; M114-N117 WeakPolarHBondContact O-CB 3.5Å; M114-N117 PolarHBondContact O-N 2.88Å; M114-Y118 WeakPolarHBondContact O-CD2 3.37Å; M114-P305 HydrophobicContact CE-CB 3.4Å; M114-P305 VanDerWaalsContact CE-CB 3.4Å; M114-P305 HydrophobicContact CE-CG 3.67Å; M114-P305 HydrophobicContact SD-CB 4.37Å; M114-P305 HydrophobicContact SD-CG 4.22Å; M114-F306 HydrophobicContact CE-CZ 4.38Å; M114-F306 HydrophobicContact SD-CE2 3.77Å; M114-F306 HydrophobicContact SD-CZ 3.62Å
115	A	95.4	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-53.6	-42.3	-177	0	0	0	0	0	112.9	A87 I90 N91 N117 Y118 Q336	A87-A115 HydrophobicContact CB-CB 4.07Å; I90-A115 HydrophobicContact CB-CB 4.17Å; I90-A115 HydrophobicContact CD1-CB 4.34Å; I90-A115 HydrophobicContact CG2-CB 4.02Å; N91-A115 WeakPolarHBondContact OD1-CB 3.39Å; N91-A115 PolarHBondContact OD1-N 2.84Å; A115-N117 PolarHBondContact O-N 3.01Å; A115-Y118 PolarHBondContact O-N 3.1Å; A115-Q336 HydrophobicContact CB-CB 3.88Å
116	H	93.3	Very high	94.5	Very high	84 Å²	84	53.3 Å²	53.3	39%	0.389	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-70.3	-10.1	179.8	64.6	-95	0	0	0	114.8	M114 Y118 Q336	M114-H116 VanDerWaalsContact C-N 3.27Å; M114-H116 VanDerWaalsContact CB-CE1 3.42Å; M114-H116 WeakPolarHBondContact CB-CE1 2.96Å; M114-H116 PolarHBondContact O-N 2.97Å; H116-Y118 VanDerWaalsContact C-N 3.28Å; H116-Q336 HydrophobicContact CB-CB 4.06Å; H116-Q336 HydrophobicContact CB-CG 4.09Å; H116-Q336 PolarHBondContact ND1-OE1 3.32Å
117	N	94.7	Very high	94.8	Very high	111 Å²	111	48.1 Å²	48.1	59%	0.594	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-79.1	-15.6	175	-70	-15.5	0	0	0	112.4	M114 A115	M114-N117 VanDerWaalsContact O-CB 3.32Å; M114-N117 WeakPolarHBondContact O-CB 3.5Å; M114-N117 PolarHBondContact O-N 2.88Å; A115-N117 PolarHBondContact O-N 3.01Å
118	Y	94.9	Very high	95	Very high	37 Å²	37	48.1 Å²	48.1	15%	0.145	24%	0.239	C	C	.	.	S	Bend	trans	-92.5	142.4	178.6	-58.9	-72	0	0	0	110.7	I90 G113 M114 A115 H116 N120 Q123 A124 A127	I90-Y118 HydrophobicContact CG2-CD2 4.42Å; I90-Y118 HydrophobicContact CG2-CE2 3.95Å; G113-Y118 PolarHBondContact N-OH 2.81Å; G113-Y118 WeakPolarHBondContact O-CE2 3.38Å; M114-Y118 WeakPolarHBondContact O-CD2 3.37Å; A115-Y118 PolarHBondContact O-N 3.1Å; H116-Y118 VanDerWaalsContact C-N 3.28Å; Y118-N120 VanDerWaalsContact C-N 3.32Å; Y118-Q123 HydrophobicContact CD1-CB 3.84Å; Y118-Q123 HydrophobicContact CG-CB 4.43Å; Y118-A124 HydrophobicContact CD1-CB 4.28Å; Y118-A124 HydrophobicContact CD2-CB 3.47Å; Y118-A124 VanDerWaalsContact CD2-CB 3.47Å; Y118-A124 HydrophobicContact CE2-CB 3.82Å; Y118-A124 HydrophobicContact CG-CB 3.72Å; Y118-A127 HydrophobicContact CE1-CB 3.88Å; Y118-A127 WeakPolarHBondContact OH-CB 3.21Å
119	R	90.1	Very high	95.1	Very high	201 Å²	201	53.4 Å²	53.4	76%	0.758	26%	0.258	S	S	*	.	S	Bend	trans	-72.9	-28.8	178.6	-176.1	173.3	175.6	169.2	-1.1	112.7
120	N	90.6	Very high	95.1	Very high	52 Å²	52	57.4 Å²	57.4	28%	0.278	28%	0.28	S	S	.	.	S	Bend	trans	-157.3	165.2	179.5	55.7	50.6	0	0	0	109.5	Y118 S122 Q123 E340	Y118-N120 VanDerWaalsContact C-N 3.32Å; N120-S122 PolarHBondContact O-N 2.95Å; N120-S122 WeakPolarHBondContact OD1-CB 3.36Å; N120-S122 PolarHBondContact OD1-N 3.22Å; N120-Q123 PolarHBondContact O-N 3.05Å; N120-Q123 PolarHBondContact OD1-N 3.39Å; N120-E340 WeakPolarHBondContact CA-OE1 3.34Å; N120-E340 VanDerWaalsContact CB-OE1 3.31Å; N120-E340 WeakPolarHBondContact CB-OE1 3.39Å
121	V	91.8	Very high	95.2	Very high	20 Å²	20	54.9 Å²	54.9	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-33	-177.4	69.5	0	0	0	0	112.8	W83 V86 Q123 A124 I125 E340	W83-V121 HydrophobicContact CH2-CG1 4.2Å; W83-V121 HydrophobicContact CZ3-CB 4.01Å; W83-V121 HydrophobicContact CZ3-CG1 4.16Å; W83-V121 HydrophobicContact CZ3-CG2 3.93Å; V86-V121 HydrophobicContact CG1-CG2 3.83Å; V121-Q123 VanDerWaalsContact C-N 3.28Å; V121-Q123 PolarHBondContact O-N 3.49Å; V121-A124 WeakPolarHBondContact O-CB 3.44Å; V121-A124 PolarHBondContact O-N 3.44Å; V121-I125 HydrophobicContact CG2-CD1 4Å; V121-I125 HydrophobicContact CG2-CG1 4.24Å; V121-I125 WeakPolarHBondContact O-CG1 3.44Å; V121-I125 PolarHBondContact O-N 3.38Å; V121-E340 HydrophobicContact CB-CG 4.41Å; V121-E340 HydrophobicContact CG1-CG 4.06Å; V121-E340 PolarHBondContact N-OE1 3.31Å
122	S	93.7	Very high	95.4	Very high	81 Å²	81	49.9 Å²	49.9	57%	0.566	25%	0.246	S	C	*	.	H	α-helix	trans	-61.1	-35.1	-179.3	-55.7	0	0	0	0	112.9	N120 Q126	N120-S122 PolarHBondContact O-N 2.95Å; N120-S122 WeakPolarHBondContact OD1-CB 3.36Å; N120-S122 PolarHBondContact OD1-N 3.22Å; S122-Q126 PolarHBondContact O-N 3.46Å; S122-Q126 VanDerWaalsContact O-N 3.1Å
123	Q	95.7	Very high	95.4	Very high	91 Å²	91	56.9 Å²	56.9	43%	0.425	27%	0.273	S	S	.	.	H	α-helix	trans	-69.3	-39.5	174.2	-70.3	-178.4	-9.7	0	0	112.1	Y118 N120 V121 Q126 A127	Y118-Q123 HydrophobicContact CD1-CB 3.84Å; Y118-Q123 HydrophobicContact CG-CB 4.43Å; N120-Q123 PolarHBondContact O-N 3.05Å; N120-Q123 PolarHBondContact OD1-N 3.39Å; V121-Q123 VanDerWaalsContact C-N 3.28Å; V121-Q123 PolarHBondContact O-N 3.49Å; Q123-Q126 PolarHBondContact O-N 2.88Å; Q123-A127 PolarHBondContact O-N 2.87Å; Q123-A127 VanDerWaalsContact O-N 3.14Å
124	A	95	Very high	95.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-44.2	175.8	0	0	0	0	0	111.2	I90 Y118 V121 Q126 A127 V128	I90-A124 HydrophobicContact CD1-CB 3.58Å; I90-A124 HydrophobicContact CG1-CB 4.22Å; Y118-A124 HydrophobicContact CD1-CB 4.28Å; Y118-A124 HydrophobicContact CD2-CB 3.47Å; Y118-A124 VanDerWaalsContact CD2-CB 3.47Å; Y118-A124 HydrophobicContact CE2-CB 3.82Å; Y118-A124 HydrophobicContact CG-CB 3.72Å; V121-A124 WeakPolarHBondContact O-CB 3.44Å; V121-A124 PolarHBondContact O-N 3.44Å; A124-Q126 VanDerWaalsContact C-N 3.3Å; A124-Q126 PolarHBondContact O-N 2.9Å; A124-A127 PolarHBondContact O-N 2.81Å; A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 3.13Å
125	I	96.4	Very high	95.5	Very high	34 Å²	34	58.3 Å²	58.3	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-55.6	-45.9	174.2	-72.9	167	0	0	0	110.7	V121 A127 V128 R129 M164 E167	V121-I125 HydrophobicContact CG2-CD1 4Å; V121-I125 HydrophobicContact CG2-CG1 4.24Å; V121-I125 WeakPolarHBondContact O-CG1 3.44Å; V121-I125 PolarHBondContact O-N 3.38Å; I125-A127 VanDerWaalsContact C-N 3.35Å; I125-A127 PolarHBondContact O-N 2.8Å; I125-V128 PolarHBondContact O-N 2.96Å; I125-R129 HydrophobicContact CG2-CG 4.36Å; I125-R129 WeakPolarHBondContact O-CG 3.41Å; I125-R129 PolarHBondContact O-N 2.88Å; I125-M164 HydrophobicContact CG1-CE 4.02Å; I125-M164 HydrophobicContact CG1-SD 3.86Å; I125-E167 HydrophobicContact CG2-CG 4.01Å
126	Q	97.5	Very high	95.6	Very high	90 Å²	90	61 Å²	61	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-43.3	178.8	-171.4	60	49.4	0	0	112.1	S122 Q123 A124 V128 R129 D130	S122-Q126 PolarHBondContact O-N 3.46Å; S122-Q126 VanDerWaalsContact O-N 3.1Å; Q123-Q126 PolarHBondContact O-N 2.88Å; A124-Q126 VanDerWaalsContact C-N 3.3Å; A124-Q126 PolarHBondContact O-N 2.9Å; Q126-V128 VanDerWaalsContact C-N 3.33Å; Q126-V128 PolarHBondContact O-N 3.29Å; Q126-R129 WeakPolarHBondContact O-CB 3.32Å; Q126-R129 PolarHBondContact O-N 3.48Å; Q126-D130 PolarHBondContact NE2-OD1 3.35Å; Q126-D130 PolarHBondContact O-N 3.21Å
127	A	97.5	Very high	95.7	Very high	17 Å²	17	61.4 Å²	61.4	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-37.9	177.6	0	0	0	0	0	112.7	Y118 Q123 A124 I125 C131	Y118-A127 HydrophobicContact CE1-CB 3.88Å; Y118-A127 WeakPolarHBondContact OH-CB 3.21Å; Q123-A127 PolarHBondContact O-N 2.87Å; Q123-A127 VanDerWaalsContact O-N 3.14Å; A124-A127 PolarHBondContact O-N 2.81Å; I125-A127 VanDerWaalsContact C-N 3.35Å; I125-A127 PolarHBondContact O-N 2.8Å; A127-C131 PolarHBondContact O-N 2.9Å; A127-C131 VanDerWaalsContact O-N 3.14Å
128	V	97.9	Very high	95.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-41	174.5	179.9	0	0	0	0	111	L93 I112 A124 I125 Q126 D130 C131 G132 M164 E167 L168	L93-V128 HydrophobicContact CD1-CG1 4.09Å; L93-V128 HydrophobicContact CD1-CG2 4.05Å; I112-V128 HydrophobicContact CD1-CG2 4.19Å; A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 3.13Å; I125-V128 PolarHBondContact O-N 2.96Å; Q126-V128 VanDerWaalsContact C-N 3.33Å; Q126-V128 PolarHBondContact O-N 3.29Å; V128-D130 PolarHBondContact O-N 2.93Å; V128-C131 WeakPolarHBondContact O-CB 3.27Å; V128-C131 PolarHBondContact O-N 2.96Å; V128-G132 PolarHBondContact O-N 2.84Å; V128-M164 HydrophobicContact CB-CE 4.09Å; V128-M164 HydrophobicContact CG2-CE 3.54Å; V128-E167 HydrophobicContact CB-CB 4.29Å; V128-E167 HydrophobicContact CG1-CB 3.85Å; V128-L168 HydrophobicContact CG1-CD2 3.64Å; V128-L168 HydrophobicContact CG1-CG 3.88Å; V128-L168 WeakPolarHBondContact O-CD2 3.42Å
129	R	97.8	Very high	95.5	Very high	114 Å²	114	60.5 Å²	60.5	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-43.5	174.3	-75.7	-179.4	176.9	151.2	12.1	112.7	I125 Q126 C131 G132 Y133 E167	I125-R129 HydrophobicContact CG2-CG 4.36Å; I125-R129 WeakPolarHBondContact O-CG 3.41Å; I125-R129 PolarHBondContact O-N 2.88Å; Q126-R129 WeakPolarHBondContact O-CB 3.32Å; Q126-R129 PolarHBondContact O-N 3.48Å; R129-C131 VanDerWaalsContact C-N 3.34Å; R129-G132 WeakPolarHBondContact O-CA 3.32Å; R129-G132 PolarHBondContact O-N 2.8Å; R129-G132 VanDerWaalsContact O-N 3.14Å; R129-Y133 PolarHBondContact O-N 2.85Å; R129-E167 HydrophobicContact CG-CB 3.93Å; R129-E167 HydrophobicContact CG-CG 4.45Å; R129-E167 WeakPolarHBondContact CG-OE2 3.36Å; R129-E167 IonicContact CZ-OE1 2.81Å; R129-E167 IonicContact CZ-OE2 3.05Å; R129-E167 VanDerWaalsContact CZ-OE2 3.27Å; R129-E167 IonicContact NE-OE1 3.66Å; R129-E167 IonicContact NE-OE2 3.27Å; R129-E167 PolarHBondContact NE-OE2 3.11Å; R129-E167 VanDerWaalsContact NH2-CD 3.29Å; R129-E167 IonicContact NH2-OE1 3.81Å; R129-E167 PolarHBondContact NH2-OE1 3.11Å; R129-E167 IonicContact NH2-OE2 3.76Å; R129-E167 PolarHBondContact NH2-OE2 3.31Å
130	D	97.8	Very high	95.6	Very high	84 Å²	84	51.8 Å²	51.8	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-43.5	178.9	-65.8	-18.3	0	0	0	110.5	Q126 V128 G132 Y133 E134	Q126-D130 PolarHBondContact NE2-OD1 3.35Å; Q126-D130 PolarHBondContact O-N 3.21Å; V128-D130 PolarHBondContact O-N 2.93Å; D130-G132 PolarHBondContact O-N 2.91Å; D130-Y133 WeakPolarHBondContact O-CB 3.39Å; D130-Y133 PolarHBondContact O-N 3.38Å; D130-E134 PolarHBondContact O-N 3.46Å
131	C	97.6	Very high	95.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-45.5	170.2	173.3	0	0	0	0	111.9	P108 I112 A127 V128 R129 Y133 E134 I135 L168	P108-C131 HydrophobicContact CB-CB 4.42Å; I112-C131 HydrophobicContact CD1-CB 3.86Å; I112-C131 HydrophobicContact CG1-CB 4.07Å; A127-C131 PolarHBondContact O-N 2.9Å; A127-C131 VanDerWaalsContact O-N 3.14Å; V128-C131 WeakPolarHBondContact O-CB 3.27Å; V128-C131 PolarHBondContact O-N 2.96Å; R129-C131 VanDerWaalsContact C-N 3.34Å; C131-Y133 VanDerWaalsContact C-N 3.32Å; C131-Y133 PolarHBondContact O-N 3.46Å; C131-E134 PolarHBondContact O-N 2.98Å; C131-I135 WeakPolarHBondContact O-CG1 3.41Å; C131-I135 PolarHBondContact O-N 3.19Å; C131-L168 HydrophobicContact CB-CD2 4.4Å
132	G	97.1	Very high	95.3	Very high	4 Å²	4	59.2 Å²	59.2	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-39.3	177.4	0	0	0	0	0	113.3	V128 R129 D130 I135 S136 P169	V128-G132 PolarHBondContact O-N 2.84Å; R129-G132 WeakPolarHBondContact O-CA 3.32Å; R129-G132 PolarHBondContact O-N 2.8Å; R129-G132 VanDerWaalsContact O-N 3.14Å; D130-G132 PolarHBondContact O-N 2.91Å; G132-I135 PolarHBondContact O-N 3.17Å; G132-S136 PolarHBondContact O-N 3.18Å; G132-P169 VanDerWaalsContact O-CD 3.26Å; G132-P169 WeakPolarHBondContact O-CD 3.28Å; G132-P169 WeakPolarHBondContact O-CG 3.34Å
133	Y	97.3	Very high	94.9	Very high	148 Å²	148	56.8 Å²	56.8	58%	0.58	28%	0.279	S	S	*	.	H	α-helix	trans	-61.6	-45.4	175.6	-178	-104.4	0	0	0	111.4	R129 D130 C131 I135 S136 M137	R129-Y133 PolarHBondContact O-N 2.85Å; D130-Y133 WeakPolarHBondContact O-CB 3.39Å; D130-Y133 PolarHBondContact O-N 3.38Å; C131-Y133 VanDerWaalsContact C-N 3.32Å; C131-Y133 PolarHBondContact O-N 3.46Å; Y133-I135 PolarHBondContact O-N 3.36Å; Y133-S136 PolarHBondContact O-N 2.96Å; Y133-S136 PolarHBondContact O-OG 2.8Å; Y133-M137 HydrophobicContact CD1-CE 3.57Å; Y133-M137 HydrophobicContact CD1-SD 4.13Å; Y133-M137 HydrophobicContact CE1-CE 3.39Å; Y133-M137 HydrophobicContact CE1-CG 4.27Å; Y133-M137 HydrophobicContact CE1-SD 3.43Å; Y133-M137 WeakPolarHBondContact CE1-SD 3.45Å; Y133-M137 WeakPolarHBondContact O-CG 3.43Å; Y133-M137 PolarHBondContact O-N 2.87Å; Y133-M137 VanDerWaalsContact O-N 3.13Å
134	E	97.3	Very high	94.5	Very high	54 Å²	54	52.8 Å²	52.8	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-41	175.5	-69.9	-173.8	-164.9	0	0	113.1	P108 H111 D130 C131 S136 M137 G138 L139	P108-E134 HydrophobicContact CB-CB 3.79Å; P108-E134 WeakPolarHBondContact CB-OE2 3.47Å; P108-E134 HydrophobicContact CG-CB 3.64Å; P108-E134 WeakPolarHBondContact CG-OE2 3.32Å; H111-E134 IonicContact CD2-OE1 3.17Å; H111-E134 IonicContact CD2-OE2 3.83Å; D130-E134 PolarHBondContact O-N 3.46Å; C131-E134 PolarHBondContact O-N 2.98Å; E134-S136 VanDerWaalsContact C-N 3.33Å; E134-S136 PolarHBondContact O-N 2.65Å; E134-M137 HydrophobicContact CG-CE 4.23Å; E134-M137 PolarHBondContact O-N 2.73Å; E134-G138 PolarHBondContact O-N 2.95Å; E134-L139 HydrophobicContact CB-CB 4.37Å; E134-L139 HydrophobicContact CB-CD1 3.94Å; E134-L139 HydrophobicContact CG-CD1 3.99Å; E134-L139 WeakPolarHBondContact O-CB 3.36Å; E134-L139 WeakPolarHBondContact O-CG 3.14Å; E134-L139 PolarHBondContact O-N 3.12Å; E134-L139 VanDerWaalsContact O-N 3.15Å
135	I	96.6	Very high	94.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-45.7	173.8	-66.2	169.9	0	0	0	110.1	P108 F109 C131 G132 Y133 M137 G138 M140 L168 P169 N188 V190	P108-I135 HydrophobicContact CB-CG1 4.34Å; P108-I135 HydrophobicContact CG-CG1 4.18Å; F109-I135 HydrophobicContact CE1-CD1 4.21Å; F109-I135 HydrophobicContact CE2-CD1 4.18Å; F109-I135 HydrophobicContact CZ-CD1 3.71Å; C131-I135 WeakPolarHBondContact O-CG1 3.41Å; C131-I135 PolarHBondContact O-N 3.19Å; G132-I135 PolarHBondContact O-N 3.17Å; Y133-I135 PolarHBondContact O-N 3.36Å; I135-M137 PolarHBondContact O-N 2.9Å; I135-G138 WeakPolarHBondContact O-CA 3.48Å; I135-G138 PolarHBondContact O-N 2.89Å; I135-M140 HydrophobicContact CB-CG 4.42Å; I135-M140 HydrophobicContact CG1-CG 3.93Å; I135-M140 HydrophobicContact CG1-SD 4.16Å; I135-M140 HydrophobicContact CG2-CG 4.21Å; I135-L168 HydrophobicContact CD1-CD2 4.32Å; I135-P169 HydrophobicContact CB-CG 4Å; I135-P169 HydrophobicContact CG2-CG 3.74Å; I135-N188 WeakPolarHBondContact O-CA 3.44Å; I135-V190 HydrophobicContact CD1-CG1 4.4Å
136	S	96.4	Very high	94.2	Very high	56 Å²	56	52.7 Å²	52.7	39%	0.392	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-26	-179.8	78.2	0	0	0	0	113.9	G132 Y133 E134 G138 N188	G132-S136 PolarHBondContact O-N 3.18Å; Y133-S136 PolarHBondContact O-N 2.96Å; Y133-S136 PolarHBondContact O-OG 2.8Å; E134-S136 VanDerWaalsContact C-N 3.33Å; E134-S136 PolarHBondContact O-N 2.65Å; S136-G138 PolarHBondContact O-N 2.83Å; S136-N188 WeakPolarHBondContact CA-O 3.38Å
137	M	96.2	Very high	94.2	Very high	93 Å²	93	48.8 Å²	48.8	46%	0.458	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.8	172.9	-68.3	-168.9	-64.3	0	0	113.3	Y133 E134 I135 L139	Y133-M137 HydrophobicContact CD1-CE 3.57Å; Y133-M137 HydrophobicContact CD1-SD 4.13Å; Y133-M137 HydrophobicContact CE1-CE 3.39Å; Y133-M137 HydrophobicContact CE1-CG 4.27Å; Y133-M137 HydrophobicContact CE1-SD 3.43Å; Y133-M137 WeakPolarHBondContact CE1-SD 3.45Å; Y133-M137 WeakPolarHBondContact O-CG 3.43Å; Y133-M137 PolarHBondContact O-N 2.87Å; Y133-M137 VanDerWaalsContact O-N 3.13Å; E134-M137 HydrophobicContact CG-CE 4.23Å; E134-M137 PolarHBondContact O-N 2.73Å; I135-M137 PolarHBondContact O-N 2.9Å; M137-L139 HydrophobicContact CB-CG 4.2Å; M137-L139 HydrophobicContact CE-CD1 3.81Å
138	G	92.8	Very high	94.2	Very high	33 Å²	33	48 Å²	48	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	28.2	-179.3	0	0	0	0	0	114.1	E134 I135 S136 M140 N188	E134-G138 PolarHBondContact O-N 2.95Å; I135-G138 WeakPolarHBondContact O-CA 3.48Å; I135-G138 PolarHBondContact O-N 2.89Å; S136-G138 PolarHBondContact O-N 2.83Å; G138-M140 PolarHBondContact O-N 3.13Å; G138-N188 WeakPolarHBondContact CA-OD1 3.31Å
139	L	93.2	Very high	94.2	Very high	95 Å²	95	48 Å²	48	50%	0.497	24%	0.241	S	C	.	.			trans	-80.2	8.2	177.6	-58.9	-175.6	0	0	0	113.8	P108 E134 M137	P108-L139 HydrophobicContact CG-CB 4.45Å; E134-L139 HydrophobicContact CB-CB 4.37Å; E134-L139 HydrophobicContact CB-CD1 3.94Å; E134-L139 HydrophobicContact CG-CD1 3.99Å; E134-L139 WeakPolarHBondContact O-CB 3.36Å; E134-L139 WeakPolarHBondContact O-CG 3.14Å; E134-L139 PolarHBondContact O-N 3.12Å; E134-L139 VanDerWaalsContact O-N 3.15Å; M137-L139 HydrophobicContact CB-CG 4.2Å; M137-L139 HydrophobicContact CE-CD1 3.81Å
140	M	92.6	Very high	94.2	Very high	18 Å²	18	42.5 Å²	42.5	9%	0.089	22%	0.22	C	C	.	.	S	Bend	trans	-80.2	133.3	172.5	-76	-64.9	-66.2	0	0	111.8	T107 P108 F109 I135 G138 R142 I144 L147	T107-M140 HydrophobicContact CG2-CE 4.28Å; T107-M140 HydrophobicContact CG2-SD 4.39Å; P108-M140 VanDerWaalsContact CD-SD 3.56Å; P108-M140 HydrophobicContact CG-SD 4.32Å; F109-M140 HydrophobicContact CD2-SD 4.45Å; F109-M140 HydrophobicContact CE2-CE 4.03Å; F109-M140 HydrophobicContact CE2-SD 4.04Å; I135-M140 HydrophobicContact CB-CG 4.42Å; I135-M140 HydrophobicContact CG1-CG 3.93Å; I135-M140 HydrophobicContact CG1-SD 4.16Å; I135-M140 HydrophobicContact CG2-CG 4.21Å; G138-M140 PolarHBondContact O-N 3.13Å; M140-R142 PolarHBondContact O-N 3.18Å; M140-I144 HydrophobicContact CE-CD1 4.01Å; M140-I144 HydrophobicContact CE-CG2 4.13Å; M140-L147 HydrophobicContact CE-CD1 3.68Å; M140-L147 HydrophobicContact CE-CG 4.34Å
141	P	89.9	Confident	94.2	Very high	29 Å²	29	38.5 Å²	38.5	19%	0.188	20%	0.199	C	C	.	.			trans	-59.5	129.7	172.7	-24.6	33.1	0	0	0	112.7	H105 H106 T107 S143 I144	H105-P141 HydrophobicContact CB-CG 4.48Å; H106-P141 WeakPolarHBondContact O-CG 3.29Å; T107-P141 HydrophobicContact CG2-CG 4.25Å; P141-S143 PolarHBondContact O-N 3.48Å; P141-S143 VanDerWaalsContact O-N 3.14Å; P141-I144 HydrophobicContact CB-CD1 4.2Å; P141-I144 HydrophobicContact CB-CG1 4.35Å; P141-I144 HydrophobicContact CG-CD1 4.09Å; P141-I144 WeakPolarHBondContact O-CB 2.92Å; P141-I144 PolarHBondContact O-N 2.65Å; P141-I144 VanDerWaalsContact O-N 3.14Å
142	R	85.5	Confident	94.1	Very high	199 Å²	199	38.4 Å²	38.4	75%	0.751	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	-179.5	-61.2	-170.5	176.7	177.4	-1.7	114.1	M140 I144 G145 M187	M140-R142 PolarHBondContact O-N 3.18Å; R142-I144 PolarHBondContact O-N 2.96Å; R142-G145 PolarHBondContact O-N 2.63Å; R142-M187 HydrophobicContact CB-CE 4.09Å; R142-M187 HydrophobicContact CB-SD 4.41Å; R142-M187 HydrophobicContact CG-CE 3.77Å
143	S	84.2	Confident	93.6	Very high	30 Å²	30	39 Å²	39	21%	0.21	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16	178.6	44.6	0	0	0	0	114.1	H105 P141 S272	H105-S143 PolarHBondContact CE1-OG 2.67Å; H105-S143 PolarHBondContact ND1-OG 3.37Å; P141-S143 PolarHBondContact O-N 3.48Å; P141-S143 VanDerWaalsContact O-N 3.14Å; S143-S272 WeakPolarHBondContact OG-CB 3.19Å
144	I	88.5	Confident	93.1	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.041	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-31.7	176.7	-67.6	176.9	0	0	0	111.3	F100 H105 T107 M140 P141 R142 L147 L275	F100-I144 HydrophobicContact CD1-CD1 3.71Å; F100-I144 HydrophobicContact CD1-CG1 4.25Å; F100-I144 HydrophobicContact CE1-CD1 3.87Å; F100-I144 HydrophobicContact CE1-CG1 4.18Å; F100-I144 HydrophobicContact CE1-CG2 3.83Å; F100-I144 HydrophobicContact CG-CD1 4.14Å; F100-I144 HydrophobicContact CZ-CD1 4.42Å; F100-I144 HydrophobicContact CZ-CG2 4.02Å; H105-I144 HydrophobicContact CB-CD1 3.93Å; H105-I144 HydrophobicContact CB-CG1 4.45Å; T107-I144 HydrophobicContact CG2-CD1 3.38Å; M140-I144 HydrophobicContact CE-CD1 4.01Å; M140-I144 HydrophobicContact CE-CG2 4.13Å; P141-I144 HydrophobicContact CB-CD1 4.2Å; P141-I144 HydrophobicContact CB-CG1 4.35Å; P141-I144 HydrophobicContact CG-CD1 4.09Å; P141-I144 WeakPolarHBondContact O-CB 2.92Å; P141-I144 PolarHBondContact O-N 2.65Å; P141-I144 VanDerWaalsContact O-N 3.14Å; R142-I144 PolarHBondContact O-N 2.96Å; I144-L147 HydrophobicContact CG2-CD2 3.55Å; I144-L147 HydrophobicContact CG2-CG 4.28Å; I144-L275 HydrophobicContact CB-CD1 4.39Å; I144-L275 HydrophobicContact CG1-CD2 4.5Å; I144-L275 HydrophobicContact CG2-CD1 4.1Å; I144-L275 WeakPolarHBondContact O-CD1 3.47Å
145	G	90.4	Very high	92.6	Very high	20 Å²	20	35.5 Å²	35.5	21%	0.206	21%	0.21	C	C	.	.			trans	66.8	-169	-172.9	0	0	0	0	0	113.6	R142	R142-G145 PolarHBondContact O-N 2.63Å
146	P	94	Very high	92.3	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.078	23%	0.226	C	C	.	.			trans	-67.2	133.5	-177.4	-21.7	34.4	0	0	0	112.5	V181 G185 Y191 K278	P146-V181 VanDerWaalsContact CB-O 3.24Å; P146-V181 WeakPolarHBondContact CB-O 3.19Å; P146-G185 VanDerWaalsContact CG-O 3.29Å; P146-G185 WeakPolarHBondContact CG-O 3.49Å; P146-Y191 HydrophobicContact CB-CD2 4.41Å; P146-Y191 HydrophobicContact CB-CE2 4.31Å; P146-K278 PolarHBondContact O-NZ 2.82Å
147	L	96.7	Very high	92	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.5	177.4	-63	-176.6	0	0	0	111.3	F100 F109 M140 I144 F149 V190 Y191 T234	F100-L147 HydrophobicContact CE2-CD1 4.46Å; F100-L147 HydrophobicContact CZ-CD1 4.44Å; F100-L147 HydrophobicContact CZ-CD2 3.82Å; F109-L147 HydrophobicContact CE2-CD1 3.49Å; F109-L147 VanDerWaalsContact CE2-CD1 3.49Å; F109-L147 HydrophobicContact CZ-CD1 3.76Å; M140-L147 HydrophobicContact CE-CD1 3.68Å; M140-L147 HydrophobicContact CE-CG 4.34Å; I144-L147 HydrophobicContact CG2-CD2 3.55Å; I144-L147 HydrophobicContact CG2-CG 4.28Å; L147-F149 HydrophobicContact CB-CE2 4.01Å; L147-V190 HydrophobicContact CB-CG1 4.21Å; L147-V190 HydrophobicContact CD1-CG1 4.41Å; L147-Y191 PolarHBondContact O-N 2.97Å; L147-T234 HydrophobicContact CD2-CG2 3.64Å
148	T	98	Very high	91.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.8	-176.8	47.5	0	0	0	0	110.5	L178 V181 Y191 Y232 T233 T234 C235	T148-L178 HydrophobicContact CG2-CD1 4.33Å; T148-V181 HydrophobicContact CG2-CG2 4.16Å; T148-Y191 CarbonylContact C-O 3.33Å; T148-Y191 WeakPolarHBondContact CA-O 3.38Å; T148-Y232 WeakPolarHBondContact CB-O 3.35Å; T148-Y232 PolarHBondContact OG1-O 3.38Å; T148-T233 WeakPolarHBondContact OG1-CA 3.38Å; T148-T234 PolarHBondContact N-OG1 3.43Å; T148-T234 WeakPolarHBondContact O-CA 3.41Å; T148-T234 WeakPolarHBondContact O-CB 3.32Å; T148-T234 PolarHBondContact O-N 3.22Å; T148-T234 PolarHBondContact OG1-N 3.1Å; T148-T234 PolarHBondContact OG1-OG1 2.66Å; T148-C235 PolarHBondContact O-N 3.36Å
149	F	98.4	Very high	92	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.7	-179.6	-66.7	-95.6	0	0	0	109.4	M89 L93 L96 L147 F151 I165 V190 Y191 A192 T193 C235 I237	M89-F149 HydrophobicContact CE-CD1 4.05Å; M89-F149 HydrophobicContact CE-CE1 4.11Å; L93-F149 HydrophobicContact CD2-CE1 4.12Å; L93-F149 HydrophobicContact CD2-CZ 4.23Å; L96-F149 HydrophobicContact CD1-CE1 3.69Å; L96-F149 HydrophobicContact CD1-CZ 3.91Å; L147-F149 HydrophobicContact CB-CE2 4.01Å; F149-F151 HydrophobicContact CB-CE2 3.98Å; F149-F151 HydrophobicContact CB-CZ 4.32Å; F149-I165 HydrophobicContact CB-CD1 4.44Å; F149-I165 HydrophobicContact CD1-CD1 3.99Å; F149-I165 HydrophobicContact CD2-CD1 3.86Å; F149-I165 HydrophobicContact CE1-CD1 4.17Å; F149-I165 HydrophobicContact CE2-CD1 4.05Å; F149-I165 HydrophobicContact CG-CD1 3.83Å; F149-I165 HydrophobicContact CZ-CD1 4.2Å; F149-V190 HydrophobicContact CD2-CB 4.13Å; F149-V190 HydrophobicContact CD2-CG2 4.47Å; F149-V190 HydrophobicContact CE2-CB 3.89Å; F149-V190 HydrophobicContact CE2-CG1 4.01Å; F149-V190 HydrophobicContact CE2-CG2 4.38Å; F149-Y191 PolarHBondContact N-O 2.67Å; F149-A192 CarbonylContact O-C 3.39Å; F149-A192 VanDerWaalsContact O-CA 3.32Å; F149-A192 WeakPolarHBondContact O-CA 3.2Å; F149-T193 PolarHBondContact O-N 3.22Å; F149-C235 WeakPolarHBondContact CA-O 3.39Å; F149-C235 HydrophobicContact CD1-CB 3.63Å; F149-C235 HydrophobicContact CE1-CB 3.71Å; F149-C235 HydrophobicContact CG-CB 4.5Å; F149-I237 HydrophobicContact CB-CD1 4.34Å; F149-I237 HydrophobicContact CD1-CD1 3.97Å
150	C	98	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.1	179.4	-68.8	0	0	0	0	109.9	L178 T193 L195 V229 T233 C235 L236 I237	C150-L178 VanDerWaalsContact SG-CD2 3.55Å; C150-T193 HydrophobicContact CB-CG2 4.24Å; C150-T193 VanDerWaalsContact SG-CG2 3.55Å; C150-L195 HydrophobicContact CB-CD1 4.44Å; C150-V229 HydrophobicContact CB-CG1 4.37Å; C150-T233 HydrophobicContact CB-CG2 3.72Å; C150-T233 PolarHBondContact SG-OG1 3Å; C150-C235 PolarHBondContact N-O 2.81Å; C150-L236 HydrophobicContact CB-CD1 4.12Å; C150-L236 WeakPolarHBondContact O-CD1 3.43Å; C150-I237 PolarHBondContact O-N 3.01Å
151	F	97.8	Very high	92.3	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	-102.6	126.7	177	-58.7	-93.1	0	0	0	109.3	M89 F149 A161 Q162 I165 A192 T193 V194 L195 I237	M89-F151 HydrophobicContact CE-CZ 4.46Å; M89-F151 HydrophobicContact SD-CE1 4.13Å; M89-F151 HydrophobicContact SD-CZ 4.36Å; F149-F151 HydrophobicContact CB-CE2 3.98Å; F149-F151 HydrophobicContact CB-CZ 4.32Å; F151-A161 HydrophobicContact CD1-CB 3.94Å; F151-A161 HydrophobicContact CE1-CB 3.7Å; F151-Q162 HydrophobicContact CD1-CG 4.24Å; F151-Q162 HydrophobicContact CD2-CG 4.39Å; F151-Q162 HydrophobicContact CE1-CG 4.36Å; F151-Q162 HydrophobicContact CG-CG 4.27Å; F151-I165 HydrophobicContact CE2-CG2 4.11Å; F151-I165 HydrophobicContact CZ-CB 3.88Å; F151-I165 HydrophobicContact CZ-CG1 4.21Å; F151-I165 HydrophobicContact CZ-CG2 3.74Å; F151-A192 HydrophobicContact CE2-CB 3.97Å; F151-T193 PolarHBondContact N-O 3.46Å; F151-V194 HydrophobicContact CB-CG2 4.39Å; F151-L195 PolarHBondContact O-N 2.89Å; F151-I237 WeakPolarHBondContact CA-O 3.3Å; F151-I237 HydrophobicContact CD1-CB 3.67Å; F151-I237 HydrophobicContact CD1-CD1 4.29Å; F151-I237 HydrophobicContact CD1-CG1 4.06Å; F151-I237 HydrophobicContact CD1-CG2 3.85Å; F151-I237 HydrophobicContact CE1-CB 3.96Å; F151-I237 HydrophobicContact CE1-CD1 3.9Å; F151-I237 HydrophobicContact CE1-CG1 3.8Å; F151-I237 HydrophobicContact CE1-CG2 4.18Å; F151-I237 HydrophobicContact CG-CB 4.42Å; F151-I237 HydrophobicContact CZ-CD1 4.09Å; F151-I237 HydrophobicContact CZ-CG1 4.47Å
152	T	94.6	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.7	174.6	66.6	0	0	0	0	111	L195 F225 L236 I237 N238 G239 I240 L249	T152-L195 HydrophobicContact CG2-CD1 4.28Å; T152-F225 HydrophobicContact CG2-CE2 4.31Å; T152-L236 HydrophobicContact CG2-CD1 3.74Å; T152-I237 PolarHBondContact N-O 3.15Å; T152-N238 VanDerWaalsContact OG1-CA 3.26Å; T152-N238 WeakPolarHBondContact OG1-CA 3.35Å; T152-N238 PolarHBondContact OG1-OD1 3.4Å; T152-G239 PolarHBondContact OG1-N 2.85Å; T152-I240 WeakPolarHBondContact OG1-CG2 3.48Å; T152-L249 HydrophobicContact CG2-CD1 3.88Å
153	G	87.4	Confident	93.2	Very high	15 Å²	15	25.3 Å²	25.3	16%	0.155	15%	0.154	C	C	.	.			trans	83.1	159.7	-176.3	0	0	0	0	0	113.3	S158 L195	G153-S158 WeakPolarHBondContact O-CB 3.31Å; G153-S158 PolarHBondContact O-OG 3.25Å; G153-L195 WeakPolarHBondContact CA-O 3.32Å; G153-L195 PolarHBondContact N-O 2.82Å
154	T	87.5	Confident	93.8	Very high	89 Å²	89	24 Å²	24	55%	0.546	14%	0.144	S	C	.	.	S	Bend	trans	-114.6	13.5	179.6	58.7	0	0	0	0	112.4	K159 V194	T154-K159 WeakPolarHBondContact O-CE 3.42Å; T154-V194 HydrophobicContact CG2-CG1 4.2Å
155	G	86.8	Confident	94.2	Very high	40 Å²	40	23.6 Å²	23.6	41%	0.412	14%	0.142	S	C	.	.	S	Bend	trans	-82.3	-174.3	-178.5	0	0	0	0	0	113.8	V157 S158 K159	G155-V157 VanDerWaalsContact C-N 3.3Å; G155-V157 PolarHBondContact O-N 3.12Å; G155-S158 PolarHBondContact O-N 3.37Å; G155-K159 WeakPolarHBondContact O-CG 3.35Å; G155-K159 PolarHBondContact O-N 2.91Å
156	N	88.4	Confident	94.6	Very high	63 Å²	63	26.2 Å²	26.2	34%	0.337	15%	0.152	S	C	.	.	H	α-helix	trans	-59.7	-36.2	-174.9	-68.3	-14.9	0	0	0	113.4	Q82 K159 G160	Q82-N156 WeakPolarHBondContact CA-O 3.36Å; Q82-N156 HydrophobicContact CB-CB 4.3Å; N156-K159 PolarHBondContact O-N 3.42Å; N156-G160 PolarHBondContact O-N 2.84Å
157	V	91.6	Very high	94.7	Very high	28 Å²	28	27.9 Å²	27.9	17%	0.17	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-53.2	175.9	176	0	0	0	0	111.3	G81 G85 G155 K159 G160 A161 I285	G81-V157 WeakPolarHBondContact O-CA 3.2Å; G81-V157 WeakPolarHBondContact O-CG2 3.25Å; G85-V157 VanDerWaalsContact CA-O 3.27Å; G85-V157 WeakPolarHBondContact CA-O 3.33Å; G155-V157 VanDerWaalsContact C-N 3.3Å; G155-V157 PolarHBondContact O-N 3.12Å; V157-K159 VanDerWaalsContact C-N 3.32Å; V157-K159 PolarHBondContact O-N 3.3Å; V157-G160 PolarHBondContact O-N 3.01Å; V157-A161 PolarHBondContact O-N 3Å; V157-I285 HydrophobicContact CG1-CB 3.79Å; V157-I285 HydrophobicContact CG1-CD1 3.87Å; V157-I285 HydrophobicContact CG1-CG1 4.42Å; V157-I285 HydrophobicContact CG1-CG2 3.44Å; V157-I285 VanDerWaalsContact CG1-CG2 3.44Å; V157-I285 HydrophobicContact CG2-CG2 4.46Å
158	S	94.3	Very high	94.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-42	179	-178.9	0	0	0	0	111.6	G153 G155 A161 Q162	G153-S158 WeakPolarHBondContact O-CB 3.31Å; G153-S158 PolarHBondContact O-OG 3.25Å; G155-S158 PolarHBondContact O-N 3.37Å; S158-A161 PolarHBondContact O-N 2.92Å; S158-Q162 WeakPolarHBondContact O-CB 3.45Å; S158-Q162 WeakPolarHBondContact O-CG 3.39Å; S158-Q162 PolarHBondContact O-N 3.22Å; S158-Q162 PolarHBondContact O-NE2 3.33Å; S158-Q162 VanDerWaalsContact O-NE2 3.15Å; S158-Q162 PolarHBondContact OG-NE2 3.03Å
159	K	94.4	Very high	94.8	Very high	112 Å²	112	29.7 Å²	29.7	49%	0.487	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-46.4	175.9	-68.5	176.9	-177.8	178.8	0	112.5	T154 G155 N156 V157 A161 Q162 D163	T154-K159 WeakPolarHBondContact O-CE 3.42Å; G155-K159 WeakPolarHBondContact O-CG 3.35Å; G155-K159 PolarHBondContact O-N 2.91Å; N156-K159 PolarHBondContact O-N 3.42Å; V157-K159 VanDerWaalsContact C-N 3.32Å; V157-K159 PolarHBondContact O-N 3.3Å; K159-A161 VanDerWaalsContact C-N 3.31Å; K159-A161 PolarHBondContact O-N 3.2Å; K159-Q162 CarbonylContact O-C 3.21Å; K159-Q162 WeakPolarHBondContact O-CA 3.32Å; K159-Q162 WeakPolarHBondContact O-CB 3.18Å; K159-Q162 PolarHBondContact O-N 3.43Å; K159-Q162 VanDerWaalsContact O-N 3.1Å; K159-D163 VanDerWaalsContact O-CG 3.32Å; K159-D163 PolarHBondContact O-N 2.83Å
160	G	94.6	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-35.5	177.8	0	0	0	0	0	113.1	V86 N156 V157 D163	V86-G160 VanDerWaalsContact CG2-O 3.29Å; V86-G160 WeakPolarHBondContact CG2-O 3.38Å; N156-G160 PolarHBondContact O-N 2.84Å; V157-G160 PolarHBondContact O-N 3.01Å; G160-D163 PolarHBondContact O-N 2.86Å
161	A	97.1	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.5	-37.1	172.6	0	0	0	0	0	111.9	G85 M89 F151 V157 S158 K159 M164 I165 I237	G85-A161 WeakPolarHBondContact O-CA 3.21Å; M89-A161 HydrophobicContact CB-CB 4Å; M89-A161 HydrophobicContact CG-CB 4.49Å; M89-A161 WeakPolarHBondContact CG-O 3.49Å; F151-A161 HydrophobicContact CD1-CB 3.94Å; F151-A161 HydrophobicContact CE1-CB 3.7Å; V157-A161 PolarHBondContact O-N 3Å; S158-A161 PolarHBondContact O-N 2.92Å; K159-A161 VanDerWaalsContact C-N 3.31Å; K159-A161 PolarHBondContact O-N 3.2Å; A161-M164 PolarHBondContact O-N 2.92Å; A161-I165 PolarHBondContact O-N 3.12Å; A161-I165 VanDerWaalsContact O-N 3.13Å; A161-I237 HydrophobicContact CB-CG2 3.86Å
162	Q	97.4	Very high	94.7	Very high	36 Å²	36	39.5 Å²	39.5	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-37.2	173.9	-73.3	166.5	60.7	0	0	112.3	F151 S158 K159 M164 I165 N166 V194	F151-Q162 HydrophobicContact CD1-CG 4.24Å; F151-Q162 HydrophobicContact CD2-CG 4.39Å; F151-Q162 HydrophobicContact CE1-CG 4.36Å; F151-Q162 HydrophobicContact CG-CG 4.27Å; S158-Q162 WeakPolarHBondContact O-CB 3.45Å; S158-Q162 WeakPolarHBondContact O-CG 3.39Å; S158-Q162 PolarHBondContact O-N 3.22Å; S158-Q162 PolarHBondContact O-NE2 3.33Å; S158-Q162 VanDerWaalsContact O-NE2 3.15Å; S158-Q162 PolarHBondContact OG-NE2 3.03Å; K159-Q162 CarbonylContact O-C 3.21Å; K159-Q162 WeakPolarHBondContact O-CA 3.32Å; K159-Q162 WeakPolarHBondContact O-CB 3.18Å; K159-Q162 PolarHBondContact O-N 3.43Å; K159-Q162 VanDerWaalsContact O-N 3.1Å; Q162-M164 PolarHBondContact O-N 2.83Å; Q162-M164 VanDerWaalsContact O-N 3.1Å; Q162-I165 WeakPolarHBondContact O-CG2 3.42Å; Q162-I165 PolarHBondContact O-N 3.31Å; Q162-N166 VanDerWaalsContact O-CB 3.31Å; Q162-N166 WeakPolarHBondContact O-CB 3.48Å; Q162-N166 PolarHBondContact O-N 3.33Å; Q162-N166 PolarHBondContact O-ND2 2.79Å; Q162-N166 PolarHBondContact O-OD1 2.76Å; Q162-V194 HydrophobicContact CG-CG2 4.46Å
163	D	96.4	Very high	94.9	Very high	69 Å²	69	40.1 Å²	40.1	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-54	-33.6	175.3	-66.6	-24.1	0	0	0	111.2	Q82 K159 G160	Q82-D163 PolarHBondContact NE2-OD2 2.98Å; K159-D163 VanDerWaalsContact O-CG 3.32Å; K159-D163 PolarHBondContact O-N 2.83Å; G160-D163 PolarHBondContact O-N 2.86Å
164	M	97.2	Very high	95.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-84.4	-41.3	176.7	-64.1	-54.9	-50.2	0	0	114	V86 M89 I90 I125 V128 A161 Q162 N166 E167	V86-M164 HydrophobicContact CB-CG 4.33Å; V86-M164 HydrophobicContact CG1-CG 3.85Å; V86-M164 HydrophobicContact CG1-SD 3.82Å; M89-M164 HydrophobicContact CB-CB 3.9Å; M89-M164 HydrophobicContact CB-CG 4.29Å; M89-M164 HydrophobicContact CG-CB 3.65Å; I90-M164 HydrophobicContact CD1-CE 4.18Å; I90-M164 HydrophobicContact CD1-SD 4.27Å; I90-M164 HydrophobicContact CG1-CE 3.74Å; I90-M164 HydrophobicContact CG1-CG 4.19Å; I90-M164 HydrophobicContact CG1-SD 4.24Å; I125-M164 HydrophobicContact CG1-CE 4.02Å; I125-M164 HydrophobicContact CG1-SD 3.86Å; V128-M164 HydrophobicContact CB-CE 4.09Å; V128-M164 HydrophobicContact CG2-CE 3.54Å; A161-M164 PolarHBondContact O-N 2.92Å; Q162-M164 PolarHBondContact O-N 2.83Å; Q162-M164 VanDerWaalsContact O-N 3.1Å; M164-N166 PolarHBondContact O-N 3.3Å; M164-E167 WeakPolarHBondContact O-CB 3.41Å; M164-E167 PolarHBondContact O-N 3.15Å
165	I	97.3	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-29.4	177.5	-161.6	73.4	0	0	0	111.7	M89 F149 F151 A161 Q162 E167 L168 V170 Y172 V190	M89-I165 HydrophobicContact CE-CB 3.91Å; M89-I165 HydrophobicContact CE-CD1 3.25Å; M89-I165 HydrophobicContact CE-CG1 4.08Å; F149-I165 HydrophobicContact CB-CD1 4.44Å; F149-I165 HydrophobicContact CD1-CD1 3.99Å; F149-I165 HydrophobicContact CD2-CD1 3.86Å; F149-I165 HydrophobicContact CE1-CD1 4.17Å; F149-I165 HydrophobicContact CE2-CD1 4.05Å; F149-I165 HydrophobicContact CG-CD1 3.83Å; F149-I165 HydrophobicContact CZ-CD1 4.2Å; F151-I165 HydrophobicContact CE2-CG2 4.11Å; F151-I165 HydrophobicContact CZ-CB 3.88Å; F151-I165 HydrophobicContact CZ-CG1 4.21Å; F151-I165 HydrophobicContact CZ-CG2 3.74Å; A161-I165 PolarHBondContact O-N 3.12Å; A161-I165 VanDerWaalsContact O-N 3.13Å; Q162-I165 WeakPolarHBondContact O-CG2 3.42Å; Q162-I165 PolarHBondContact O-N 3.31Å; I165-E167 PolarHBondContact O-N 3.2Å; I165-E167 VanDerWaalsContact O-N 3.14Å; I165-L168 HydrophobicContact CD1-CD1 3.75Å; I165-L168 WeakPolarHBondContact O-CB 3.46Å; I165-L168 PolarHBondContact O-N 3.05Å; I165-V170 HydrophobicContact CG1-CG2 4.19Å; I165-Y172 WeakPolarHBondContact CG2-OH 3.23Å; I165-V190 HydrophobicContact CD1-CG2 4.25Å; I165-V190 HydrophobicContact CG1-CG2 4.49Å
166	N	97.6	Very high	95.8	Very high	75 Å²	75	45.7 Å²	45.7	40%	0.401	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.1	178.4	-70.9	-18.8	0	0	0	113.4	Q162 M164 L168 Y172	Q162-N166 VanDerWaalsContact O-CB 3.31Å; Q162-N166 WeakPolarHBondContact O-CB 3.48Å; Q162-N166 PolarHBondContact O-N 3.33Å; Q162-N166 PolarHBondContact O-ND2 2.79Å; Q162-N166 PolarHBondContact O-OD1 2.76Å; M164-N166 PolarHBondContact O-N 3.3Å; N166-L168 VanDerWaalsContact C-N 3.31Å; N166-Y172 WeakPolarHBondContact OD1-CE2 3.44Å; N166-Y172 PolarHBondContact OD1-OH 3.08Å
167	E	97.8	Very high	96.1	Very high	47 Å²	47	46.4 Å²	46.4	22%	0.22	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.4	175.3	-57.3	-63.3	-178	0	0	112.8	I125 V128 R129 M164 I165	I125-E167 HydrophobicContact CG2-CG 4.01Å; V128-E167 HydrophobicContact CB-CB 4.29Å; V128-E167 HydrophobicContact CG1-CB 3.85Å; R129-E167 HydrophobicContact CG-CB 3.93Å; R129-E167 HydrophobicContact CG-CG 4.45Å; R129-E167 WeakPolarHBondContact CG-OE2 3.36Å; R129-E167 IonicContact CZ-OE1 2.81Å; R129-E167 IonicContact CZ-OE2 3.05Å; R129-E167 VanDerWaalsContact CZ-OE2 3.27Å; R129-E167 IonicContact NE-OE1 3.66Å; R129-E167 IonicContact NE-OE2 3.27Å; R129-E167 PolarHBondContact NE-OE2 3.11Å; R129-E167 VanDerWaalsContact NH2-CD 3.29Å; R129-E167 IonicContact NH2-OE1 3.81Å; R129-E167 PolarHBondContact NH2-OE1 3.11Å; R129-E167 IonicContact NH2-OE2 3.76Å; R129-E167 PolarHBondContact NH2-OE2 3.31Å; M164-E167 WeakPolarHBondContact O-CB 3.41Å; M164-E167 PolarHBondContact O-N 3.15Å; I165-E167 PolarHBondContact O-N 3.2Å; I165-E167 VanDerWaalsContact O-N 3.14Å
168	L	97.7	Very high	96.2	Very high	8 Å²	8	45 Å²	45	4%	0.042	22%	0.218	C	C	.	.	S	Bend	trans	-90.5	162.4	166.1	-59.6	-177.2	0	0	0	110.4	L93 F109 V128 C131 I135 I165 N166 V170 V190	L93-L168 HydrophobicContact CD2-CD1 4.2Å; F109-L168 HydrophobicContact CE1-CD1 4.02Å; V128-L168 HydrophobicContact CG1-CD2 3.64Å; V128-L168 HydrophobicContact CG1-CG 3.88Å; V128-L168 WeakPolarHBondContact O-CD2 3.42Å; C131-L168 HydrophobicContact CB-CD2 4.4Å; I135-L168 HydrophobicContact CD1-CD2 4.32Å; I165-L168 HydrophobicContact CD1-CD1 3.75Å; I165-L168 WeakPolarHBondContact O-CB 3.46Å; I165-L168 PolarHBondContact O-N 3.05Å; N166-L168 VanDerWaalsContact C-N 3.31Å; L168-V170 PolarHBondContact O-N 3.43Å; L168-V190 HydrophobicContact CB-CG2 3.99Å; L168-V190 HydrophobicContact CD1-CG2 4.19Å
169	P	97.4	Very high	96.2	Very high	37 Å²	37	49.1 Å²	49.1	24%	0.24	24%	0.235	C	C	.	.	S	Bend	trans	-66.7	84.3	167.2	28.7	-35.6	0	0	0	109.1	G132 I135 K189 V190	G132-P169 VanDerWaalsContact O-CD 3.26Å; G132-P169 WeakPolarHBondContact O-CD 3.28Å; G132-P169 WeakPolarHBondContact O-CG 3.34Å; I135-P169 HydrophobicContact CB-CG 4Å; I135-P169 HydrophobicContact CG2-CG 3.74Å; P169-K189 HydrophobicContact CB-CB 4.32Å; P169-K189 CarbonylContact O-C 3.43Å; P169-K189 WeakPolarHBondContact O-CA 3.42Å; P169-K189 WeakPolarHBondContact O-CB 3.21Å; P169-V190 PolarHBondContact O-N 3.32Å
170	V	97.8	Very high	96.2	Very high	37 Å²	37	48.3 Å²	48.3	22%	0.224	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140	-173.9	64.4	0	0	0	0	112.1	I165 L168 Y172 V190 A192	I165-V170 HydrophobicContact CG1-CG2 4.19Å; L168-V170 PolarHBondContact O-N 3.43Å; V170-Y172 HydrophobicContact CG1-CD2 4.47Å; V170-Y172 HydrophobicContact CG1-CE2 3.96Å; V170-Y172 HydrophobicContact CG2-CD2 4.37Å; V170-Y172 HydrophobicContact CG2-CE2 4.17Å; V170-V190 CarbonylContact C-O 3.53Å; V170-V190 VanDerWaalsContact CA-O 3.29Å; V170-V190 WeakPolarHBondContact CA-O 3.49Å; V170-V190 HydrophobicContact CB-CG2 3.88Å; V170-V190 HydrophobicContact CG2-CG2 4.04Å; V170-A192 HydrophobicContact CG2-CB 3.53Å
171	E	98.2	Very high	96.3	Very high	75 Å²	75	49.2 Å²	49.2	35%	0.35	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.1	168.4	-172.6	174.6	140.1	0	0	109.4	K189 V190 Y191 A192	E171-K189 HydrophobicContact CB-CD 3.97Å; E171-K189 VanDerWaalsContact OE2-CD 3.24Å; E171-K189 WeakPolarHBondContact OE2-CD 3.33Å; E171-K189 IonicContact OE2-NZ 2.88Å; E171-K189 PolarHBondContact OE2-NZ 3.34Å; E171-V190 PolarHBondContact N-O 2.86Å; E171-Y191 HydrophobicContact CB-CD1 4.02Å; E171-Y191 HydrophobicContact CB-CE1 4.08Å; E171-Y191 HydrophobicContact CG-CD1 4.39Å; E171-Y191 HydrophobicContact CG-CE1 4.25Å; E171-Y191 CarbonylContact O-C 3.57Å; E171-Y191 WeakPolarHBondContact O-CA 3.15Å; E171-A192 PolarHBondContact O-N 3.15Å
172	Y	98	Very high	96.1	Very high	94 Å²	94	49.8 Å²	49.8	37%	0.369	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.7	175.9	-77.7	-92.8	0	0	0	110.5	I165 N166 V170 A192 V194	I165-Y172 WeakPolarHBondContact CG2-OH 3.23Å; N166-Y172 WeakPolarHBondContact OD1-CE2 3.44Å; N166-Y172 PolarHBondContact OD1-OH 3.08Å; V170-Y172 HydrophobicContact CG1-CD2 4.47Å; V170-Y172 HydrophobicContact CG1-CE2 3.96Å; V170-Y172 HydrophobicContact CG2-CD2 4.37Å; V170-Y172 HydrophobicContact CG2-CE2 4.17Å; Y172-A192 CarbonylContact C-O 3.57Å; Y172-A192 VanDerWaalsContact CA-O 3.29Å; Y172-A192 WeakPolarHBondContact CA-O 3.4Å; Y172-A192 HydrophobicContact CD1-CB 3.84Å; Y172-A192 HydrophobicContact CE1-CB 3.73Å; Y172-A192 HydrophobicContact CG-CB 4.35Å; Y172-V194 HydrophobicContact CD1-CG2 4.46Å; Y172-V194 HydrophobicContact CE1-CG2 4.11Å
173	V	97.3	Very high	95.7	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	27%	0.265	C	S	.	.			trans	-127.3	153.1	-179.8	-60.8	0	0	0	0	111.2	E177 L178 V181 Y191 A192 T193	V173-E177 HydrophobicContact CB-CB 4.17Å; V173-L178 HydrophobicContact CG2-CD1 4.29Å; V173-V181 HydrophobicContact CG1-CG1 4.1Å; V173-V181 HydrophobicContact CG2-CG2 4.12Å; V173-Y191 HydrophobicContact CG1-CD1 3.83Å; V173-Y191 HydrophobicContact CG1-CE1 4.44Å; V173-A192 PolarHBondContact N-O 3.24Å; V173-T193 VanDerWaalsContact O-CB 3.29Å; V173-T193 WeakPolarHBondContact O-CB 3.24Å; V173-T193 PolarHBondContact O-OG1 2.74Å
174	E	95.8	Very high	95.5	Very high	101 Å²	101	56 Å²	56	47%	0.472	28%	0.281	S	S	.	.			trans	-70.7	151.7	173.6	-72.1	-65.1	150.9	0	0	110.8	H176 E177	E174-H176 WeakPolarHBondContact CB-CE1 3.47Å; E174-H176 WeakPolarHBondContact CB-ND1 3.46Å; E174-H176 PolarHBondContact O-N 3.29Å; E174-E177 HydrophobicContact CB-CG 4.32Å; E174-E177 WeakPolarHBondContact CB-OE2 3.34Å; E174-E177 PolarHBondContact N-OE2 3.11Å; E174-E177 WeakPolarHBondContact O-CB 3.17Å; E174-E177 PolarHBondContact O-N 3.06Å
175	P	92.5	Very high	95.2	Very high	16 Å²	16	56.5 Å²	56.5	10%	0.104	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27	-174.7	-28.9	36.6	0	0	0	115.1	L178 L195 H199	P175-L178 WeakPolarHBondContact O-CB 3.43Å; P175-L195 HydrophobicContact CB-CD2 3.72Å; P175-L195 HydrophobicContact CG-CD2 3.56Å; P175-H199 HydrophobicContact CG-CB 4.14Å
176	H	92.3	Very high	95	Very high	144 Å²	144	60 Å²	60	67%	0.667	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.4	179	66	-85.8	0	0	0	113.2	E174 L178	E174-H176 WeakPolarHBondContact CB-CE1 3.47Å; E174-H176 WeakPolarHBondContact CB-ND1 3.46Å; E174-H176 PolarHBondContact O-N 3.29Å; H176-L178 VanDerWaalsContact C-N 3.32Å
177	E	95.1	Very high	94.6	Very high	78 Å²	78	59.1 Å²	59.1	36%	0.364	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.3	177.7	-58.2	177	118.6	0	0	111.9	V173 E174 K179 D180 V181	V173-E177 HydrophobicContact CB-CB 4.17Å; E174-E177 HydrophobicContact CB-CG 4.32Å; E174-E177 WeakPolarHBondContact CB-OE2 3.34Å; E174-E177 PolarHBondContact N-OE2 3.11Å; E174-E177 WeakPolarHBondContact O-CB 3.17Å; E174-E177 PolarHBondContact O-N 3.06Å; E177-K179 PolarHBondContact O-N 3.42Å; E177-K179 VanDerWaalsContact O-N 3.15Å; E177-D180 PolarHBondContact O-N 2.83Å; E177-V181 PolarHBondContact O-N 3.18Å; E177-V181 VanDerWaalsContact O-N 3.13Å
178	L	94.7	Very high	94.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-55	-37.6	-175.4	-159.7	78.6	0	0	0	112.3	T148 C150 V173 P175 H176 V181 S182 T193 V229	T148-L178 HydrophobicContact CG2-CD1 4.33Å; C150-L178 VanDerWaalsContact SG-CD2 3.55Å; V173-L178 HydrophobicContact CG2-CD1 4.29Å; P175-L178 WeakPolarHBondContact O-CB 3.43Å; H176-L178 VanDerWaalsContact C-N 3.32Å; L178-V181 WeakPolarHBondContact O-CG2 3.37Å; L178-S182 WeakPolarHBondContact O-CB 3.34Å; L178-S182 PolarHBondContact O-N 3.22Å; L178-S182 PolarHBondContact O-OG 3.12Å; L178-T193 HydrophobicContact CD1-CG2 3.76Å; L178-V229 HydrophobicContact CD2-CB 4.48Å; L178-V229 HydrophobicContact CD2-CG1 3.63Å
179	K	94.3	Very high	94.5	Very high	87 Å²	87	62.6 Å²	62.6	38%	0.378	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-53.6	175.8	178.5	177.6	-176.1	-166	0	111.4	E177 V181 S182 E183 Y232	E177-K179 PolarHBondContact O-N 3.42Å; E177-K179 VanDerWaalsContact O-N 3.15Å; K179-V181 PolarHBondContact O-N 2.63Å; K179-S182 PolarHBondContact O-N 3.35Å; K179-S182 VanDerWaalsContact O-N 3.16Å; K179-S182 PolarHBondContact O-OG 2.98Å; K179-E183 VanDerWaalsContact CE-OE1 3.29Å; K179-E183 WeakPolarHBondContact CE-OE1 3.43Å; K179-E183 PolarHBondContact O-N 2.8Å; K179-Y232 HydrophobicContact CB-CD1 3.99Å; K179-Y232 HydrophobicContact CB-CD2 4.08Å; K179-Y232 HydrophobicContact CB-CE1 3.92Å; K179-Y232 HydrophobicContact CB-CE2 4Å; K179-Y232 HydrophobicContact CB-CG 4.07Å; K179-Y232 HydrophobicContact CD-CE1 3.94Å; K179-Y232 HydrophobicContact CD-CE2 4.49Å; K179-Y232 HydrophobicContact CG-CD1 3.93Å; K179-Y232 HydrophobicContact CG-CE1 3.5Å; K179-Y232 HydrophobicContact CG-CE2 4.33Å
180	D	94.6	Very high	94.5	Very high	96 Å²	96	60.9 Å²	60.9	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-41.7	-173.1	-61.3	-24	0	0	0	111.4	E177 E183 T184	E177-D180 PolarHBondContact O-N 2.83Å; D180-E183 PolarHBondContact O-N 3.49Å; D180-T184 PolarHBondContact O-N 3.37Å; D180-T184 PolarHBondContact O-OG1 2.85Å
181	V	95.1	Very high	94.5	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-72.7	-29	176.2	-58.6	0	0	0	0	112.8	P146 T148 V173 E177 L178 K179 E183 G185 Y191	P146-V181 VanDerWaalsContact CB-O 3.24Å; P146-V181 WeakPolarHBondContact CB-O 3.19Å; T148-V181 HydrophobicContact CG2-CG2 4.16Å; V173-V181 HydrophobicContact CG1-CG1 4.1Å; V173-V181 HydrophobicContact CG2-CG2 4.12Å; E177-V181 PolarHBondContact O-N 3.18Å; E177-V181 VanDerWaalsContact O-N 3.13Å; L178-V181 WeakPolarHBondContact O-CG2 3.37Å; K179-V181 PolarHBondContact O-N 2.63Å; V181-E183 PolarHBondContact O-N 3.14Å; V181-G185 VanDerWaalsContact O-CA 3.3Å; V181-G185 WeakPolarHBondContact O-CA 3.42Å; V181-G185 PolarHBondContact O-N 2.83Å; V181-Y191 HydrophobicContact CB-CD1 3.76Å; V181-Y191 HydrophobicContact CB-CD2 4.17Å; V181-Y191 HydrophobicContact CB-CE1 3.87Å; V181-Y191 HydrophobicContact CB-CE2 4.3Å; V181-Y191 HydrophobicContact CB-CG 3.9Å; V181-Y191 HydrophobicContact CG1-CD1 3.82Å; V181-Y191 HydrophobicContact CG1-CE1 3.69Å; V181-Y191 HydrophobicContact CG1-CG 4.46Å; V181-Y191 HydrophobicContact CG2-CD1 4Å; V181-Y191 HydrophobicContact CG2-CD2 4.47Å; V181-Y191 HydrophobicContact CG2-CG 3.91Å
182	S	93.4	Very high	94.5	Very high	11 Å²	11	56.1 Å²	56.1	8%	0.077	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-25.2	176.8	78.9	0	0	0	0	113.4	L178 K179 K278	L178-S182 WeakPolarHBondContact O-CB 3.34Å; L178-S182 PolarHBondContact O-N 3.22Å; L178-S182 PolarHBondContact O-OG 3.12Å; K179-S182 PolarHBondContact O-N 3.35Å; K179-S182 VanDerWaalsContact O-N 3.16Å; K179-S182 PolarHBondContact O-OG 2.98Å; S182-K278 PolarHBondContact O-NZ 3.49Å
183	E	89.8	Confident	94.5	Very high	120 Å²	120	51.7 Å²	51.7	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-98.5	-41.2	-178	-67.5	176.9	-174.3	0	0	112.1	K179 D180 V181	K179-E183 VanDerWaalsContact CE-OE1 3.29Å; K179-E183 WeakPolarHBondContact CE-OE1 3.43Å; K179-E183 PolarHBondContact O-N 2.8Å; D180-E183 PolarHBondContact O-N 3.49Å; V181-E183 PolarHBondContact O-N 3.14Å
184	T	90.9	Very high	94.4	Very high	115 Å²	115	52.8 Å²	52.8	71%	0.706	27%	0.27	S	S	*	.	H	α-helix	trans	-125.9	7.2	-170.8	65	0	0	0	0	115.7	D180	D180-T184 PolarHBondContact O-N 3.37Å; D180-T184 PolarHBondContact O-OG1 2.85Å
185	G	92.1	Very high	94.4	Very high	14 Å²	14	48 Å²	48	14%	0.144	25%	0.248	C	C	.	.			trans	-60	160.4	-179.9	0	0	0	0	0	114.4	P146 V181 Y191	P146-G185 VanDerWaalsContact CG-O 3.29Å; P146-G185 WeakPolarHBondContact CG-O 3.49Å; V181-G185 VanDerWaalsContact O-CA 3.3Å; V181-G185 WeakPolarHBondContact O-CA 3.42Å; V181-G185 PolarHBondContact O-N 2.83Å; G185-Y191 WeakPolarHBondContact CA-OH 3.38Å
186	D	92.8	Very high	94.3	Very high	72 Å²	72	48.3 Å²	48.3	39%	0.385	25%	0.251	S	S	.	.			trans	-73.4	138.5	171.8	-173.3	-7.4	0	0	0	110	N188 K189 Y191	D186-N188 WeakPolarHBondContact OD1-CB 3.47Å; D186-N188 PolarHBondContact OD1-N 3.2Å; D186-K189 HydrophobicContact CB-CD 4.29Å; D186-K189 HydrophobicContact CB-CG 4.11Å; D186-Y191 PolarHBondContact N-OH 3.44Å
187	M	90.2	Very high	94.2	Very high	57 Å²	57	46.2 Å²	46.2	28%	0.281	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.4	-179.6	-64.6	-176.7	-65.6	0	0	113.1	R142 K189	R142-M187 HydrophobicContact CB-CE 4.09Å; R142-M187 HydrophobicContact CB-SD 4.41Å; R142-M187 HydrophobicContact CG-CE 3.77Å; M187-K189 PolarHBondContact O-N 2.9Å
188	N	95.1	Very high	94	Very high	69 Å²	69	50.5 Å²	50.5	37%	0.369	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	7.3	173.7	-61.8	-15.3	0	0	0	112.5	I135 S136 G138 D186	I135-N188 WeakPolarHBondContact O-CA 3.44Å; S136-N188 WeakPolarHBondContact CA-O 3.38Å; G138-N188 WeakPolarHBondContact CA-OD1 3.31Å; D186-N188 WeakPolarHBondContact OD1-CB 3.47Å; D186-N188 PolarHBondContact OD1-N 3.2Å
189	K	96.3	Very high	93.8	Very high	59 Å²	59	52.8 Å²	52.8	26%	0.257	26%	0.26	S	S	.	.	S	Bend	trans	-148.7	169.5	179.8	68.9	179.1	82.2	-178.1	0	110.5	P169 E171 D186 M187 Y191	P169-K189 HydrophobicContact CB-CB 4.32Å; P169-K189 CarbonylContact O-C 3.43Å; P169-K189 WeakPolarHBondContact O-CA 3.42Å; P169-K189 WeakPolarHBondContact O-CB 3.21Å; E171-K189 HydrophobicContact CB-CD 3.97Å; E171-K189 VanDerWaalsContact OE2-CD 3.24Å; E171-K189 WeakPolarHBondContact OE2-CD 3.33Å; E171-K189 IonicContact OE2-NZ 2.88Å; E171-K189 PolarHBondContact OE2-NZ 3.34Å; D186-K189 HydrophobicContact CB-CD 4.29Å; D186-K189 HydrophobicContact CB-CG 4.11Å; M187-K189 PolarHBondContact O-N 2.9Å; K189-Y191 HydrophobicContact CD-CE1 4.28Å; K189-Y191 HydrophobicContact CD-CE2 4.5Å; K189-Y191 HydrophobicContact CG-CE2 4.13Å
190	V	97.7	Very high	93.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	151.5	171.4	-58.6	0	0	0	0	109.8	I135 L147 F149 I165 L168 P169 V170 E171	I135-V190 HydrophobicContact CD1-CG1 4.4Å; L147-V190 HydrophobicContact CB-CG1 4.21Å; L147-V190 HydrophobicContact CD1-CG1 4.41Å; F149-V190 HydrophobicContact CD2-CB 4.13Å; F149-V190 HydrophobicContact CD2-CG2 4.47Å; F149-V190 HydrophobicContact CE2-CB 3.89Å; F149-V190 HydrophobicContact CE2-CG1 4.01Å; F149-V190 HydrophobicContact CE2-CG2 4.38Å; I165-V190 HydrophobicContact CD1-CG2 4.25Å; I165-V190 HydrophobicContact CG1-CG2 4.49Å; L168-V190 HydrophobicContact CB-CG2 3.99Å; L168-V190 HydrophobicContact CD1-CG2 4.19Å; P169-V190 PolarHBondContact O-N 3.32Å; V170-V190 CarbonylContact C-O 3.53Å; V170-V190 VanDerWaalsContact CA-O 3.29Å; V170-V190 WeakPolarHBondContact CA-O 3.49Å; V170-V190 HydrophobicContact CB-CG2 3.88Å; V170-V190 HydrophobicContact CG2-CG2 4.04Å; E171-V190 PolarHBondContact N-O 2.86Å
191	Y	98.5	Very high	93.6	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.8	179	-66.1	-86.8	0	0	0	110.3	P146 L147 T148 F149 E171 V173 V181 G185 D186 K189	P146-Y191 HydrophobicContact CB-CD2 4.41Å; P146-Y191 HydrophobicContact CB-CE2 4.31Å; L147-Y191 PolarHBondContact O-N 2.97Å; T148-Y191 CarbonylContact C-O 3.33Å; T148-Y191 WeakPolarHBondContact CA-O 3.38Å; F149-Y191 PolarHBondContact N-O 2.67Å; E171-Y191 HydrophobicContact CB-CD1 4.02Å; E171-Y191 HydrophobicContact CB-CE1 4.08Å; E171-Y191 HydrophobicContact CG-CD1 4.39Å; E171-Y191 HydrophobicContact CG-CE1 4.25Å; E171-Y191 CarbonylContact O-C 3.57Å; E171-Y191 WeakPolarHBondContact O-CA 3.15Å; V173-Y191 HydrophobicContact CG1-CD1 3.83Å; V173-Y191 HydrophobicContact CG1-CE1 4.44Å; V181-Y191 HydrophobicContact CB-CD1 3.76Å; V181-Y191 HydrophobicContact CB-CD2 4.17Å; V181-Y191 HydrophobicContact CB-CE1 3.87Å; V181-Y191 HydrophobicContact CB-CE2 4.3Å; V181-Y191 HydrophobicContact CB-CG 3.9Å; V181-Y191 HydrophobicContact CG1-CD1 3.82Å; V181-Y191 HydrophobicContact CG1-CE1 3.69Å; V181-Y191 HydrophobicContact CG1-CG 4.46Å; V181-Y191 HydrophobicContact CG2-CD1 4Å; V181-Y191 HydrophobicContact CG2-CD2 4.47Å; V181-Y191 HydrophobicContact CG2-CG 3.91Å; G185-Y191 WeakPolarHBondContact CA-OH 3.38Å; D186-Y191 PolarHBondContact N-OH 3.44Å; K189-Y191 HydrophobicContact CD-CE1 4.28Å; K189-Y191 HydrophobicContact CD-CE2 4.5Å; K189-Y191 HydrophobicContact CG-CE2 4.13Å
192	A	98.1	Very high	93.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.1	178.5	0	0	0	0	0	111.5	F149 F151 V170 E171 Y172 V173	F149-A192 CarbonylContact O-C 3.39Å; F149-A192 VanDerWaalsContact O-CA 3.32Å; F149-A192 WeakPolarHBondContact O-CA 3.2Å; F151-A192 HydrophobicContact CE2-CB 3.97Å; V170-A192 HydrophobicContact CG2-CB 3.53Å; E171-A192 PolarHBondContact O-N 3.15Å; Y172-A192 CarbonylContact C-O 3.57Å; Y172-A192 VanDerWaalsContact CA-O 3.29Å; Y172-A192 WeakPolarHBondContact CA-O 3.4Å; Y172-A192 HydrophobicContact CD1-CB 3.84Å; Y172-A192 HydrophobicContact CE1-CB 3.73Å; Y172-A192 HydrophobicContact CG-CB 4.35Å; V173-A192 PolarHBondContact N-O 3.24Å
193	T	97.5	Very high	93.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.7	169.4	-162.6	0	0	0	0	111.4	F149 C150 F151 V173 L178 L195	F149-T193 PolarHBondContact O-N 3.22Å; C150-T193 HydrophobicContact CB-CG2 4.24Å; C150-T193 VanDerWaalsContact SG-CG2 3.55Å; F151-T193 PolarHBondContact N-O 3.46Å; V173-T193 VanDerWaalsContact O-CB 3.29Å; V173-T193 WeakPolarHBondContact O-CB 3.24Å; V173-T193 PolarHBondContact O-OG1 2.74Å; L178-T193 HydrophobicContact CD1-CG2 3.76Å; T193-L195 HydrophobicContact CG2-CD2 4.47Å; T193-L195 HydrophobicContact CG2-CG 4.45Å
194	V	96.8	Very high	93.7	Very high	35 Å²	35	47.8 Å²	47.8	21%	0.212	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.3	179.5	-175.3	0	0	0	0	109.9	F151 T154 Q162 Y172 H199	F151-V194 HydrophobicContact CB-CG2 4.39Å; T154-V194 HydrophobicContact CG2-CG1 4.2Å; Q162-V194 HydrophobicContact CG-CG2 4.46Å; Y172-V194 HydrophobicContact CD1-CG2 4.46Å; Y172-V194 HydrophobicContact CE1-CG2 4.11Å; V194-H199 PolarHBondContact O-ND1 3Å
195	L	94.4	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.4	-175.7	-60.6	168.6	0	0	0	110.2	C150 F151 T152 G153 P175 T193 H199 F225 V229	C150-L195 HydrophobicContact CB-CD1 4.44Å; F151-L195 PolarHBondContact O-N 2.89Å; T152-L195 HydrophobicContact CG2-CD1 4.28Å; G153-L195 WeakPolarHBondContact CA-O 3.32Å; G153-L195 PolarHBondContact N-O 2.82Å; P175-L195 HydrophobicContact CB-CD2 3.72Å; P175-L195 HydrophobicContact CG-CD2 3.56Å; T193-L195 HydrophobicContact CG2-CD2 4.47Å; T193-L195 HydrophobicContact CG2-CG 4.45Å; L195-H199 HydrophobicContact CD2-CB 3.82Å; L195-F225 HydrophobicContact CD1-CD2 3.81Å; L195-F225 HydrophobicContact CD1-CE2 3.5Å; L195-F225 VanDerWaalsContact CD1-CE2 3.5Å; L195-V229 HydrophobicContact CD1-CB 4.42Å; L195-V229 HydrophobicContact CD1-CG1 3.72Å; L195-V229 HydrophobicContact CD1-CG2 4.23Å; L195-V229 HydrophobicContact CD2-CG2 4.07Å
196	S	91.2	Very high	93.7	Very high	24 Å²	24	50 Å²	50	17%	0.168	24%	0.242	C	C	.	.			trans	-90.8	168.4	163.4	69.4	0	0	0	0	110.1	R198 H199 H200	S196-R198 PolarHBondContact O-N 3.43Å; S196-R198 VanDerWaalsContact O-N 3.11Å; S196-R198 WeakPolarHBondContact OG-CG 3.39Å; S196-H199 PolarHBondContact N-ND1 3.34Å; S196-H199 VanDerWaalsContact N-ND1 3.17Å; S196-H199 WeakPolarHBondContact O-CB 3.29Å; S196-H199 PolarHBondContact O-N 3.2Å; S196-H200 PolarHBondContact O-CD2 2.68Å
197	R	89.4	Confident	93.4	Very high	100 Å²	100	48.5 Å²	48.5	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-48.6	-41.9	-179.2	-72.8	-177	-176.9	178.8	-0.8	112.8	H199 H200 L201 Y209 E215	R197-H199 PolarHBondContact O-N 3.3Å; R197-H200 PolarHBondContact O-N 2.85Å; R197-L201 HydrophobicContact CB-CD1 3.95Å; R197-L201 HydrophobicContact CG-CD1 4.08Å; R197-L201 VanDerWaalsContact O-CB 3.3Å; R197-L201 WeakPolarHBondContact O-CB 3.31Å; R197-L201 PolarHBondContact O-N 2.8Å; R197-Y209 HydrophobicContact CB-CE1 4.22Å; R197-Y209 HydrophobicContact CB-CE2 4.07Å; R197-Y209 WeakPolarHBondContact CB-OH 3.46Å; R197-Y209 WeakPolarHBondContact CD-OH 3.33Å; R197-E215 IonicContact CZ-OE2 2.82Å; R197-E215 IonicContact NH1-OE2 2.78Å; R197-E215 PolarHBondContact NH1-OE2 3Å; R197-E215 IonicContact NH2-OE2 2.77Å
198	R	90.3	Very high	93.5	Very high	167 Å²	167	50.3 Å²	50.3	63%	0.63	26%	0.255	S	S	*	.	H	α-helix	trans	-63.6	-21.4	-179.6	81.3	-165.5	173.9	178.4	-4.5	114.8	S196 Y209	S196-R198 PolarHBondContact O-N 3.43Å; S196-R198 VanDerWaalsContact O-N 3.11Å; S196-R198 WeakPolarHBondContact OG-CG 3.39Å; R198-Y209 VanDerWaalsContact CA-CD1 3.49Å; R198-Y209 HydrophobicContact CB-CD1 3.42Å; R198-Y209 VanDerWaalsContact CB-CD1 3.42Å; R198-Y209 HydrophobicContact CB-CE1 3.87Å; R198-Y209 HydrophobicContact CB-CG 4.11Å
199	H	92.1	Very high	93.4	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-81	-21.1	-176.7	-59.8	155.8	0	0	0	112.3	P175 V194 L195 S196 R197	P175-H199 HydrophobicContact CG-CB 4.14Å; V194-H199 PolarHBondContact O-ND1 3Å; L195-H199 HydrophobicContact CD2-CB 3.82Å; S196-H199 PolarHBondContact N-ND1 3.34Å; S196-H199 VanDerWaalsContact N-ND1 3.17Å; S196-H199 WeakPolarHBondContact O-CB 3.29Å; S196-H199 PolarHBondContact O-N 3.2Å; R197-H199 PolarHBondContact O-N 3.3Å
200	H	91	Very high	93.2	Very high	9 Å²	9	50 Å²	50	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-134.2	-19	-174.6	72.6	90.1	0	0	0	114.7	S196 R197 S223 H224 F225	S196-H200 PolarHBondContact O-CD2 2.68Å; R197-H200 PolarHBondContact O-N 2.85Å; H200-S223 PolarHBondContact ND1-OG 2.77Å; H200-S223 CarbonylContact O-C 3.58Å; H200-S223 VanDerWaalsContact O-CA 3.25Å; H200-S223 WeakPolarHBondContact O-CA 3.46Å; H200-H224 PolarHBondContact O-N 3.28Å; H200-F225 HydrophobicContact CB-CB 4.05Å
201	L	92.6	Very high	92.7	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.9	174.2	-65	174.7	0	0	0	110.5	R197 Y209 Y214 P247	R197-L201 HydrophobicContact CB-CD1 3.95Å; R197-L201 HydrophobicContact CG-CD1 4.08Å; R197-L201 VanDerWaalsContact O-CB 3.3Å; R197-L201 WeakPolarHBondContact O-CB 3.31Å; R197-L201 PolarHBondContact O-N 2.8Å; L201-Y209 HydrophobicContact CB-CD2 3.75Å; L201-Y209 HydrophobicContact CB-CE2 3.81Å; L201-Y209 HydrophobicContact CD1-CE2 4.08Å; L201-Y209 WeakPolarHBondContact O-CB 3.43Å; L201-Y209 WeakPolarHBondContact O-CD2 3.35Å; L201-Y214 HydrophobicContact CD1-CD1 4.47Å; L201-Y214 HydrophobicContact CD1-CD2 4.12Å; L201-Y214 HydrophobicContact CD1-CE1 3.98Å; L201-Y214 HydrophobicContact CD1-CE2 3.58Å; L201-Y214 VanDerWaalsContact CD1-CZ 3.49Å; L201-Y214 HydrophobicContact CD2-CE2 4.49Å; L201-P247 HydrophobicContact CD2-CB 4.19Å; L201-P247 HydrophobicContact CD2-CG 4.15Å
202	V	93.4	Very high	92.2	Very high	26 Å²	26	59.8 Å²	59.8	16%	0.158	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.6	176.3	-59.6	0	0	0	0	110.5	G207 Y221 T222 H224	V202-G207 WeakPolarHBondContact CB-O 3.42Å; V202-G207 WeakPolarHBondContact CG1-O 3.08Å; V202-Y221 VanDerWaalsContact C-CD1 3.42Å; V202-Y221 CarbonylContact O-C 3.38Å; V202-Y221 WeakPolarHBondContact O-CA 3.35Å; V202-T222 HydrophobicContact CG2-CG2 4.03Å; V202-T222 PolarHBondContact N-O 3.32Å; V202-T222 PolarHBondContact O-N 3.27Å; V202-H224 WeakPolarHBondContact CG2-CD2 3.34Å; V202-H224 VanDerWaalsContact CG2-NE2 3.29Å; V202-H224 WeakPolarHBondContact CG2-NE2 3.4Å
203	R	94	Very high	91.9	Very high	50 Å²	50	62.3 Å²	62.3	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.6	174.9	-170.5	-170.1	-70	158.3	-9.7	109.1	S205 D206 G207 N208 E213 Y221	R203-S205 WeakPolarHBondContact CD-OG 3.45Å; R203-S205 WeakPolarHBondContact CG-OG 3.37Å; R203-S205 PolarHBondContact O-N 3.21Å; R203-D206 WeakPolarHBondContact CB-OD1 3.27Å; R203-D206 WeakPolarHBondContact CD-OD1 3.39Å; R203-D206 IonicContact CZ-OD2 2.63Å; R203-D206 IonicContact NH1-OD1 2.85Å; R203-D206 IonicContact NH1-OD2 3.74Å; R203-D206 PolarHBondContact NH1-OD2 3.06Å; R203-G207 WeakPolarHBondContact O-CA 3.48Å; R203-G207 PolarHBondContact O-N 2.79Å; R203-N208 VanDerWaalsContact CB-O 3.27Å; R203-N208 WeakPolarHBondContact CB-O 3.39Å; R203-N208 PolarHBondContact N-O 3.13Å; R203-E213 IonicContact CZ-OE1 3.74Å; R203-E213 IonicContact CZ-OE2 3.87Å; R203-E213 IonicContact NE-OE1 2.68Å; R203-E213 IonicContact NE-OE2 2.7Å; R203-E213 PolarHBondContact NE-OE2 3.44Å; R203-E213 VanDerWaalsContact NH2-CD 3.29Å; R203-E213 IonicContact NH2-OE1 3.88Å; R203-E213 PolarHBondContact NH2-OE1 3Å; R203-E213 IonicContact NH2-OE2 2.64Å; R203-E213 PolarHBondContact NH2-OE2 3Å; R203-Y221 HydrophobicContact CB-CD1 4.34Å; R203-Y221 HydrophobicContact CB-CE1 3.92Å
204	K	93	Very high	91.4	Very high	139 Å²	139	63 Å²	63	60%	0.604	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.2	-176.7	-70.6	168.3	-178.4	166.2	0	113.8	E219 L220 Y221 T222	K204-E219 PolarHBondContact NZ-O 3.22Å; K204-L220 WeakPolarHBondContact CB-O 3.37Å; K204-L220 VanDerWaalsContact CG-O 3.3Å; K204-L220 WeakPolarHBondContact CG-O 3.37Å; K204-L220 PolarHBondContact N-O 3.22Å; K204-Y221 VanDerWaalsContact CE-O 3.23Å; K204-Y221 WeakPolarHBondContact CE-O 3.49Å; K204-T222 HydrophobicContact CG-CG2 4.26Å
205	S	91.9	Very high	90.7	Very high	99 Å²	99	67.1 Å²	67.1	69%	0.692	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-43.6	-174.8	53.1	0	0	0	0	113.9	R203	R203-S205 WeakPolarHBondContact CD-OG 3.45Å; R203-S205 WeakPolarHBondContact CG-OG 3.37Å; R203-S205 PolarHBondContact O-N 3.21Å
206	D	90.7	Very high	90.3	Very high	77 Å²	77	72.1 Å²	72.1	41%	0.412	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-7.2	-169.5	64.5	5.9	0	0	0	114.2	R203 N208	R203-D206 WeakPolarHBondContact CB-OD1 3.27Å; R203-D206 WeakPolarHBondContact CD-OD1 3.39Å; R203-D206 IonicContact CZ-OD2 2.63Å; R203-D206 IonicContact NH1-OD1 2.85Å; R203-D206 IonicContact NH1-OD2 3.74Å; R203-D206 PolarHBondContact NH1-OD2 3.06Å; D206-N208 VanDerWaalsContact C-N 3.33Å; D206-N208 VanDerWaalsContact CG-ND2 3.35Å; D206-N208 WeakPolarHBondContact OD1-CB 3.24Å; D206-N208 PolarHBondContact OD1-N 2.89Å; D206-N208 PolarHBondContact OD2-ND2 2.88Å; D206-N208 VanDerWaalsContact OD2-ND2 3.16Å
207	G	88.1	Confident	90.1	Very high	41 Å²	41	75.3 Å²	75.3	42%	0.423	38%	0.377	S	S	.	.	S	Bend	trans	80.3	5.3	-179.8	0	0	0	0	0	115.3	V202 R203	V202-G207 WeakPolarHBondContact CB-O 3.42Å; V202-G207 WeakPolarHBondContact CG1-O 3.08Å; R203-G207 WeakPolarHBondContact O-CA 3.48Å; R203-G207 PolarHBondContact O-N 2.79Å
208	N	91.6	Very high	90.1	Very high	95 Å²	95	71.4 Å²	71.4	51%	0.508	36%	0.364	S	S	.	.			trans	-85.3	164.2	179.2	-68	-42.6	0	0	0	112.5	R203 D206	R203-N208 VanDerWaalsContact CB-O 3.27Å; R203-N208 WeakPolarHBondContact CB-O 3.39Å; R203-N208 PolarHBondContact N-O 3.13Å; D206-N208 VanDerWaalsContact C-N 3.33Å; D206-N208 VanDerWaalsContact CG-ND2 3.35Å; D206-N208 WeakPolarHBondContact OD1-CB 3.24Å; D206-N208 PolarHBondContact OD1-N 2.89Å; D206-N208 PolarHBondContact OD2-ND2 2.88Å; D206-N208 VanDerWaalsContact OD2-ND2 3.16Å
209	Y	92	Very high	90	Very high	55 Å²	55	68.1 Å²	68.1	22%	0.216	36%	0.356	C	S	.	.			trans	-119.7	117	173.3	180	-103.3	0	0	0	111.7	R197 R198 L201 P211 Y214 Y221	R197-Y209 HydrophobicContact CB-CE1 4.22Å; R197-Y209 HydrophobicContact CB-CE2 4.07Å; R197-Y209 WeakPolarHBondContact CB-OH 3.46Å; R197-Y209 WeakPolarHBondContact CD-OH 3.33Å; R198-Y209 VanDerWaalsContact CA-CD1 3.49Å; R198-Y209 HydrophobicContact CB-CD1 3.42Å; R198-Y209 VanDerWaalsContact CB-CD1 3.42Å; R198-Y209 HydrophobicContact CB-CE1 3.87Å; R198-Y209 HydrophobicContact CB-CG 4.11Å; L201-Y209 HydrophobicContact CB-CD2 3.75Å; L201-Y209 HydrophobicContact CB-CE2 3.81Å; L201-Y209 HydrophobicContact CD1-CE2 4.08Å; L201-Y209 WeakPolarHBondContact O-CB 3.43Å; L201-Y209 WeakPolarHBondContact O-CD2 3.35Å; Y209-P211 HydrophobicContact CD1-CG 4.33Å; Y209-P211 HydrophobicContact CE1-CB 4.19Å; Y209-P211 HydrophobicContact CE1-CG 3.79Å; Y209-Y214 HydrophobicContact CE2-CG 4.13Å; Y209-Y221 HydrophobicContact CD2-CD1 4.18Å; Y209-Y221 AromaticContact CD2-CE1 3.88Å; Y209-Y221 HydrophobicContact CD2-CE1 3.88Å; Y209-Y221 HydrophobicContact CE2-CE1 4.48Å
210	D	92.9	Very high	90	Very high	65 Å²	65	69.2 Å²	69.2	35%	0.348	36%	0.363	S	S	.	.			trans	-111.3	116.6	170.1	-173.1	-55.9	0	0	0	109.9	M212 E213 Y214 Y221	D210-M212 PolarHBondContact O-N 3.31Å; D210-M212 PolarHBondContact OD1-N 3.01Å; D210-E213 HydrophobicContact CB-CB 3.96Å; D210-E213 PolarHBondContact OD1-N 3.47Å; D210-Y214 VanDerWaalsContact O-CB 3.3Å; D210-Y214 WeakPolarHBondContact O-CB 3.29Å; D210-Y214 PolarHBondContact O-N 2.87Å; D210-Y221 WeakPolarHBondContact CB-OH 3.28Å; D210-Y221 PolarHBondContact N-OH 2.94Å; D210-Y221 VanDerWaalsContact N-OH 3.17Å; D210-Y221 PolarHBondContact O-OH 2.63Å
211	P	87.6	Confident	90.1	Very high	80 Å²	80	69 Å²	69	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-37.4	-178.3	-19.1	28	0	0	0	114.5	Y209 E215	Y209-P211 HydrophobicContact CD1-CG 4.33Å; Y209-P211 HydrophobicContact CE1-CB 4.19Å; Y209-P211 HydrophobicContact CE1-CG 3.79Å; P211-E215 PolarHBondContact O-N 3.36Å
212	M	88.4	Confident	90.1	Very high	139 Å²	139	70.2 Å²	70.2	69%	0.685	37%	0.37	S	S	*	.	H	α-helix	trans	-78.9	-39.2	-174.1	-167.3	68.1	68.3	0	0	110.7	D210 E215 N216	D210-M212 PolarHBondContact O-N 3.31Å; D210-M212 PolarHBondContact OD1-N 3.01Å; M212-E215 PolarHBondContact O-N 3.03Å; M212-N216 PolarHBondContact O-N 3.13Å; M212-N216 PolarHBondContact O-ND2 2.62Å
213	E	90.9	Very high	90	Very high	53 Å²	53	69 Å²	69	25%	0.248	36%	0.363	C	S	.	.	H	α-helix	trans	-66.6	-42.1	173.6	-172.3	-171.5	-120.5	0	0	111	R203 D210 E215 N216 H217 L220 Y221	R203-E213 IonicContact CZ-OE1 3.74Å; R203-E213 IonicContact CZ-OE2 3.87Å; R203-E213 IonicContact NE-OE1 2.68Å; R203-E213 IonicContact NE-OE2 2.7Å; R203-E213 PolarHBondContact NE-OE2 3.44Å; R203-E213 VanDerWaalsContact NH2-CD 3.29Å; R203-E213 IonicContact NH2-OE1 3.88Å; R203-E213 PolarHBondContact NH2-OE1 3Å; R203-E213 IonicContact NH2-OE2 2.64Å; R203-E213 PolarHBondContact NH2-OE2 3Å; D210-E213 HydrophobicContact CB-CB 3.96Å; D210-E213 PolarHBondContact OD1-N 3.47Å; E213-E215 VanDerWaalsContact C-N 3.29Å; E213-E215 PolarHBondContact O-N 2.76Å; E213-N216 PolarHBondContact O-N 3.21Å; E213-H217 HydrophobicContact CG-CB 4.45Å; E213-H217 WeakPolarHBondContact O-CA 3.48Å; E213-H217 WeakPolarHBondContact O-CB 3.47Å; E213-H217 PolarHBondContact O-N 3.03Å; E213-L220 HydrophobicContact CG-CD1 4.46Å; E213-Y221 HydrophobicContact CG-CE2 4.27Å; E213-Y221 WeakPolarHBondContact OE2-CE2 3.37Å; E213-Y221 PolarHBondContact OE2-OH 3.04Å
214	Y	86.9	Confident	89.9	Confident	16 Å²	16	70.4 Å²	70.4	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-39.8	177.1	173.6	-100.4	0	0	0	112.6	L201 Y209 D210 N216 P218 Y221 T246	L201-Y214 HydrophobicContact CD1-CD1 4.47Å; L201-Y214 HydrophobicContact CD1-CD2 4.12Å; L201-Y214 HydrophobicContact CD1-CE1 3.98Å; L201-Y214 HydrophobicContact CD1-CE2 3.58Å; L201-Y214 VanDerWaalsContact CD1-CZ 3.49Å; L201-Y214 HydrophobicContact CD2-CE2 4.49Å; Y209-Y214 HydrophobicContact CE2-CG 4.13Å; D210-Y214 VanDerWaalsContact O-CB 3.3Å; D210-Y214 WeakPolarHBondContact O-CB 3.29Å; D210-Y214 PolarHBondContact O-N 2.87Å; Y214-N216 VanDerWaalsContact C-N 3.27Å; Y214-N216 PolarHBondContact O-N 3.38Å; Y214-P218 HydrophobicContact CD2-CB 4.28Å; Y214-P218 HydrophobicContact CE2-CB 3.94Å; Y214-P218 WeakPolarHBondContact O-CA 3.47Å; Y214-P218 WeakPolarHBondContact O-CD 3.42Å; Y214-Y221 HydrophobicContact CD2-CD1 4.19Å; Y214-Y221 AromaticContact CD2-CD2 3.74Å; Y214-Y221 HydrophobicContact CD2-CD2 3.74Å; Y214-Y221 HydrophobicContact CD2-CE2 4.37Å; Y214-Y221 AromaticContact CD2-CG 3.65Å; Y214-Y221 HydrophobicContact CD2-CG 3.65Å; Y214-Y221 HydrophobicContact CE2-CG 4.44Å; Y214-Y221 HydrophobicContact CG-CD2 4.45Å; Y214-T246 VanDerWaalsContact OH-CB 3.31Å; Y214-T246 WeakPolarHBondContact OH-CB 3.29Å; Y214-T246 VanDerWaalsContact OH-CG2 3.23Å; Y214-T246 WeakPolarHBondContact OH-CG2 3.18Å
215	E	82.9	Confident	90	Very high	122 Å²	122	63.8 Å²	63.8	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-65.7	-32.5	179.6	-159.4	66.9	-153.6	0	0	112	R197 P211 M212 E213	R197-E215 IonicContact CZ-OE2 2.82Å; R197-E215 IonicContact NH1-OE2 2.78Å; R197-E215 PolarHBondContact NH1-OE2 3Å; R197-E215 IonicContact NH2-OE2 2.77Å; P211-E215 PolarHBondContact O-N 3.36Å; M212-E215 PolarHBondContact O-N 3.03Å; E213-E215 VanDerWaalsContact C-N 3.29Å; E213-E215 PolarHBondContact O-N 2.76Å
216	N	84.9	Confident	90	Very high	106 Å²	106	62 Å²	62	57%	0.567	32%	0.321	S	S	*	.	H	α-helix	trans	-91.4	-29.6	179.8	-66.7	-59.6	0	0	0	113.7	M212 E213 Y214	M212-N216 PolarHBondContact O-N 3.13Å; M212-N216 PolarHBondContact O-ND2 2.62Å; E213-N216 PolarHBondContact O-N 3.21Å; Y214-N216 VanDerWaalsContact C-N 3.27Å; Y214-N216 PolarHBondContact O-N 3.38Å
217	H	88.4	Confident	89.9	Confident	91 Å²	91	62 Å²	62	42%	0.421	32%	0.323	S	S	.	.			trans	-139.5	60.7	-170.8	-64.9	-65.6	0	0	0	112.4	E213 E219 L220	E213-H217 HydrophobicContact CG-CB 4.45Å; E213-H217 WeakPolarHBondContact O-CA 3.48Å; E213-H217 WeakPolarHBondContact O-CB 3.47Å; E213-H217 PolarHBondContact O-N 3.03Å; H217-E219 VanDerWaalsContact CA-OE2 3.28Å; H217-E219 WeakPolarHBondContact CA-OE2 3.43Å; H217-E219 IonicContact CG-OE1 3.83Å; H217-E219 IonicContact ND1-OE1 2.77Å; H217-E219 PolarHBondContact ND1-OE1 3.19Å; H217-E219 VanDerWaalsContact ND1-OE1 3.14Å; H217-E219 PolarHBondContact O-N 3.32Å; H217-E219 VanDerWaalsContact O-N 3.15Å; H217-L220 HydrophobicContact CB-CD1 3.76Å; H217-L220 HydrophobicContact CB-CG 4.05Å; H217-L220 PolarHBondContact O-N 3.17Å
218	P	87.6	Confident	90	Very high	18 Å²	18	62.5 Å²	62.5	12%	0.117	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.5	-22.2	-177.9	26.5	-35.2	0	0	0	113.3	Y214 L220 Y221 H245 T246	Y214-P218 HydrophobicContact CD2-CB 4.28Å; Y214-P218 HydrophobicContact CE2-CB 3.94Å; Y214-P218 WeakPolarHBondContact O-CA 3.47Å; Y214-P218 WeakPolarHBondContact O-CD 3.42Å; P218-L220 PolarHBondContact O-N 3.21Å; P218-Y221 PolarHBondContact O-N 2.93Å; P218-Y221 VanDerWaalsContact O-N 3.14Å; P218-H245 HydrophobicContact CG-CB 4.26Å; P218-T246 HydrophobicContact CB-CG2 3.76Å; P218-T246 HydrophobicContact CG-CG2 4.36Å
219	E	89	Confident	90.2	Very high	98 Å²	98	58 Å²	58	46%	0.458	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-64	-21.4	177.7	71.1	-77.2	-178.9	0	0	113.8	K204 H217 Y221	K204-E219 PolarHBondContact NZ-O 3.22Å; H217-E219 VanDerWaalsContact CA-OE2 3.28Å; H217-E219 WeakPolarHBondContact CA-OE2 3.43Å; H217-E219 IonicContact CG-OE1 3.83Å; H217-E219 IonicContact ND1-OE1 2.77Å; H217-E219 PolarHBondContact ND1-OE1 3.19Å; H217-E219 VanDerWaalsContact ND1-OE1 3.14Å; H217-E219 PolarHBondContact O-N 3.32Å; H217-E219 VanDerWaalsContact O-N 3.15Å; E219-Y221 PolarHBondContact O-N 3.41Å
220	L	91.3	Very high	90.3	Very high	72 Å²	72	55.4 Å²	55.4	38%	0.377	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-77.9	-10.3	177.7	-61	-179.3	0	0	0	112.9	K204 E213 H217 P218	K204-L220 WeakPolarHBondContact CB-O 3.37Å; K204-L220 VanDerWaalsContact CG-O 3.3Å; K204-L220 WeakPolarHBondContact CG-O 3.37Å; K204-L220 PolarHBondContact N-O 3.22Å; E213-L220 HydrophobicContact CG-CD1 4.46Å; H217-L220 HydrophobicContact CB-CD1 3.76Å; H217-L220 HydrophobicContact CB-CG 4.05Å; H217-L220 PolarHBondContact O-N 3.17Å; P218-L220 PolarHBondContact O-N 3.21Å
221	Y	93.8	Very high	90.4	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	158.2	-172.7	-72.3	-98.6	0	0	0	112.5	V202 R203 K204 Y209 D210 E213 Y214 P218 E219 P247	V202-Y221 VanDerWaalsContact C-CD1 3.42Å; V202-Y221 CarbonylContact O-C 3.38Å; V202-Y221 WeakPolarHBondContact O-CA 3.35Å; R203-Y221 HydrophobicContact CB-CD1 4.34Å; R203-Y221 HydrophobicContact CB-CE1 3.92Å; K204-Y221 VanDerWaalsContact CE-O 3.23Å; K204-Y221 WeakPolarHBondContact CE-O 3.49Å; Y209-Y221 HydrophobicContact CD2-CD1 4.18Å; Y209-Y221 AromaticContact CD2-CE1 3.88Å; Y209-Y221 HydrophobicContact CD2-CE1 3.88Å; Y209-Y221 HydrophobicContact CE2-CE1 4.48Å; D210-Y221 WeakPolarHBondContact CB-OH 3.28Å; D210-Y221 PolarHBondContact N-OH 2.94Å; D210-Y221 VanDerWaalsContact N-OH 3.17Å; D210-Y221 PolarHBondContact O-OH 2.63Å; E213-Y221 HydrophobicContact CG-CE2 4.27Å; E213-Y221 WeakPolarHBondContact OE2-CE2 3.37Å; E213-Y221 PolarHBondContact OE2-OH 3.04Å; Y214-Y221 HydrophobicContact CD2-CD1 4.19Å; Y214-Y221 AromaticContact CD2-CD2 3.74Å; Y214-Y221 HydrophobicContact CD2-CD2 3.74Å; Y214-Y221 HydrophobicContact CD2-CE2 4.37Å; Y214-Y221 AromaticContact CD2-CG 3.65Å; Y214-Y221 HydrophobicContact CD2-CG 3.65Å; Y214-Y221 HydrophobicContact CE2-CG 4.44Å; Y214-Y221 HydrophobicContact CG-CD2 4.45Å; P218-Y221 PolarHBondContact O-N 2.93Å; P218-Y221 VanDerWaalsContact O-N 3.14Å; E219-Y221 PolarHBondContact O-N 3.41Å; Y221-P247 VanDerWaalsContact O-CG 3.24Å; Y221-P247 WeakPolarHBondContact O-CG 3.38Å
222	T	92.6	Very high	90.8	Very high	30 Å²	30	53.4 Å²	53.4	18%	0.184	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.7	169.7	-165.1	0	0	0	0	110.3	V202 K204	V202-T222 HydrophobicContact CG2-CG2 4.03Å; V202-T222 PolarHBondContact N-O 3.32Å; V202-T222 PolarHBondContact O-N 3.27Å; K204-T222 HydrophobicContact CG-CG2 4.26Å
223	S	92.3	Very high	91.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130	177.5	-174.1	0	0	0	0	110.7	H200 F225 R226 R248	H200-S223 PolarHBondContact ND1-OG 2.77Å; H200-S223 CarbonylContact O-C 3.58Å; H200-S223 VanDerWaalsContact O-CA 3.25Å; H200-S223 WeakPolarHBondContact O-CA 3.46Å; S223-F225 WeakPolarHBondContact OG-CB 3.38Å; S223-F225 PolarHBondContact OG-N 2.84Å; S223-R226 PolarHBondContact O-NH1 2.88Å; S223-R248 VanDerWaalsContact CB-O 3.24Å; S223-R248 WeakPolarHBondContact CB-O 3.48Å
224	H	92	Very high	91.5	Very high	78 Å²	78	44.4 Å²	44.4	36%	0.361	23%	0.226	S	C	.	.			trans	-96.3	1	172.5	-80.8	-122.8	0	0	0	113.1	H200 V202 R226 T227 S228	H200-H224 PolarHBondContact O-N 3.28Å; V202-H224 WeakPolarHBondContact CG2-CD2 3.34Å; V202-H224 VanDerWaalsContact CG2-NE2 3.29Å; V202-H224 WeakPolarHBondContact CG2-NE2 3.4Å; H224-R226 PolarHBondContact O-N 3.42Å; H224-R226 VanDerWaalsContact O-N 3.13Å; H224-T227 PolarHBondContact O-N 3.01Å; H224-T227 PolarHBondContact O-OG1 3.32Å; H224-S228 PolarHBondContact O-N 3.2Å; H224-S228 PolarHBondContact O-OG 3.36Å
225	F	94.3	Very high	92	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-46	-46.7	179.9	179.6	-96	0	0	0	113.2	T152 L195 H200 S223 T227 V229 A230 L236 L249 L250	T152-F225 HydrophobicContact CG2-CE2 4.31Å; L195-F225 HydrophobicContact CD1-CD2 3.81Å; L195-F225 HydrophobicContact CD1-CE2 3.5Å; L195-F225 VanDerWaalsContact CD1-CE2 3.5Å; H200-F225 HydrophobicContact CB-CB 4.05Å; S223-F225 WeakPolarHBondContact OG-CB 3.38Å; S223-F225 PolarHBondContact OG-N 2.84Å; F225-T227 PolarHBondContact O-N 2.88Å; F225-T227 VanDerWaalsContact O-N 3.07Å; F225-V229 HydrophobicContact CD2-CB 3.86Å; F225-V229 HydrophobicContact CD2-CG1 4.17Å; F225-V229 HydrophobicContact CD2-CG2 4.23Å; F225-V229 HydrophobicContact CE2-CB 3.92Å; F225-V229 HydrophobicContact CE2-CG1 3.75Å; F225-V229 HydrophobicContact CZ-CG1 4.44Å; F225-V229 PolarHBondContact O-N 3.2Å; F225-V229 VanDerWaalsContact O-N 3.1Å; F225-A230 HydrophobicContact CD1-CB 4.06Å; F225-A230 HydrophobicContact CE1-CB 3.72Å; F225-A230 HydrophobicContact CZ-CB 4.3Å; F225-A230 PolarHBondContact O-N 3.37Å; F225-L236 HydrophobicContact CE1-CD2 3.97Å; F225-L236 HydrophobicContact CE2-CD1 4.13Å; F225-L236 HydrophobicContact CZ-CD1 3.6Å; F225-L236 HydrophobicContact CZ-CD2 3.77Å; F225-L236 HydrophobicContact CZ-CG 4.29Å; F225-L249 HydrophobicContact CB-CD2 3.9Å; F225-L249 HydrophobicContact CD1-CB 4.02Å; F225-L249 HydrophobicContact CD1-CD2 4.3Å; F225-L249 HydrophobicContact CD2-CD2 4.12Å; F225-L249 HydrophobicContact CE1-CB 4.49Å; F225-L249 HydrophobicContact CG-CB 4.4Å; F225-L249 HydrophobicContact CG-CD2 3.85Å; F225-L250 HydrophobicContact CD1-CD2 3.87Å; F225-L250 HydrophobicContact CD1-CG 3.98Å; F225-L250 HydrophobicContact CE1-CD1 4.08Å; F225-L250 HydrophobicContact CE1-CD2 3.99Å; F225-L250 HydrophobicContact CE1-CG 3.85Å
226	R	91.9	Very high	92.7	Very high	62 Å²	62	37.9 Å²	37.9	23%	0.234	20%	0.196	C	C	.	.	H	α-helix	trans	-54.8	-24.5	178.1	59.7	167.3	-176.8	-74.9	-10.1	115.3	S223 H224 P231 L250 D254	S223-R226 PolarHBondContact O-NH1 2.88Å; H224-R226 PolarHBondContact O-N 3.42Å; H224-R226 VanDerWaalsContact O-N 3.13Å; R226-P231 WeakPolarHBondContact O-CD 3.01Å; R226-L250 HydrophobicContact CB-CD2 3.99Å; R226-D254 HydrophobicContact CB-CB 4.06Å; R226-D254 WeakPolarHBondContact CD-OD1 3.38Å; R226-D254 WeakPolarHBondContact CD-OD2 3.14Å
227	T	89.1	Confident	93.3	Very high	76 Å²	76	32.9 Å²	32.9	47%	0.466	17%	0.169	S	C	.	.	H	α-helix	trans	-113	-35.3	-175.1	42.2	0	0	0	0	113.5	H224 F225	H224-T227 PolarHBondContact O-N 3.01Å; H224-T227 PolarHBondContact O-OG1 3.32Å; F225-T227 PolarHBondContact O-N 2.88Å; F225-T227 VanDerWaalsContact O-N 3.07Å
228	S	90.2	Very high	93.7	Very high	51 Å²	51	28.5 Å²	28.5	36%	0.357	15%	0.149	S	C	.	.	H	α-helix	trans	-95.5	-23.3	-174.1	54.3	0	0	0	0	113.8	H224	H224-S228 PolarHBondContact O-N 3.2Å; H224-S228 PolarHBondContact O-OG 3.36Å
229	V	94.8	Very high	93.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-58.6	-174.3	-175.1	0	0	0	0	111	C150 L178 L195 F225 P231 Y232 T233	C150-V229 HydrophobicContact CB-CG1 4.37Å; L178-V229 HydrophobicContact CD2-CB 4.48Å; L178-V229 HydrophobicContact CD2-CG1 3.63Å; L195-V229 HydrophobicContact CD1-CB 4.42Å; L195-V229 HydrophobicContact CD1-CG1 3.72Å; L195-V229 HydrophobicContact CD1-CG2 4.23Å; L195-V229 HydrophobicContact CD2-CG2 4.07Å; F225-V229 HydrophobicContact CD2-CB 3.86Å; F225-V229 HydrophobicContact CD2-CG1 4.17Å; F225-V229 HydrophobicContact CD2-CG2 4.23Å; F225-V229 HydrophobicContact CE2-CB 3.92Å; F225-V229 HydrophobicContact CE2-CG1 3.75Å; F225-V229 HydrophobicContact CZ-CG1 4.44Å; F225-V229 PolarHBondContact O-N 3.2Å; F225-V229 VanDerWaalsContact O-N 3.1Å; V229-P231 VanDerWaalsContact C-N 3.33Å; V229-P231 WeakPolarHBondContact O-CD 3.21Å; V229-P231 VanDerWaalsContact O-N 3.1Å; V229-Y232 PolarHBondContact O-N 3.11Å; V229-T233 PolarHBondContact O-N 3.34Å; V229-T233 PolarHBondContact O-OG1 3.05Å; V229-T233 VanDerWaalsContact O-OG1 3.11Å
230	A	95.1	Very high	93.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-51.8	-37.6	-171	0	0	0	0	0	115.6	F225 Y232 T233 L250 L258	F225-A230 HydrophobicContact CD1-CB 4.06Å; F225-A230 HydrophobicContact CE1-CB 3.72Å; F225-A230 HydrophobicContact CZ-CB 4.3Å; F225-A230 PolarHBondContact O-N 3.37Å; A230-Y232 PolarHBondContact O-N 2.96Å; A230-T233 PolarHBondContact O-N 2.63Å; A230-L250 HydrophobicContact CB-CD2 3.97Å; A230-L258 HydrophobicContact CB-CD1 3.81Å; A230-L258 HydrophobicContact CB-CD2 4.13Å
231	P	94.6	Very high	93.2	Very high	46 Å²	46	27.8 Å²	27.8	30%	0.299	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-62.5	-22.8	177	-24.1	35.7	0	0	0	114.6	R226 V229 L258 K278	R226-P231 WeakPolarHBondContact O-CD 3.01Å; V229-P231 VanDerWaalsContact C-N 3.33Å; V229-P231 WeakPolarHBondContact O-CD 3.21Å; V229-P231 VanDerWaalsContact O-N 3.1Å; P231-L258 HydrophobicContact CB-CD2 4.17Å; P231-L258 HydrophobicContact CG-CD2 3.87Å; P231-K278 WeakPolarHBondContact O-CB 3.42Å
232	Y	95.6	Very high	92.8	Very high	57 Å²	57	28.9 Å²	28.9	22%	0.224	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-109.1	7.7	-176	-45.8	-66.6	0	0	0	112.3	T148 K179 V229 A230	T148-Y232 WeakPolarHBondContact CB-O 3.35Å; T148-Y232 PolarHBondContact OG1-O 3.38Å; K179-Y232 HydrophobicContact CB-CD1 3.99Å; K179-Y232 HydrophobicContact CB-CD2 4.08Å; K179-Y232 HydrophobicContact CB-CE1 3.92Å; K179-Y232 HydrophobicContact CB-CE2 4Å; K179-Y232 HydrophobicContact CB-CG 4.07Å; K179-Y232 HydrophobicContact CD-CE1 3.94Å; K179-Y232 HydrophobicContact CD-CE2 4.49Å; K179-Y232 HydrophobicContact CG-CD1 3.93Å; K179-Y232 HydrophobicContact CG-CE1 3.5Å; K179-Y232 HydrophobicContact CG-CE2 4.33Å; V229-Y232 PolarHBondContact O-N 3.11Å; A230-Y232 PolarHBondContact O-N 2.96Å
233	T	97	Very high	91.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.			trans	-97.1	129.4	-179.3	-56.8	0	0	0	0	110.4	T148 C150 V229 A230 C235 L236 K278 L279	T148-T233 WeakPolarHBondContact OG1-CA 3.38Å; C150-T233 HydrophobicContact CB-CG2 3.72Å; C150-T233 PolarHBondContact SG-OG1 3Å; V229-T233 PolarHBondContact O-N 3.34Å; V229-T233 PolarHBondContact O-OG1 3.05Å; V229-T233 VanDerWaalsContact O-OG1 3.11Å; A230-T233 PolarHBondContact O-N 2.63Å; T233-C235 VanDerWaalsContact CG2-C 3.49Å; T233-C235 WeakPolarHBondContact CG2-O 3.41Å; T233-L236 HydrophobicContact CG2-CB 4.29Å; T233-K278 CarbonylContact O-C 3Å; T233-L279 HydrophobicContact CG2-CD1 3.97Å; T233-L279 WeakPolarHBondContact O-CA 3.44Å; T233-L279 PolarHBondContact O-N 2.76Å
234	T	96.6	Very high	91.2	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	18%	0.179	C	C	.	.	S	Bend	trans	-82.2	-47	169.4	-55.4	0	0	0	0	112.2	L147 T148 K278 L280 A281	L147-T234 HydrophobicContact CD2-CG2 3.64Å; T148-T234 PolarHBondContact N-OG1 3.43Å; T148-T234 WeakPolarHBondContact O-CA 3.41Å; T148-T234 WeakPolarHBondContact O-CB 3.32Å; T148-T234 PolarHBondContact O-N 3.22Å; T148-T234 PolarHBondContact OG1-N 3.1Å; T148-T234 PolarHBondContact OG1-OG1 2.66Å; T234-K278 VanDerWaalsContact CA-O 3.29Å; T234-K278 WeakPolarHBondContact CA-O 3.12Å; T234-K278 WeakPolarHBondContact OG1-CE 3.45Å; T234-L280 HydrophobicContact CG2-CB 4.49Å; T234-L280 HydrophobicContact CG2-CD1 4.15Å; T234-L280 HydrophobicContact CG2-CG 4.4Å; T234-L280 PolarHBondContact O-N 3.36Å; T234-A281 PolarHBondContact O-N 2.72Å
235	C	98.1	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.4	-179.4	-175.9	0	0	0	0	110.4	I92 L96 T148 F149 C150 T233 A281	I92-C235 VanDerWaalsContact CG1-SG 3.55Å; L96-C235 HydrophobicContact CD1-CB 4.08Å; T148-C235 PolarHBondContact O-N 3.36Å; F149-C235 WeakPolarHBondContact CA-O 3.39Å; F149-C235 HydrophobicContact CD1-CB 3.63Å; F149-C235 HydrophobicContact CE1-CB 3.71Å; F149-C235 HydrophobicContact CG-CB 4.5Å; C150-C235 PolarHBondContact N-O 2.81Å; T233-C235 VanDerWaalsContact CG2-C 3.49Å; T233-C235 WeakPolarHBondContact CG2-O 3.41Å; C235-A281 WeakPolarHBondContact CA-O 3.26Å
236	L	98	Very high	90	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127	175.5	177.2	59.5	0	0	0	110	C150 T152 F225 T233 N238 L250 L279 A281 I282 C283 I293	C150-L236 HydrophobicContact CB-CD1 4.12Å; C150-L236 WeakPolarHBondContact O-CD1 3.43Å; T152-L236 HydrophobicContact CG2-CD1 3.74Å; F225-L236 HydrophobicContact CE1-CD2 3.97Å; F225-L236 HydrophobicContact CE2-CD1 4.13Å; F225-L236 HydrophobicContact CZ-CD1 3.6Å; F225-L236 HydrophobicContact CZ-CD2 3.77Å; F225-L236 HydrophobicContact CZ-CG 4.29Å; T233-L236 HydrophobicContact CG2-CB 4.29Å; L236-N238 HydrophobicContact CG-CB 4.44Å; L236-L250 HydrophobicContact CD2-CD1 4.37Å; L236-L279 HydrophobicContact CB-CD1 4.32Å; L236-A281 PolarHBondContact N-O 2.95Å; L236-I282 HydrophobicContact CB-CB 4.49Å; L236-I282 HydrophobicContact CB-CG1 4.09Å; L236-I282 HydrophobicContact CB-CG2 4.36Å; L236-I282 HydrophobicContact CD2-CD1 4.5Å; L236-I282 HydrophobicContact CD2-CG1 4.32Å; L236-I282 HydrophobicContact CD2-CG2 4.16Å; L236-I282 HydrophobicContact CG-CG2 4.37Å; L236-I282 CarbonylContact O-C 3.47Å; L236-I282 WeakPolarHBondContact O-CA 3.39Å; L236-C283 PolarHBondContact O-N 3.36Å; L236-I293 HydrophobicContact CD2-CD1 4.11Å
237	I	97.9	Very high	89.8	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.4	170.4	-62.5	79.5	0	0	0	107.1	M89 F149 C150 F151 T152 A161 I285	M89-I237 HydrophobicContact SD-CD1 4.11Å; M89-I237 HydrophobicContact SD-CG1 3.82Å; F149-I237 HydrophobicContact CB-CD1 4.34Å; F149-I237 HydrophobicContact CD1-CD1 3.97Å; C150-I237 PolarHBondContact O-N 3.01Å; F151-I237 WeakPolarHBondContact CA-O 3.3Å; F151-I237 HydrophobicContact CD1-CB 3.67Å; F151-I237 HydrophobicContact CD1-CD1 4.29Å; F151-I237 HydrophobicContact CD1-CG1 4.06Å; F151-I237 HydrophobicContact CD1-CG2 3.85Å; F151-I237 HydrophobicContact CE1-CB 3.96Å; F151-I237 HydrophobicContact CE1-CD1 3.9Å; F151-I237 HydrophobicContact CE1-CG1 3.8Å; F151-I237 HydrophobicContact CE1-CG2 4.18Å; F151-I237 HydrophobicContact CG-CB 4.42Å; F151-I237 HydrophobicContact CZ-CD1 4.09Å; F151-I237 HydrophobicContact CZ-CG1 4.47Å; T152-I237 PolarHBondContact N-O 3.15Å; A161-I237 HydrophobicContact CB-CG2 3.86Å; I237-I285 HydrophobicContact CG2-CD1 3.79Å
238	N	96.1	Very high	90	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.6	-176.5	-171.4	53.1	0	0	0	111.7	T152 L236 L249 C283 D284 I285 S286 S292	T152-N238 VanDerWaalsContact OG1-CA 3.26Å; T152-N238 WeakPolarHBondContact OG1-CA 3.35Å; T152-N238 PolarHBondContact OG1-OD1 3.4Å; L236-N238 HydrophobicContact CG-CB 4.44Å; N238-L249 WeakPolarHBondContact OD1-CD1 3.29Å; N238-C283 PolarHBondContact N-O 2.86Å; N238-D284 HydrophobicContact CB-CB 4.49Å; N238-D284 PolarHBondContact ND2-OD1 3.23Å; N238-I285 WeakPolarHBondContact O-CA 3.33Å; N238-I285 WeakPolarHBondContact O-CB 3.39Å; N238-I285 PolarHBondContact O-N 2.83Å; N238-S286 PolarHBondContact O-N 2.9Å; N238-S292 PolarHBondContact ND2-OG 2.75Å
239	G	89.8	Confident	90.1	Very high	18 Å²	18	33.4 Å²	33.4	19%	0.186	17%	0.168	C	C	.	.			trans	-138.1	24.3	-177.6	0	0	0	0	0	113.6	T152	T152-G239 PolarHBondContact OG1-N 2.85Å
240	I	87.3	Confident	90	Very high	32 Å²	32	33.3 Å²	33.3	16%	0.164	17%	0.168	C	C	.	.			trans	-82.3	147.8	-179.5	60.8	170.8	0	0	0	111.9	T152 L249	T152-I240 WeakPolarHBondContact OG1-CG2 3.48Å; I240-L249 HydrophobicContact CD1-CD1 3.66Å; I240-L249 HydrophobicContact CD1-CG 3.95Å; I240-L249 HydrophobicContact CG1-CD1 4.35Å
241	Y	81.1	Confident	89.9	Confident	122 Å²	122	39.5 Å²	39.5	48%	0.478	19%	0.191	S	C	.	.			trans	-73.7	127.7	159.1	177.6	-90.3	0	0	0	109	K44 D243	K44-Y241 WeakPolarHBondContact CE-OH 3.32Å; Y241-D243 HydrophobicContact CE1-CB 4.33Å
242	W	83.9	Confident	89.5	Confident	27 Å²	27	42.5 Å²	42.5	10%	0.102	20%	0.196	C	C	.	.			trans	-120.4	139.2	177.9	-177.2	78.4	0	0	0	111.5	P244 T246 R248	W242-P244 VanDerWaalsContact CH2-CA 3.49Å; W242-P244 HydrophobicContact CH2-CB 4.24Å; W242-P244 HydrophobicContact CH2-CG 4.45Å; W242-P244 HydrophobicContact CZ3-CB 4.44Å; W242-P244 HydrophobicContact CZ3-CG 4.16Å; W242-T246 VanDerWaalsContact CD1-OG1 3.26Å; W242-T246 PolarHBondContact NE1-O 3.14Å; W242-T246 VanDerWaalsContact NE1-O 3.13Å; W242-T246 PolarHBondContact NE1-OG1 2.78Å; W242-R248 HydrophobicContact CZ2-CG 3.91Å
243	D	75	Confident	89.1	Confident	51 Å²	51	44.9 Å²	44.9	27%	0.273	21%	0.213	S	C	.	.			trans	-116.5	141.4	175.4	179.2	-84.4	0	0	0	109.8	Y241 H245 T246	Y241-D243 HydrophobicContact CE1-CB 4.33Å; D243-H245 PolarHBondContact O-N 3.37Å; D243-H245 VanDerWaalsContact OD1-CB 3.29Å; D243-H245 WeakPolarHBondContact OD1-CB 3.27Å; D243-H245 IonicContact OD1-CD2 3.06Å; D243-H245 PolarHBondContact OD1-CD2 3.1Å; D243-H245 VanDerWaalsContact OD1-CD2 3.28Å; D243-H245 IonicContact OD1-CG 3Å; D243-H245 PolarHBondContact OD1-N 3.45Å; D243-T246 HydrophobicContact CB-CG2 3.94Å; D243-T246 PolarHBondContact N-OG1 2.74Å; D243-T246 WeakPolarHBondContact O-CB 3.35Å; D243-T246 PolarHBondContact O-N 3.01Å; D243-T246 PolarHBondContact O-OG1 3.29Å
244	P	76.3	Confident	88.8	Confident	89 Å²	89	45.6 Å²	45.6	58%	0.578	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.7	-178.8	-28.5	36.5	0	0	0	116	W242 T246	W242-P244 VanDerWaalsContact CH2-CA 3.49Å; W242-P244 HydrophobicContact CH2-CB 4.24Å; W242-P244 HydrophobicContact CH2-CG 4.45Å; W242-P244 HydrophobicContact CZ3-CB 4.44Å; W242-P244 HydrophobicContact CZ3-CG 4.16Å; P244-T246 VanDerWaalsContact C-N 3.3Å
245	H	77.8	Confident	88.4	Confident	145 Å²	145	45.4 Å²	45.4	67%	0.671	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.3	177.7	-58.8	-64.2	0	0	0	113.5	P218 D243	P218-H245 HydrophobicContact CG-CB 4.26Å; D243-H245 PolarHBondContact O-N 3.37Å; D243-H245 VanDerWaalsContact OD1-CB 3.29Å; D243-H245 WeakPolarHBondContact OD1-CB 3.27Å; D243-H245 IonicContact OD1-CD2 3.06Å; D243-H245 PolarHBondContact OD1-CD2 3.1Å; D243-H245 VanDerWaalsContact OD1-CD2 3.28Å; D243-H245 IonicContact OD1-CG 3Å; D243-H245 PolarHBondContact OD1-N 3.45Å
246	T	84.3	Confident	87.9	Confident	23 Å²	23	47.1 Å²	47.1	14%	0.141	22%	0.223	C	C	.	.	S	Bend	trans	-101.6	150.7	-175.9	66.8	0	0	0	0	113.3	Y214 P218 W242 D243 P244 R248	Y214-T246 VanDerWaalsContact OH-CB 3.31Å; Y214-T246 WeakPolarHBondContact OH-CB 3.29Å; Y214-T246 VanDerWaalsContact OH-CG2 3.23Å; Y214-T246 WeakPolarHBondContact OH-CG2 3.18Å; P218-T246 HydrophobicContact CB-CG2 3.76Å; P218-T246 HydrophobicContact CG-CG2 4.36Å; W242-T246 VanDerWaalsContact CD1-OG1 3.26Å; W242-T246 PolarHBondContact NE1-O 3.14Å; W242-T246 VanDerWaalsContact NE1-O 3.13Å; W242-T246 PolarHBondContact NE1-OG1 2.78Å; D243-T246 HydrophobicContact CB-CG2 3.94Å; D243-T246 PolarHBondContact N-OG1 2.74Å; D243-T246 WeakPolarHBondContact O-CB 3.35Å; D243-T246 PolarHBondContact O-N 3.01Å; D243-T246 PolarHBondContact O-OG1 3.29Å; P244-T246 VanDerWaalsContact C-N 3.3Å; T246-R248 PolarHBondContact O-N 3.27Å
247	P	88.1	Confident	87.4	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.143	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-60.8	136.7	179.3	-23.7	34.8	0	0	0	113.4	L201 Y221	L201-P247 HydrophobicContact CD2-CB 4.19Å; L201-P247 HydrophobicContact CD2-CG 4.15Å; Y221-P247 VanDerWaalsContact O-CG 3.24Å; Y221-P247 WeakPolarHBondContact O-CG 3.38Å
248	R	91.6	Very high	87	Confident	63 Å²	63	56.3 Å²	56.3	24%	0.238	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-72.2	153.8	173.1	-63.3	174.9	-176.6	-102.9	-1.2	111.8	S223 W242 T246 G290 G291 E294	S223-R248 VanDerWaalsContact CB-O 3.24Å; S223-R248 WeakPolarHBondContact CB-O 3.48Å; W242-R248 HydrophobicContact CZ2-CG 3.91Å; T246-R248 PolarHBondContact O-N 3.27Å; R248-G290 PolarHBondContact NH1-O 3.15Å; R248-G290 PolarHBondContact NH2-O 3.33Å; R248-G291 PolarHBondContact NH1-O 3.23Å; R248-E294 VanDerWaalsContact NH1-CA 3.33Å
249	L	93	Very high	86.5	Confident	1 Å²	1	57 Å²	57	1%	0.005	26%	0.263	C	S	.	.	S	Bend	trans	-75.3	-51.1	173.9	-72.3	175	0	0	0	111.4	T152 F225 N238 I240 S292 I293	T152-L249 HydrophobicContact CG2-CD1 3.88Å; F225-L249 HydrophobicContact CB-CD2 3.9Å; F225-L249 HydrophobicContact CD1-CB 4.02Å; F225-L249 HydrophobicContact CD1-CD2 4.3Å; F225-L249 HydrophobicContact CD2-CD2 4.12Å; F225-L249 HydrophobicContact CE1-CB 4.49Å; F225-L249 HydrophobicContact CG-CB 4.4Å; F225-L249 HydrophobicContact CG-CD2 3.85Å; N238-L249 WeakPolarHBondContact OD1-CD1 3.29Å; I240-L249 HydrophobicContact CD1-CD1 3.66Å; I240-L249 HydrophobicContact CD1-CG 3.95Å; I240-L249 HydrophobicContact CG1-CD1 4.35Å; L249-S292 PolarHBondContact N-O 2.96Å; L249-I293 HydrophobicContact CB-CD1 4.17Å
250	L	93.9	Very high	86	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-133.3	132.1	179.6	-66.8	177.2	0	0	0	110.8	F225 R226 A230 L236 D254 L258 L279 I282 S292 I293 E294 F295	F225-L250 HydrophobicContact CD1-CD2 3.87Å; F225-L250 HydrophobicContact CD1-CG 3.98Å; F225-L250 HydrophobicContact CE1-CD1 4.08Å; F225-L250 HydrophobicContact CE1-CD2 3.99Å; F225-L250 HydrophobicContact CE1-CG 3.85Å; R226-L250 HydrophobicContact CB-CD2 3.99Å; A230-L250 HydrophobicContact CB-CD2 3.97Å; L236-L250 HydrophobicContact CD2-CD1 4.37Å; L250-D254 HydrophobicContact CD2-CB 4.12Å; L250-L258 HydrophobicContact CD1-CD1 4.48Å; L250-L258 HydrophobicContact CD2-CD1 3.85Å; L250-L279 HydrophobicContact CD1-CD2 4.14Å; L250-I282 HydrophobicContact CD1-CD1 4.1Å; L250-S292 PolarHBondContact N-O 3.16Å; L250-I293 HydrophobicContact CB-CD1 4.14Å; L250-I293 HydrophobicContact CD1-CD1 4.22Å; L250-I293 HydrophobicContact CG-CD1 4.31Å; L250-E294 PolarHBondContact O-N 3.13Å; L250-F295 HydrophobicContact CB-CE1 3.97Å
251	R	91.6	Very high	85	Confident	129 Å²	129	67.4 Å²	67.4	49%	0.487	31%	0.309	S	S	.	.			trans	-98.8	166.1	169.8	-65.2	179.5	-179.3	170.3	-2.5	111.1	L253 D254 A255 E294	R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 3.3Å; R251-D254 WeakPolarHBondContact CB-OD2 3.48Å; R251-D254 PolarHBondContact N-OD2 3.08Å; R251-D254 WeakPolarHBondContact O-CA 3.35Å; R251-D254 WeakPolarHBondContact O-CB 3.38Å; R251-D254 PolarHBondContact O-N 3.14Å; R251-A255 PolarHBondContact O-N 3.48Å; R251-A255 VanDerWaalsContact O-N 3.1Å; R251-E294 WeakPolarHBondContact CA-OE2 3.38Å; R251-E294 WeakPolarHBondContact CB-OE2 3.36Å
252	R	87.1	Confident	84.1	Confident	109 Å²	109	67.9 Å²	67.9	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-51.7	-47.3	175.5	-72.7	173.2	-176.4	-166.6	0.5	112.6	D254 A255 Q256 E294 F295	R252-D254 PolarHBondContact O-N 3.26Å; R252-A255 PolarHBondContact O-N 2.86Å; R252-Q256 PolarHBondContact O-N 2.98Å; R252-Q256 VanDerWaalsContact O-N 3.12Å; R252-E294 HydrophobicContact CG-CG 4.41Å; R252-E294 PolarHBondContact N-OE2 2.97Å; R252-F295 HydrophobicContact CG-CB 3.89Å
253	L	86	Confident	82.6	Confident	108 Å²	108	76.8 Å²	76.8	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-66.1	-25.9	178.2	-67	176.3	0	0	0	113	R251 R257	R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 3.3Å; L253-R257 VanDerWaalsContact O-CG 3.32Å; L253-R257 WeakPolarHBondContact O-CG 3.4Å; L253-R257 PolarHBondContact O-N 2.96Å
254	D	90.8	Very high	81.4	Confident	14 Å²	14	78.8 Å²	78.8	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-74	-44	176.5	-57.7	-38	0	0	0	110	R226 L250 R251 R252 Q256 R257 L258	R226-D254 HydrophobicContact CB-CB 4.06Å; R226-D254 WeakPolarHBondContact CD-OD1 3.38Å; R226-D254 WeakPolarHBondContact CD-OD2 3.14Å; L250-D254 HydrophobicContact CD2-CB 4.12Å; R251-D254 WeakPolarHBondContact CB-OD2 3.48Å; R251-D254 PolarHBondContact N-OD2 3.08Å; R251-D254 WeakPolarHBondContact O-CA 3.35Å; R251-D254 WeakPolarHBondContact O-CB 3.38Å; R251-D254 PolarHBondContact O-N 3.14Å; R252-D254 PolarHBondContact O-N 3.26Å; D254-Q256 PolarHBondContact O-N 3.11Å; D254-R257 WeakPolarHBondContact O-CB 3.22Å; D254-R257 PolarHBondContact O-N 3.36Å; D254-R257 VanDerWaalsContact O-N 3.1Å; D254-L258 VanDerWaalsContact O-CG 3.3Å; D254-L258 WeakPolarHBondContact O-CG 3.44Å; D254-L258 PolarHBondContact O-N 3.45Å
255	A	89.2	Confident	80	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-57.9	-46.9	174.4	0	0	0	0	0	111.9	R251 R252 R257 L258 I259 F295 Y309 A311 I325	R251-A255 PolarHBondContact O-N 3.48Å; R251-A255 VanDerWaalsContact O-N 3.1Å; R252-A255 PolarHBondContact O-N 2.86Å; A255-R257 PolarHBondContact O-N 2.95Å; A255-L258 PolarHBondContact O-N 3.44Å; A255-I259 WeakPolarHBondContact O-CG1 3.35Å; A255-I259 PolarHBondContact O-N 2.72Å; A255-F295 HydrophobicContact CB-CD1 4.05Å; A255-F295 HydrophobicContact CB-CE1 3.57Å; A255-F295 HydrophobicContact CB-CZ 3.88Å; A255-Y309 HydrophobicContact CB-CD1 4.49Å; A255-Y309 HydrophobicContact CB-CE1 3.92Å; A255-A311 HydrophobicContact CB-CB 3.89Å; A255-I325 HydrophobicContact CB-CD1 4.33Å
256	Q	87.1	Confident	78.3	Confident	36 Å²	36	80.1 Å²	80.1	17%	0.168	39%	0.393	C	S	.	.	H	α-helix	trans	-54.2	-38.4	174.4	-77.3	-178.1	-12.8	0	0	113.1	R252 D254 R260 A311 H314	R252-Q256 PolarHBondContact O-N 2.98Å; R252-Q256 VanDerWaalsContact O-N 3.12Å; D254-Q256 PolarHBondContact O-N 3.11Å; Q256-R260 WeakPolarHBondContact O-CG 3.47Å; Q256-A311 HydrophobicContact CB-CB 4.4Å; Q256-A311 HydrophobicContact CG-CB 3.72Å; Q256-A311 WeakPolarHBondContact CG-O 3.45Å; Q256-A311 PolarHBondContact NE2-O 3.43Å; Q256-H314 PolarHBondContact NE2-CE1 3.38Å; Q256-H314 PolarHBondContact NE2-NE2 3.14Å
257	R	87.6	Confident	76.5	Confident	167 Å²	167	82.1 Å²	82.1	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-72.1	-37.8	178.1	-71.6	169.9	-179.4	-174.7	-0.2	111.9	L253 D254 A255	L253-R257 VanDerWaalsContact O-CG 3.32Å; L253-R257 WeakPolarHBondContact O-CG 3.4Å; L253-R257 PolarHBondContact O-N 2.96Å; D254-R257 WeakPolarHBondContact O-CB 3.22Å; D254-R257 PolarHBondContact O-N 3.36Å; D254-R257 VanDerWaalsContact O-N 3.1Å; A255-R257 PolarHBondContact O-N 2.95Å
258	L	88.7	Confident	74.6	Confident	26 Å²	26	88.2 Å²	88.2	14%	0.136	44%	0.442	C	S	.	.	H	α-helix	trans	-72	-32.9	-178.4	-69	165.8	0	0	0	112.6	A230 P231 L250 D254 A255 H277 L279	A230-L258 HydrophobicContact CB-CD1 3.81Å; A230-L258 HydrophobicContact CB-CD2 4.13Å; P231-L258 HydrophobicContact CB-CD2 4.17Å; P231-L258 HydrophobicContact CG-CD2 3.87Å; L250-L258 HydrophobicContact CD1-CD1 4.48Å; L250-L258 HydrophobicContact CD2-CD1 3.85Å; D254-L258 VanDerWaalsContact O-CG 3.3Å; D254-L258 WeakPolarHBondContact O-CG 3.44Å; D254-L258 PolarHBondContact O-N 3.45Å; A255-L258 PolarHBondContact O-N 3.44Å; L258-H277 WeakPolarHBondContact O-CB 3.36Å; L258-L279 HydrophobicContact CD1-CD2 3.82Å
259	I	86.4	Confident	72.5	Confident	14 Å²	14	90.1 Å²	90.1	7%	0.072	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.4	-179.7	69.6	165.4	0	0	0	114.3	A255 A311 I325	A255-I259 WeakPolarHBondContact O-CG1 3.35Å; A255-I259 PolarHBondContact O-N 2.72Å; I259-A311 HydrophobicContact CD1-CB 3.43Å; I259-A311 VanDerWaalsContact CD1-CB 3.43Å; I259-A311 HydrophobicContact CG1-CB 4.11Å; I259-I325 HydrophobicContact CG2-CD1 3.87Å; I259-I325 HydrophobicContact CG2-CG1 3.6Å
260	R	80.1	Confident	70.5	Confident	164 Å²	164	100.1 Å²	100.1	62%	0.619	50%	0.504	S	S	*	.	S	Bend	trans	-61.2	132.1	178.3	-89.1	171.7	-172.5	-163.1	-0.4	110	Q256 L262	Q256-R260 WeakPolarHBondContact O-CG 3.47Å; R260-L262 PolarHBondContact O-N 2.96Å
261	P	66.6	Low	68.8	Low	106 Å²	106	103.9 Å²	103.9	69%	0.688	54%	0.542	S	S	*	.			trans	-55.8	129.4	177.8	-22.1	30.3	0	0	0	110.5	K263	P261-K263 PolarHBondContact O-N 2.94Å
262	L	62.1	Low	67.5	Low	132 Å²	132	100.5 Å²	100.5	69%	0.691	54%	0.539	S	S	*	.			trans	-61.8	112.2	173	-76.3	160	0	0	0	108.5	R260 S264	R260-L262 PolarHBondContact O-N 2.96Å; L262-S264 PolarHBondContact O-N 3.01Å
263	K	50.6	Low	66.9	Low	214 Å²	214	98.4 Å²	98.4	93%	0.93	54%	0.539	S	S	*	.	S	Bend	trans	-70.8	72.7	169.5	-79.1	-172.1	176.8	-178.7	0	109.3	P261	P261-K263 PolarHBondContact O-N 2.94Å
264	S	49.8	Very low	66.5	Low	93 Å²	93	96.7 Å²	96.7	65%	0.65	54%	0.54	S	S	*	.			trans	155.4	99.1	162	170.8	0	0	0	0	108.4	L262	L262-S264 PolarHBondContact O-N 3.01Å
265	L	47.7	Very low	66.2	Low	130 Å²	130	97.6 Å²	97.6	68%	0.681	55%	0.545	S	S	*	.			trans	-174.8	53.5	143.8	-94.5	150.5	0	0	0	107.5	A267	L265-A267 PolarHBondContact O-N 3.24Å; L265-A267 VanDerWaalsContact O-N 3.12Å
266	S	41.3	Very low	66	Low	132 Å²	132	99.1 Å²	99.1	92%	0.923	56%	0.555	S	S	*	*			trans	-78.9	29.1	169.3	59.4	0	0	0	0	112.1
267	A	48.2	Very low	66.1	Low	64 Å²	64	97.8 Å²	97.8	53%	0.529	55%	0.549	S	S	.	.			trans	-159	101.6	176	0	0	0	0	0	107.9	L265	L265-A267 PolarHBondContact O-N 3.24Å; L265-A267 VanDerWaalsContact O-N 3.12Å
268	L	48.4	Very low	66.3	Low	151 Å²	151	92 Å²	92	79%	0.791	53%	0.528	S	S	*	.	S	Bend		168.6	127.9	127.1	-84.8	152.5	0	0	0	109.8
269	N	47.1	Very low	66.6	Low	103 Å²	103	90.9 Å²	90.9	55%	0.551	52%	0.522	S	S	*	.			trans	90.5	98.9	174.5	-50.7	-25.8	0	0	0	115.8	G271	N269-G271 PolarHBondContact O-N 2.91Å
270	E	49.7	Very low	67	Low	211 Å²	211	90.2 Å²	90.2	99%	0.986	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	120.7	162	-77.1	178	145	0	0	109.6
271	G	58.9	Low	67.7	Low	78 Å²	78	82.4 Å²	82.4	80%	0.804	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	109	-0.3	167.2	0	0	0	0	0	117.7	N269	N269-G271 PolarHBondContact O-N 2.91Å
272	S	63.3	Low	69.2	Low	59 Å²	59	77.4 Å²	77.4	41%	0.413	46%	0.457	S	S	.	.			trans	-140.9	132.3	171.2	-62.4	0	0	0	0	112.2	S143	S143-S272 WeakPolarHBondContact OG-CB 3.19Å
273	P	75.9	Confident	70.9	Confident	65 Å²	65	71.1 Å²	71.1	42%	0.422	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-66.7	152.6	178.6	28.6	-33.5	0	0	0	111.1	L103 H105	L103-P273 WeakPolarHBondContact O-CG 2.98Å; H105-P273 PolarHBondContact CE1-O 3.44Å; H105-P273 PolarHBondContact NE2-O 2.83Å
274	A	76.4	Confident	73	Confident	71 Å²	71	60.9 Å²	60.9	59%	0.587	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-79.5	150.8	168.3	0	0	0	0	0	109.9
275	L	85.6	Confident	75.1	Confident	33 Å²	33	57.2 Å²	57.2	17%	0.173	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63.7	142.2	173.3	-64	176.5	0	0	0	111	F100 L103 I144 H277 L280	F100-L275 HydrophobicContact CD1-CD2 4.27Å; F100-L275 HydrophobicContact CE1-CD1 4.5Å; F100-L275 HydrophobicContact CE1-CD2 4.13Å; L103-L275 HydrophobicContact CD1-CD2 3.93Å; I144-L275 HydrophobicContact CB-CD1 4.39Å; I144-L275 HydrophobicContact CG1-CD2 4.5Å; I144-L275 HydrophobicContact CG2-CD1 4.1Å; I144-L275 WeakPolarHBondContact O-CD1 3.47Å; L275-H277 VanDerWaalsContact C-N 3.32Å; L275-H277 PolarHBondContact O-N 3.37Å; L275-L280 HydrophobicContact CD1-CD1 3.97Å; L275-L280 HydrophobicContact CD2-CD1 4.06Å
276	P	85.1	Confident	77	Confident	33 Å²	33	52.3 Å²	52.3	21%	0.214	33%	0.329	C	S	.	.	S	Bend	trans	-68.2	-30.7	-175.8	26.1	-34.4	0	0	0	113.4	L103 L280	L103-P276 HydrophobicContact CD1-CG 4.38Å; L103-P276 HydrophobicContact CD2-CG 4.05Å; P276-L280 HydrophobicContact CG-CD2 4.4Å
277	H	89.7	Confident	79.2	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.037	29%	0.292	C	S	.	.			trans	-164.1	171.4	178.1	52.7	74.5	0	0	0	109.4	L258 L275 L279 L280 G324	L258-H277 WeakPolarHBondContact O-CB 3.36Å; L275-H277 VanDerWaalsContact C-N 3.32Å; L275-H277 PolarHBondContact O-N 3.37Å; H277-L279 PolarHBondContact CE1-O 3.03Å; H277-L279 PolarHBondContact ND1-O 3.48Å; H277-L279 VanDerWaalsContact ND1-O 3.09Å; H277-L280 WeakPolarHBondContact O-CD2 3.34Å; H277-G324 PolarHBondContact CE1-O 2.79Å; H277-G324 VanDerWaalsContact CE1-O 3.3Å; H277-G324 PolarHBondContact NE2-O 2.79Å
278	K	90.6	Very high	80.8	Confident	45 Å²	45	46.3 Å²	46.3	20%	0.196	28%	0.28	C	S	.	.	S	Bend	trans	-76.3	-47.2	-177.5	-167.1	75.7	-177.8	-174.6	0	112.2	P146 S182 P231 T233 T234 L280	P146-K278 PolarHBondContact O-NZ 2.82Å; S182-K278 PolarHBondContact O-NZ 3.49Å; P231-K278 WeakPolarHBondContact O-CB 3.42Å; T233-K278 CarbonylContact O-C 3Å; T234-K278 VanDerWaalsContact CA-O 3.29Å; T234-K278 WeakPolarHBondContact CA-O 3.12Å; T234-K278 WeakPolarHBondContact OG1-CE 3.45Å; K278-L280 PolarHBondContact O-N 2.84Å
279	L	94.4	Very high	82.4	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	27%	0.268	C	S	.	.			trans	-78.3	80.5	-175.5	-176.8	62.5	0	0	0	111.7	T233 L236 L250 L258 H277 I282 I325	T233-L279 HydrophobicContact CG2-CD1 3.97Å; T233-L279 WeakPolarHBondContact O-CA 3.44Å; T233-L279 PolarHBondContact O-N 2.76Å; L236-L279 HydrophobicContact CB-CD1 4.32Å; L250-L279 HydrophobicContact CD1-CD2 4.14Å; L258-L279 HydrophobicContact CD1-CD2 3.82Å; H277-L279 PolarHBondContact CE1-O 3.03Å; H277-L279 PolarHBondContact ND1-O 3.48Å; H277-L279 VanDerWaalsContact ND1-O 3.09Å; L279-I282 HydrophobicContact CD1-CG1 4.38Å; L279-I282 HydrophobicContact CD2-CD1 4.32Å; L279-I325 HydrophobicContact CD2-CD1 4.04Å; L279-I325 HydrophobicContact CG-CD1 4.38Å
280	L	94.7	Very high	84.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.254	C	S	.	.			trans	-76.7	-32.2	-174.4	-65.9	-177.8	0	0	0	113.9	F100 L103 T234 L275 P276 H277 K278 L326	F100-L280 HydrophobicContact CD1-CD1 4.31Å; F100-L280 HydrophobicContact CE1-CD1 3.46Å; F100-L280 VanDerWaalsContact CE1-CD1 3.46Å; F100-L280 HydrophobicContact CZ-CD1 3.95Å; L103-L280 HydrophobicContact CD1-CD2 4.11Å; T234-L280 HydrophobicContact CG2-CB 4.49Å; T234-L280 HydrophobicContact CG2-CD1 4.15Å; T234-L280 HydrophobicContact CG2-CG 4.4Å; T234-L280 PolarHBondContact O-N 3.36Å; L275-L280 HydrophobicContact CD1-CD1 3.97Å; L275-L280 HydrophobicContact CD2-CD1 4.06Å; P276-L280 HydrophobicContact CG-CD2 4.4Å; H277-L280 WeakPolarHBondContact O-CD2 3.34Å; K278-L280 PolarHBondContact O-N 2.84Å; L280-L326 WeakPolarHBondContact O-CB 3.49Å; L280-L326 PolarHBondContact O-N 2.98Å
281	A	96.4	Very high	85.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.5	-171.9	0	0	0	0	0	113.7	I92 L96 T234 C235 L236 L326	I92-A281 HydrophobicContact CD1-CB 3.97Å; I92-A281 HydrophobicContact CG1-CB 4.27Å; L96-A281 HydrophobicContact CD2-CB 3.77Å; L96-A281 HydrophobicContact CG-CB 4.4Å; T234-A281 PolarHBondContact O-N 2.72Å; C235-A281 WeakPolarHBondContact CA-O 3.26Å; L236-A281 PolarHBondContact N-O 2.95Å; A281-L326 CarbonylContact C-O 3.48Å; A281-L326 VanDerWaalsContact CA-O 3.24Å; A281-L326 WeakPolarHBondContact CA-O 3.46Å; A281-L326 HydrophobicContact CB-CB 4.02Å; A281-L326 HydrophobicContact CB-CD2 4.33Å
282	I	97.3	Very high	87.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.4	171	-58.9	173.5	0	0	0	108.1	L236 L250 L279 D284 F295 I325 L326 M327 C328	L236-I282 HydrophobicContact CB-CB 4.49Å; L236-I282 HydrophobicContact CB-CG1 4.09Å; L236-I282 HydrophobicContact CB-CG2 4.36Å; L236-I282 HydrophobicContact CD2-CD1 4.5Å; L236-I282 HydrophobicContact CD2-CG1 4.32Å; L236-I282 HydrophobicContact CD2-CG2 4.16Å; L236-I282 HydrophobicContact CG-CG2 4.37Å; L236-I282 CarbonylContact O-C 3.47Å; L236-I282 WeakPolarHBondContact O-CA 3.39Å; L250-I282 HydrophobicContact CD1-CD1 4.1Å; L279-I282 HydrophobicContact CD1-CG1 4.38Å; L279-I282 HydrophobicContact CD2-CD1 4.32Å; I282-D284 HydrophobicContact CG2-CB 4.33Å; I282-F295 HydrophobicContact CD1-CE2 4.26Å; I282-F295 HydrophobicContact CD1-CZ 3.98Å; I282-I325 HydrophobicContact CB-CG2 4.41Å; I282-I325 HydrophobicContact CD1-CD1 4.4Å; I282-I325 HydrophobicContact CD1-CG2 3.92Å; I282-I325 HydrophobicContact CG1-CG2 3.74Å; I282-L326 PolarHBondContact N-O 2.95Å; I282-M327 HydrophobicContact CB-CE 3.97Å; I282-M327 HydrophobicContact CB-SD 3.82Å; I282-M327 HydrophobicContact CD1-CE 4.33Å; I282-M327 HydrophobicContact CD1-SD 4Å; I282-M327 HydrophobicContact CG1-SD 4.26Å; I282-M327 HydrophobicContact CG2-CE 4.05Å; I282-M327 WeakPolarHBondContact O-CA 3.45Å; I282-C328 PolarHBondContact O-N 3.33Å
283	C	97.2	Very high	88.9	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	100.8	163.7	-170.5	0	0	0	0	108.6	G88 I92 L236 N238 I285 C328	G88-C283 PolarHBondContact O-SG 2.91Å; I92-C283 HydrophobicContact CB-CB 3.7Å; I92-C283 HydrophobicContact CD1-CB 3.94Å; I92-C283 HydrophobicContact CG1-CB 3.72Å; I92-C283 HydrophobicContact CG2-CB 4.07Å; L236-C283 PolarHBondContact O-N 3.36Å; N238-C283 PolarHBondContact N-O 2.86Å; C283-I285 PolarHBondContact O-N 2.87Å; C283-C328 CarbonylContact C-O 3.53Å; C283-C328 VanDerWaalsContact CA-O 3.3Å; C283-C328 WeakPolarHBondContact CA-O 3.47Å
284	D	95.9	Very high	89.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	84.8	176.5	-169.1	11.5	0	0	0	111.3	N238 I282 S286 A287 C328 S329	N238-D284 HydrophobicContact CB-CB 4.49Å; N238-D284 PolarHBondContact ND2-OD1 3.23Å; I282-D284 HydrophobicContact CG2-CB 4.33Å; D284-S286 PolarHBondContact O-N 2.81Å; D284-S286 WeakPolarHBondContact OD1-CB 3.25Å; D284-S286 PolarHBondContact OD1-N 2.94Å; D284-S286 PolarHBondContact OD1-OG 2.9Å; D284-A287 PolarHBondContact O-N 2.83Å; D284-C328 PolarHBondContact N-O 3.48Å; D284-S329 WeakPolarHBondContact O-CA 3.36Å
285	I	94.1	Very high	90.1	Very high	16 Å²	16	19.4 Å²	19.4	8%	0.082	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.1	-179.9	-54.4	177.8	0	0	0	111.3	A84 V157 I237 N238 C283 A287 L333	A84-I285 HydrophobicContact CB-CG2 3.76Å; V157-I285 HydrophobicContact CG1-CB 3.79Å; V157-I285 HydrophobicContact CG1-CD1 3.87Å; V157-I285 HydrophobicContact CG1-CG1 4.42Å; V157-I285 HydrophobicContact CG1-CG2 3.44Å; V157-I285 VanDerWaalsContact CG1-CG2 3.44Å; V157-I285 HydrophobicContact CG2-CG2 4.46Å; I237-I285 HydrophobicContact CG2-CD1 3.79Å; N238-I285 WeakPolarHBondContact O-CA 3.33Å; N238-I285 WeakPolarHBondContact O-CB 3.39Å; N238-I285 PolarHBondContact O-N 2.83Å; C283-I285 PolarHBondContact O-N 2.87Å; I285-A287 PolarHBondContact O-N 2.87Å; I285-L333 HydrophobicContact CB-CD1 4.23Å; I285-L333 HydrophobicContact CG1-CD1 4.04Å; I285-L333 HydrophobicContact CG2-CD1 3.8Å
286	S	87.6	Confident	90.2	Very high	27 Å²	27	18.2 Å²	18.2	19%	0.189	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-32.1	172.7	75.2	0	0	0	0	112	N238 D284 D288	N238-S286 PolarHBondContact O-N 2.9Å; D284-S286 PolarHBondContact O-N 2.81Å; D284-S286 WeakPolarHBondContact OD1-CB 3.25Å; D284-S286 PolarHBondContact OD1-N 2.94Å; D284-S286 PolarHBondContact OD1-OG 2.9Å; S286-D288 PolarHBondContact O-N 3.05Å; S286-D288 VanDerWaalsContact O-N 3.12Å
287	A	86	Confident	90	Very high	17 Å²	17	19.9 Å²	19.9	14%	0.14	12%	0.118	C	C	.	.			trans	50.9	30.5	179.9	0	0	0	0	0	113.9	D284 I285 T289 M296 C299 D331	D284-A287 PolarHBondContact O-N 2.83Å; I285-A287 PolarHBondContact O-N 2.87Å; A287-T289 PolarHBondContact O-N 3.48Å; A287-M296 VanDerWaalsContact C-CE 3.44Å; A287-C299 PolarHBondContact O-SG 3.38Å; A287-D331 HydrophobicContact CB-CB 3.93Å
288	D	83.1	Confident	89.6	Confident	52 Å²	52	26.7 Å²	26.7	28%	0.278	15%	0.15	S	C	.	.			trans	-85.2	104.7	176.4	-74.3	-38.7	0	0	0	110.8	S286 G290 G291 M296	S286-D288 PolarHBondContact O-N 3.05Å; S286-D288 VanDerWaalsContact O-N 3.12Å; D288-G290 PolarHBondContact O-N 2.82Å; D288-G291 WeakPolarHBondContact O-CA 3.41Å; D288-G291 PolarHBondContact O-N 3.46Å; D288-M296 WeakPolarHBondContact O-CE 3.44Å
289	T	80.9	Confident	89.4	Confident	89 Å²	89	26.3 Å²	26.3	55%	0.546	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	125.4	179.2	52.5	0	0	0	0	111.5	A287 G291 M296 T297	A287-T289 PolarHBondContact O-N 3.48Å; T289-G291 PolarHBondContact O-N 3.17Å; T289-M296 CarbonylContact C-O 3.56Å; T289-M296 WeakPolarHBondContact CA-O 3.19Å; T289-M296 HydrophobicContact CG2-SD 4.16Å; T289-T297 WeakPolarHBondContact CG2-O 3.48Å
290	G	82.8	Confident	89.2	Confident	24 Å²	24	26.9 Å²	26.9	25%	0.247	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	33.5	-172.3	0	0	0	0	0	112.5	R248 D288 M296	R248-G290 PolarHBondContact NH1-O 3.15Å; R248-G290 PolarHBondContact NH2-O 3.33Å; D288-G290 PolarHBondContact O-N 2.82Å; G290-M296 PolarHBondContact N-O 3.05Å
291	G	88	Confident	89	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-91.4	-135.3	-177.2	0	0	0	0	0	114.7	R248 D288 T289 I293	R248-G291 PolarHBondContact NH1-O 3.23Å; D288-G291 WeakPolarHBondContact O-CA 3.41Å; D288-G291 PolarHBondContact O-N 3.46Å; T289-G291 PolarHBondContact O-N 3.17Å; G291-I293 PolarHBondContact O-N 2.94Å; G291-I293 VanDerWaalsContact O-N 3.12Å
292	S	91.2	Very high	88.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-60.9	-23.7	-178	60.6	0	0	0	0	114.2	N238 L249 L250	N238-S292 PolarHBondContact ND2-OG 2.75Å; L249-S292 PolarHBondContact N-O 2.96Å; L250-S292 PolarHBondContact N-O 3.16Å
293	I	93.8	Very high	88.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-105.6	103.6	167.2	-53.4	-59.6	0	0	0	107.9	L236 L249 L250 G291 F295 M296 M327	L236-I293 HydrophobicContact CD2-CD1 4.11Å; L249-I293 HydrophobicContact CB-CD1 4.17Å; L250-I293 HydrophobicContact CB-CD1 4.14Å; L250-I293 HydrophobicContact CD1-CD1 4.22Å; L250-I293 HydrophobicContact CG-CD1 4.31Å; G291-I293 PolarHBondContact O-N 2.94Å; G291-I293 VanDerWaalsContact O-N 3.12Å; I293-F295 VanDerWaalsContact C-N 3.27Å; I293-F295 HydrophobicContact CG2-CD1 4.18Å; I293-F295 HydrophobicContact CG2-CD2 4Å; I293-F295 HydrophobicContact CG2-CE1 3.75Å; I293-F295 HydrophobicContact CG2-CE2 3.58Å; I293-F295 HydrophobicContact CG2-CG 4.29Å; I293-F295 HydrophobicContact CG2-CZ 3.44Å; I293-F295 VanDerWaalsContact CG2-CZ 3.44Å; I293-F295 PolarHBondContact O-N 3.08Å; I293-M296 HydrophobicContact CB-CB 4.43Å; I293-M296 HydrophobicContact CG2-CB 4.36Å; I293-M296 PolarHBondContact O-N 3.29Å; I293-M327 HydrophobicContact CG2-CE 4.31Å
294	E	90.3	Very high	87.9	Confident	58 Å²	58	45.3 Å²	45.3	27%	0.271	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.3	-167.5	-174.9	-177.9	-148.5	0	0	115	R248 L250 R251 R252	R248-E294 VanDerWaalsContact NH1-CA 3.33Å; L250-E294 PolarHBondContact O-N 3.13Å; R251-E294 WeakPolarHBondContact CA-OE2 3.38Å; R251-E294 WeakPolarHBondContact CB-OE2 3.36Å; R252-E294 HydrophobicContact CG-CG 4.41Å; R252-E294 PolarHBondContact N-OE2 2.97Å
295	F	87.8	Confident	87.6	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.4	-173.7	50.6	-93.6	0	0	0	113.9	L250 R252 A255 I282 I293 T297 Y309 M327	L250-F295 HydrophobicContact CB-CE1 3.97Å; R252-F295 HydrophobicContact CG-CB 3.89Å; A255-F295 HydrophobicContact CB-CD1 4.05Å; A255-F295 HydrophobicContact CB-CE1 3.57Å; A255-F295 HydrophobicContact CB-CZ 3.88Å; I282-F295 HydrophobicContact CD1-CE2 4.26Å; I282-F295 HydrophobicContact CD1-CZ 3.98Å; I293-F295 VanDerWaalsContact C-N 3.27Å; I293-F295 HydrophobicContact CG2-CD1 4.18Å; I293-F295 HydrophobicContact CG2-CD2 4Å; I293-F295 HydrophobicContact CG2-CE1 3.75Å; I293-F295 HydrophobicContact CG2-CE2 3.58Å; I293-F295 HydrophobicContact CG2-CG 4.29Å; I293-F295 HydrophobicContact CG2-CZ 3.44Å; I293-F295 VanDerWaalsContact CG2-CZ 3.44Å; I293-F295 PolarHBondContact O-N 3.08Å; F295-T297 PolarHBondContact O-N 3.1Å; F295-Y309 HydrophobicContact CB-CD2 4.39Å; F295-Y309 HydrophobicContact CB-CE1 3.79Å; F295-Y309 HydrophobicContact CB-CE2 3.67Å; F295-Y309 VanDerWaalsContact CB-OH 3.29Å; F295-Y309 WeakPolarHBondContact CB-OH 3.47Å; F295-Y309 HydrophobicContact CD1-CE1 4.09Å; F295-Y309 AromaticContact CD2-CD1 3.35Å; F295-Y309 HydrophobicContact CD2-CD1 3.35Å; F295-Y309 HydrophobicContact CD2-CD2 4.02Å; F295-Y309 AromaticContact CD2-CE1 3.38Å; F295-Y309 HydrophobicContact CD2-CE1 3.38Å; F295-Y309 HydrophobicContact CD2-CE2 4.06Å; F295-Y309 AromaticContact CD2-CG 3.69Å; F295-Y309 HydrophobicContact CD2-CG 3.69Å; F295-Y309 AromaticContact CD2-CZ 3.76Å; F295-Y309 AromaticContact CE2-CD1 3.61Å; F295-Y309 HydrophobicContact CE2-CD1 3.61Å; F295-Y309 AromaticContact CE2-CE1 3.91Å; F295-Y309 HydrophobicContact CE2-CE1 3.91Å; F295-Y309 HydrophobicContact CE2-CG 4.15Å; F295-Y309 AromaticContact CG-CD1 3.98Å; F295-Y309 HydrophobicContact CG-CD1 3.98Å; F295-Y309 AromaticContact CG-CE1 3.47Å; F295-Y309 HydrophobicContact CG-CE1 3.47Å; F295-Y309 VanDerWaalsContact CG-CE1 3.47Å; F295-Y309 HydrophobicContact CG-CE2 4.16Å; F295-Y309 HydrophobicContact CG-CG 4.5Å; F295-Y309 AromaticContact CG-CZ 3.59Å; F295-Y309 HydrophobicContact CZ-CD1 4.42Å; F295-Y309 HydrophobicContact CZ-CE1 4.46Å; F295-M327 HydrophobicContact CE2-CE 4.04Å; F295-M327 HydrophobicContact CE2-SD 3.97Å
296	M	87.5	Confident	87.6	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.034	26%	0.258	C	S	.	.			trans	-77.5	90.9	169.6	-168	-82.4	-80.5	0	0	108.1	A287 D288 T289 G290 I293 M327	A287-M296 VanDerWaalsContact C-CE 3.44Å; D288-M296 WeakPolarHBondContact O-CE 3.44Å; T289-M296 CarbonylContact C-O 3.56Å; T289-M296 WeakPolarHBondContact CA-O 3.19Å; T289-M296 HydrophobicContact CG2-SD 4.16Å; G290-M296 PolarHBondContact N-O 3.05Å; I293-M296 HydrophobicContact CB-CB 4.43Å; I293-M296 HydrophobicContact CG2-CB 4.36Å; I293-M296 PolarHBondContact O-N 3.29Å; M296-M327 HydrophobicContact CB-CE 4.49Å
297	T	79.7	Confident	87.8	Confident	68 Å²	68	45.9 Å²	45.9	42%	0.417	25%	0.253	S	S	.	.			trans	-87.6	-25.4	-176.8	42.4	0	0	0	0	113	T289 F295	T289-T297 WeakPolarHBondContact CG2-O 3.48Å; F295-T297 PolarHBondContact O-N 3.1Å
298	E	81.5	Confident	88	Confident	151 Å²	151	45 Å²	45	71%	0.706	25%	0.246	S	C	*	.	S	Bend	trans	-138.1	148.1	179.9	-62.4	-173.1	173.9	0	0	110.6	S329	E298-S329 PolarHBondContact O-OG 3.4Å
299	C	87.4	Confident	88.3	Confident	38 Å²	38	42.9 Å²	42.9	26%	0.257	23%	0.234	S	C	.	.			trans	-82.4	136.4	175.1	-65.7	0	0	0	0	110.3	A287 S329 D331	A287-C299 PolarHBondContact O-SG 3.38Å; C299-S329 WeakPolarHBondContact CA-O 3.47Å; C299-S329 WeakPolarHBondContact CB-O 3.46Å; C299-D331 HydrophobicContact CB-CB 4.45Å
300	T	90.2	Very high	88.4	Confident	14 Å²	14	39.3 Å²	39.3	9%	0.086	21%	0.212	C	C	.	.			trans	-69.6	161.7	169.4	62.6	0	0	0	0	110.8	K304 P305 S329 I330	T300-K304 VanDerWaalsContact CB-O 3.31Å; T300-K304 WeakPolarHBondContact CB-O 3.14Å; T300-P305 WeakPolarHBondContact CB-O 3.2Å; T300-P305 PolarHBondContact OG1-O 3.06Å; T300-S329 PolarHBondContact N-O 2.81Å; T300-S329 PolarHBondContact N-OG 3.15Å; T300-S329 VanDerWaalsContact N-OG 3.12Å; T300-S329 PolarHBondContact OG1-N 3.03Å; T300-I330 WeakPolarHBondContact O-CA 3.23Å; T300-I330 WeakPolarHBondContact OG1-CG1 3.28Å; T300-I330 PolarHBondContact OG1-N 2.81Å
301	T	90.7	Very high	88.3	Confident	68 Å²	68	38.1 Å²	38.1	42%	0.417	20%	0.2	S	C	.	.			trans	-114.6	167.5	-178.8	68.4	0	0	0	0	111.2	D303 K304 P305	T301-D303 PolarHBondContact O-N 3.39Å; T301-K304 PolarHBondContact N-O 3.33Å; T301-K304 VanDerWaalsContact N-O 3.12Å; T301-K304 CarbonylContact O-C 3.35Å; T301-K304 PolarHBondContact O-N 3.39Å; T301-K304 VanDerWaalsContact O-O 3.13Å; T301-K304 PolarHBondContact OG1-N 3.09Å; T301-P305 WeakPolarHBondContact O-CA 3.34Å
302	I	89.8	Confident	87.6	Confident	44 Å²	44	43.2 Å²	43.2	23%	0.226	23%	0.227	C	C	.	.	S	Bend	trans	-59.2	-36.8	174.9	-62.8	175.5	0	0	0	111.1	I330 N332 Q336	I302-I330 HydrophobicContact CG1-CG2 4.06Å; I302-N332 WeakPolarHBondContact CD1-OD1 3.31Å; I302-Q336 HydrophobicContact CD1-CG 3.77Å; I302-Q336 HydrophobicContact CG1-CG 4.04Å; I302-Q336 HydrophobicContact CG2-CG 4.42Å
303	D	87.6	Confident	86.5	Confident	153 Å²	153	48.8 Å²	48.8	82%	0.818	25%	0.253	S	S	*	.	S	Bend	trans	-75.5	-32.2	179.5	-59.5	-40.3	0	0	0	112.9	T301	T301-D303 PolarHBondContact O-N 3.39Å
304	K	90.5	Very high	85.2	Confident	122 Å²	122	53.4 Å²	53.4	53%	0.53	27%	0.274	S	S	.	.	S	Bend	trans	-125.5	74.9	175.4	-68	-172.6	175.7	-170.2	0	109.7	T300 T301 F306 D318	T300-K304 VanDerWaalsContact CB-O 3.31Å; T300-K304 WeakPolarHBondContact CB-O 3.14Å; T301-K304 PolarHBondContact N-O 3.33Å; T301-K304 VanDerWaalsContact N-O 3.12Å; T301-K304 CarbonylContact O-C 3.35Å; T301-K304 PolarHBondContact O-N 3.39Å; T301-K304 VanDerWaalsContact O-O 3.13Å; T301-K304 PolarHBondContact OG1-N 3.09Å; K304-F306 VanDerWaalsContact C-N 3.32Å; K304-F306 PolarHBondContact O-N 3Å; K304-D318 IonicContact NZ-OD2 2.65Å; K304-D318 PolarHBondContact NZ-OD2 3.16Å
305	P	90.2	Very high	84.2	Confident	22 Å²	22	54.4 Å²	54.4	14%	0.143	28%	0.281	C	S	.	.			trans	-75.6	-18	-166.3	28.1	-35.9	0	0	0	114.7	M114 T300 T301 C328 I330	M114-P305 HydrophobicContact CE-CB 3.4Å; M114-P305 VanDerWaalsContact CE-CB 3.4Å; M114-P305 HydrophobicContact CE-CG 3.67Å; M114-P305 HydrophobicContact SD-CB 4.37Å; M114-P305 HydrophobicContact SD-CG 4.22Å; T300-P305 WeakPolarHBondContact CB-O 3.2Å; T300-P305 PolarHBondContact OG1-O 3.06Å; T301-P305 WeakPolarHBondContact O-CA 3.34Å; P305-C328 PolarHBondContact O-SG 3.16Å; P305-C328 VanDerWaalsContact O-SG 3.32Å; P305-I330 HydrophobicContact CB-CD1 3.84Å
306	F	93.3	Very high	83.4	Confident	19 Å²	19	56.9 Å²	56.9	8%	0.083	29%	0.294	C	S	.	.			trans	-132	143	-175.8	-48.7	-67.4	0	0	0	112.1	N91 H94 L98 M114 K304 V320 L326 M327 C328	N91-F306 WeakPolarHBondContact O-CE1 3.37Å; N91-F306 WeakPolarHBondContact O-CZ 3.35Å; H94-F306 AromaticContact CD2-CE2 3.76Å; H94-F306 AromaticContact CD2-CZ 3.98Å; L98-F306 HydrophobicContact CD1-CD2 4.25Å; L98-F306 HydrophobicContact CD1-CE2 4.13Å; M114-F306 HydrophobicContact CE-CZ 4.38Å; M114-F306 HydrophobicContact SD-CE2 3.77Å; M114-F306 HydrophobicContact SD-CZ 3.62Å; K304-F306 VanDerWaalsContact C-N 3.32Å; K304-F306 PolarHBondContact O-N 3Å; F306-V320 HydrophobicContact CB-CG1 4.29Å; F306-L326 HydrophobicContact CB-CD1 3.81Å; F306-L326 HydrophobicContact CB-CG 4.43Å; F306-L326 HydrophobicContact CD1-CD1 4.5Å; F306-L326 HydrophobicContact CD1-CD2 4.16Å; F306-L326 HydrophobicContact CD1-CG 4.32Å; F306-L326 HydrophobicContact CG-CD1 4.29Å; F306-M327 WeakPolarHBondContact CA-O 3.46Å; F306-C328 HydrophobicContact CD1-CB 3.91Å; F306-C328 HydrophobicContact CE1-CB 4.01Å
307	C	91.4	Very high	82.8	Confident	14 Å²	14	59.9 Å²	59.9	10%	0.095	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	161.1	163	61.5	0	0	0	0	109.8	D316 H317 M327	C307-D316 HydrophobicContact CB-CB 4.41Å; C307-H317 WeakPolarHBondContact CA-O 3.32Å; C307-H317 WeakPolarHBondContact CB-O 3.19Å; C307-M327 PolarHBondContact N-O 2.98Å; C307-M327 PolarHBondContact O-N 3.27Å
308	I	91.2	Very high	82.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.8	171.7	-73.4	-76.1	0	0	0	108.8	R99 D310 D316 H317 S319 L326	R99-I308 VanDerWaalsContact CZ-CD1 3.44Å; I308-D310 PolarHBondContact O-N 3.1Å; I308-D316 WeakPolarHBondContact O-CA 3.21Å; I308-H317 HydrophobicContact CB-CB 4.47Å; I308-H317 PolarHBondContact N-O 2.88Å; I308-H317 PolarHBondContact O-N 3.3Å; I308-S319 WeakPolarHBondContact CB-O 3.39Å; I308-S319 WeakPolarHBondContact CG1-O 3.05Å; I308-L326 HydrophobicContact CD1-CB 4.11Å; I308-L326 HydrophobicContact CD1-CD1 4.01Å; I308-L326 HydrophobicContact CG1-CD1 4.47Å
309	Y	88.4	Confident	81.9	Confident	6 Å²	6	57.2 Å²	57.2	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.6	171.2	179.2	-111.1	0	0	0	110.2	A255 F295 A311 D316 G324 I325	A255-Y309 HydrophobicContact CB-CD1 4.49Å; A255-Y309 HydrophobicContact CB-CE1 3.92Å; F295-Y309 HydrophobicContact CB-CD2 4.39Å; F295-Y309 HydrophobicContact CB-CE1 3.79Å; F295-Y309 HydrophobicContact CB-CE2 3.67Å; F295-Y309 VanDerWaalsContact CB-OH 3.29Å; F295-Y309 WeakPolarHBondContact CB-OH 3.47Å; F295-Y309 HydrophobicContact CD1-CE1 4.09Å; F295-Y309 AromaticContact CD2-CD1 3.35Å; F295-Y309 HydrophobicContact CD2-CD1 3.35Å; F295-Y309 HydrophobicContact CD2-CD2 4.02Å; F295-Y309 AromaticContact CD2-CE1 3.38Å; F295-Y309 HydrophobicContact CD2-CE1 3.38Å; F295-Y309 HydrophobicContact CD2-CE2 4.06Å; F295-Y309 AromaticContact CD2-CG 3.69Å; F295-Y309 HydrophobicContact CD2-CG 3.69Å; F295-Y309 AromaticContact CD2-CZ 3.76Å; F295-Y309 AromaticContact CE2-CD1 3.61Å; F295-Y309 HydrophobicContact CE2-CD1 3.61Å; F295-Y309 AromaticContact CE2-CE1 3.91Å; F295-Y309 HydrophobicContact CE2-CE1 3.91Å; F295-Y309 HydrophobicContact CE2-CG 4.15Å; F295-Y309 AromaticContact CG-CD1 3.98Å; F295-Y309 HydrophobicContact CG-CD1 3.98Å; F295-Y309 AromaticContact CG-CE1 3.47Å; F295-Y309 HydrophobicContact CG-CE1 3.47Å; F295-Y309 VanDerWaalsContact CG-CE1 3.47Å; F295-Y309 HydrophobicContact CG-CE2 4.16Å; F295-Y309 HydrophobicContact CG-CG 4.5Å; F295-Y309 AromaticContact CG-CZ 3.59Å; F295-Y309 HydrophobicContact CZ-CD1 4.42Å; F295-Y309 HydrophobicContact CZ-CE1 4.46Å; Y309-A311 HydrophobicContact CD1-CB 4.12Å; Y309-A311 HydrophobicContact CE1-CB 3.5Å; Y309-D316 WeakPolarHBondContact CD2-OD1 3.4Å; Y309-G324 WeakPolarHBondContact O-CA 3.42Å; Y309-I325 PolarHBondContact N-O 3.15Å; Y309-I325 PolarHBondContact O-N 3.18Å
310	D	84.2	Confident	81.3	Confident	14 Å²	14	57.2 Å²	57.2	8%	0.075	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.3	168.1	-175.9	-25.2	0	0	0	108.9	I308 D312 Q313 H314 I315	I308-D310 PolarHBondContact O-N 3.1Å; D310-D312 VanDerWaalsContact C-N 3.29Å; D310-D312 PolarHBondContact O-N 3.06Å; D310-D312 WeakPolarHBondContact OD1-CA 3.44Å; D310-D312 WeakPolarHBondContact OD1-CB 3.38Å; D310-D312 PolarHBondContact OD1-N 3.49Å; D310-Q313 HydrophobicContact CB-CB 4.35Å; D310-Q313 PolarHBondContact OD1-N 2.85Å; D310-Q313 WeakPolarHBondContact OD2-CG 3.44Å; D310-Q313 PolarHBondContact OD2-NE2 2.76Å; D310-H314 VanDerWaalsContact O-CA 3.28Å; D310-H314 WeakPolarHBondContact O-CA 3.42Å; D310-H314 PolarHBondContact O-N 2.98Å; D310-I315 PolarHBondContact N-O 2.99Å; D310-I315 PolarHBondContact O-N 3.49Å
311	A	79.3	Confident	80.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.9	-177.9	0	0	0	0	0	113.6	A255 Q256 I259 Y309 H314	A255-A311 HydrophobicContact CB-CB 3.89Å; Q256-A311 HydrophobicContact CB-CB 4.4Å; Q256-A311 HydrophobicContact CG-CB 3.72Å; Q256-A311 WeakPolarHBondContact CG-O 3.45Å; Q256-A311 PolarHBondContact NE2-O 3.43Å; I259-A311 HydrophobicContact CD1-CB 3.43Å; I259-A311 VanDerWaalsContact CD1-CB 3.43Å; I259-A311 HydrophobicContact CG1-CB 4.11Å; Y309-A311 HydrophobicContact CD1-CB 4.12Å; Y309-A311 HydrophobicContact CE1-CB 3.5Å; A311-H314 PolarHBondContact O-CE1 2.73Å; A311-H314 PolarHBondContact O-ND1 3.18Å; A311-H314 VanDerWaalsContact O-ND1 3.13Å
312	D	73.4	Confident	79.8	Confident	107 Å²	107	61.7 Å²	61.7	57%	0.572	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-40.8	179	-73.8	-26	0	0	0	111.1	D310	D310-D312 VanDerWaalsContact C-N 3.29Å; D310-D312 PolarHBondContact O-N 3.06Å; D310-D312 WeakPolarHBondContact OD1-CA 3.44Å; D310-D312 WeakPolarHBondContact OD1-CB 3.38Å; D310-D312 PolarHBondContact OD1-N 3.49Å
313	Q	67.4	Low	79.3	Confident	118 Å²	118	65.4 Å²	65.4	55%	0.551	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-17.7	177.6	-66	-177.4	63.5	0	0	113.5	D310 I315	D310-Q313 HydrophobicContact CB-CB 4.35Å; D310-Q313 PolarHBondContact OD1-N 2.85Å; D310-Q313 WeakPolarHBondContact OD2-CG 3.44Å; D310-Q313 PolarHBondContact OD2-NE2 2.76Å; Q313-I315 VanDerWaalsContact C-N 3.3Å; Q313-I315 HydrophobicContact CB-CB 4.43Å; Q313-I315 HydrophobicContact CB-CD1 4.11Å; Q313-I315 HydrophobicContact CB-CG1 4.2Å
314	H	67.8	Low	79.3	Confident	96 Å²	96	58.1 Å²	58.1	44%	0.444	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	40.3	-173.2	-54	-56.6	0	0	0	113	Q256 D310 A311	Q256-H314 PolarHBondContact NE2-CE1 3.38Å; Q256-H314 PolarHBondContact NE2-NE2 3.14Å; D310-H314 VanDerWaalsContact O-CA 3.28Å; D310-H314 WeakPolarHBondContact O-CA 3.42Å; D310-H314 PolarHBondContact O-N 2.98Å; A311-H314 PolarHBondContact O-CE1 2.73Å; A311-H314 PolarHBondContact O-ND1 3.18Å; A311-H314 VanDerWaalsContact O-ND1 3.13Å
315	I	69	Low	79.4	Confident	80 Å²	80	52.3 Å²	52.3	41%	0.41	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.3	-178.7	-61.9	171.9	0	0	0	108.5	D310 Q313	D310-I315 PolarHBondContact N-O 2.99Å; D310-I315 PolarHBondContact O-N 3.49Å; Q313-I315 VanDerWaalsContact C-N 3.3Å; Q313-I315 HydrophobicContact CB-CB 4.43Å; Q313-I315 HydrophobicContact CB-CD1 4.11Å; Q313-I315 HydrophobicContact CB-CG1 4.2Å
316	D	71.8	Confident	79.7	Confident	53 Å²	53	51.2 Å²	51.2	28%	0.283	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.2	165.6	-67	-47.9	0	0	0	109.1	C307 I308 Y309	C307-D316 HydrophobicContact CB-CB 4.41Å; I308-D316 WeakPolarHBondContact O-CA 3.21Å; Y309-D316 WeakPolarHBondContact CD2-OD1 3.4Å
317	H	74.4	Confident	79.7	Confident	70 Å²	70	50.5 Å²	50.5	32%	0.324	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.4	175.4	-64.6	-67.8	0	0	0	110.5	C307 I308 S319	C307-H317 WeakPolarHBondContact CA-O 3.32Å; C307-H317 WeakPolarHBondContact CB-O 3.19Å; I308-H317 HydrophobicContact CB-CB 4.47Å; I308-H317 PolarHBondContact N-O 2.88Å; I308-H317 PolarHBondContact O-N 3.3Å; H317-S319 PolarHBondContact O-N 2.83Å
318	D	70.1	Confident	79.9	Confident	119 Å²	119	49.9 Å²	49.9	64%	0.636	27%	0.268	S	S	*	.	S	Bend	trans	-72	48.8	169.8	-82.8	1.1	0	0	0	111.2	K304	K304-D318 IonicContact NZ-OD2 2.65Å; K304-D318 PolarHBondContact NZ-OD2 3.16Å
319	S	72.6	Confident	80.1	Confident	44 Å²	44	50 Å²	50	31%	0.308	27%	0.268	S	S	.	.	S	Bend	trans	-146.6	153.4	177.6	-178.4	0	0	0	0	109.1	I308 H317 E321	I308-S319 WeakPolarHBondContact CB-O 3.39Å; I308-S319 WeakPolarHBondContact CG1-O 3.05Å; H317-S319 PolarHBondContact O-N 2.83Å; S319-E321 VanDerWaalsContact C-N 3.34Å; S319-E321 WeakPolarHBondContact OG-CB 3.42Å; S319-E321 PolarHBondContact OG-N 2.88Å
320	V	74.6	Confident	80.2	Confident	38 Å²	38	49.8 Å²	49.8	23%	0.23	27%	0.267	C	S	.	.	S	Bend	trans	-90.7	-4.1	169.5	-63.2	0	0	0	0	112.2	L98 R99 A102 F306 L326	L98-V320 HydrophobicContact CB-CG1 4.44Å; L98-V320 HydrophobicContact CB-CG2 4.44Å; L98-V320 HydrophobicContact CD1-CG1 4.48Å; R99-V320 PolarHBondContact NH1-O 3.06Å; A102-V320 HydrophobicContact CB-CG2 4.33Å; F306-V320 HydrophobicContact CB-CG1 4.29Å; V320-L326 HydrophobicContact CB-CD1 4.37Å; V320-L326 HydrophobicContact CG1-CD1 3.95Å
321	E	74.1	Confident	80.2	Confident	130 Å²	130	54 Å²	54	61%	0.607	29%	0.29	S	S	*	.			trans	-91.2	159.4	177.6	-57.8	-179.2	176.7	0	0	111.8	A102 S319	A102-E321 HydrophobicContact CB-CG 4.07Å; S319-E321 VanDerWaalsContact C-N 3.34Å; S319-E321 WeakPolarHBondContact OG-CB 3.42Å; S319-E321 PolarHBondContact OG-N 2.88Å
322	G	74.9	Confident	80.6	Confident	46 Å²	46	57.3 Å²	57.3	47%	0.474	31%	0.308	S	S	.	.	S	Bend	trans	99.3	175	176.1	0	0	0	0	0	115.2	R99	R99-G322 PolarHBondContact NH1-O 3.2Å; R99-G322 PolarHBondContact NH2-O 3.24Å
323	N	78.4	Confident	81.4	Confident	122 Å²	122	52.3 Å²	52.3	65%	0.652	28%	0.281	S	S	*	.	S	Bend	trans	-80.2	126.9	179	-75.6	-23.4	0	0	0	110.1
324	G	88.8	Confident	82.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	152.1	-172.7	-179.7	0	0	0	0	0	113.3	R99 H277 Y309	R99-G324 PolarHBondContact NH2-O 3.44Å; H277-G324 PolarHBondContact CE1-O 2.79Å; H277-G324 VanDerWaalsContact CE1-O 3.3Å; H277-G324 PolarHBondContact NE2-O 2.79Å; Y309-G324 WeakPolarHBondContact O-CA 3.42Å
325	I	92.8	Very high	83.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.4	-179.8	-54.6	176.2	0	0	0	108.4	A255 I259 L279 I282 Y309 M327	A255-I325 HydrophobicContact CB-CD1 4.33Å; I259-I325 HydrophobicContact CG2-CD1 3.87Å; I259-I325 HydrophobicContact CG2-CG1 3.6Å; L279-I325 HydrophobicContact CD2-CD1 4.04Å; L279-I325 HydrophobicContact CG-CD1 4.38Å; I282-I325 HydrophobicContact CB-CG2 4.41Å; I282-I325 HydrophobicContact CD1-CD1 4.4Å; I282-I325 HydrophobicContact CD1-CG2 3.92Å; I282-I325 HydrophobicContact CG1-CG2 3.74Å; Y309-I325 PolarHBondContact N-O 3.15Å; Y309-I325 PolarHBondContact O-N 3.18Å; I325-M327 HydrophobicContact CB-SD 4.4Å; I325-M327 HydrophobicContact CG2-SD 3.97Å; I325-M327 PolarHBondContact O-N 3.44Å
326	L	94.9	Very high	84.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.5	173.5	-173.9	80.9	0	0	0	109.5	I92 G95 R99 L280 A281 I282 F306 I308 V320	I92-L326 HydrophobicContact CD1-CD2 4.35Å; G95-L326 VanDerWaalsContact C-CD2 3.47Å; G95-L326 WeakPolarHBondContact O-CD2 3.48Å; R99-L326 HydrophobicContact CB-CD2 4.2Å; R99-L326 HydrophobicContact CG-CB 4.49Å; L280-L326 WeakPolarHBondContact O-CB 3.49Å; L280-L326 PolarHBondContact O-N 2.98Å; A281-L326 CarbonylContact C-O 3.48Å; A281-L326 VanDerWaalsContact CA-O 3.24Å; A281-L326 WeakPolarHBondContact CA-O 3.46Å; A281-L326 HydrophobicContact CB-CB 4.02Å; A281-L326 HydrophobicContact CB-CD2 4.33Å; I282-L326 PolarHBondContact N-O 2.95Å; F306-L326 HydrophobicContact CB-CD1 3.81Å; F306-L326 HydrophobicContact CB-CG 4.43Å; F306-L326 HydrophobicContact CD1-CD1 4.5Å; F306-L326 HydrophobicContact CD1-CD2 4.16Å; F306-L326 HydrophobicContact CD1-CG 4.32Å; F306-L326 HydrophobicContact CG-CD1 4.29Å; I308-L326 HydrophobicContact CD1-CB 4.11Å; I308-L326 HydrophobicContact CD1-CD1 4.01Å; I308-L326 HydrophobicContact CG1-CD1 4.47Å; V320-L326 HydrophobicContact CB-CD1 4.37Å; V320-L326 HydrophobicContact CG1-CD1 3.95Å
327	M	94.7	Very high	85.5	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.2	179.9	-59.5	-58.2	-63.3	0	0	110.5	I282 I293 F295 M296 F306 C307 I325	I282-M327 HydrophobicContact CB-CE 3.97Å; I282-M327 HydrophobicContact CB-SD 3.82Å; I282-M327 HydrophobicContact CD1-CE 4.33Å; I282-M327 HydrophobicContact CD1-SD 4Å; I282-M327 HydrophobicContact CG1-SD 4.26Å; I282-M327 HydrophobicContact CG2-CE 4.05Å; I282-M327 WeakPolarHBondContact O-CA 3.45Å; I293-M327 HydrophobicContact CG2-CE 4.31Å; F295-M327 HydrophobicContact CE2-CE 4.04Å; F295-M327 HydrophobicContact CE2-SD 3.97Å; M296-M327 HydrophobicContact CB-CE 4.49Å; F306-M327 WeakPolarHBondContact CA-O 3.46Å; C307-M327 PolarHBondContact N-O 2.98Å; C307-M327 PolarHBondContact O-N 3.27Å; I325-M327 HydrophobicContact CB-SD 4.4Å; I325-M327 HydrophobicContact CG2-SD 3.97Å; I325-M327 PolarHBondContact O-N 3.44Å
328	C	95.5	Very high	86.1	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	114	168	-172	0	0	0	0	109.4	I92 I282 C283 D284 P305 F306	I92-C328 HydrophobicContact CD1-CB 3.91Å; I282-C328 PolarHBondContact O-N 3.33Å; C283-C328 CarbonylContact C-O 3.53Å; C283-C328 VanDerWaalsContact CA-O 3.3Å; C283-C328 WeakPolarHBondContact CA-O 3.47Å; D284-C328 PolarHBondContact N-O 3.48Å; P305-C328 PolarHBondContact O-SG 3.16Å; P305-C328 VanDerWaalsContact O-SG 3.32Å; F306-C328 HydrophobicContact CD1-CB 3.91Å; F306-C328 HydrophobicContact CE1-CB 4.01Å
329	S	93.9	Very high	87	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.007	23%	0.228	C	C	.	.			trans	-139.7	49.5	-171.9	52.6	0	0	0	0	112.1	D284 E298 C299 T300 D331	D284-S329 WeakPolarHBondContact O-CA 3.36Å; E298-S329 PolarHBondContact O-OG 3.4Å; C299-S329 WeakPolarHBondContact CA-O 3.47Å; C299-S329 WeakPolarHBondContact CB-O 3.46Å; T300-S329 PolarHBondContact N-O 2.81Å; T300-S329 PolarHBondContact N-OG 3.15Å; T300-S329 VanDerWaalsContact N-OG 3.12Å; T300-S329 PolarHBondContact OG1-N 3.03Å; S329-D331 PolarHBondContact O-N 3.22Å
330	I	90.8	Very high	87.8	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	22%	0.218	C	C	.	.			trans	-72.8	123.5	-178.9	-56.9	172.2	0	0	0	110.3	T300 I302 P305 N332 L333	T300-I330 WeakPolarHBondContact O-CA 3.23Å; T300-I330 WeakPolarHBondContact OG1-CG1 3.28Å; T300-I330 PolarHBondContact OG1-N 2.81Å; I302-I330 HydrophobicContact CG1-CG2 4.06Å; P305-I330 HydrophobicContact CB-CD1 3.84Å; I330-N332 VanDerWaalsContact C-N 3.34Å; I330-N332 WeakPolarHBondContact CG2-OD1 3.46Å; I330-N332 PolarHBondContact O-N 2.89Å; I330-L333 HydrophobicContact CB-CD2 3.86Å; I330-L333 HydrophobicContact CB-CG 3.85Å; I330-L333 HydrophobicContact CD1-CD2 4.16Å; I330-L333 HydrophobicContact CG1-CD2 4.5Å; I330-L333 HydrophobicContact CG2-CD2 4.27Å; I330-L333 HydrophobicContact CG2-CG 4.18Å; I330-L333 WeakPolarHBondContact O-CD1 3.38Å; I330-L333 WeakPolarHBondContact O-CG 3.5Å
331	D	85.1	Confident	88.5	Confident	102 Å²	102	35.7 Å²	35.7	55%	0.545	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.7	-174.9	71.6	-22.5	0	0	0	114.3	A287 C299 S329	A287-D331 HydrophobicContact CB-CB 3.93Å; C299-D331 HydrophobicContact CB-CB 4.45Å; S329-D331 PolarHBondContact O-N 3.22Å
332	N	86.8	Confident	89.2	Confident	70 Å²	70	34 Å²	34	37%	0.374	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	30.6	-178.3	67.7	3.3	0	0	0	113.4	I302 I330 P334 A335	I302-N332 WeakPolarHBondContact CD1-OD1 3.31Å; I330-N332 VanDerWaalsContact C-N 3.34Å; I330-N332 WeakPolarHBondContact CG2-OD1 3.46Å; I330-N332 PolarHBondContact O-N 2.89Å; N332-P334 VanDerWaalsContact C-N 3.33Å; N332-P334 VanDerWaalsContact O-N 3.11Å; N332-A335 WeakPolarHBondContact O-CB 3.41Å; N332-A335 PolarHBondContact O-N 3.01Å
333	L	90.1	Very high	89.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-42.4	-44.7	179.9	-79.3	164.6	0	0	0	115.8	A84 A87 N91 I285 I330 A335 Q336	A84-L333 HydrophobicContact CB-CB 4.22Å; A87-L333 HydrophobicContact CB-CB 4.18Å; A87-L333 HydrophobicContact CB-CD2 4.24Å; A87-L333 WeakPolarHBondContact CB-O 3.33Å; N91-L333 WeakPolarHBondContact ND2-CD2 3.33Å; I285-L333 HydrophobicContact CB-CD1 4.23Å; I285-L333 HydrophobicContact CG1-CD1 4.04Å; I285-L333 HydrophobicContact CG2-CD1 3.8Å; I330-L333 HydrophobicContact CB-CD2 3.86Å; I330-L333 HydrophobicContact CB-CG 3.85Å; I330-L333 HydrophobicContact CD1-CD2 4.16Å; I330-L333 HydrophobicContact CG1-CD2 4.5Å; I330-L333 HydrophobicContact CG2-CD2 4.27Å; I330-L333 HydrophobicContact CG2-CG 4.18Å; I330-L333 WeakPolarHBondContact O-CD1 3.38Å; I330-L333 WeakPolarHBondContact O-CG 3.5Å; L333-A335 PolarHBondContact O-N 2.84Å; L333-A335 VanDerWaalsContact O-N 3.09Å; L333-Q336 WeakPolarHBondContact O-CB 3.32Å; L333-Q336 PolarHBondContact O-N 2.8Å
334	P	89.2	Confident	90.3	Very high	18 Å²	18	33 Å²	33	12%	0.117	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-57	-25.7	178.4	-23.9	32.5	0	0	0	114.4	F80 W83 A84 N332 Q336 L337 A341	F80-P334 HydrophobicContact CB-CB 4.18Å; F80-P334 HydrophobicContact CB-CG 3.62Å; F80-P334 HydrophobicContact CD1-CB 4.1Å; F80-P334 HydrophobicContact CD1-CG 4.43Å; F80-P334 HydrophobicContact CG-CB 4.4Å; F80-P334 HydrophobicContact CG-CG 4.25Å; W83-P334 HydrophobicContact CB-CB 4.39Å; A84-P334 HydrophobicContact CB-CG 3.88Å; N332-P334 VanDerWaalsContact C-N 3.33Å; N332-P334 VanDerWaalsContact O-N 3.11Å; P334-Q336 PolarHBondContact O-N 2.74Å; P334-L337 CarbonylContact O-C 3.45Å; P334-L337 PolarHBondContact O-N 2.97Å; P334-A341 HydrophobicContact CB-CB 3.97Å; P334-A341 WeakPolarHBondContact O-CB 3.45Å
335	A	89.5	Confident	90.3	Very high	58 Å²	58	34 Å²	34	48%	0.479	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-65.2	-18.1	178.3	0	0	0	0	0	113	N332 L333 L337 P338	N332-A335 WeakPolarHBondContact O-CB 3.41Å; N332-A335 PolarHBondContact O-N 3.01Å; L333-A335 PolarHBondContact O-N 2.84Å; L333-A335 VanDerWaalsContact O-N 3.09Å; A335-L337 VanDerWaalsContact C-N 3.28Å; A335-P338 WeakPolarHBondContact O-CD 3.27Å
336	Q	91.9	Very high	90.1	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.023	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-78.3	-13.2	174.9	-61.2	-172.3	61.7	0	0	113	N91 A115 H116 I302 L333 P334 P338	N91-Q336 PolarHBondContact ND2-NE2 2.83Å; N91-Q336 PolarHBondContact ND2-OE1 2.76Å; A115-Q336 HydrophobicContact CB-CB 3.88Å; H116-Q336 HydrophobicContact CB-CB 4.06Å; H116-Q336 HydrophobicContact CB-CG 4.09Å; H116-Q336 PolarHBondContact ND1-OE1 3.32Å; I302-Q336 HydrophobicContact CD1-CG 3.77Å; I302-Q336 HydrophobicContact CG1-CG 4.04Å; I302-Q336 HydrophobicContact CG2-CG 4.42Å; L333-Q336 WeakPolarHBondContact O-CB 3.32Å; L333-Q336 PolarHBondContact O-N 2.8Å; P334-Q336 PolarHBondContact O-N 2.74Å; Q336-P338 VanDerWaalsContact C-CD 3.44Å
337	L	92.1	Very high	89.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	-125.9	63.9	172.8	-63.3	173	0	0	0	109.2	W83 V86 A87 I90 P334 A335 I339 A341	W83-L337 HydrophobicContact CE3-CD1 3.9Å; W83-L337 HydrophobicContact CZ3-CD1 4.37Å; V86-L337 HydrophobicContact CB-CD1 4.14Å; V86-L337 HydrophobicContact CG1-CD1 3.56Å; A87-L337 HydrophobicContact CB-CD1 4.09Å; A87-L337 HydrophobicContact CB-CG 4.42Å; I90-L337 HydrophobicContact CD1-CD1 4.48Å; P334-L337 CarbonylContact O-C 3.45Å; P334-L337 PolarHBondContact O-N 2.97Å; A335-L337 VanDerWaalsContact C-N 3.28Å; L337-I339 VanDerWaalsContact C-N 3.32Å; L337-I339 PolarHBondContact O-N 2.62Å; L337-A341 WeakPolarHBondContact O-CB 3.42Å; L337-A341 PolarHBondContact O-N 3.14Å
338	P	88.4	Confident	89.8	Confident	73 Å²	73	45.7 Å²	45.7	47%	0.474	25%	0.253	S	S	.	.	H	α-helix	trans	-68.9	-28.3	-163.5	27.1	-35.2	0	0	0	113.4	A335 Q336 T342	A335-P338 WeakPolarHBondContact O-CD 3.27Å; Q336-P338 VanDerWaalsContact C-CD 3.44Å; P338-T342 WeakPolarHBondContact O-CB 3.08Å; P338-T342 PolarHBondContact O-N 2.73Å; P338-T342 VanDerWaalsContact O-N 3.1Å; P338-T342 PolarHBondContact O-OG1 2.79Å
339	I	88	Confident	89.6	Confident	86 Å²	86	46 Å²	46	44%	0.441	25%	0.254	S	S	.	.	H	α-helix	trans	-68.3	-58.2	179.4	-64.5	173	0	0	0	108.8	L337 A341 T342 E343	L337-I339 VanDerWaalsContact C-N 3.32Å; L337-I339 PolarHBondContact O-N 2.62Å; I339-A341 PolarHBondContact O-N 2.86Å; I339-T342 PolarHBondContact O-N 3.4Å; I339-T342 VanDerWaalsContact O-N 3.17Å; I339-E343 WeakPolarHBondContact O-CG 3.42Å; I339-E343 PolarHBondContact O-N 3.37Å
340	E	90.3	Very high	89.5	Confident	21 Å²	21	51.8 Å²	51.8	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-38.7	-175	-63.7	84.2	172.4	0	0	112.1	W83 N120 V121 T342 Y344	W83-E340 HydrophobicContact CD2-CB 3.88Å; W83-E340 HydrophobicContact CE3-CB 3.87Å; W83-E340 HydrophobicContact CH2-CB 3.5Å; W83-E340 VanDerWaalsContact CH2-CB 3.5Å; W83-E340 HydrophobicContact CH2-CG 3.7Å; W83-E340 HydrophobicContact CZ2-CB 3.5Å; W83-E340 VanDerWaalsContact CZ2-CB 3.5Å; W83-E340 HydrophobicContact CZ2-CG 4.13Å; W83-E340 HydrophobicContact CZ3-CB 3.67Å; W83-E340 HydrophobicContact CZ3-CG 3.94Å; W83-E340 PolarHBondContact NE1-O 2.92Å; N120-E340 WeakPolarHBondContact CA-OE1 3.34Å; N120-E340 VanDerWaalsContact CB-OE1 3.31Å; N120-E340 WeakPolarHBondContact CB-OE1 3.39Å; V121-E340 HydrophobicContact CB-CG 4.41Å; V121-E340 HydrophobicContact CG1-CG 4.06Å; V121-E340 PolarHBondContact N-OE1 3.31Å; E340-T342 VanDerWaalsContact C-N 3.34Å; E340-Y344 WeakPolarHBondContact O-CB 3.49Å; E340-Y344 PolarHBondContact O-N 3Å
341	A	89	Confident	89.7	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-39.8	174.5	0	0	0	0	0	112	F80 W83 P334 L337 I339 F345	F80-A341 HydrophobicContact CD1-CB 4.37Å; F80-A341 HydrophobicContact CE1-CB 4.49Å; W83-A341 HydrophobicContact CB-CB 4.34Å; W83-A341 HydrophobicContact CG-CB 4.42Å; P334-A341 HydrophobicContact CB-CB 3.97Å; P334-A341 WeakPolarHBondContact O-CB 3.45Å; L337-A341 WeakPolarHBondContact O-CB 3.42Å; L337-A341 PolarHBondContact O-N 3.14Å; I339-A341 PolarHBondContact O-N 2.86Å; A341-F345 VanDerWaalsContact O-CB 3.24Å; A341-F345 WeakPolarHBondContact O-CB 3.14Å; A341-F345 PolarHBondContact O-N 3.28Å
342	T	87.4	Confident	90.1	Very high	95 Å²	95	53 Å²	53	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-70.7	-45.9	178.9	-61.5	0	0	0	0	111.6	P338 I339 E340 F345 G346	P338-T342 WeakPolarHBondContact O-CB 3.08Å; P338-T342 PolarHBondContact O-N 2.73Å; P338-T342 VanDerWaalsContact O-N 3.1Å; P338-T342 PolarHBondContact O-OG1 2.79Å; I339-T342 PolarHBondContact O-N 3.4Å; I339-T342 VanDerWaalsContact O-N 3.17Å; E340-T342 VanDerWaalsContact C-N 3.34Å; T342-F345 PolarHBondContact O-N 3.04Å; T342-G346 WeakPolarHBondContact O-CA 3.36Å; T342-G346 PolarHBondContact O-N 2.92Å
343	E	88.4	Confident	90.5	Very high	116 Å²	116	51 Å²	51	54%	0.542	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-49.1	176.8	-72.3	176.9	166.7	0	0	110.4	I339 F345 G346 D347	I339-E343 WeakPolarHBondContact O-CG 3.42Å; I339-E343 PolarHBondContact O-N 3.37Å; E343-F345 PolarHBondContact O-N 2.77Å; E343-G346 PolarHBondContact O-N 3.41Å; E343-D347 VanDerWaalsContact O-CB 3.29Å; E343-D347 WeakPolarHBondContact O-CB 3.29Å; E343-D347 PolarHBondContact O-N 2.88Å
344	Y	88.1	Confident	90.5	Very high	30 Å²	30	58.5 Å²	58.5	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-45.6	179.6	-176.9	-83.7	0	0	0	113.3	A79 W83 E340 R348	A79-Y344 VanDerWaalsContact O-CE1 3.23Å; A79-Y344 WeakPolarHBondContact O-CE1 3.48Å; W83-Y344 AromaticContact CD1-CG 3.9Å; W83-Y344 VanDerWaalsContact NE1-CB 3.27Å; W83-Y344 AromaticContact NE1-CD2 3.64Å; W83-Y344 AromaticContact NE1-CG 3.51Å; E340-Y344 WeakPolarHBondContact O-CB 3.49Å; E340-Y344 PolarHBondContact O-N 3Å; Y344-R348 VanDerWaalsContact CD2-NH1 3.28Å; Y344-R348 VanDerWaalsContact CZ-NE 3.31Å; Y344-R348 WeakPolarHBondContact O-CD 3.42Å; Y344-R348 PolarHBondContact OH-NE 3.14Å
345	F	89.1	Confident	90.7	Very high	23 Å²	23	59.7 Å²	59.7	10%	0.101	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-47.5	179	178.8	-86.2	0	0	0	111.1	F39 Y66 V78 F80 A341 T342 E343 R348 L349	F39-F345 AromaticContact CE2-CE2 3.92Å; F39-F345 HydrophobicContact CE2-CE2 3.92Å; F39-F345 HydrophobicContact CZ-CE2 4.35Å; Y66-F345 HydrophobicContact CD2-CE2 4.33Å; Y66-F345 HydrophobicContact CD2-CZ 4.01Å; Y66-F345 AromaticContact CE2-CZ 3.75Å; Y66-F345 HydrophobicContact CE2-CZ 3.75Å; V78-F345 HydrophobicContact CG1-CD2 3.44Å; V78-F345 VanDerWaalsContact CG1-CD2 3.44Å; V78-F345 HydrophobicContact CG1-CE1 4.48Å; V78-F345 HydrophobicContact CG1-CE2 3.06Å; V78-F345 HydrophobicContact CG1-CG 4.31Å; V78-F345 HydrophobicContact CG1-CZ 3.65Å; F80-F345 HydrophobicContact CD1-CB 4.42Å; F80-F345 HydrophobicContact CD1-CD2 4.4Å; F80-F345 HydrophobicContact CD2-CD2 4.23Å; F80-F345 HydrophobicContact CE1-CB 3.62Å; F80-F345 AromaticContact CE1-CD2 3.66Å; F80-F345 HydrophobicContact CE1-CD2 3.66Å; F80-F345 AromaticContact CE1-CG 3.83Å; F80-F345 HydrophobicContact CE1-CG 3.83Å; F80-F345 AromaticContact CE2-CD2 3.46Å; F80-F345 HydrophobicContact CE2-CD2 3.46Å; F80-F345 VanDerWaalsContact CE2-CD2 3.46Å; F80-F345 AromaticContact CE2-CE2 3.62Å; F80-F345 HydrophobicContact CE2-CE2 3.62Å; F80-F345 HydrophobicContact CE2-CG 4.33Å; F80-F345 HydrophobicContact CZ-CB 3.91Å; F80-F345 HydrophobicContact CZ-CD1 4.37Å; F80-F345 AromaticContact CZ-CD2 3.12Å; F80-F345 HydrophobicContact CZ-CD2 3.12Å; F80-F345 AromaticContact CZ-CE2 3.63Å; F80-F345 HydrophobicContact CZ-CE2 3.63Å; F80-F345 AromaticContact CZ-CG 3.56Å; F80-F345 HydrophobicContact CZ-CG 3.56Å; F80-F345 HydrophobicContact CZ-CZ 4.45Å; A341-F345 VanDerWaalsContact O-CB 3.24Å; A341-F345 WeakPolarHBondContact O-CB 3.14Å; A341-F345 PolarHBondContact O-N 3.28Å; T342-F345 PolarHBondContact O-N 3.04Å; E343-F345 PolarHBondContact O-N 2.77Å; F345-R348 PolarHBondContact O-N 2.87Å; F345-L349 HydrophobicContact CD1-CD2 4.45Å; F345-L349 HydrophobicContact CE1-CB 4.37Å; F345-L349 HydrophobicContact CE1-CD2 3.52Å; F345-L349 HydrophobicContact CZ-CD2 3.89Å; F345-L349 WeakPolarHBondContact O-CB 3.39Å; F345-L349 PolarHBondContact O-N 2.86Å
346	G	89.6	Confident	90.9	Very high	30 Å²	30	56.9 Å²	56.9	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-50.5	-179.1	0	0	0	0	0	111.8	T342 E343 R348 L349 F350	T342-G346 WeakPolarHBondContact O-CA 3.36Å; T342-G346 PolarHBondContact O-N 2.92Å; E343-G346 PolarHBondContact O-N 3.41Å; G346-R348 PolarHBondContact O-N 2.88Å; G346-L349 PolarHBondContact O-N 3.23Å; G346-F350 WeakPolarHBondContact O-CB 3.44Å; G346-F350 PolarHBondContact O-N 3.05Å
347	D	90.8	Very high	91	Very high	119 Å²	119	60.2 Å²	60.2	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-30.6	-178.6	-71.8	-12.9	0	0	0	112.9	E343 P351	E343-D347 VanDerWaalsContact O-CB 3.29Å; E343-D347 WeakPolarHBondContact O-CB 3.29Å; E343-D347 PolarHBondContact O-N 2.88Å; D347-P351 VanDerWaalsContact O-CD 3.27Å; D347-P351 WeakPolarHBondContact O-CD 3.4Å
348	R	91.1	Very high	91	Very high	99 Å²	99	66.8 Å²	66.8	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-83.8	-33.8	179	-78.3	166.7	164.7	72.6	3.1	113.4	I77 Y344 F345 G346 Y352	I77-R348 VanDerWaalsContact O-CD 3.31Å; I77-R348 WeakPolarHBondContact O-CD 3.23Å; Y344-R348 VanDerWaalsContact CD2-NH1 3.28Å; Y344-R348 VanDerWaalsContact CZ-NE 3.31Å; Y344-R348 WeakPolarHBondContact O-CD 3.42Å; Y344-R348 PolarHBondContact OH-NE 3.14Å; F345-R348 PolarHBondContact O-N 2.87Å; G346-R348 PolarHBondContact O-N 2.88Å; R348-Y352 WeakPolarHBondContact O-CD2 3.38Å; R348-Y352 WeakPolarHBondContact O-CE2 3.39Å
349	L	92.5	Very high	91.2	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-83	-38.1	179.5	-179.4	61.8	0	0	0	111.9	V20 Y66 M69 V78 F345 G346 P351 Y352 I353 M356	V20-L349 HydrophobicContact CG1-CD2 4.42Å; Y66-L349 HydrophobicContact CD1-CD1 4.18Å; Y66-L349 HydrophobicContact CE1-CD1 3.69Å; Y66-L349 HydrophobicContact CE1-CD2 4.01Å; M69-L349 HydrophobicContact CE-CD1 4.42Å; M69-L349 HydrophobicContact SD-CD1 4.25Å; V78-L349 HydrophobicContact CG2-CB 4.21Å; V78-L349 HydrophobicContact CG2-CD1 4.14Å; F345-L349 HydrophobicContact CD1-CD2 4.45Å; F345-L349 HydrophobicContact CE1-CB 4.37Å; F345-L349 HydrophobicContact CE1-CD2 3.52Å; F345-L349 HydrophobicContact CZ-CD2 3.89Å; F345-L349 WeakPolarHBondContact O-CB 3.39Å; F345-L349 PolarHBondContact O-N 2.86Å; G346-L349 PolarHBondContact O-N 3.23Å; L349-P351 VanDerWaalsContact C-N 3.34Å; L349-Y352 PolarHBondContact O-N 3.27Å; L349-I353 HydrophobicContact CD1-CD1 4.33Å; L349-I353 HydrophobicContact CD2-CD1 4.04Å; L349-I353 HydrophobicContact CG-CD1 3.85Å; L349-I353 HydrophobicContact CG-CG1 4.12Å; L349-I353 PolarHBondContact O-N 3.25Å; L349-M356 HydrophobicContact CD1-CE 4.05Å; L349-M356 HydrophobicContact CD1-SD 4.49Å
350	F	92.5	Very high	91.4	Very high	122 Å²	122	62 Å²	62	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-51	-40.1	-173.1	-173.3	-103	0	0	0	114.9	G346 Y352 I353 W354	G346-F350 WeakPolarHBondContact O-CB 3.44Å; G346-F350 PolarHBondContact O-N 3.05Å; F350-Y352 PolarHBondContact O-N 2.92Å; F350-Y352 VanDerWaalsContact O-N 3.15Å; F350-I353 PolarHBondContact O-N 3.42Å; F350-W354 HydrophobicContact CZ-CZ2 4.19Å; F350-W354 AromaticContact CZ-NE1 3.94Å
351	P	93.5	Very high	91.5	Very high	80 Å²	80	61.1 Å²	61.1	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-29.2	176.8	-26.2	36.2	0	0	0	114.1	D347 L349	D347-P351 VanDerWaalsContact O-CD 3.27Å; D347-P351 WeakPolarHBondContact O-CD 3.4Å; L349-P351 VanDerWaalsContact C-N 3.34Å
352	Y	94.4	Very high	91.6	Very high	49 Å²	49	64.9 Å²	64.9	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-94.8	-14.7	-176.6	-54.5	-84.3	0	0	0	113	M69 I77 R348 L349 F350 W354 E355 M356 Q373 V374	M69-Y352 HydrophobicContact CE-CD1 4.17Å; M69-Y352 HydrophobicContact CE-CD2 3.78Å; M69-Y352 HydrophobicContact CE-CE2 4.35Å; M69-Y352 HydrophobicContact CE-CG 3.68Å; I77-Y352 HydrophobicContact CD1-CE2 4.5Å; I77-Y352 HydrophobicContact CG2-CE2 3.71Å; R348-Y352 WeakPolarHBondContact O-CD2 3.38Å; R348-Y352 WeakPolarHBondContact O-CE2 3.39Å; L349-Y352 PolarHBondContact O-N 3.27Å; F350-Y352 PolarHBondContact O-N 2.92Å; F350-Y352 VanDerWaalsContact O-N 3.15Å; Y352-W354 PolarHBondContact O-N 3.45Å; Y352-E355 WeakPolarHBondContact CD1-OE1 3.35Å; Y352-E355 WeakPolarHBondContact O-CG 3.44Å; Y352-E355 PolarHBondContact O-N 3.19Å; Y352-M356 VanDerWaalsContact O-CG 3.3Å; Y352-M356 WeakPolarHBondContact O-CG 3.13Å; Y352-M356 PolarHBondContact O-N 3.06Å; Y352-M356 VanDerWaalsContact O-N 3.15Å; Y352-Q373 HydrophobicContact CD1-CB 4.33Å; Y352-Q373 HydrophobicContact CE1-CB 3.71Å; Y352-Q373 HydrophobicContact CE1-CG 3.97Å; Y352-V374 HydrophobicContact CD1-CG2 3.94Å; Y352-V374 HydrophobicContact CG-CG2 4.3Å
353	I	93.8	Very high	91.9	Very high	30 Å²	30	64.9 Å²	64.9	15%	0.154	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-36	-179.5	-70.1	-64	0	0	0	111.5	V20 L349 F350 E355 M356 L357	V20-I353 HydrophobicContact CG2-CD1 4.42Å; L349-I353 HydrophobicContact CD1-CD1 4.33Å; L349-I353 HydrophobicContact CD2-CD1 4.04Å; L349-I353 HydrophobicContact CG-CD1 3.85Å; L349-I353 HydrophobicContact CG-CG1 4.12Å; L349-I353 PolarHBondContact O-N 3.25Å; F350-I353 PolarHBondContact O-N 3.42Å; I353-E355 PolarHBondContact O-N 3Å; I353-M356 HydrophobicContact CD1-SD 4.37Å; I353-M356 PolarHBondContact O-N 3.23Å; I353-L357 HydrophobicContact CG2-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CG 3.99Å; I353-L357 WeakPolarHBondContact O-CB 3.47Å; I353-L357 VanDerWaalsContact O-CG 3.22Å; I353-L357 WeakPolarHBondContact O-CG 3.24Å; I353-L357 PolarHBondContact O-N 3.11Å
354	W	91.3	Very high	92	Very high	160 Å²	160	61.6 Å²	61.6	61%	0.606	31%	0.309	S	S	*	.	H	α-helix	trans	-64.4	-40.5	-178.1	-64.7	110.4	0	0	0	113.6	F350 Y352 L357 L358	F350-W354 HydrophobicContact CZ-CZ2 4.19Å; F350-W354 AromaticContact CZ-NE1 3.94Å; Y352-W354 PolarHBondContact O-N 3.45Å; W354-L357 HydrophobicContact CE3-CD1 3.97Å; W354-L357 HydrophobicContact CZ3-CD1 4.2Å; W354-L358 WeakPolarHBondContact O-CG 3.23Å
355	E	92.6	Very high	92.2	Very high	42 Å²	42	61.1 Å²	61.1	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-74.6	-36	174.8	59.9	176.3	172.6	0	0	111.8	Y352 I353 L357 L358 S371 V374	Y352-E355 WeakPolarHBondContact CD1-OE1 3.35Å; Y352-E355 WeakPolarHBondContact O-CG 3.44Å; Y352-E355 PolarHBondContact O-N 3.19Å; I353-E355 PolarHBondContact O-N 3Å; E355-L357 VanDerWaalsContact C-N 3.29Å; E355-L357 PolarHBondContact O-N 3.16Å; E355-L358 PolarHBondContact O-N 3.38Å; E355-S371 WeakPolarHBondContact OE1-CB 3.38Å; E355-S371 PolarHBondContact OE1-OG 2.88Å; E355-S371 WeakPolarHBondContact OE2-CB 3.47Å; E355-S371 PolarHBondContact OE2-N 3.34Å; E355-S371 PolarHBondContact OE2-OG 2.64Å; E355-V374 HydrophobicContact CG-CG2 4.3Å; E355-V374 WeakPolarHBondContact OE1-CG2 3.46Å
356	M	94.8	Very high	92.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-34.8	175	-63.5	-180	-173.3	0	0	112.5	L18 A37 I64 M69 L349 Y352 I353 L358 S359 V374	L18-M356 HydrophobicContact CD1-CB 4.04Å; L18-M356 HydrophobicContact CD2-CB 3.57Å; L18-M356 HydrophobicContact CG-CB 4.43Å; A37-M356 HydrophobicContact CB-SD 4.19Å; I64-M356 HydrophobicContact CD1-CB 4.28Å; I64-M356 HydrophobicContact CD1-CG 3.74Å; I64-M356 HydrophobicContact CD1-SD 4.1Å; I64-M356 HydrophobicContact CG2-CE 4.1Å; M69-M356 HydrophobicContact CE-CE 3.7Å; M69-M356 HydrophobicContact SD-CE 3.67Å; L349-M356 HydrophobicContact CD1-CE 4.05Å; L349-M356 HydrophobicContact CD1-SD 4.49Å; Y352-M356 VanDerWaalsContact O-CG 3.3Å; Y352-M356 WeakPolarHBondContact O-CG 3.13Å; Y352-M356 PolarHBondContact O-N 3.06Å; Y352-M356 VanDerWaalsContact O-N 3.15Å; I353-M356 HydrophobicContact CD1-SD 4.37Å; I353-M356 PolarHBondContact O-N 3.23Å; M356-L358 VanDerWaalsContact C-N 3.29Å; M356-L358 PolarHBondContact O-N 2.74Å; M356-S359 WeakPolarHBondContact O-CB 3.3Å; M356-S359 PolarHBondContact O-N 2.84Å; M356-V374 HydrophobicContact CE-CG1 4.33Å; M356-V374 HydrophobicContact CE-CG2 3.61Å; M356-V374 HydrophobicContact CG-CG1 4.19Å; M356-V374 HydrophobicContact CG-CG2 4.44Å
357	L	93.4	Very high	92.2	Very high	74 Å²	74	71.3 Å²	71.3	39%	0.387	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-30.3	178.5	-81.8	167.5	0	0	0	112.9	L18 I353 W354 E355 S359	L18-L357 HydrophobicContact CB-CD2 4.1Å; L18-L357 HydrophobicContact CD2-CD2 4.14Å; L18-L357 HydrophobicContact CD2-CG 4.09Å; I353-L357 HydrophobicContact CG2-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CG 3.99Å; I353-L357 WeakPolarHBondContact O-CB 3.47Å; I353-L357 VanDerWaalsContact O-CG 3.22Å; I353-L357 WeakPolarHBondContact O-CG 3.24Å; I353-L357 PolarHBondContact O-N 3.11Å; W354-L357 HydrophobicContact CE3-CD1 3.97Å; W354-L357 HydrophobicContact CZ3-CD1 4.2Å; E355-L357 VanDerWaalsContact C-N 3.29Å; E355-L357 PolarHBondContact O-N 3.16Å; L357-S359 VanDerWaalsContact C-N 3.28Å
358	L	91.6	Very high	92.2	Very high	141 Å²	141	66.8 Å²	66.8	74%	0.738	33%	0.328	S	S	*	.	H	α-helix	trans	-80.3	-11.9	178.9	-65.4	172.9	0	0	0	112.8	W354 E355 M356 D360	W354-L358 WeakPolarHBondContact O-CG 3.23Å; E355-L358 PolarHBondContact O-N 3.38Å; M356-L358 VanDerWaalsContact C-N 3.29Å; M356-L358 PolarHBondContact O-N 2.74Å; L358-D360 PolarHBondContact O-N 2.71Å
359	S	93	Very high	92.2	Very high	4 Å²	4	70.9 Å²	70.9	3%	0.028	35%	0.351	C	S	.	.			trans	-61	123	-180	178.9	0	0	0	0	112.3	T35 R62 M356 L357	T35-S359 WeakPolarHBondContact OG1-CB 3.29Å; T35-S359 PolarHBondContact OG1-O 2.74Å; T35-S359 PolarHBondContact OG1-OG 2.69Å; R62-S359 WeakPolarHBondContact CD-OG 3.2Å; R62-S359 PolarHBondContact NH1-OG 2.89Å; M356-S359 WeakPolarHBondContact O-CB 3.3Å; M356-S359 PolarHBondContact O-N 2.84Å; L357-S359 VanDerWaalsContact C-N 3.28Å
360	D	92.6	Very high	92.2	Very high	54 Å²	54	71.6 Å²	71.6	29%	0.289	35%	0.354	S	S	.	.			trans	-107.6	102.8	170.4	-175.5	-8.4	0	0	0	109.9	R62 L358 T362 K363 E368	R62-D360 PolarHBondContact NH1-O 3.23Å; R62-D360 PolarHBondContact NH2-O 3.06Å; R62-D360 VanDerWaalsContact NH2-O 3.12Å; L358-D360 PolarHBondContact O-N 2.71Å; D360-T362 VanDerWaalsContact CG-OG1 3.24Å; D360-T362 PolarHBondContact O-N 2.89Å; D360-T362 VanDerWaalsContact O-N 3.09Å; D360-T362 WeakPolarHBondContact OD1-CB 3.41Å; D360-T362 PolarHBondContact OD1-N 2.66Å; D360-T362 PolarHBondContact OD1-OG1 3.39Å; D360-T362 PolarHBondContact OD2-OG1 2.97Å; D360-K363 HydrophobicContact CB-CD 4.14Å; D360-K363 HydrophobicContact CB-CG 4.24Å; D360-K363 PolarHBondContact O-N 3.07Å; D360-K363 VanDerWaalsContact O-N 3.09Å; D360-K363 VanDerWaalsContact OD2-CE 3.32Å; D360-K363 WeakPolarHBondContact OD2-CE 3.28Å; D360-K363 IonicContact OD2-NZ 2.67Å; D360-E368 WeakPolarHBondContact CA-OE1 3.33Å; D360-E368 WeakPolarHBondContact CB-OE1 3.41Å; D360-E368 PolarHBondContact N-OE1 3.46Å; D360-E368 VanDerWaalsContact O-OE1 3.04Å
361	A	92.4	Very high	92.3	Very high	2 Å²	2	67 Å²	67	2%	0.017	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.1	-178.4	0	0	0	0	0	113.5	K34 R62 N382	K34-A361 WeakPolarHBondContact O-CB 3.19Å; R62-A361 HydrophobicContact CB-CB 3.88Å; A361-N382 PolarHBondContact O-ND2 3.14Å
362	T	91.3	Very high	92.2	Very high	84 Å²	84	67.2 Å²	67.2	52%	0.515	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.5	175.1	71.3	0	0	0	0	113	R33 D360	R33-T362 HydrophobicContact CB-CG2 4.08Å; D360-T362 VanDerWaalsContact CG-OG1 3.24Å; D360-T362 PolarHBondContact O-N 2.89Å; D360-T362 VanDerWaalsContact O-N 3.09Å; D360-T362 WeakPolarHBondContact OD1-CB 3.41Å; D360-T362 PolarHBondContact OD1-N 2.66Å; D360-T362 PolarHBondContact OD1-OG1 3.39Å; D360-T362 PolarHBondContact OD2-OG1 2.97Å
363	K	92.6	Very high	92.2	Very high	96 Å²	96	66.8 Å²	66.8	42%	0.417	34%	0.338	S	S	.	.	S	Bend	trans	-85.4	160.2	177.7	-65.1	-179.3	-172.4	165.3	0	111.7	R62 D360 N382	R62-K363 PolarHBondContact NH2-O 3.46Å; D360-K363 HydrophobicContact CB-CD 4.14Å; D360-K363 HydrophobicContact CB-CG 4.24Å; D360-K363 PolarHBondContact O-N 3.07Å; D360-K363 VanDerWaalsContact O-N 3.09Å; D360-K363 VanDerWaalsContact OD2-CE 3.32Å; D360-K363 WeakPolarHBondContact OD2-CE 3.28Å; D360-K363 IonicContact OD2-NZ 2.67Å; K363-N382 PolarHBondContact O-ND2 3.15Å; K363-N382 PolarHBondContact O-OD1 3.33Å
364	S	92.1	Very high	92.3	Very high	46 Å²	46	65.4 Å²	65.4	32%	0.322	33%	0.331	S	S	.	.			trans	-65.2	142.2	173.1	178.1	0	0	0	0	111	N366 E367	S364-N366 PolarHBondContact O-N 3.22Å; S364-N366 PolarHBondContact OG-N 2.92Å; S364-E367 WeakPolarHBondContact O-CB 3.36Å; S364-E367 PolarHBondContact O-N 3Å
365	L	91.4	Very high	92.5	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.11	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.3	175	-177.6	58.5	0	0	0	113.6	F370 R375 I378 T386	L365-F370 HydrophobicContact CD1-CD2 4.05Å; L365-F370 HydrophobicContact CD1-CE2 3.89Å; L365-R375 PolarHBondContact O-NH1 2.68Å; L365-I378 HydrophobicContact CD1-CD1 3.52Å; L365-I378 HydrophobicContact CD2-CG2 4.32Å; L365-T386 HydrophobicContact CD2-CG2 3.69Å
366	N	89.6	Confident	92.5	Very high	130 Å²	130	62.4 Å²	62.4	70%	0.695	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.1	177	-67.9	-27.3	0	0	0	113.8	S364 E368 R375	S364-N366 PolarHBondContact O-N 3.22Å; S364-N366 PolarHBondContact OG-N 2.92Å; N366-E368 VanDerWaalsContact C-N 3.35Å; N366-R375 PolarHBondContact OD1-NH2 2.71Å; N366-R375 VanDerWaalsContact OD1-NH2 3.08Å
367	E	89.5	Confident	92.5	Very high	136 Å²	136	62.4 Å²	62.4	64%	0.636	32%	0.322	S	S	*	.	S	Bend	trans	-90.2	-6.4	177.5	-64.7	170.7	-159.7	0	0	112.3	S364	S364-E367 WeakPolarHBondContact O-CB 3.36Å; S364-E367 PolarHBondContact O-N 3Å
368	E	90.8	Very high	92.7	Very high	24 Å²	24	58.9 Å²	58.9	11%	0.112	30%	0.304	C	S	.	.	S	Bend	trans	-102.9	136.7	-176.4	-64.9	-80.9	-162.5	0	0	111.1	R62 D360 N366 F370 R375	R62-E368 IonicContact NH1-OE1 2.72Å; R62-E368 PolarHBondContact NH1-OE1 3.34Å; D360-E368 WeakPolarHBondContact CA-OE1 3.33Å; D360-E368 WeakPolarHBondContact CB-OE1 3.41Å; D360-E368 PolarHBondContact N-OE1 3.46Å; D360-E368 VanDerWaalsContact O-OE1 3.04Å; N366-E368 VanDerWaalsContact C-N 3.35Å; E368-F370 HydrophobicContact CB-CD2 4.03Å; E368-F370 HydrophobicContact CB-CE2 3.52Å; E368-F370 HydrophobicContact CB-CZ 4.11Å; E368-F370 HydrophobicContact CG-CE2 4.22Å; E368-R375 PolarHBondContact O-NH1 2.72Å
369	E	89.8	Confident	92.9	Very high	186 Å²	186	52.2 Å²	52.2	87%	0.869	27%	0.269	S	S	*	.			trans	-95.8	109.6	175.5	-68.3	-171.3	174.9	0	0	110
370	F	93.9	Very high	93.1	Very high	23 Å²	23	52 Å²	52	10%	0.101	27%	0.267	C	S	.	.			trans	-124.2	146.3	172.9	-66.2	-62	0	0	0	110.2	L365 E368 V374 R375 I378	L365-F370 HydrophobicContact CD1-CD2 4.05Å; L365-F370 HydrophobicContact CD1-CE2 3.89Å; E368-F370 HydrophobicContact CB-CD2 4.03Å; E368-F370 HydrophobicContact CB-CE2 3.52Å; E368-F370 HydrophobicContact CB-CZ 4.11Å; E368-F370 HydrophobicContact CG-CE2 4.22Å; F370-V374 HydrophobicContact CB-CB 4.35Å; F370-V374 HydrophobicContact CB-CG1 4.38Å; F370-V374 HydrophobicContact CD1-CB 4.45Å; F370-V374 HydrophobicContact CD1-CG1 3.79Å; F370-V374 HydrophobicContact CE1-CG1 4.34Å; F370-V374 HydrophobicContact CG-CG1 4.14Å; F370-R375 HydrophobicContact CB-CB 3.88Å; F370-I378 HydrophobicContact CD2-CD1 3.73Å; F370-I378 HydrophobicContact CE2-CD1 3.73Å; F370-I378 HydrophobicContact CG-CD1 4.45Å; F370-I378 HydrophobicContact CZ-CD1 4.45Å
371	S	94	Very high	93.2	Very high	25 Å²	25	49.8 Å²	49.8	18%	0.175	26%	0.256	C	S	.	.			trans	-55.5	151.2	162.9	74.3	0	0	0	0	110.7	E355 Q373 V374 R375	E355-S371 WeakPolarHBondContact OE1-CB 3.38Å; E355-S371 PolarHBondContact OE1-OG 2.88Å; E355-S371 WeakPolarHBondContact OE2-CB 3.47Å; E355-S371 PolarHBondContact OE2-N 3.34Å; E355-S371 PolarHBondContact OE2-OG 2.64Å; S371-Q373 PolarHBondContact O-N 3.14Å; S371-Q373 VanDerWaalsContact O-N 3.12Å; S371-Q373 PolarHBondContact OG-OE1 3.25Å; S371-V374 PolarHBondContact O-N 3.21Å; S371-V374 VanDerWaalsContact O-N 3.1Å; S371-V374 PolarHBondContact OG-N 3.27Å; S371-R375 WeakPolarHBondContact O-CB 3.27Å; S371-R375 PolarHBondContact O-N 3.01Å
372	P	92.6	Very high	93.3	Very high	84 Å²	84	52.6 Å²	52.6	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-52.5	-34.7	175.1	-27.8	34.9	0	0	0	113.1	V374 D376	P372-V374 VanDerWaalsContact C-N 3.34Å; P372-V374 PolarHBondContact O-N 2.83Å; P372-D376 WeakPolarHBondContact O-CB 3.35Å; P372-D376 VanDerWaalsContact O-CG 3.26Å; P372-D376 PolarHBondContact O-N 3.25Å
373	Q	94.4	Very high	93.2	Very high	41 Å²	41	50.2 Å²	50.2	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-38.8	-179.4	-66.4	73.1	15.9	0	0	112.5	V70 I77 Y352 S371	V70-Q373 WeakPolarHBondContact O-CG 3.39Å; I77-Q373 HydrophobicContact CD1-CB 3.73Å; I77-Q373 HydrophobicContact CD1-CG 3.41Å; I77-Q373 VanDerWaalsContact CD1-CG 3.41Å; Y352-Q373 HydrophobicContact CD1-CB 4.33Å; Y352-Q373 HydrophobicContact CE1-CB 3.71Å; Y352-Q373 HydrophobicContact CE1-CG 3.97Å; S371-Q373 PolarHBondContact O-N 3.14Å; S371-Q373 VanDerWaalsContact O-N 3.12Å; S371-Q373 PolarHBondContact OG-OE1 3.25Å
374	V	95	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-88.8	-44.3	177.4	174.4	0	0	0	0	110.8	I64 M69 Y352 E355 M356 F370 S371 P372 D376 A377 I378	I64-V374 HydrophobicContact CD1-CG1 3.94Å; I64-V374 HydrophobicContact CG1-CG1 4.4Å; I64-V374 HydrophobicContact CG2-CG1 4.41Å; M69-V374 HydrophobicContact CE-CG2 4.03Å; Y352-V374 HydrophobicContact CD1-CG2 3.94Å; Y352-V374 HydrophobicContact CG-CG2 4.3Å; E355-V374 HydrophobicContact CG-CG2 4.3Å; E355-V374 WeakPolarHBondContact OE1-CG2 3.46Å; M356-V374 HydrophobicContact CE-CG1 4.33Å; M356-V374 HydrophobicContact CE-CG2 3.61Å; M356-V374 HydrophobicContact CG-CG1 4.19Å; M356-V374 HydrophobicContact CG-CG2 4.44Å; F370-V374 HydrophobicContact CB-CB 4.35Å; F370-V374 HydrophobicContact CB-CG1 4.38Å; F370-V374 HydrophobicContact CD1-CB 4.45Å; F370-V374 HydrophobicContact CD1-CG1 3.79Å; F370-V374 HydrophobicContact CE1-CG1 4.34Å; F370-V374 HydrophobicContact CG-CG1 4.14Å; S371-V374 PolarHBondContact O-N 3.21Å; S371-V374 VanDerWaalsContact O-N 3.1Å; S371-V374 PolarHBondContact OG-N 3.27Å; P372-V374 VanDerWaalsContact C-N 3.34Å; P372-V374 PolarHBondContact O-N 2.83Å; V374-D376 VanDerWaalsContact C-N 3.29Å; V374-D376 PolarHBondContact O-N 3.44Å; V374-A377 WeakPolarHBondContact O-CB 3.24Å; V374-A377 PolarHBondContact O-N 2.84Å; V374-I378 WeakPolarHBondContact O-CG1 3.42Å; V374-I378 PolarHBondContact O-N 2.95Å
375	R	94.6	Very high	93.2	Very high	81 Å²	81	47 Å²	47	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-55.9	-45.1	-178.1	-167.5	173.8	177.2	90.4	5	112.2	L365 N366 E368 F370 S371 A377 I378	L365-R375 PolarHBondContact O-NH1 2.68Å; N366-R375 PolarHBondContact OD1-NH2 2.71Å; N366-R375 VanDerWaalsContact OD1-NH2 3.08Å; E368-R375 PolarHBondContact O-NH1 2.72Å; F370-R375 HydrophobicContact CB-CB 3.88Å; S371-R375 WeakPolarHBondContact O-CB 3.27Å; S371-R375 PolarHBondContact O-N 3.01Å; R375-A377 PolarHBondContact O-N 3.27Å; R375-I378 PolarHBondContact O-N 2.94Å
376	D	93.5	Very high	93.3	Very high	59 Å²	59	46.7 Å²	46.7	32%	0.316	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.7	-178.1	-68.6	-27.9	0	0	0	113.7	P372 V374 K388 F389	P372-D376 WeakPolarHBondContact O-CB 3.35Å; P372-D376 VanDerWaalsContact O-CG 3.26Å; P372-D376 PolarHBondContact O-N 3.25Å; V374-D376 VanDerWaalsContact C-N 3.29Å; V374-D376 PolarHBondContact O-N 3.44Å; D376-K388 HydrophobicContact CB-CD 4.32Å; D376-K388 IonicContact OD1-NZ 3.14Å; D376-K388 PolarHBondContact OD1-NZ 3.26Å; D376-K388 IonicContact OD2-NZ 3.34Å; D376-K388 PolarHBondContact OD2-NZ 2.81Å; D376-F389 WeakPolarHBondContact O-CE2 3.27Å; D376-F389 WeakPolarHBondContact O-CZ 3.32Å
377	A	95.4	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.7	175.5	0	0	0	0	0	113.1	I64 D65 K68 M69 V374 R375 I379	I64-A377 HydrophobicContact CG2-CB 4.04Å; D65-A377 PolarHBondContact N-O 2.82Å; K68-A377 HydrophobicContact CB-CB 4.05Å; M69-A377 HydrophobicContact CG-CB 3.67Å; V374-A377 WeakPolarHBondContact O-CB 3.24Å; V374-A377 PolarHBondContact O-N 2.84Å; R375-A377 PolarHBondContact O-N 3.27Å; A377-I379 PolarHBondContact O-N 3.31Å
378	I	96.9	Very high	93.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	109.6	179.6	-64.7	164.1	0	0	0	109.9	R62 L63 I64 L365 F370 V374 R375 T380 T386 F389	R62-I378 HydrophobicContact CG-CG2 3.79Å; L63-I378 CarbonylContact O-C 3.55Å; L63-I378 VanDerWaalsContact O-CA 3.22Å; L63-I378 WeakPolarHBondContact O-CA 3.29Å; I64-I378 HydrophobicContact CG1-CG1 3.79Å; L365-I378 HydrophobicContact CD1-CD1 3.52Å; L365-I378 HydrophobicContact CD2-CG2 4.32Å; F370-I378 HydrophobicContact CD2-CD1 3.73Å; F370-I378 HydrophobicContact CE2-CD1 3.73Å; F370-I378 HydrophobicContact CG-CD1 4.45Å; F370-I378 HydrophobicContact CZ-CD1 4.45Å; V374-I378 WeakPolarHBondContact O-CG1 3.42Å; V374-I378 PolarHBondContact O-N 2.95Å; R375-I378 PolarHBondContact O-N 2.94Å; I378-T380 WeakPolarHBondContact CG2-O 3.33Å; I378-T386 HydrophobicContact CB-CG2 4.43Å; I378-T386 HydrophobicContact CG2-CG2 3.81Å; I378-T386 VanDerWaalsContact O-CG2 3.25Å; I378-T386 WeakPolarHBondContact O-CG2 3.37Å; I378-T386 PolarHBondContact O-OG1 2.68Å; I378-F389 WeakPolarHBondContact O-CD2 3.44Å; I378-F389 VanDerWaalsContact O-CE2 3.28Å; I378-F389 WeakPolarHBondContact O-CE2 3.4Å
379	I	96.7	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-50.1	-179.1	-51.1	-56.5	0	0	0	111.2	I43 L53 L63 D65 K68 A377 L385 T386 F389 I392	I43-I379 HydrophobicContact CG2-CD1 3.8Å; L53-I379 HydrophobicContact CD1-CG2 4.27Å; L63-I379 HydrophobicContact CB-CB 4.46Å; L63-I379 HydrophobicContact CD2-CB 4Å; L63-I379 HydrophobicContact CD2-CG1 4.05Å; L63-I379 HydrophobicContact CG-CB 4.29Å; L63-I379 HydrophobicContact CG-CG1 4.27Å; L63-I379 PolarHBondContact O-N 3.14Å; D65-I379 HydrophobicContact CB-CD1 3.87Å; D65-I379 HydrophobicContact CB-CG1 3.68Å; K68-I379 HydrophobicContact CG-CD1 4.35Å; A377-I379 PolarHBondContact O-N 3.31Å; I379-L385 HydrophobicContact CG2-CD2 4.04Å; I379-L385 WeakPolarHBondContact O-CA 3.45Å; I379-T386 PolarHBondContact O-N 3.39Å; I379-F389 HydrophobicContact CB-CD2 4.48Å; I379-F389 HydrophobicContact CD1-CD1 3.56Å; I379-F389 HydrophobicContact CD1-CD2 3.86Å; I379-F389 HydrophobicContact CD1-CE1 3.27Å; I379-F389 HydrophobicContact CD1-CE2 3.6Å; I379-F389 HydrophobicContact CD1-CG 3.85Å; I379-F389 HydrophobicContact CD1-CZ 3.3Å; I379-F389 HydrophobicContact CG2-CB 4.28Å; I379-F389 HydrophobicContact CG2-CG 4.22Å; I379-I392 HydrophobicContact CG2-CD1 4.31Å
380	T	96.3	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.6	-177.7	64.3	0	0	0	0	110.1	L53 L57 V61 R62 L63 I378 A384 L385	L53-T380 HydrophobicContact CD1-CG2 3.53Å; L57-T380 HydrophobicContact CD2-CG2 3.7Å; L57-T380 HydrophobicContact CG-CG2 4.11Å; V61-T380 PolarHBondContact O-OG1 2.97Å; R62-T380 VanDerWaalsContact CA-O 3.27Å; R62-T380 WeakPolarHBondContact CA-O 3.38Å; L63-T380 VanDerWaalsContact CB-OG1 3.31Å; L63-T380 WeakPolarHBondContact CB-OG1 3.27Å; L63-T380 PolarHBondContact N-O 2.97Å; L63-T380 VanDerWaalsContact N-O 3.14Å; L63-T380 PolarHBondContact N-OG1 2.76Å; I378-T380 WeakPolarHBondContact CG2-O 3.33Å; T380-A384 CarbonylContact C-O 3.5Å; T380-A384 VanDerWaalsContact CA-O 3.29Å; T380-A384 WeakPolarHBondContact CA-O 3.39Å; T380-L385 HydrophobicContact CG2-CD2 4.22Å
381	S	95.3	Very high	93.3	Very high	8 Å²	8	42.9 Å²	42.9	6%	0.056	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	142	167.4	-168.2	0	0	0	0	109	R62 G383 A384	R62-S381 PolarHBondContact NE-OG 2.91Å; R62-S381 VanDerWaalsContact NE-OG 3.09Å; R62-S381 PolarHBondContact NH2-OG 2.85Å; S381-G383 PolarHBondContact O-N 3.06Å; S381-G383 VanDerWaalsContact O-N 3.11Å; S381-A384 PolarHBondContact N-O 2.94Å; S381-A384 PolarHBondContact O-N 3.41Å
382	N	93.4	Very high	93	Very high	61 Å²	61	41.7 Å²	41.7	33%	0.326	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	37.3	173	-49.9	100.6	0	0	0	113.8	A361 K363 A384	A361-N382 PolarHBondContact O-ND2 3.14Å; K363-N382 PolarHBondContact O-ND2 3.15Å; K363-N382 PolarHBondContact O-OD1 3.33Å; N382-A384 VanDerWaalsContact C-N 3.34Å; N382-A384 PolarHBondContact O-N 2.87Å
383	G	89.4	Confident	92.5	Very high	33 Å²	33	39.3 Å²	39.3	34%	0.34	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	7.4	177.7	0	0	0	0	0	116.3	L57 S381	L57-G383 VanDerWaalsContact O-CA 3.23Å; L57-G383 WeakPolarHBondContact O-CA 3.44Å; S381-G383 PolarHBondContact O-N 3.06Å; S381-G383 VanDerWaalsContact O-N 3.11Å
384	A	91.2	Very high	92	Very high	52 Å²	52	44.4 Å²	44.4	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.3	178.1	0	0	0	0	0	112.3	T380 S381 N382	T380-A384 CarbonylContact C-O 3.5Å; T380-A384 VanDerWaalsContact CA-O 3.29Å; T380-A384 WeakPolarHBondContact CA-O 3.39Å; S381-A384 PolarHBondContact N-O 2.94Å; S381-A384 PolarHBondContact O-N 3.41Å; N382-A384 VanDerWaalsContact C-N 3.34Å; N382-A384 PolarHBondContact O-N 2.87Å
385	L	93	Very high	91.5	Very high	24 Å²	24	47.8 Å²	47.8	13%	0.126	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.2	162.7	-72	167.5	0	0	0	108.8	L53 L57 I379 T380 F389 I392 E393	L53-L385 HydrophobicContact CD1-CD2 4.15Å; L53-L385 HydrophobicContact CD2-CD2 4.39Å; L57-L385 HydrophobicContact CD2-CG 4.46Å; I379-L385 HydrophobicContact CG2-CD2 4.04Å; I379-L385 WeakPolarHBondContact O-CA 3.45Å; T380-L385 HydrophobicContact CG2-CD2 4.22Å; L385-F389 HydrophobicContact CD2-CB 4.22Å; L385-I392 HydrophobicContact CD1-CB 4.22Å; L385-I392 HydrophobicContact CD2-CD1 4.28Å; L385-E393 HydrophobicContact CD1-CB 4.34Å
386	T	94.4	Very high	90.9	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.08	24%	0.236	C	C	.	.			trans	-74.4	159.4	173.1	75.8	0	0	0	0	110.3	L365 I378 I379 K388 F389 E390	L365-T386 HydrophobicContact CD2-CG2 3.69Å; I378-T386 HydrophobicContact CB-CG2 4.43Å; I378-T386 HydrophobicContact CG2-CG2 3.81Å; I378-T386 VanDerWaalsContact O-CG2 3.25Å; I378-T386 WeakPolarHBondContact O-CG2 3.37Å; I378-T386 PolarHBondContact O-OG1 2.68Å; I379-T386 PolarHBondContact O-N 3.39Å; T386-K388 PolarHBondContact O-N 3.28Å; T386-F389 PolarHBondContact O-N 3.17Å; T386-F389 VanDerWaalsContact OG1-CD2 3.31Å; T386-F389 WeakPolarHBondContact OG1-CD2 3.31Å; T386-E390 PolarHBondContact O-N 3.31Å
387	P	91.8	Very high	90.4	Very high	105 Å²	105	44.5 Å²	44.5	68%	0.682	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-31.3	-170.6	-31.2	36.9	0	0	0	115.5	F389	P387-F389 PolarHBondContact O-N 3.2Å
388	K	90.8	Very high	89.9	Confident	116 Å²	116	52.1 Å²	52.1	50%	0.504	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19	177.7	-80.5	-174.4	168.6	175.7	0	113.6	D376 T386 Y391	D376-K388 HydrophobicContact CB-CD 4.32Å; D376-K388 IonicContact OD1-NZ 3.14Å; D376-K388 PolarHBondContact OD1-NZ 3.26Å; D376-K388 IonicContact OD2-NZ 3.34Å; D376-K388 PolarHBondContact OD2-NZ 2.81Å; T386-K388 PolarHBondContact O-N 3.28Å; K388-Y391 WeakPolarHBondContact O-CD1 2.89Å; K388-Y391 WeakPolarHBondContact O-CE1 3.36Å
389	F	93.6	Very high	89.2	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.026	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	1.1	-173.2	-58.4	-75.7	0	0	0	113.9	I43 K68 D376 I378 I379 L385 T386 P387 Y391 I392	I43-F389 HydrophobicContact CG2-CD1 4.17Å; I43-F389 HydrophobicContact CG2-CE1 3.95Å; K68-F389 HydrophobicContact CB-CZ 4.26Å; K68-F389 HydrophobicContact CD-CE1 4.33Å; K68-F389 HydrophobicContact CG-CE1 3.89Å; K68-F389 HydrophobicContact CG-CZ 3.89Å; D376-F389 WeakPolarHBondContact O-CE2 3.27Å; D376-F389 WeakPolarHBondContact O-CZ 3.32Å; I378-F389 WeakPolarHBondContact O-CD2 3.44Å; I378-F389 VanDerWaalsContact O-CE2 3.28Å; I378-F389 WeakPolarHBondContact O-CE2 3.4Å; I379-F389 HydrophobicContact CB-CD2 4.48Å; I379-F389 HydrophobicContact CD1-CD1 3.56Å; I379-F389 HydrophobicContact CD1-CD2 3.86Å; I379-F389 HydrophobicContact CD1-CE1 3.27Å; I379-F389 HydrophobicContact CD1-CE2 3.6Å; I379-F389 HydrophobicContact CD1-CG 3.85Å; I379-F389 HydrophobicContact CD1-CZ 3.3Å; I379-F389 HydrophobicContact CG2-CB 4.28Å; I379-F389 HydrophobicContact CG2-CG 4.22Å; L385-F389 HydrophobicContact CD2-CB 4.22Å; T386-F389 PolarHBondContact O-N 3.17Å; T386-F389 VanDerWaalsContact OG1-CD2 3.31Å; T386-F389 WeakPolarHBondContact OG1-CD2 3.31Å; P387-F389 PolarHBondContact O-N 3.2Å; F389-Y391 HydrophobicContact CD1-CE1 4.03Å; F389-Y391 PolarHBondContact O-N 3.02Å; F389-I392 HydrophobicContact CB-CD1 3.96Å; F389-I392 HydrophobicContact CD1-CD1 4.34Å; F389-I392 VanDerWaalsContact O-CB 3.3Å; F389-I392 WeakPolarHBondContact O-CB 3.3Å; F389-I392 VanDerWaalsContact O-CG1 3.3Å; F389-I392 WeakPolarHBondContact O-CG1 3.37Å; F389-I392 PolarHBondContact O-N 3.35Å
390	E	89.4	Confident	88.6	Confident	107 Å²	107	58.2 Å²	58.2	50%	0.5	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.5	173.2	-69.7	177	-174.9	0	0	113.5	T386 I392 E393	T386-E390 PolarHBondContact O-N 3.31Å; E390-I392 PolarHBondContact O-N 2.73Å; E390-E393 PolarHBondContact O-N 3.42Å
391	Y	87	Confident	88.1	Confident	86 Å²	86	61.9 Å²	61.9	34%	0.337	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-23.7	174	74.1	-90.6	0	0	0	113.2	I43 K388 F389 E393 K394 M395	I43-Y391 WeakPolarHBondContact O-CE2 3.35Å; I43-Y391 PolarHBondContact O-OH 3.06Å; K388-Y391 WeakPolarHBondContact O-CD1 2.89Å; K388-Y391 WeakPolarHBondContact O-CE1 3.36Å; F389-Y391 HydrophobicContact CD1-CE1 4.03Å; F389-Y391 PolarHBondContact O-N 3.02Å; Y391-E393 PolarHBondContact O-N 3.18Å; Y391-K394 PolarHBondContact O-N 3.16Å; Y391-M395 HydrophobicContact CD2-CE 3.77Å; Y391-M395 HydrophobicContact CD2-CG 4.28Å; Y391-M395 HydrophobicContact CD2-SD 3.93Å; Y391-M395 HydrophobicContact CE2-CE 3.55Å; Y391-M395 HydrophobicContact CE2-SD 4.11Å; Y391-M395 WeakPolarHBondContact O-CG 3.32Å; Y391-M395 PolarHBondContact O-N 3.34Å
392	I	87.8	Confident	87.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.6	-44	177.8	-66.2	175.2	0	0	0	109.5	A45 M50 L53 I379 L385 F389 E390 K394 M395 R396	A45-I392 HydrophobicContact CB-CG2 4.03Å; M50-I392 HydrophobicContact SD-CG2 4.29Å; L53-I392 HydrophobicContact CD2-CG2 3.82Å; I379-I392 HydrophobicContact CG2-CD1 4.31Å; L385-I392 HydrophobicContact CD1-CB 4.22Å; L385-I392 HydrophobicContact CD2-CD1 4.28Å; F389-I392 HydrophobicContact CB-CD1 3.96Å; F389-I392 HydrophobicContact CD1-CD1 4.34Å; F389-I392 VanDerWaalsContact O-CB 3.3Å; F389-I392 WeakPolarHBondContact O-CB 3.3Å; F389-I392 VanDerWaalsContact O-CG1 3.3Å; F389-I392 WeakPolarHBondContact O-CG1 3.37Å; F389-I392 PolarHBondContact O-N 3.35Å; E390-I392 PolarHBondContact O-N 2.73Å; I392-K394 PolarHBondContact O-N 3.14Å; I392-M395 WeakPolarHBondContact O-CB 3.43Å; I392-M395 PolarHBondContact O-N 3.07Å; I392-M395 VanDerWaalsContact O-N 3.11Å; I392-R396 WeakPolarHBondContact O-CG 3.41Å; I392-R396 PolarHBondContact O-N 2.73Å
393	E	83.2	Confident	87.2	Confident	34 Å²	34	65.7 Å²	65.7	16%	0.159	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-46.2	178	-160.3	64.5	-169.4	0	0	111.3	L385 E390 Y391 M395 R396 E397 Q467	L385-E393 HydrophobicContact CD1-CB 4.34Å; E390-E393 PolarHBondContact O-N 3.42Å; Y391-E393 PolarHBondContact O-N 3.18Å; E393-M395 VanDerWaalsContact C-N 3.26Å; E393-M395 PolarHBondContact O-N 3.41Å; E393-R396 WeakPolarHBondContact O-CB 3.17Å; E393-R396 PolarHBondContact O-N 3.28Å; E393-R396 IonicContact OE2-CZ 3.04Å; E393-R396 IonicContact OE2-NE 3.75Å; E393-R396 IonicContact OE2-NH1 3.72Å; E393-R396 PolarHBondContact OE2-NH1 2.85Å; E393-R396 VanDerWaalsContact OE2-NH1 3.14Å; E393-E397 WeakPolarHBondContact O-CG 3.47Å; E393-E397 PolarHBondContact O-N 3.5Å; E393-Q467 PolarHBondContact OE1-NE2 3.18Å
394	K	83.6	Confident	87.1	Confident	148 Å²	148	64.1 Å²	64.1	64%	0.643	32%	0.315	S	S	*	.	H	α-helix	trans	-60.9	-34.1	175.8	-63.8	-178.9	-178.6	173.2	0	112.8	Y391 I392 K398	Y391-K394 PolarHBondContact O-N 3.16Å; I392-K394 PolarHBondContact O-N 3.14Å; K394-K398 VanDerWaalsContact O-CB 3.31Å; K394-K398 WeakPolarHBondContact O-CB 3.42Å; K394-K398 PolarHBondContact O-N 3.25Å
395	M	83.7	Confident	86.8	Confident	71 Å²	71	64.9 Å²	64.9	35%	0.35	31%	0.311	S	S	.	.	H	α-helix	trans	-69.5	-38.9	175.6	-66.7	-164.4	-48.8	0	0	111.6	A45 Y391 I392 E393 R399	A45-M395 HydrophobicContact CB-CB 3.79Å; A45-M395 HydrophobicContact CB-CE 3.45Å; A45-M395 VanDerWaalsContact CB-CE 3.45Å; Y391-M395 HydrophobicContact CD2-CE 3.77Å; Y391-M395 HydrophobicContact CD2-CG 4.28Å; Y391-M395 HydrophobicContact CD2-SD 3.93Å; Y391-M395 HydrophobicContact CE2-CE 3.55Å; Y391-M395 HydrophobicContact CE2-SD 4.11Å; Y391-M395 WeakPolarHBondContact O-CG 3.32Å; Y391-M395 PolarHBondContact O-N 3.34Å; I392-M395 WeakPolarHBondContact O-CB 3.43Å; I392-M395 PolarHBondContact O-N 3.07Å; I392-M395 VanDerWaalsContact O-N 3.11Å; E393-M395 VanDerWaalsContact C-N 3.26Å; E393-M395 PolarHBondContact O-N 3.41Å; M395-R399 PolarHBondContact O-N 2.89Å; M395-R399 VanDerWaalsContact O-N 3.14Å
396	R	82.9	Confident	86.4	Confident	19 Å²	19	71.9 Å²	71.9	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-53.7	173.6	-65	169	69.4	168.9	18.4	110.7	A45 M50 D54 I392 E393 K398 R399 E400	A45-R396 HydrophobicContact CB-CG 4.32Å; M50-R396 HydrophobicContact SD-CG 4.04Å; D54-R396 VanDerWaalsContact CG-NH2 3.3Å; D54-R396 IonicContact OD1-CZ 3.81Å; D54-R396 VanDerWaalsContact OD1-CZ 3.3Å; D54-R396 IonicContact OD1-NH1 3.62Å; D54-R396 PolarHBondContact OD1-NH1 3.39Å; D54-R396 IonicContact OD1-NH2 3.84Å; D54-R396 PolarHBondContact OD1-NH2 2.91Å; D54-R396 IonicContact OD2-CZ 2.87Å; D54-R396 IonicContact OD2-NH2 3.95Å; D54-R396 PolarHBondContact OD2-NH2 3.27Å; I392-R396 WeakPolarHBondContact O-CG 3.41Å; I392-R396 PolarHBondContact O-N 2.73Å; E393-R396 WeakPolarHBondContact O-CB 3.17Å; E393-R396 PolarHBondContact O-N 3.28Å; E393-R396 IonicContact OE2-CZ 3.04Å; E393-R396 IonicContact OE2-NE 3.75Å; E393-R396 IonicContact OE2-NH1 3.72Å; E393-R396 PolarHBondContact OE2-NH1 2.85Å; E393-R396 VanDerWaalsContact OE2-NH1 3.14Å; R396-K398 VanDerWaalsContact C-N 3.3Å; R396-K398 PolarHBondContact O-N 3.2Å; R396-R399 WeakPolarHBondContact O-CA 3.35Å; R396-R399 WeakPolarHBondContact O-CB 3.04Å; R396-R399 PolarHBondContact O-N 2.93Å; R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 2.97Å
397	E	83.4	Confident	85.6	Confident	52 Å²	52	77.8 Å²	77.8	24%	0.243	36%	0.362	C	S	.	.	H	α-helix	trans	-55.8	-44.2	178.7	-69.3	179.1	168.1	0	0	111.9	E393 R399 E400 K401 H470	E393-E397 WeakPolarHBondContact O-CG 3.47Å; E393-E397 PolarHBondContact O-N 3.5Å; E397-R399 VanDerWaalsContact C-N 3.28Å; E397-R399 PolarHBondContact O-N 3.23Å; E397-E400 PolarHBondContact O-N 2.86Å; E397-K401 WeakPolarHBondContact O-CB 3.45Å; E397-K401 PolarHBondContact O-N 3.49Å; E397-H470 IonicContact OE1-CD2 3.63Å; E397-H470 IonicContact OE1-CG 3.57Å
398	K	83.9	Confident	85	Confident	159 Å²	159	79 Å²	79	69%	0.691	37%	0.368	S	S	*	.	H	α-helix	trans	-62.1	-37.4	178.4	-174.1	178.9	179.7	-176.5	0	111.9	K394 R396 A402	K394-K398 VanDerWaalsContact O-CB 3.31Å; K394-K398 WeakPolarHBondContact O-CB 3.42Å; K394-K398 PolarHBondContact O-N 3.25Å; R396-K398 VanDerWaalsContact C-N 3.3Å; R396-K398 PolarHBondContact O-N 3.2Å; K398-A402 WeakPolarHBondContact O-CB 3.42Å; K398-A402 PolarHBondContact O-N 3.11Å
399	R	82.3	Confident	84.5	Confident	101 Å²	101	77.6 Å²	77.6	38%	0.381	39%	0.385	S	S	.	.	H	α-helix	trans	-71.5	-45.9	178.3	-178.2	-177	173.1	-166.9	-4	111.6	E47 M395 R396 E397 K401 A402 Q403	E47-R399 IonicContact OE1-NH2 2.75Å; E47-R399 IonicContact OE2-CZ 3.9Å; E47-R399 IonicContact OE2-NH1 3.4Å; E47-R399 IonicContact OE2-NH2 2.72Å; E47-R399 PolarHBondContact OE2-NH2 3.33Å; M395-R399 PolarHBondContact O-N 2.89Å; M395-R399 VanDerWaalsContact O-N 3.14Å; R396-R399 WeakPolarHBondContact O-CA 3.35Å; R396-R399 WeakPolarHBondContact O-CB 3.04Å; R396-R399 PolarHBondContact O-N 2.93Å; E397-R399 VanDerWaalsContact C-N 3.28Å; E397-R399 PolarHBondContact O-N 3.23Å; R399-K401 VanDerWaalsContact C-N 3.34Å; R399-A402 WeakPolarHBondContact O-CB 3.17Å; R399-A402 PolarHBondContact O-N 3.39Å; R399-A402 VanDerWaalsContact O-N 3.16Å; R399-Q403 PolarHBondContact O-N 3.35Å
400	E	84.8	Confident	84.4	Confident	28 Å²	28	78.4 Å²	78.4	13%	0.131	39%	0.389	C	S	.	.	H	α-helix	trans	-57.9	-48.5	174.9	-71.1	167.7	-174.9	0	0	110.6	R396 E397 A402 Q403 I404 I460 H470	R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 2.97Å; E397-E400 PolarHBondContact O-N 2.86Å; E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3Å; E400-Q403 CarbonylContact O-C 3.57Å; E400-Q403 WeakPolarHBondContact O-CA 3.3Å; E400-Q403 WeakPolarHBondContact O-CB 3.3Å; E400-Q403 PolarHBondContact O-N 2.88Å; E400-I404 WeakPolarHBondContact O-CG1 3.33Å; E400-I404 PolarHBondContact O-N 3.14Å; E400-I460 HydrophobicContact CB-CD1 4.04Å; E400-I460 HydrophobicContact CG-CD1 4.13Å; E400-I460 HydrophobicContact CG-CG1 4.37Å; E400-H470 IonicContact OE2-CD2 2.77Å; E400-H470 IonicContact OE2-CE1 2.74Å; E400-H470 PolarHBondContact OE2-CE1 2.84Å; E400-H470 IonicContact OE2-NE2 3.99Å; E400-H470 PolarHBondContact OE2-NE2 3.38Å
401	K	85.6	Confident	84.7	Confident	77 Å²	77	77.8 Å²	77.8	34%	0.335	39%	0.385	S	S	.	.	H	α-helix	trans	-54.8	-45.2	173.8	-177.3	-179.4	-161.4	78.1	0	111.8	E397 R399 Q403 I404 L405 D477	E397-K401 WeakPolarHBondContact O-CB 3.45Å; E397-K401 PolarHBondContact O-N 3.49Å; R399-K401 VanDerWaalsContact C-N 3.34Å; K401-Q403 VanDerWaalsContact C-N 3.26Å; K401-Q403 PolarHBondContact O-N 3.23Å; K401-I404 PolarHBondContact O-N 2.87Å; K401-L405 HydrophobicContact CD-CD1 4.4Å; K401-L405 HydrophobicContact CG-CD1 3.7Å; K401-L405 HydrophobicContact CG-CG 4.3Å; K401-L405 VanDerWaalsContact O-CB 3.29Å; K401-L405 WeakPolarHBondContact O-CB 3.42Å; K401-L405 VanDerWaalsContact O-CG 3.27Å; K401-L405 WeakPolarHBondContact O-CG 3.47Å; K401-L405 PolarHBondContact O-N 3.21Å; K401-D477 WeakPolarHBondContact CG-OD2 3.47Å; K401-D477 IonicContact NZ-OD1 2.72Å; K401-D477 PolarHBondContact NZ-OD1 3.31Å; K401-D477 IonicContact NZ-OD2 2.65Å; K401-D477 PolarHBondContact NZ-OD2 2.98Å
402	A	85.1	Confident	85.2	Confident	64 Å²	64	76.3 Å²	76.3	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-33	177.1	0	0	0	0	0	112.4	K398 R399 E400 K406	K398-A402 WeakPolarHBondContact O-CB 3.42Å; K398-A402 PolarHBondContact O-N 3.11Å; R399-A402 WeakPolarHBondContact O-CB 3.17Å; R399-A402 PolarHBondContact O-N 3.39Å; R399-A402 VanDerWaalsContact O-N 3.16Å; E400-A402 VanDerWaalsContact C-N 3.29Å; E400-A402 PolarHBondContact O-N 3Å; A402-K406 WeakPolarHBondContact O-CB 2.87Å; A402-K406 PolarHBondContact O-N 3.4Å; A402-K406 VanDerWaalsContact O-N 3.15Å
403	Q	84.5	Confident	85.7	Confident	85 Å²	85	76.3 Å²	76.3	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-74.3	-46	176.5	-174.3	174.6	-6.2	0	0	112.3	R399 E400 K401 L405 K406 I458	R399-Q403 PolarHBondContact O-N 3.35Å; E400-Q403 CarbonylContact O-C 3.57Å; E400-Q403 WeakPolarHBondContact O-CA 3.3Å; E400-Q403 WeakPolarHBondContact O-CB 3.3Å; E400-Q403 PolarHBondContact O-N 2.88Å; K401-Q403 VanDerWaalsContact C-N 3.26Å; K401-Q403 PolarHBondContact O-N 3.23Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; Q403-L405 PolarHBondContact O-N 2.9Å; Q403-K406 VanDerWaalsContact O-CB 3.25Å; Q403-K406 WeakPolarHBondContact O-CB 3.1Å; Q403-K406 PolarHBondContact O-N 3.11Å; Q403-I458 HydrophobicContact CG-CD1 4.07Å; Q403-I458 HydrophobicContact CG-CG1 4.44Å; Q403-I458 HydrophobicContact CG-CG2 4.42Å
404	I	86.3	Confident	86.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-48.9	175.2	-67	162.2	0	0	0	109.6	E400 K401 K406 Q436 I458 I460 L474 D477	E400-I404 WeakPolarHBondContact O-CG1 3.33Å; E400-I404 PolarHBondContact O-N 3.14Å; K401-I404 PolarHBondContact O-N 2.87Å; I404-K406 VanDerWaalsContact C-N 3.28Å; I404-K406 PolarHBondContact O-N 3.48Å; I404-Q436 PolarHBondContact O-NE2 3.46Å; I404-Q436 PolarHBondContact O-OE1 3.17Å; I404-Q436 VanDerWaalsContact O-OE1 3.13Å; I404-I458 HydrophobicContact CG1-CD1 4.06Å; I404-I460 HydrophobicContact CD1-CD1 3.88Å; I404-L474 HydrophobicContact CD1-CD2 3.91Å; I404-D477 HydrophobicContact CG2-CB 4.4Å
405	L	86.5	Confident	87.2	Confident	67 Å²	67	67.6 Å²	67.6	35%	0.351	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.2	-176.6	-59	179.7	0	0	0	114.1	K401 Q403 R407	K401-L405 HydrophobicContact CD-CD1 4.4Å; K401-L405 HydrophobicContact CG-CD1 3.7Å; K401-L405 HydrophobicContact CG-CG 4.3Å; K401-L405 VanDerWaalsContact O-CB 3.29Å; K401-L405 WeakPolarHBondContact O-CB 3.42Å; K401-L405 VanDerWaalsContact O-CG 3.27Å; K401-L405 WeakPolarHBondContact O-CG 3.47Å; K401-L405 PolarHBondContact O-N 3.21Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; Q403-L405 PolarHBondContact O-N 2.9Å; L405-R407 VanDerWaalsContact C-N 3.27Å; L405-R407 PolarHBondContact O-N 3.46Å
406	K	84	Confident	87.8	Confident	171 Å²	171	64.3 Å²	64.3	74%	0.743	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.3	-176.9	-172.2	176	178.9	179.1	0	112.8	A402 Q403 I404	A402-K406 WeakPolarHBondContact O-CB 2.87Å; A402-K406 PolarHBondContact O-N 3.4Å; A402-K406 VanDerWaalsContact O-N 3.15Å; Q403-K406 VanDerWaalsContact O-CB 3.25Å; Q403-K406 WeakPolarHBondContact O-CB 3.1Å; Q403-K406 PolarHBondContact O-N 3.11Å; I404-K406 VanDerWaalsContact C-N 3.28Å; I404-K406 PolarHBondContact O-N 3.48Å
407	R	77.7	Confident	88.3	Confident	137 Å²	137	63.9 Å²	63.9	52%	0.517	33%	0.326	S	S	.	.	S	Bend	trans	-106.3	117.2	-178.2	-66.5	-170.7	179.4	-175	6.7	110.2	L405 M410 N456	L405-R407 VanDerWaalsContact C-N 3.27Å; L405-R407 PolarHBondContact O-N 3.46Å; R407-M410 HydrophobicContact CB-CG 4.33Å; R407-M410 HydrophobicContact CB-SD 3.6Å; R407-M410 HydrophobicContact CG-SD 4.27Å; R407-N456 PolarHBondContact NH1-OD1 2.94Å
408	T	78.1	Confident	88.7	Confident	132 Å²	132	62.1 Å²	62.1	81%	0.81	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	144.9	179	54.4	0	0	0	0	111.3
409	G	81.8	Confident	88.8	Confident	85 Å²	85	56.3 Å²	56.3	88%	0.876	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	2.7	172.6	0	0	0	0	0	115.8
410	M	90.9	Very high	88.9	Confident	23 Å²	23	60.1 Å²	60.1	11%	0.113	32%	0.32	C	S	.	.			trans	-90.5	147.5	174.9	-57.5	-177.2	86	0	0	111.4	R407 E433 G434 T435 Q436 N456	R407-M410 HydrophobicContact CB-CG 4.33Å; R407-M410 HydrophobicContact CB-SD 3.6Å; R407-M410 HydrophobicContact CG-SD 4.27Å; M410-E433 WeakPolarHBondContact CE-O 3.43Å; M410-G434 CarbonylContact C-O 3.56Å; M410-G434 WeakPolarHBondContact CA-O 3.25Å; M410-G434 WeakPolarHBondContact CB-O 3.17Å; M410-T435 WeakPolarHBondContact CE-O 3.3Å; M410-Q436 HydrophobicContact CB-CB 4.45Å; M410-Q436 HydrophobicContact CE-CB 4.22Å; M410-Q436 HydrophobicContact SD-CB 4.26Å; M410-N456 HydrophobicContact CE-CB 4Å; M410-N456 VanDerWaalsContact CE-ND2 3.34Å; M410-N456 WeakPolarHBondContact CE-ND2 3.31Å
411	K	95.8	Very high	89.1	Confident	95 Å²	95	60.5 Å²	60.5	41%	0.413	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.8	164.8	-63.7	-63.9	-173.5	169.9	0	109.1	G434 T435 Q436 D479 L817	K411-G434 PolarHBondContact N-O 3.29Å; K411-T435 WeakPolarHBondContact O-CA 3.49Å; K411-Q436 PolarHBondContact O-N 3.3Å; K411-D479 WeakPolarHBondContact CA-OD2 3.39Å; K411-L817 HydrophobicContact CB-CD2 4.26Å; K411-L817 HydrophobicContact CD-CD2 4.46Å
412	R	97.4	Very high	89.6	Confident	54 Å²	54	56.9 Å²	56.9	20%	0.204	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.1	-175.1	-66.3	-176.4	-66	-101.3	-8.6	110.6	Q436 D477 H478 D479 L480	R412-Q436 HydrophobicContact CG-CB 4.48Å; R412-D477 WeakPolarHBondContact CD-O 3.48Å; R412-D477 PolarHBondContact NE-O 3.08Å; R412-H478 HydrophobicContact CB-CB 4.37Å; R412-D479 PolarHBondContact N-OD2 2.94Å; R412-D479 PolarHBondContact O-N 2.7Å; R412-L480 PolarHBondContact O-N 2.92Å
413	V	98.5	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.2	179.9	-176.5	0	0	0	0	110	L429 T435 Q436 V437 T438 H478 L480 I482 L817	V413-L429 HydrophobicContact CB-CD1 4.43Å; V413-L429 HydrophobicContact CG1-CD1 4.01Å; V413-L429 HydrophobicContact CG2-CD1 4.37Å; V413-T435 HydrophobicContact CG2-CG2 4.1Å; V413-Q436 PolarHBondContact N-O 2.98Å; V413-V437 CarbonylContact O-C 3.49Å; V413-V437 WeakPolarHBondContact O-CA 3.31Å; V413-T438 PolarHBondContact O-N 3.35Å; V413-H478 VanDerWaalsContact C-CD2 3.45Å; V413-L480 WeakPolarHBondContact CA-O 3.48Å; V413-L480 HydrophobicContact CG1-CD2 4.44Å; V413-L480 HydrophobicContact CG2-CB 4.48Å; V413-I482 HydrophobicContact CG1-CD1 3.62Å; V413-I482 HydrophobicContact CG1-CG1 3.82Å; V413-L817 HydrophobicContact CG2-CD1 3.66Å
414	L	98.6	Very high	90.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.9	171.5	179.2	62.2	0	0	0	109.3	L416 T438 A440 L474 V475 H478 L480 V481 I482	L414-L416 HydrophobicContact CD1-CD2 4.12Å; L414-L416 HydrophobicContact CD2-CD2 3.84Å; L414-L416 HydrophobicContact CD2-CG 4.42Å; L414-L416 HydrophobicContact CG-CD2 3.79Å; L414-L416 HydrophobicContact CG-CG 4.25Å; L414-T438 HydrophobicContact CD1-CG2 4.02Å; L414-A440 HydrophobicContact CD1-CB 4.04Å; L414-L474 HydrophobicContact CD1-CB 4.35Å; L414-L474 HydrophobicContact CD2-CB 3.81Å; L414-V475 HydrophobicContact CD2-CG2 4.09Å; L414-H478 HydrophobicContact CB-CB 4.04Å; L414-H478 PolarHBondContact N-CD2 3.03Å; L414-L480 PolarHBondContact N-O 3.04Å; L414-V481 HydrophobicContact CB-CG2 4.3Å; L414-V481 HydrophobicContact CD2-CG2 4.29Å; L414-V481 CarbonylContact O-C 3.57Å; L414-V481 WeakPolarHBondContact O-CA 3.29Å; L414-I482 PolarHBondContact O-N 3.46Å
415	L	98.6	Very high	91.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	109.8	173.4	178.7	59.2	0	0	0	109.7	V425 V426 V437 T438 V439 A440 I482 M484	L415-V425 HydrophobicContact CD1-CG1 4.19Å; L415-V425 HydrophobicContact CD2-CB 4.27Å; L415-V425 HydrophobicContact CD2-CG1 4.23Å; L415-V426 HydrophobicContact CD2-CG2 3.45Å; L415-V426 VanDerWaalsContact CD2-CG2 3.45Å; L415-V437 HydrophobicContact CB-CG1 4.11Å; L415-T438 PolarHBondContact N-O 2.74Å; L415-V439 HydrophobicContact CD2-CG2 4.36Å; L415-A440 PolarHBondContact O-N 2.92Å; L415-I482 HydrophobicContact CD1-CB 3.82Å; L415-I482 HydrophobicContact CD1-CG2 3.77Å; L415-M484 HydrophobicContact CD1-CB 4.48Å; L415-M484 HydrophobicContact CD1-CG 3.83Å
416	L	97.9	Very high	91.7	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.3	176.3	-58.2	179.2	0	0	0	109.8	L414 A440 L462 L471 V481 I482 M484 L485 V493	L414-L416 HydrophobicContact CD1-CD2 4.12Å; L414-L416 HydrophobicContact CD2-CD2 3.84Å; L414-L416 HydrophobicContact CD2-CG 4.42Å; L414-L416 HydrophobicContact CG-CD2 3.79Å; L414-L416 HydrophobicContact CG-CG 4.25Å; L416-A440 HydrophobicContact CD2-CB 3.92Å; L416-L462 HydrophobicContact CD2-CD2 3.82Å; L416-L471 HydrophobicContact CD1-CD1 3.97Å; L416-L471 HydrophobicContact CD2-CD1 4.12Å; L416-V481 HydrophobicContact CD1-CG1 3.81Å; L416-V481 HydrophobicContact CG-CG1 4.07Å; L416-I482 PolarHBondContact N-O 3.11Å; L416-M484 CarbonylContact O-C 3.49Å; L416-M484 WeakPolarHBondContact O-CA 3.24Å; L416-M484 PolarHBondContact O-N 3.46Å; L416-L485 HydrophobicContact CB-CD1 3.95Å; L416-L485 HydrophobicContact CB-CD2 4.39Å; L416-L485 HydrophobicContact CB-CG 3.89Å; L416-L485 HydrophobicContact CD1-CD1 4.32Å; L416-L485 PolarHBondContact O-N 3.38Å; L416-V493 HydrophobicContact CD1-CB 4.31Å; L416-V493 HydrophobicContact CD1-CG1 3.63Å; L416-V493 HydrophobicContact CD1-CG2 3.61Å
417	G	93.2	Very high	92.3	Very high	9 Å²	9	40.6 Å²	40.6	9%	0.093	23%	0.225	C	C	.	.			trans	108.7	137.1	-176.3	0	0	0	0	0	112.5	S422 A440	G417-S422 PolarHBondContact O-OG 3.14Å; G417-A440 PolarHBondContact N-O 2.79Å
418	S	91.9	Very high	93.3	Very high	15 Å²	15	35.3 Å²	35.3	11%	0.105	21%	0.205	C	C	.	.			trans	-118.2	16.5	178.3	64.6	0	0	0	0	113.1	S441 Q446	S418-S441 VanDerWaalsContact OG-CB 3.27Å; S418-S441 WeakPolarHBondContact OG-CB 3.49Å; S418-S441 PolarHBondContact OG-OG 2.98Å; S418-Q446 WeakPolarHBondContact OG-CB 3.4Å; S418-Q446 PolarHBondContact OG-OE1 3.34Å
419	G	85.9	Confident	94.2	Very high	38 Å²	38	29 Å²	29	39%	0.392	17%	0.167	S	C	.	.	S	Bend	trans	-65.5	176	179	0	0	0	0	0	113.3	V421 S422	G419-V421 PolarHBondContact O-N 3.35Å; G419-S422 PolarHBondContact N-OG 3Å; G419-S422 WeakPolarHBondContact O-CB 3.48Å; G419-S422 PolarHBondContact O-N 2.93Å; G419-S422 PolarHBondContact O-OG 2.67Å
420	Y	83.5	Confident	94.9	Very high	180 Å²	180	25.6 Å²	25.6	71%	0.706	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.8	-171	-66.8	-79.5	0	0	0	115.9	S422 S582 A802	Y420-S422 VanDerWaalsContact C-N 3.32Å; Y420-S582 WeakPolarHBondContact CD2-O 3.47Å; Y420-S582 WeakPolarHBondContact CE2-O 3.25Å; Y420-A802 WeakPolarHBondContact O-CB 3.27Å
421	V	89.9	Confident	95.1	Very high	36 Å²	36	30.2 Å²	30.2	22%	0.218	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.6	179.8	-57.9	0	0	0	0	113.9	G419 M484 V805	G419-V421 PolarHBondContact O-N 3.35Å; V421-M484 HydrophobicContact CG2-CB 4.47Å; V421-M484 HydrophobicContact CG2-CG 4.5Å; V421-M484 HydrophobicContact CG2-SD 4.3Å; V421-V805 HydrophobicContact CB-CB 4.29Å; V421-V805 HydrophobicContact CB-CG1 4.05Å; V421-V805 HydrophobicContact CG1-CB 4.06Å; V421-V805 HydrophobicContact CG1-CG1 4.06Å; V421-V805 HydrophobicContact CG2-CG1 4.36Å
422	S	94.6	Very high	95	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	14%	0.141	C	C	.	.	S	Bend	trans	-78.9	-26.7	-174.9	-43.3	0	0	0	0	112.2	G417 G419 Y420 V425 V426	G417-S422 PolarHBondContact O-OG 3.14Å; G419-S422 PolarHBondContact N-OG 3Å; G419-S422 WeakPolarHBondContact O-CB 3.48Å; G419-S422 PolarHBondContact O-N 2.93Å; G419-S422 PolarHBondContact O-OG 2.67Å; Y420-S422 VanDerWaalsContact C-N 3.32Å; S422-V425 WeakPolarHBondContact O-CB 3.47Å; S422-V425 PolarHBondContact O-N 3.33Å; S422-V425 VanDerWaalsContact O-N 3.11Å; S422-V426 PolarHBondContact O-N 3.36Å; S422-V426 VanDerWaalsContact O-N 3.14Å
423	G	95.3	Very high	94.8	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	17%	0.169	C	C	.	.	H	α-helix	trans	-53.2	-56.4	-178.5	0	0	0	0	0	113.8	V425 V426 E427 F798	G423-V425 PolarHBondContact O-N 3.3Å; G423-V426 PolarHBondContact O-N 3.22Å; G423-E427 WeakPolarHBondContact O-CB 3.35Å; G423-E427 PolarHBondContact O-N 3.16Å; G423-F798 VanDerWaalsContact C-CZ 3.44Å
424	P	96.4	Very high	94.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-26.6	177.4	-26.5	36.3	0	0	0	114.1	Y428 F798 A802 Y807	P424-Y428 WeakPolarHBondContact O-CB 3.49Å; P424-Y428 PolarHBondContact O-N 2.87Å; P424-F798 HydrophobicContact CB-CD2 4.28Å; P424-F798 HydrophobicContact CB-CE2 4.23Å; P424-F798 HydrophobicContact CG-CB 4.07Å; P424-F798 HydrophobicContact CG-CD1 3.82Å; P424-F798 HydrophobicContact CG-CD2 3.73Å; P424-F798 HydrophobicContact CG-CE1 4.1Å; P424-F798 HydrophobicContact CG-CE2 3.99Å; P424-F798 HydrophobicContact CG-CG 3.62Å; P424-F798 HydrophobicContact CG-CZ 4.15Å; P424-A802 HydrophobicContact CG-CB 3.89Å; P424-A802 WeakPolarHBondContact CG-O 3.48Å; P424-Y807 HydrophobicContact CB-CD1 3.86Å; P424-Y807 HydrophobicContact CB-CE1 3.73Å; P424-Y807 HydrophobicContact CB-CG 4.35Å
425	V	98.1	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-51.3	176.6	-177.7	0	0	0	0	110.8	L415 S422 G423 E427 L429 I482 M484 G806 A810	L415-V425 HydrophobicContact CD1-CG1 4.19Å; L415-V425 HydrophobicContact CD2-CB 4.27Å; L415-V425 HydrophobicContact CD2-CG1 4.23Å; S422-V425 WeakPolarHBondContact O-CB 3.47Å; S422-V425 PolarHBondContact O-N 3.33Å; S422-V425 VanDerWaalsContact O-N 3.11Å; G423-V425 PolarHBondContact O-N 3.3Å; V425-E427 VanDerWaalsContact C-N 3.35Å; V425-L429 HydrophobicContact CG1-CD1 3.91Å; V425-L429 WeakPolarHBondContact O-CB 3.06Å; V425-L429 VanDerWaalsContact O-CG 3.31Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.37Å; V425-L429 VanDerWaalsContact O-N 3.1Å; V425-I482 HydrophobicContact CG1-CD1 3.61Å; V425-M484 HydrophobicContact CG2-CE 3.6Å; V425-G806 WeakPolarHBondContact CG2-O 3.35Å; V425-A810 HydrophobicContact CB-CB 4.45Å; V425-A810 HydrophobicContact CG1-CB 4.26Å
426	V	97.8	Very high	94.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-45.8	178.9	-176.9	0	0	0	0	110	L415 S422 G423 L429 S430 V437 V439 L450 Y454 T457	L415-V426 HydrophobicContact CD2-CG2 3.45Å; L415-V426 VanDerWaalsContact CD2-CG2 3.45Å; S422-V426 PolarHBondContact O-N 3.36Å; S422-V426 VanDerWaalsContact O-N 3.14Å; G423-V426 PolarHBondContact O-N 3.22Å; V426-L429 PolarHBondContact O-N 3.46Å; V426-S430 WeakPolarHBondContact O-CB 3.13Å; V426-S430 PolarHBondContact O-N 2.97Å; V426-S430 PolarHBondContact O-OG 3.16Å; V426-V437 HydrophobicContact CG2-CG1 4.21Å; V426-V439 HydrophobicContact CG2-CG2 3.82Å; V426-L450 HydrophobicContact CB-CD1 4.43Å; V426-L450 HydrophobicContact CG2-CD1 4.37Å; V426-L450 HydrophobicContact CG2-CD2 3.74Å; V426-L450 HydrophobicContact CG2-CG 4.05Å; V426-Y454 HydrophobicContact CB-CD2 4.03Å; V426-Y454 HydrophobicContact CB-CE2 4.4Å; V426-Y454 HydrophobicContact CG1-CD2 3.5Å; V426-Y454 VanDerWaalsContact CG1-CD2 3.5Å; V426-Y454 HydrophobicContact CG1-CE2 4.34Å; V426-Y454 HydrophobicContact CG1-CG 3.91Å; V426-T457 HydrophobicContact CG1-CG2 3.82Å
427	E	97.1	Very high	94.4	Very high	36 Å²	36	35.8 Å²	35.8	17%	0.168	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-58.1	178.5	-171.3	-80.5	143.1	0	0	111	G423 V425 L429 S430 R431 Y454 F798	G423-E427 WeakPolarHBondContact O-CB 3.35Å; G423-E427 PolarHBondContact O-N 3.16Å; V425-E427 VanDerWaalsContact C-N 3.35Å; E427-L429 PolarHBondContact O-N 3.47Å; E427-S430 PolarHBondContact O-N 3.02Å; E427-S430 PolarHBondContact O-OG 3.3Å; E427-R431 VanDerWaalsContact CD-NH2 3.32Å; E427-R431 WeakPolarHBondContact O-CG 3.25Å; E427-R431 PolarHBondContact O-N 3.19Å; E427-R431 IonicContact OE1-CZ 2.9Å; E427-R431 IonicContact OE1-NE 3.6Å; E427-R431 PolarHBondContact OE1-NE 2.83Å; E427-R431 IonicContact OE1-NH2 3.14Å; E427-R431 PolarHBondContact OE1-NH2 3.41Å; E427-R431 VanDerWaalsContact OE1-NH2 3.14Å; E427-R431 IonicContact OE2-CZ 3.6Å; E427-R431 IonicContact OE2-NE 3.86Å; E427-R431 PolarHBondContact OE2-NE 3.36Å; E427-R431 IonicContact OE2-NH2 3.49Å; E427-R431 PolarHBondContact OE2-NH2 3.14Å; E427-Y454 HydrophobicContact CB-CD1 4.3Å; E427-Y454 HydrophobicContact CB-CE1 3.59Å; E427-Y454 HydrophobicContact CB-CE2 4.31Å; E427-Y454 HydrophobicContact CG-CD1 4.37Å; E427-Y454 HydrophobicContact CG-CE1 3.51Å; E427-F798 HydrophobicContact CB-CE2 3.98Å; E427-F798 HydrophobicContact CB-CZ 3.86Å; E427-F798 HydrophobicContact CG-CE2 4.01Å; E427-F798 HydrophobicContact CG-CZ 4.2Å
428	Y	97.9	Very high	94.7	Very high	26 Å²	26	35.4 Å²	35.4	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-44.3	-177.5	-175	-89.4	0	0	0	112.9	P424 R431 Y807 A810 I811 R814 E845	P424-Y428 WeakPolarHBondContact O-CB 3.49Å; P424-Y428 PolarHBondContact O-N 2.87Å; Y428-R431 WeakPolarHBondContact O-CB 3.24Å; Y428-R431 PolarHBondContact O-N 3.49Å; Y428-Y807 HydrophobicContact CD2-CD1 4.17Å; Y428-Y807 HydrophobicContact CD2-CE1 4.45Å; Y428-Y807 HydrophobicContact CG-CD1 4.47Å; Y428-A810 HydrophobicContact CD1-CB 3.63Å; Y428-A810 HydrophobicContact CE1-CB 4.5Å; Y428-A810 HydrophobicContact CG-CB 3.9Å; Y428-I811 HydrophobicContact CE1-CG1 4.03Å; Y428-I811 HydrophobicContact CE2-CG1 4.06Å; Y428-R814 HydrophobicContact CE1-CB 4.15Å; Y428-E845 HydrophobicContact CE2-CG 4.35Å; Y428-E845 WeakPolarHBondContact CE2-OE1 3.45Å
429	L	97.8	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.3	-34.7	-179.2	-69.3	176.7	0	0	0	112.6	V413 V425 V426 E427 R431 D432 T435 V437 I482 A813 R814	V413-L429 HydrophobicContact CB-CD1 4.43Å; V413-L429 HydrophobicContact CG1-CD1 4.01Å; V413-L429 HydrophobicContact CG2-CD1 4.37Å; V425-L429 HydrophobicContact CG1-CD1 3.91Å; V425-L429 WeakPolarHBondContact O-CB 3.06Å; V425-L429 VanDerWaalsContact O-CG 3.31Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.37Å; V425-L429 VanDerWaalsContact O-N 3.1Å; V426-L429 PolarHBondContact O-N 3.46Å; E427-L429 PolarHBondContact O-N 3.47Å; L429-R431 PolarHBondContact O-N 3.14Å; L429-D432 PolarHBondContact O-N 3.35Å; L429-T435 HydrophobicContact CB-CG2 4.23Å; L429-V437 HydrophobicContact CB-CG2 3.9Å; L429-V437 HydrophobicContact CD1-CG2 4.29Å; L429-I482 HydrophobicContact CD1-CD1 3.68Å; L429-A813 HydrophobicContact CD2-CB 4.27Å; L429-R814 PolarHBondContact O-NH2 3.22Å
430	S	95.4	Very high	95.4	Very high	13 Å²	13	33 Å²	33	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-73.2	-12	-179.5	72.1	0	0	0	0	114.3	V426 E427 D432	V426-S430 WeakPolarHBondContact O-CB 3.13Å; V426-S430 PolarHBondContact O-N 2.97Å; V426-S430 PolarHBondContact O-OG 3.16Å; E427-S430 PolarHBondContact O-N 3.02Å; E427-S430 PolarHBondContact O-OG 3.3Å; S430-D432 PolarHBondContact O-N 2.99Å
431	R	95.6	Very high	95.8	Very high	120 Å²	120	24.8 Å²	24.8	45%	0.453	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.8	172.7	-62.1	178.1	-172.4	171.8	6.3	112.4	E427 Y428 L429 E845	E427-R431 VanDerWaalsContact CD-NH2 3.32Å; E427-R431 WeakPolarHBondContact O-CG 3.25Å; E427-R431 PolarHBondContact O-N 3.19Å; E427-R431 IonicContact OE1-CZ 2.9Å; E427-R431 IonicContact OE1-NE 3.6Å; E427-R431 PolarHBondContact OE1-NE 2.83Å; E427-R431 IonicContact OE1-NH2 3.14Å; E427-R431 PolarHBondContact OE1-NH2 3.41Å; E427-R431 VanDerWaalsContact OE1-NH2 3.14Å; E427-R431 IonicContact OE2-CZ 3.6Å; E427-R431 IonicContact OE2-NE 3.86Å; E427-R431 PolarHBondContact OE2-NE 3.36Å; E427-R431 IonicContact OE2-NH2 3.49Å; E427-R431 PolarHBondContact OE2-NH2 3.14Å; Y428-R431 WeakPolarHBondContact O-CB 3.24Å; Y428-R431 PolarHBondContact O-N 3.49Å; L429-R431 PolarHBondContact O-N 3.14Å; R431-E845 IonicContact CZ-OE1 3.11Å; R431-E845 IonicContact CZ-OE2 2.87Å; R431-E845 VanDerWaalsContact NH1-CD 3.29Å; R431-E845 IonicContact NH1-OE1 3.01Å; R431-E845 PolarHBondContact NH1-OE1 3.33Å; R431-E845 IonicContact NH1-OE2 3.3Å; R431-E845 PolarHBondContact NH1-OE2 3.03Å; R431-E845 VanDerWaalsContact NH1-OE2 3.1Å; R431-E845 IonicContact NH2-OE1 2.68Å; R431-E845 IonicContact NH2-OE2 3.97Å; R431-E845 PolarHBondContact NH2-OE2 3.24Å
432	D	94.3	Very high	95.6	Very high	61 Å²	61	27 Å²	27	33%	0.326	14%	0.14	S	C	.	.	S	Bend	trans	-91.1	115.8	173.1	171.3	41.4	0	0	0	110.3	L429 S430 G434 T435 R814	L429-D432 PolarHBondContact O-N 3.35Å; S430-D432 PolarHBondContact O-N 2.99Å; D432-G434 PolarHBondContact O-N 3.18Å; D432-G434 VanDerWaalsContact O-N 3.11Å; D432-G434 PolarHBondContact OD1-N 2.96Å; D432-G434 VanDerWaalsContact OD1-N 3.11Å; D432-T435 PolarHBondContact O-N 3.24Å; D432-T435 PolarHBondContact OD2-N 3.36Å; D432-T435 PolarHBondContact OD2-OG1 3.27Å; D432-R814 VanDerWaalsContact CB-NH2 3.34Å; D432-R814 IonicContact OD2-CZ 3.9Å; D432-R814 IonicContact OD2-NH1 2.72Å; D432-R814 PolarHBondContact OD2-NH1 3Å; D432-R814 IonicContact OD2-NH2 2.73Å; D432-R814 PolarHBondContact OD2-NH2 2.65Å
433	E	92.1	Very high	94.9	Very high	170 Å²	170	31.3 Å²	31.3	79%	0.794	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.2	176.6	-64.5	-171.1	169.6	0	0	112.8	M410 T435	M410-E433 WeakPolarHBondContact CE-O 3.43Å; E433-T435 PolarHBondContact O-N 2.96Å
434	G	94.7	Very high	94.4	Very high	28 Å²	28	32.9 Å²	32.9	29%	0.289	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.5	173.4	0	0	0	0	0	114.7	M410 K411 D432	M410-G434 CarbonylContact C-O 3.56Å; M410-G434 WeakPolarHBondContact CA-O 3.25Å; M410-G434 WeakPolarHBondContact CB-O 3.17Å; K411-G434 PolarHBondContact N-O 3.29Å; D432-G434 PolarHBondContact O-N 3.18Å; D432-G434 VanDerWaalsContact O-N 3.11Å; D432-G434 PolarHBondContact OD1-N 2.96Å; D432-G434 VanDerWaalsContact OD1-N 3.11Å
435	T	96.6	Very high	93.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.5	-175.7	-59.9	0	0	0	0	112.3	M410 K411 V413 L429 D432 E433 V437 N456 R814	M410-T435 WeakPolarHBondContact CE-O 3.3Å; K411-T435 WeakPolarHBondContact O-CA 3.49Å; V413-T435 HydrophobicContact CG2-CG2 4.1Å; L429-T435 HydrophobicContact CB-CG2 4.23Å; D432-T435 PolarHBondContact O-N 3.24Å; D432-T435 PolarHBondContact OD2-N 3.36Å; D432-T435 PolarHBondContact OD2-OG1 3.27Å; E433-T435 PolarHBondContact O-N 2.96Å; T435-V437 HydrophobicContact CG2-CG2 4.34Å; T435-N456 WeakPolarHBondContact O-CB 3.47Å; T435-R814 PolarHBondContact OG1-NH1 3.23Å; T435-R814 VanDerWaalsContact OG1-NH1 3.1Å; T435-R814 PolarHBondContact OG1-NH2 3.05Å
436	Q	97.2	Very high	93	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.7	171.5	179.9	-174.9	79.1	0	0	109.1	I404 M410 K411 R412 V413 N456 I458	I404-Q436 PolarHBondContact O-NE2 3.46Å; I404-Q436 PolarHBondContact O-OE1 3.17Å; I404-Q436 VanDerWaalsContact O-OE1 3.13Å; M410-Q436 HydrophobicContact CB-CB 4.45Å; M410-Q436 HydrophobicContact CE-CB 4.22Å; M410-Q436 HydrophobicContact SD-CB 4.26Å; K411-Q436 PolarHBondContact O-N 3.3Å; R412-Q436 HydrophobicContact CG-CB 4.48Å; V413-Q436 PolarHBondContact N-O 2.98Å; Q436-N456 WeakPolarHBondContact CA-O 3.28Å; Q436-N456 WeakPolarHBondContact CG-O 3.47Å; Q436-I458 HydrophobicContact CG-CD1 4.19Å
437	V	98.1	Very high	92.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.1	179	-175	0	0	0	0	109.7	V413 L415 V426 L429 T435 V439 N456 T457 I458	V413-V437 CarbonylContact O-C 3.49Å; V413-V437 WeakPolarHBondContact O-CA 3.31Å; L415-V437 HydrophobicContact CB-CG1 4.11Å; V426-V437 HydrophobicContact CG2-CG1 4.21Å; L429-V437 HydrophobicContact CB-CG2 3.9Å; L429-V437 HydrophobicContact CD1-CG2 4.29Å; T435-V437 HydrophobicContact CG2-CG2 4.34Å; V437-V439 HydrophobicContact CG1-CG2 4.19Å; V437-N456 PolarHBondContact N-O 2.93Å; V437-T457 HydrophobicContact CB-CG2 4.41Å; V437-T457 CarbonylContact O-C 3.37Å; V437-T457 WeakPolarHBondContact O-CA 3.12Å; V437-I458 PolarHBondContact O-N 3.01Å
438	T	98.1	Very high	92.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.8	170.3	-58.8	0	0	0	0	108.3	V413 L414 L415 I458 I460 H478	V413-T438 PolarHBondContact O-N 3.35Å; L414-T438 HydrophobicContact CD1-CG2 4.02Å; L415-T438 PolarHBondContact N-O 2.74Å; T438-I458 CarbonylContact C-O 3.58Å; T438-I458 VanDerWaalsContact CA-O 3.29Å; T438-I458 WeakPolarHBondContact CA-O 3.46Å; T438-I460 HydrophobicContact CG2-CB 4.36Å; T438-I460 HydrophobicContact CG2-CD1 3.45Å; T438-I460 VanDerWaalsContact CG2-CD1 3.45Å; T438-I460 HydrophobicContact CG2-CG1 3.83Å; T438-H478 WeakPolarHBondContact CB-NE2 3.31Å; T438-H478 PolarHBondContact OG1-NE2 2.98Å
439	V	97.8	Very high	91.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.2	179.4	-177.6	0	0	0	0	108.5	L415 V426 V437 A447 L450 T457 I458 I460	L415-V439 HydrophobicContact CD2-CG2 4.36Å; V426-V439 HydrophobicContact CG2-CG2 3.82Å; V437-V439 HydrophobicContact CG1-CG2 4.19Å; V439-A447 HydrophobicContact CB-CB 4.31Å; V439-A447 HydrophobicContact CG1-CB 3.88Å; V439-L450 HydrophobicContact CG1-CD2 4.12Å; V439-L450 HydrophobicContact CG2-CD2 4.3Å; V439-T457 HydrophobicContact CG2-CG2 3.66Å; V439-I458 PolarHBondContact N-O 3.15Å; V439-I460 PolarHBondContact O-N 2.91Å
440	A	95.8	Very high	91.6	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.1	-179.3	0	0	0	0	0	111.1	L414 L415 L416 G417 I460 L462	L414-A440 HydrophobicContact CD1-CB 4.04Å; L415-A440 PolarHBondContact O-N 2.92Å; L416-A440 HydrophobicContact CD2-CB 3.92Å; G417-A440 PolarHBondContact N-O 2.79Å; A440-I460 WeakPolarHBondContact CA-O 3.36Å; A440-L462 HydrophobicContact CB-CB 3.96Å; A440-L462 HydrophobicContact CB-CD2 4Å
441	S	91.6	Very high	91.5	Very high	8 Å²	8	50 Å²	50	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.9	-174.2	-178.3	0	0	0	0	112	S418 L443 I460 M461 L462	S418-S441 VanDerWaalsContact OG-CB 3.27Å; S418-S441 WeakPolarHBondContact OG-CB 3.49Å; S418-S441 PolarHBondContact OG-OG 2.98Å; S441-L443 PolarHBondContact O-N 2.88Å; S441-L443 PolarHBondContact OG-N 3.49Å; S441-L443 VanDerWaalsContact OG-N 3.07Å; S441-L443 PolarHBondContact OG-O 3.1Å; S441-I460 PolarHBondContact N-O 3.48Å; S441-M461 VanDerWaalsContact O-CA 3.31Å; S441-M461 WeakPolarHBondContact O-CA 3.38Å; S441-L462 CarbonylContact C-O 3.45Å; S441-L462 PolarHBondContact O-N 3.28Å
442	V	84.7	Confident	91.4	Very high	81 Å²	81	48.7 Å²	48.7	49%	0.491	26%	0.263	S	S	.	.	S	Bend	trans	-64.9	-27.3	167.5	-68	0	0	0	0	112.2	L462 D463	V442-L462 WeakPolarHBondContact CG1-O 3.44Å; V442-L462 PolarHBondContact N-O 3.08Å; V442-D463 HydrophobicContact CG1-CB 3.75Å
443	L	81.8	Confident	91.3	Very high	92 Å²	92	53.5 Å²	53.5	48%	0.482	28%	0.276	S	S	.	.	S	Bend	trans	-99.4	90.9	174.1	-61.9	176.9	0	0	0	109	S441 K445 Q446 A447	S441-L443 PolarHBondContact O-N 2.88Å; S441-L443 PolarHBondContact OG-N 3.49Å; S441-L443 VanDerWaalsContact OG-N 3.07Å; S441-L443 PolarHBondContact OG-O 3.1Å; L443-K445 VanDerWaalsContact C-N 3.3Å; L443-K445 PolarHBondContact O-N 3.3Å; L443-Q446 HydrophobicContact CB-CB 4.23Å; L443-Q446 HydrophobicContact CB-CG 4.02Å; L443-Q446 VanDerWaalsContact CD1-CD 3.47Å; L443-Q446 HydrophobicContact CD1-CG 4.36Å; L443-Q446 PolarHBondContact O-N 2.66Å; L443-Q446 VanDerWaalsContact O-N 3.14Å; L443-A447 PolarHBondContact O-N 3.13Å
444	L	83	Confident	91.4	Very high	43 Å²	43	47.6 Å²	47.6	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-54.9	-45.3	-177.5	177.4	58.3	0	0	0	112	Q446 A447 E448 P459 M461	L444-Q446 PolarHBondContact O-N 3.28Å; L444-A447 CarbonylContact O-C 3.5Å; L444-A447 WeakPolarHBondContact O-CA 3.49Å; L444-A447 WeakPolarHBondContact O-CB 3.49Å; L444-A447 PolarHBondContact O-N 2.86Å; L444-E448 HydrophobicContact CD1-CG 4.09Å; L444-E448 HydrophobicContact CG-CG 4.15Å; L444-E448 WeakPolarHBondContact O-CG 3.39Å; L444-E448 PolarHBondContact O-N 3.02Å; L444-P459 HydrophobicContact CD1-CB 4.42Å; L444-M461 HydrophobicContact CB-CB 4.17Å; L444-M461 HydrophobicContact CB-CG 4.32Å; L444-M461 HydrophobicContact CD1-CB 4.27Å
445	K	81.3	Confident	91.3	Very high	142 Å²	142	50 Å²	50	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-54.3	-38.8	178.9	-175.4	175.1	178.9	177.3	0	113.3	L443 E448 E449	L443-K445 VanDerWaalsContact C-N 3.3Å; L443-K445 PolarHBondContact O-N 3.3Å; K445-E448 PolarHBondContact O-N 2.85Å; K445-E449 VanDerWaalsContact CE-OE1 3.22Å; K445-E449 WeakPolarHBondContact CE-OE1 3.17Å; K445-E449 WeakPolarHBondContact O-CB 3.29Å; K445-E449 VanDerWaalsContact O-CG 3.29Å; K445-E449 WeakPolarHBondContact O-CG 3.34Å; K445-E449 PolarHBondContact O-N 2.91Å
446	Q	85.2	Confident	91.1	Very high	85 Å²	85	51.6 Å²	51.6	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-67.9	-38.9	176.7	-69.5	-177.3	-10	0	0	111.7	S418 L443 L444 L450	S418-Q446 WeakPolarHBondContact OG-CB 3.4Å; S418-Q446 PolarHBondContact OG-OE1 3.34Å; L443-Q446 HydrophobicContact CB-CB 4.23Å; L443-Q446 HydrophobicContact CB-CG 4.02Å; L443-Q446 VanDerWaalsContact CD1-CD 3.47Å; L443-Q446 HydrophobicContact CD1-CG 4.36Å; L443-Q446 PolarHBondContact O-N 2.66Å; L443-Q446 VanDerWaalsContact O-N 3.14Å; L444-Q446 PolarHBondContact O-N 3.28Å; Q446-L450 WeakPolarHBondContact O-CB 3.22Å; Q446-L450 PolarHBondContact O-N 2.78Å
447	A	89.6	Confident	91	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-41.8	174.4	0	0	0	0	0	111.4	V439 L443 L444 L450 A451 P459	V439-A447 HydrophobicContact CB-CB 4.31Å; V439-A447 HydrophobicContact CG1-CB 3.88Å; L443-A447 PolarHBondContact O-N 3.13Å; L444-A447 CarbonylContact O-C 3.5Å; L444-A447 WeakPolarHBondContact O-CA 3.49Å; L444-A447 WeakPolarHBondContact O-CB 3.49Å; L444-A447 PolarHBondContact O-N 2.86Å; A447-L450 PolarHBondContact O-N 2.64Å; A447-A451 VanDerWaalsContact O-CB 3.24Å; A447-A451 WeakPolarHBondContact O-CB 3.23Å; A447-A451 PolarHBondContact O-N 3.5Å; A447-P459 HydrophobicContact CB-CB 3.87Å
448	E	89.6	Confident	90.8	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-47.3	175.8	-69.2	175.7	151.5	0	0	112	L444 K445 L450 A451 A452 P459	L444-E448 HydrophobicContact CD1-CG 4.09Å; L444-E448 HydrophobicContact CG-CG 4.15Å; L444-E448 WeakPolarHBondContact O-CG 3.39Å; L444-E448 PolarHBondContact O-N 3.02Å; K445-E448 PolarHBondContact O-N 2.85Å; E448-L450 PolarHBondContact O-N 2.63Å; E448-A451 PolarHBondContact O-N 2.7Å; E448-A452 VanDerWaalsContact O-CB 3.28Å; E448-A452 WeakPolarHBondContact O-CB 3.41Å; E448-A452 PolarHBondContact O-N 3.15Å; E448-P459 HydrophobicContact CB-CB 4.47Å; E448-P459 HydrophobicContact CG-CB 3.93Å; E448-P459 HydrophobicContact CG-CG 3.89Å
449	E	90.1	Very high	90.6	Very high	93 Å²	93	54.4 Å²	54.4	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-31.2	176.9	-76.6	176.3	-170.3	0	0	112.7	K445 R453	K445-E449 VanDerWaalsContact CE-OE1 3.22Å; K445-E449 WeakPolarHBondContact CE-OE1 3.17Å; K445-E449 WeakPolarHBondContact O-CB 3.29Å; K445-E449 VanDerWaalsContact O-CG 3.29Å; K445-E449 WeakPolarHBondContact O-CG 3.34Å; K445-E449 PolarHBondContact O-N 2.91Å; E449-R453 WeakPolarHBondContact O-CG 3.48Å; E449-R453 PolarHBondContact O-NE 2.98Å
450	L	92	Very high	90.3	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-76.9	-46.6	174.5	-179.7	55.1	0	0	0	111.1	V426 V439 Q446 A447 E448 A452 R453 Y454	V426-L450 HydrophobicContact CB-CD1 4.43Å; V426-L450 HydrophobicContact CG2-CD1 4.37Å; V426-L450 HydrophobicContact CG2-CD2 3.74Å; V426-L450 HydrophobicContact CG2-CG 4.05Å; V439-L450 HydrophobicContact CG1-CD2 4.12Å; V439-L450 HydrophobicContact CG2-CD2 4.3Å; Q446-L450 WeakPolarHBondContact O-CB 3.22Å; Q446-L450 PolarHBondContact O-N 2.78Å; A447-L450 PolarHBondContact O-N 2.64Å; E448-L450 PolarHBondContact O-N 2.63Å; L450-A452 VanDerWaalsContact C-N 3.33Å; L450-A452 PolarHBondContact O-N 3.01Å; L450-R453 PolarHBondContact O-N 3.12Å; L450-Y454 HydrophobicContact CD1-CD2 4.16Å; L450-Y454 HydrophobicContact CD1-CE2 3.77Å; L450-Y454 WeakPolarHBondContact O-CD2 3.4Å
451	A	92.4	Very high	90	Very high	9 Å²	9	55.5 Å²	55.5	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-35.3	-179.5	0	0	0	0	0	112.8	A447 E448 R453 Y454 T457 P459	A447-A451 VanDerWaalsContact O-CB 3.24Å; A447-A451 WeakPolarHBondContact O-CB 3.23Å; A447-A451 PolarHBondContact O-N 3.5Å; E448-A451 PolarHBondContact O-N 2.7Å; A451-R453 PolarHBondContact O-N 3.07Å; A451-R453 VanDerWaalsContact O-N 3.14Å; A451-Y454 PolarHBondContact O-N 3.29Å; A451-T457 HydrophobicContact CB-CG2 3.61Å; A451-P459 HydrophobicContact CB-CB 4.05Å; A451-P459 HydrophobicContact CB-CG 4.06Å
452	A	93.6	Very high	89.9	Confident	92 Å²	92	55.5 Å²	55.5	76%	0.76	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.2	178.3	0	0	0	0	0	113.7	E448 L450	E448-A452 VanDerWaalsContact O-CB 3.28Å; E448-A452 WeakPolarHBondContact O-CB 3.41Å; E448-A452 PolarHBondContact O-N 3.15Å; L450-A452 VanDerWaalsContact C-N 3.33Å; L450-A452 PolarHBondContact O-N 3.01Å
453	R	93	Very high	90	Very high	162 Å²	162	53.8 Å²	53.8	61%	0.611	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.6	-179.3	-60.9	177.3	-150.2	-167.4	3.7	113.3	E449 L450 A451	E449-R453 WeakPolarHBondContact O-CG 3.48Å; E449-R453 PolarHBondContact O-NE 2.98Å; L450-R453 PolarHBondContact O-N 3.12Å; A451-R453 PolarHBondContact O-N 3.07Å; A451-R453 VanDerWaalsContact O-N 3.14Å
454	Y	94.2	Very high	90.3	Very high	47 Å²	47	50 Å²	50	18%	0.184	26%	0.259	C	S	.	.	S	Bend	trans	-128.8	141.5	-168.8	-59	-66.3	0	0	0	111.8	V426 E427 L450 A451 T457 F798	V426-Y454 HydrophobicContact CB-CD2 4.03Å; V426-Y454 HydrophobicContact CB-CE2 4.4Å; V426-Y454 HydrophobicContact CG1-CD2 3.5Å; V426-Y454 VanDerWaalsContact CG1-CD2 3.5Å; V426-Y454 HydrophobicContact CG1-CE2 4.34Å; V426-Y454 HydrophobicContact CG1-CG 3.91Å; E427-Y454 HydrophobicContact CB-CD1 4.3Å; E427-Y454 HydrophobicContact CB-CE1 3.59Å; E427-Y454 HydrophobicContact CB-CE2 4.31Å; E427-Y454 HydrophobicContact CG-CD1 4.37Å; E427-Y454 HydrophobicContact CG-CE1 3.51Å; L450-Y454 HydrophobicContact CD1-CD2 4.16Å; L450-Y454 HydrophobicContact CD1-CE2 3.77Å; L450-Y454 WeakPolarHBondContact O-CD2 3.4Å; A451-Y454 PolarHBondContact O-N 3.29Å; Y454-T457 PolarHBondContact O-OG1 3.18Å; Y454-F798 VanDerWaalsContact OH-CZ 3.26Å; Y454-F798 WeakPolarHBondContact OH-CZ 3.48Å
455	P	91.4	Very high	90.2	Very high	79 Å²	79	51.8 Å²	51.8	51%	0.513	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	162	174.4	30.8	-35.3	0	0	0	110.3	T457	P455-T457 PolarHBondContact O-N 2.85Å; P455-T457 PolarHBondContact O-OG1 2.77Å
456	N	91.9	Very high	90.3	Very high	33 Å²	33	49 Å²	49	18%	0.176	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	27.9	172.1	-51.9	-25.1	0	0	0	114.3	R407 M410 T435 Q436 V437	R407-N456 PolarHBondContact NH1-OD1 2.94Å; M410-N456 HydrophobicContact CE-CB 4Å; M410-N456 VanDerWaalsContact CE-ND2 3.34Å; M410-N456 WeakPolarHBondContact CE-ND2 3.31Å; T435-N456 WeakPolarHBondContact O-CB 3.47Å; Q436-N456 WeakPolarHBondContact CA-O 3.28Å; Q436-N456 WeakPolarHBondContact CG-O 3.47Å; V437-N456 PolarHBondContact N-O 2.93Å
457	T	95.8	Very high	90.1	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.7	-178.7	-51.7	0	0	0	0	110.3	V426 V437 V439 A451 Y454 P455	V426-T457 HydrophobicContact CG1-CG2 3.82Å; V437-T457 HydrophobicContact CB-CG2 4.41Å; V437-T457 CarbonylContact O-C 3.37Å; V437-T457 WeakPolarHBondContact O-CA 3.12Å; V439-T457 HydrophobicContact CG2-CG2 3.66Å; A451-T457 HydrophobicContact CB-CG2 3.61Å; Y454-T457 PolarHBondContact O-OG1 3.18Å; P455-T457 PolarHBondContact O-N 2.85Å; P455-T457 PolarHBondContact O-OG1 2.77Å
458	I	94.3	Very high	90.1	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.2	-177.2	-59.5	171	0	0	0	108.6	Q403 I404 Q436 V437 T438 V439 I460	Q403-I458 HydrophobicContact CG-CD1 4.07Å; Q403-I458 HydrophobicContact CG-CG1 4.44Å; Q403-I458 HydrophobicContact CG-CG2 4.42Å; I404-I458 HydrophobicContact CG1-CD1 4.06Å; Q436-I458 HydrophobicContact CG-CD1 4.19Å; V437-I458 PolarHBondContact O-N 3.01Å; T438-I458 CarbonylContact C-O 3.58Å; T438-I458 VanDerWaalsContact CA-O 3.29Å; T438-I458 WeakPolarHBondContact CA-O 3.46Å; V439-I458 PolarHBondContact N-O 3.15Å; I458-I460 HydrophobicContact CG2-CD1 4.47Å; I458-I460 HydrophobicContact CG2-CG1 4.2Å
459	P	94.6	Very high	90	Very high	40 Å²	40	50.7 Å²	50.7	26%	0.26	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138	173.6	33.5	-32.3	0	0	0	110.9	L444 A447 E448 A451	L444-P459 HydrophobicContact CD1-CB 4.42Å; A447-P459 HydrophobicContact CB-CB 3.87Å; E448-P459 HydrophobicContact CB-CB 4.47Å; E448-P459 HydrophobicContact CG-CB 3.93Å; E448-P459 HydrophobicContact CG-CG 3.89Å; A451-P459 HydrophobicContact CB-CB 4.05Å; A451-P459 HydrophobicContact CB-CG 4.06Å
460	I	91.4	Very high	90	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.6	175.3	-65.5	-173.3	0	0	0	109.8	E400 I404 T438 V439 A440 S441 I458 L474	E400-I460 HydrophobicContact CB-CD1 4.04Å; E400-I460 HydrophobicContact CG-CD1 4.13Å; E400-I460 HydrophobicContact CG-CG1 4.37Å; I404-I460 HydrophobicContact CD1-CD1 3.88Å; T438-I460 HydrophobicContact CG2-CB 4.36Å; T438-I460 HydrophobicContact CG2-CD1 3.45Å; T438-I460 VanDerWaalsContact CG2-CD1 3.45Å; T438-I460 HydrophobicContact CG2-CG1 3.83Å; V439-I460 PolarHBondContact O-N 2.91Å; A440-I460 WeakPolarHBondContact CA-O 3.36Å; S441-I460 PolarHBondContact N-O 3.48Å; I458-I460 HydrophobicContact CG2-CD1 4.47Å; I458-I460 HydrophobicContact CG2-CG1 4.2Å; I460-L474 HydrophobicContact CD1-CD2 3.64Å; I460-L474 HydrophobicContact CG2-CD1 4.19Å
461	M	88.5	Confident	90.1	Very high	24 Å²	24	45.9 Å²	45.9	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.4	169.8	-167.6	-76.6	-70.8	0	0	108.8	S441 L444 H470	S441-M461 VanDerWaalsContact O-CA 3.31Å; S441-M461 WeakPolarHBondContact O-CA 3.38Å; L444-M461 HydrophobicContact CB-CB 4.17Å; L444-M461 HydrophobicContact CB-CG 4.32Å; L444-M461 HydrophobicContact CD1-CB 4.27Å; M461-H470 PolarHBondContact O-CE1 3.25Å
462	L	88.9	Confident	90.3	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	27%	0.273	C	S	.	.			trans	-150.7	123.7	176	179.6	71.7	0	0	0	110.9	L416 A440 S441 V442 Q467 H470 L471 L474	L416-L462 HydrophobicContact CD2-CD2 3.82Å; A440-L462 HydrophobicContact CB-CB 3.96Å; A440-L462 HydrophobicContact CB-CD2 4Å; S441-L462 CarbonylContact C-O 3.45Å; S441-L462 PolarHBondContact O-N 3.28Å; V442-L462 WeakPolarHBondContact CG1-O 3.44Å; V442-L462 PolarHBondContact N-O 3.08Å; L462-Q467 HydrophobicContact CD1-CB 4.12Å; L462-H470 HydrophobicContact CD1-CB 3.98Å; L462-L471 HydrophobicContact CD1-CB 4.32Å; L462-L471 HydrophobicContact CD2-CB 4.34Å; L462-L471 HydrophobicContact CD2-CD1 3.98Å; L462-L474 HydrophobicContact CD1-CD1 4.27Å; L462-L474 HydrophobicContact CD2-CD1 3.91Å; L462-L474 HydrophobicContact CG-CD1 4.49Å
463	D	86.9	Confident	90.2	Very high	46 Å²	46	43.3 Å²	43.3	25%	0.246	25%	0.248	C	C	.	.			trans	-96.8	100.2	161.6	-176.9	2.3	0	0	0	110.7	V442 S465 S466 Q467	V442-D463 HydrophobicContact CG1-CB 3.75Å; D463-S465 VanDerWaalsContact CG-OG 3.23Å; D463-S465 PolarHBondContact O-N 3.44Å; D463-S465 VanDerWaalsContact OD1-CB 3.29Å; D463-S465 WeakPolarHBondContact OD1-CB 3.48Å; D463-S465 PolarHBondContact OD1-N 3.1Å; D463-S465 PolarHBondContact OD1-OG 3.48Å; D463-S465 PolarHBondContact OD2-OG 3.42Å; D463-S465 VanDerWaalsContact OD2-OG 3.07Å; D463-S466 WeakPolarHBondContact CB-OG 3.39Å; D463-S466 PolarHBondContact O-N 2.81Å; D463-S466 PolarHBondContact OD2-OG 2.88Å; D463-Q467 HydrophobicContact CB-CG 4.49Å; D463-Q467 WeakPolarHBondContact O-CB 3.33Å; D463-Q467 PolarHBondContact O-N 3.49Å
464	A	88.3	Confident	90.4	Very high	13 Å²	13	35.8 Å²	35.8	11%	0.107	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.5	178.6	0	0	0	0	0	114	L471 L485	A464-L471 HydrophobicContact CB-CD2 4.41Å; A464-L485 HydrophobicContact CB-CD1 3.95Å
465	S	82.2	Confident	90.6	Very high	79 Å²	79	33.6 Å²	33.6	55%	0.552	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-26.9	178.2	77.7	0	0	0	0	113.8	D463	D463-S465 VanDerWaalsContact CG-OG 3.23Å; D463-S465 PolarHBondContact O-N 3.44Å; D463-S465 VanDerWaalsContact OD1-CB 3.29Å; D463-S465 WeakPolarHBondContact OD1-CB 3.48Å; D463-S465 PolarHBondContact OD1-N 3.1Å; D463-S465 PolarHBondContact OD1-OG 3.48Å; D463-S465 PolarHBondContact OD2-OG 3.42Å; D463-S465 VanDerWaalsContact OD2-OG 3.07Å
466	S	81.4	Confident	90.8	Very high	83 Å²	83	32.8 Å²	32.8	58%	0.58	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-23.8	-172.3	62.2	0	0	0	0	113.5	D463	D463-S466 WeakPolarHBondContact CB-OG 3.39Å; D463-S466 PolarHBondContact O-N 2.81Å; D463-S466 PolarHBondContact OD2-OG 2.88Å
467	Q	82.8	Confident	90.9	Very high	40 Å²	40	31.9 Å²	31.9	19%	0.187	20%	0.2	C	C	.	.			trans	-107	54.5	-175.4	-59.3	177.2	-61.2	0	0	112.7	E393 L462 D463 G469 H470 L471	E393-Q467 PolarHBondContact OE1-NE2 3.18Å; L462-Q467 HydrophobicContact CD1-CB 4.12Å; D463-Q467 HydrophobicContact CB-CG 4.49Å; D463-Q467 WeakPolarHBondContact O-CB 3.33Å; D463-Q467 PolarHBondContact O-N 3.49Å; Q467-G469 VanDerWaalsContact C-N 3.27Å; Q467-G469 PolarHBondContact O-N 3.29Å; Q467-H470 HydrophobicContact CB-CB 4.16Å; Q467-H470 PolarHBondContact O-N 3.06Å; Q467-L471 PolarHBondContact O-N 2.99Å
468	E	89.3	Confident	91	Very high	117 Å²	117	31.2 Å²	31.2	55%	0.547	20%	0.196	S	C	.	.	H	α-helix	trans	-57.4	-37	-176.5	-169.3	-177.5	169.2	0	0	113.2	D472 H496	E468-D472 WeakPolarHBondContact O-CB 3.4Å; E468-D472 PolarHBondContact O-N 2.88Å; E468-H496 WeakPolarHBondContact CG-CE1 3.27Å; E468-H496 VanDerWaalsContact CG-NE2 3.29Å; E468-H496 WeakPolarHBondContact CG-NE2 3.48Å; E468-H496 PolarHBondContact O-CE1 3.14Å; E468-H496 VanDerWaalsContact O-CE1 3.32Å; E468-H496 IonicContact OE1-CE1 3.19Å; E468-H496 IonicContact OE1-NE2 2.98Å
469	G	87.8	Confident	91.2	Very high	56 Å²	56	33.8 Å²	33.8	58%	0.577	21%	0.209	S	C	*	.	H	α-helix	trans	-65.5	-41.7	178	0	0	0	0	0	113.4	Q467 D472 S473	Q467-G469 VanDerWaalsContact C-N 3.27Å; Q467-G469 PolarHBondContact O-N 3.29Å; G469-D472 PolarHBondContact O-N 3.3Å; G469-S473 PolarHBondContact O-N 3.36Å
470	H	89.5	Confident	91.4	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.028	20%	0.197	C	C	.	.	H	α-helix	trans	-69.6	-42.3	178.1	-174.2	-158.5	0	0	0	110.9	E397 E400 M461 L462 Q467 D472 S473 L474	E397-H470 IonicContact OE1-CD2 3.63Å; E397-H470 IonicContact OE1-CG 3.57Å; E400-H470 IonicContact OE2-CD2 2.77Å; E400-H470 IonicContact OE2-CE1 2.74Å; E400-H470 PolarHBondContact OE2-CE1 2.84Å; E400-H470 IonicContact OE2-NE2 3.99Å; E400-H470 PolarHBondContact OE2-NE2 3.38Å; M461-H470 PolarHBondContact O-CE1 3.25Å; L462-H470 HydrophobicContact CD1-CB 3.98Å; Q467-H470 HydrophobicContact CB-CB 4.16Å; Q467-H470 PolarHBondContact O-N 3.06Å; H470-D472 VanDerWaalsContact C-N 3.31Å; H470-D472 PolarHBondContact O-N 3.47Å; H470-S473 WeakPolarHBondContact O-CB 3.33Å; H470-S473 PolarHBondContact O-N 2.9Å; H470-L474 WeakPolarHBondContact O-CG 3.49Å; H470-L474 PolarHBondContact O-N 3.23Å
471	L	94.9	Very high	91.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54.8	-47.3	171.2	173.9	61.4	0	0	0	111.1	L416 L462 A464 Q467 S473 L474 V475	L416-L471 HydrophobicContact CD1-CD1 3.97Å; L416-L471 HydrophobicContact CD2-CD1 4.12Å; L462-L471 HydrophobicContact CD1-CB 4.32Å; L462-L471 HydrophobicContact CD2-CB 4.34Å; L462-L471 HydrophobicContact CD2-CD1 3.98Å; A464-L471 HydrophobicContact CB-CD2 4.41Å; Q467-L471 PolarHBondContact O-N 2.99Å; L471-S473 VanDerWaalsContact C-N 3.34Å; L471-S473 PolarHBondContact O-N 3.39Å; L471-L474 PolarHBondContact O-N 3.21Å; L471-V475 HydrophobicContact CD1-CG2 4.02Å; L471-V475 HydrophobicContact CG-CG2 4.46Å; L471-V475 VanDerWaalsContact O-CG2 3.27Å; L471-V475 WeakPolarHBondContact O-CG2 3.47Å; L471-V475 PolarHBondContact O-N 3.02Å
472	D	94.9	Very high	92.2	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-38.5	179.5	-162.5	57.5	0	0	0	113.3	E468 G469 H470 T476 H496 R499 R500	E468-D472 WeakPolarHBondContact O-CB 3.4Å; E468-D472 PolarHBondContact O-N 2.88Å; G469-D472 PolarHBondContact O-N 3.3Å; H470-D472 VanDerWaalsContact C-N 3.31Å; H470-D472 PolarHBondContact O-N 3.47Å; D472-T476 PolarHBondContact O-N 2.77Å; D472-T476 PolarHBondContact O-OG1 3.36Å; D472-H496 VanDerWaalsContact CB-ND1 3.33Å; D472-H496 WeakPolarHBondContact CB-ND1 3.42Å; D472-H496 IonicContact OD1-CE1 3.3Å; D472-H496 IonicContact OD1-CG 2.88Å; D472-H496 IonicContact OD1-ND1 3.97Å; D472-H496 PolarHBondContact OD1-ND1 3.06Å; D472-R499 VanDerWaalsContact CG-CZ 3.46Å; D472-R499 IonicContact OD1-CZ 3.28Å; D472-R499 IonicContact OD1-NE 3.9Å; D472-R499 PolarHBondContact OD1-NE 3.38Å; D472-R499 IonicContact OD1-NH1 3.63Å; D472-R499 IonicContact OD1-NH2 3.6Å; D472-R499 PolarHBondContact OD1-NH2 3.49Å; D472-R499 IonicContact OD2-CZ 3.22Å; D472-R499 IonicContact OD2-NE 2.91Å; D472-R499 IonicContact OD2-NH1 2.81Å; D472-R499 IonicContact OD2-NH2 3.95Å; D472-R500 IonicContact OD1-NE 3.82Å; D472-R500 PolarHBondContact OD1-NE 2.96Å; D472-R500 IonicContact OD2-CZ 3.53Å; D472-R500 IonicContact OD2-NE 2.95Å; D472-R500 PolarHBondContact OD2-NE 3.29Å; D472-R500 IonicContact OD2-NH2 2.63Å; D472-R500 PolarHBondContact OD2-NH2 3.22Å
473	S	93.3	Very high	92.6	Very high	34 Å²	34	30.3 Å²	30.3	24%	0.238	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-48.4	174.4	-172.8	0	0	0	0	111	G469 H470 L471 T476 D477	G469-S473 PolarHBondContact O-N 3.36Å; H470-S473 WeakPolarHBondContact O-CB 3.33Å; H470-S473 PolarHBondContact O-N 2.9Å; L471-S473 VanDerWaalsContact C-N 3.34Å; L471-S473 PolarHBondContact O-N 3.39Å; S473-T476 WeakPolarHBondContact O-CB 3.28Å; S473-T476 PolarHBondContact O-N 2.99Å; S473-D477 PolarHBondContact O-N 3.26Å
474	L	96.4	Very high	93.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-49.1	176.9	-70.4	170.6	0	0	0	111	I404 L414 I460 L462 H470 L471 T476 D477 H478	I404-L474 HydrophobicContact CD1-CD2 3.91Å; L414-L474 HydrophobicContact CD1-CB 4.35Å; L414-L474 HydrophobicContact CD2-CB 3.81Å; I460-L474 HydrophobicContact CD1-CD2 3.64Å; I460-L474 HydrophobicContact CG2-CD1 4.19Å; L462-L474 HydrophobicContact CD1-CD1 4.27Å; L462-L474 HydrophobicContact CD2-CD1 3.91Å; L462-L474 HydrophobicContact CG-CD1 4.49Å; H470-L474 WeakPolarHBondContact O-CG 3.49Å; H470-L474 PolarHBondContact O-N 3.23Å; L471-L474 PolarHBondContact O-N 3.21Å; L474-T476 PolarHBondContact O-N 3.38Å; L474-D477 PolarHBondContact O-N 3.49Å; L474-H478 PolarHBondContact O-N 2.87Å; L474-H478 PolarHBondContact O-ND1 2.82Å
475	V	97.8	Very high	93.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.2	-42.1	177.4	173.9	0	0	0	0	110.7	L414 L471 D477 H478 V481 H496 R500 V502	L414-V475 HydrophobicContact CD2-CG2 4.09Å; L471-V475 HydrophobicContact CD1-CG2 4.02Å; L471-V475 HydrophobicContact CG-CG2 4.46Å; L471-V475 VanDerWaalsContact O-CG2 3.27Å; L471-V475 WeakPolarHBondContact O-CG2 3.47Å; L471-V475 PolarHBondContact O-N 3.02Å; V475-D477 PolarHBondContact O-N 2.97Å; V475-H478 PolarHBondContact O-N 3.25Å; V475-V481 HydrophobicContact CG1-CG2 4.2Å; V475-V481 HydrophobicContact CG2-CG2 4.01Å; V475-H496 HydrophobicContact CB-CB 4.47Å; V475-H496 HydrophobicContact CG1-CB 4.44Å; V475-H496 HydrophobicContact CG2-CB 4.09Å; V475-R500 HydrophobicContact CG1-CB 3.92Å; V475-R500 HydrophobicContact CG1-CG 4.13Å; V475-V502 HydrophobicContact CG1-CB 3.97Å; V475-V502 HydrophobicContact CG1-CG1 4.36Å; V475-V502 HydrophobicContact CG1-CG2 3.97Å; V475-V502 WeakPolarHBondContact O-CG2 3.43Å
476	T	95.9	Very high	93.6	Very high	63 Å²	63	30.8 Å²	30.8	39%	0.387	19%	0.188	S	C	.	.	H	α-helix	trans	-59.5	-33.6	178.2	-57.5	0	0	0	0	113.3	D472 S473 L474 H478 R500	D472-T476 PolarHBondContact O-N 2.77Å; D472-T476 PolarHBondContact O-OG1 3.36Å; S473-T476 WeakPolarHBondContact O-CB 3.28Å; S473-T476 PolarHBondContact O-N 2.99Å; L474-T476 PolarHBondContact O-N 3.38Å; T476-H478 VanDerWaalsContact C-N 3.34Å; T476-R500 WeakPolarHBondContact OG1-CD 3.04Å; T476-R500 PolarHBondContact OG1-NE 3.31Å; T476-R500 VanDerWaalsContact OG1-NE 3.12Å
477	D	94.8	Very high	93.9	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-86.6	-1.2	-175.8	-72	-25.6	0	0	0	113.5	K401 I404 R412 S473 L474 V475	K401-D477 WeakPolarHBondContact CG-OD2 3.47Å; K401-D477 IonicContact NZ-OD1 2.72Å; K401-D477 PolarHBondContact NZ-OD1 3.31Å; K401-D477 IonicContact NZ-OD2 2.65Å; K401-D477 PolarHBondContact NZ-OD2 2.98Å; I404-D477 HydrophobicContact CG2-CB 4.4Å; R412-D477 WeakPolarHBondContact CD-O 3.48Å; R412-D477 PolarHBondContact NE-O 3.08Å; S473-D477 PolarHBondContact O-N 3.26Å; L474-D477 PolarHBondContact O-N 3.49Å; V475-D477 PolarHBondContact O-N 2.97Å
478	H	97.8	Very high	94.3	Very high	6 Å²	6	36 Å²	36	3%	0.028	21%	0.205	C	C	.	.			trans	-120.1	156.9	-177.1	-63	79.2	0	0	0	112.9	R412 V413 L414 T438 L474 V475 T476	R412-H478 HydrophobicContact CB-CB 4.37Å; V413-H478 VanDerWaalsContact C-CD2 3.45Å; L414-H478 HydrophobicContact CB-CB 4.04Å; L414-H478 PolarHBondContact N-CD2 3.03Å; T438-H478 WeakPolarHBondContact CB-NE2 3.31Å; T438-H478 PolarHBondContact OG1-NE2 2.98Å; L474-H478 PolarHBondContact O-N 2.87Å; L474-H478 PolarHBondContact O-ND1 2.82Å; V475-H478 PolarHBondContact O-N 3.25Å; T476-H478 VanDerWaalsContact C-N 3.34Å
479	D	97.3	Very high	94.5	Very high	63 Å²	63	33 Å²	33	34%	0.337	19%	0.191	S	C	.	.	S	Bend	trans	-90	-24.4	179.7	-56.6	-58.3	0	0	0	112.4	K411 R412 L817	K411-D479 WeakPolarHBondContact CA-OD2 3.39Å; R412-D479 PolarHBondContact N-OD2 2.94Å; R412-D479 PolarHBondContact O-N 2.7Å; D479-L817 HydrophobicContact CB-CD2 4.23Å
480	L	98.6	Very high	94.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.2	-179.1	180	73.1	0	0	0	110.7	R412 V413 L414 I482 N503 V505 A813 V816 L817	R412-L480 PolarHBondContact O-N 2.92Å; V413-L480 WeakPolarHBondContact CA-O 3.48Å; V413-L480 HydrophobicContact CG1-CD2 4.44Å; V413-L480 HydrophobicContact CG2-CB 4.48Å; L414-L480 PolarHBondContact N-O 3.04Å; L480-I482 HydrophobicContact CD2-CG1 4.3Å; L480-N503 HydrophobicContact CD1-CB 3.51Å; L480-V505 HydrophobicContact CD1-CG2 4.25Å; L480-A813 HydrophobicContact CD2-CB 3.39Å; L480-V816 HydrophobicContact CD1-CB 4.45Å; L480-V816 HydrophobicContact CD1-CG1 3.91Å; L480-L817 HydrophobicContact CB-CD2 3.88Å; L480-L817 HydrophobicContact CB-CG 4.43Å; L480-L817 HydrophobicContact CD2-CD1 4.25Å; L480-L817 HydrophobicContact CD2-CD2 4.41Å; L480-L817 HydrophobicContact CD2-CG 4.03Å
481	V	98.8	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.8	170.5	-177.9	0	0	0	0	110.5	L414 L416 V475 V493 V502 N503 M504 V505	L414-V481 HydrophobicContact CB-CG2 4.3Å; L414-V481 HydrophobicContact CD2-CG2 4.29Å; L414-V481 CarbonylContact O-C 3.57Å; L414-V481 WeakPolarHBondContact O-CA 3.29Å; L416-V481 HydrophobicContact CD1-CG1 3.81Å; L416-V481 HydrophobicContact CG-CG1 4.07Å; V475-V481 HydrophobicContact CG1-CG2 4.2Å; V475-V481 HydrophobicContact CG2-CG2 4.01Å; V481-V493 HydrophobicContact CG1-CG1 3.83Å; V481-V502 HydrophobicContact CG2-CG1 3.95Å; V481-N503 PolarHBondContact N-O 3.05Å; V481-M504 CarbonylContact O-C 3.6Å; V481-M504 WeakPolarHBondContact O-CA 3.12Å; V481-V505 PolarHBondContact O-N 3.11Å
482	I	98.8	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.7	169.5	-54.6	176.4	0	0	0	107.8	V413 L414 L415 L416 V425 L429 L480 M484 V505 A813	V413-I482 HydrophobicContact CG1-CD1 3.62Å; V413-I482 HydrophobicContact CG1-CG1 3.82Å; L414-I482 PolarHBondContact O-N 3.46Å; L415-I482 HydrophobicContact CD1-CB 3.82Å; L415-I482 HydrophobicContact CD1-CG2 3.77Å; L416-I482 PolarHBondContact N-O 3.11Å; V425-I482 HydrophobicContact CG1-CD1 3.61Å; L429-I482 HydrophobicContact CD1-CD1 3.68Å; L480-I482 HydrophobicContact CD2-CG1 4.3Å; I482-M484 HydrophobicContact CG2-CE 4.08Å; I482-M484 HydrophobicContact CG2-CG 4.26Å; I482-V505 WeakPolarHBondContact CA-O 3.23Å; I482-V505 HydrophobicContact CG1-CB 4.43Å; I482-A813 HydrophobicContact CD1-CB 3.51Å; I482-A813 HydrophobicContact CG1-CB 4.09Å
483	S	98	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	106.7	178.2	-174.2	0	0	0	0	111.5	H490 V505 T506	S483-H490 PolarHBondContact OG-CE1 3.03Å; S483-H490 PolarHBondContact OG-ND1 3.27Å; S483-V505 PolarHBondContact N-O 3.13Å; S483-T506 PolarHBondContact O-OG1 2.95Å; S483-T506 VanDerWaalsContact O-OG1 3.13Å
484	M	95.8	Very high	95.7	Very high	32 Å²	32	32.2 Å²	32.2	16%	0.158	17%	0.171	C	C	.	.			trans	-103.7	17	170.2	-63.7	-56.9	-167.6	0	0	112.2	L415 L416 V421 V425 I482 A507 A809	L415-M484 HydrophobicContact CD1-CB 4.48Å; L415-M484 HydrophobicContact CD1-CG 3.83Å; L416-M484 CarbonylContact O-C 3.49Å; L416-M484 WeakPolarHBondContact O-CA 3.24Å; L416-M484 PolarHBondContact O-N 3.46Å; V421-M484 HydrophobicContact CG2-CB 4.47Å; V421-M484 HydrophobicContact CG2-CG 4.5Å; V421-M484 HydrophobicContact CG2-SD 4.3Å; V425-M484 HydrophobicContact CG2-CE 3.6Å; I482-M484 HydrophobicContact CG2-CE 4.08Å; I482-M484 HydrophobicContact CG2-CG 4.26Å; M484-A507 HydrophobicContact CE-CB 4.31Å; M484-A507 HydrophobicContact SD-CB 4.08Å; M484-A809 HydrophobicContact CE-CB 3.25Å
485	L	92.7	Very high	95.8	Very high	38 Å²	38	38 Å²	38	20%	0.199	20%	0.196	C	C	.	.	S	Bend	trans	-74.1	166.9	173.3	-61.2	-178.5	0	0	0	111.7	L416 A464 Y487 F489 H490 V493	L416-L485 HydrophobicContact CB-CD1 3.95Å; L416-L485 HydrophobicContact CB-CD2 4.39Å; L416-L485 HydrophobicContact CB-CG 3.89Å; L416-L485 HydrophobicContact CD1-CD1 4.32Å; L416-L485 PolarHBondContact O-N 3.38Å; A464-L485 HydrophobicContact CB-CD1 3.95Å; L485-Y487 PolarHBondContact O-N 2.73Å; L485-F489 HydrophobicContact CB-CB 4.18Å; L485-F489 HydrophobicContact CB-CD2 4.45Å; L485-F489 HydrophobicContact CD1-CB 4.13Å; L485-H490 PolarHBondContact O-CE1 2.74Å; L485-V493 HydrophobicContact CD1-CG2 4.43Å
486	P	89.6	Confident	95.8	Very high	79 Å²	79	38.1 Å²	38.1	51%	0.513	20%	0.197	S	C	.	.			trans	-52.4	140.3	167	-25.1	34	0	0	0	111.7	S488 F489	P486-S488 PolarHBondContact O-N 3.28Å; P486-F489 HydrophobicContact CB-CD2 4Å; P486-F489 HydrophobicContact CB-CE2 4.28Å; P486-F489 HydrophobicContact CG-CD2 4.19Å; P486-F489 HydrophobicContact CG-CE2 4.21Å; P486-F489 PolarHBondContact O-N 2.84Å
487	Y	87.9	Confident	95.9	Very high	156 Å²	156	35.1 Å²	35.1	61%	0.612	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-61.2	-17.9	-169.7	70.7	-93.2	0	0	0	115.2	L485 F489 H490	L485-Y487 PolarHBondContact O-N 2.73Å; Y487-F489 PolarHBondContact O-N 3.07Å; Y487-H490 WeakPolarHBondContact CA-NE2 3.37Å; Y487-H490 PolarHBondContact O-N 3.14Å
488	S	89.6	Confident	96.1	Very high	76 Å²	76	35.9 Å²	35.9	53%	0.531	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-64.4	-24.2	173.4	52.4	0	0	0	0	113.2	P486	P486-S488 PolarHBondContact O-N 3.28Å
489	F	93.6	Very high	96.1	Very high	55 Å²	55	41.9 Å²	41.9	24%	0.241	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-85.2	-17.5	179	-69.1	-77.9	0	0	0	113.4	L485 P486 Y487 I492 V493	L485-F489 HydrophobicContact CB-CB 4.18Å; L485-F489 HydrophobicContact CB-CD2 4.45Å; L485-F489 HydrophobicContact CD1-CB 4.13Å; P486-F489 HydrophobicContact CB-CD2 4Å; P486-F489 HydrophobicContact CB-CE2 4.28Å; P486-F489 HydrophobicContact CG-CD2 4.19Å; P486-F489 HydrophobicContact CG-CE2 4.21Å; P486-F489 PolarHBondContact O-N 2.84Å; Y487-F489 PolarHBondContact O-N 3.07Å; F489-I492 HydrophobicContact CD1-CD1 4.47Å; F489-I492 WeakPolarHBondContact O-CB 3.43Å; F489-I492 PolarHBondContact O-N 2.77Å; F489-V493 PolarHBondContact O-N 2.81Å; F489-V493 VanDerWaalsContact O-N 3.11Å
490	H	96.7	Very high	96.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-40.9	-175.3	-61.5	-16.5	0	0	0	113.9	S483 L485 Y487 I492 V493 A494 M504 T506 S508 M514	S483-H490 PolarHBondContact OG-CE1 3.03Å; S483-H490 PolarHBondContact OG-ND1 3.27Å; L485-H490 PolarHBondContact O-CE1 2.74Å; Y487-H490 WeakPolarHBondContact CA-NE2 3.37Å; Y487-H490 PolarHBondContact O-N 3.14Å; H490-I492 VanDerWaalsContact C-N 3.28Å; H490-I492 PolarHBondContact O-N 3.24Å; H490-V493 PolarHBondContact O-N 3.2Å; H490-A494 VanDerWaalsContact O-CB 3.23Å; H490-A494 WeakPolarHBondContact O-CB 3.43Å; H490-A494 PolarHBondContact O-N 3.37Å; H490-M504 HydrophobicContact CB-CE 4.21Å; H490-T506 PolarHBondContact CE1-OG1 3.32Å; H490-T506 PolarHBondContact NE2-OG1 2.94Å; H490-S508 WeakPolarHBondContact NE2-CB 3.1Å; H490-S508 PolarHBondContact NE2-OG 3.12Å; H490-M514 VanDerWaalsContact C-SD 3.6Å; H490-M514 HydrophobicContact CB-CG 4.31Å; H490-M514 HydrophobicContact CB-SD 3.89Å
491	P	97.3	Very high	96.1	Very high	21 Å²	21	51.5 Å²	51.5	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-34.1	176.3	-24.3	35.6	0	0	0	113.4	K495 A513 M514	P491-K495 VanDerWaalsContact O-CG 3.24Å; P491-K495 WeakPolarHBondContact O-CG 3.38Å; P491-K495 PolarHBondContact O-N 3.1Å; P491-K495 VanDerWaalsContact O-N 3.15Å; P491-A513 HydrophobicContact CG-CB 3.89Å; P491-M514 HydrophobicContact CG-CG 4.35Å; P491-M514 HydrophobicContact CG-SD 4.29Å
492	I	96.4	Very high	96.1	Very high	67 Å²	67	52 Å²	52	34%	0.344	24%	0.243	S	C	.	.	H	α-helix	trans	-68.7	-52.8	177.7	-62	170.3	0	0	0	108.7	F489 H490 A494 K495 H496	F489-I492 HydrophobicContact CD1-CD1 4.47Å; F489-I492 WeakPolarHBondContact O-CB 3.43Å; F489-I492 PolarHBondContact O-N 2.77Å; H490-I492 VanDerWaalsContact C-N 3.28Å; H490-I492 PolarHBondContact O-N 3.24Å; I492-A494 VanDerWaalsContact C-N 3.31Å; I492-A494 PolarHBondContact O-N 2.95Å; I492-K495 WeakPolarHBondContact O-CB 3.38Å; I492-K495 PolarHBondContact O-N 3.05Å; I492-K495 VanDerWaalsContact O-N 3.12Å; I492-H496 PolarHBondContact O-CD2 2.85Å; I492-H496 PolarHBondContact O-N 3.35Å
493	V	98	Very high	96.1	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-43.6	177.8	178.5	0	0	0	0	111.6	L416 V481 L485 F489 H490 K495 H496 C497 M504	L416-V493 HydrophobicContact CD1-CB 4.31Å; L416-V493 HydrophobicContact CD1-CG1 3.63Å; L416-V493 HydrophobicContact CD1-CG2 3.61Å; V481-V493 HydrophobicContact CG1-CG1 3.83Å; L485-V493 HydrophobicContact CD1-CG2 4.43Å; F489-V493 PolarHBondContact O-N 2.81Å; F489-V493 VanDerWaalsContact O-N 3.11Å; H490-V493 PolarHBondContact O-N 3.2Å; V493-K495 VanDerWaalsContact C-N 3.34Å; V493-K495 PolarHBondContact O-N 2.85Å; V493-H496 WeakPolarHBondContact O-CB 3.39Å; V493-H496 PolarHBondContact O-N 2.85Å; V493-C497 PolarHBondContact O-N 3.4Å; V493-C497 PolarHBondContact O-SG 3.03Å; V493-M504 HydrophobicContact CB-CE 4.2Å; V493-M504 HydrophobicContact CG1-CE 3.98Å; V493-M504 HydrophobicContact CG1-SD 4.13Å
494	A	98.3	Very high	96.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-38.8	178.6	0	0	0	0	0	112.2	H490 I492 H496 C497 I498 M504 M514 L517 I528	H490-A494 VanDerWaalsContact O-CB 3.23Å; H490-A494 WeakPolarHBondContact O-CB 3.43Å; H490-A494 PolarHBondContact O-N 3.37Å; I492-A494 VanDerWaalsContact C-N 3.31Å; I492-A494 PolarHBondContact O-N 2.95Å; A494-H496 VanDerWaalsContact C-N 3.33Å; A494-H496 PolarHBondContact O-N 3.38Å; A494-C497 WeakPolarHBondContact O-CB 3.28Å; A494-C497 PolarHBondContact O-N 3.08Å; A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 WeakPolarHBondContact O-CD1 3.32Å; A494-I498 WeakPolarHBondContact O-CG1 3.36Å; A494-I498 PolarHBondContact O-N 3.42Å; A494-M504 HydrophobicContact CB-SD 4Å; A494-M514 HydrophobicContact CB-CE 3.84Å; A494-M514 HydrophobicContact CB-SD 3.83Å; A494-L517 HydrophobicContact CB-CD1 3.76Å; A494-I528 HydrophobicContact CB-CD1 4.2Å
495	K	98.1	Very high	96.3	Very high	127 Å²	127	52 Å²	52	55%	0.552	24%	0.244	S	C	*	.	H	α-helix	trans	-61.2	-39.9	175	-74.3	168.2	-177.6	-179.4	0	112.4	P491 I492 V493 R499 L517	P491-K495 VanDerWaalsContact O-CG 3.24Å; P491-K495 WeakPolarHBondContact O-CG 3.38Å; P491-K495 PolarHBondContact O-N 3.1Å; P491-K495 VanDerWaalsContact O-N 3.15Å; I492-K495 WeakPolarHBondContact O-CB 3.38Å; I492-K495 PolarHBondContact O-N 3.05Å; I492-K495 VanDerWaalsContact O-N 3.12Å; V493-K495 VanDerWaalsContact C-N 3.34Å; V493-K495 PolarHBondContact O-N 2.85Å; K495-R499 WeakPolarHBondContact O-CB 3.32Å; K495-R499 PolarHBondContact O-N 2.96Å; K495-L517 HydrophobicContact CG-CD1 4.47Å; K495-L517 HydrophobicContact CG-CD2 4.37Å
496	H	98.2	Very high	96.5	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-46.6	172.5	-72.3	-86.1	0	0	0	111.9	E468 D472 V475 I492 V493 A494 I498 R499 R500	E468-H496 WeakPolarHBondContact CG-CE1 3.27Å; E468-H496 VanDerWaalsContact CG-NE2 3.29Å; E468-H496 WeakPolarHBondContact CG-NE2 3.48Å; E468-H496 PolarHBondContact O-CE1 3.14Å; E468-H496 VanDerWaalsContact O-CE1 3.32Å; E468-H496 IonicContact OE1-CE1 3.19Å; E468-H496 IonicContact OE1-NE2 2.98Å; D472-H496 VanDerWaalsContact CB-ND1 3.33Å; D472-H496 WeakPolarHBondContact CB-ND1 3.42Å; D472-H496 IonicContact OD1-CE1 3.3Å; D472-H496 IonicContact OD1-CG 2.88Å; D472-H496 IonicContact OD1-ND1 3.97Å; D472-H496 PolarHBondContact OD1-ND1 3.06Å; V475-H496 HydrophobicContact CB-CB 4.47Å; V475-H496 HydrophobicContact CG1-CB 4.44Å; V475-H496 HydrophobicContact CG2-CB 4.09Å; I492-H496 PolarHBondContact O-CD2 2.85Å; I492-H496 PolarHBondContact O-N 3.35Å; V493-H496 WeakPolarHBondContact O-CB 3.39Å; V493-H496 PolarHBondContact O-N 2.85Å; A494-H496 VanDerWaalsContact C-N 3.33Å; A494-H496 PolarHBondContact O-N 3.38Å; H496-I498 VanDerWaalsContact C-N 3.34Å; H496-I498 PolarHBondContact O-N 3.21Å; H496-R499 PolarHBondContact CE1-NH2 2.92Å; H496-R499 PolarHBondContact ND1-NH2 3.06Å; H496-R499 PolarHBondContact O-N 3.49Å; H496-R500 WeakPolarHBondContact O-CB 3.48Å; H496-R500 WeakPolarHBondContact O-CG 3.09Å; H496-R500 PolarHBondContact O-N 2.97Å
497	C	98.6	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-45	177.9	-66.1	0	0	0	0	111.6	V493 A494 R500 K501 V502 I526	V493-C497 PolarHBondContact O-N 3.4Å; V493-C497 PolarHBondContact O-SG 3.03Å; A494-C497 WeakPolarHBondContact O-CB 3.28Å; A494-C497 PolarHBondContact O-N 3.08Å; C497-R500 CarbonylContact O-C 3.5Å; C497-R500 PolarHBondContact O-N 3.23Å; C497-K501 CarbonylContact O-C 3.56Å; C497-K501 WeakPolarHBondContact O-CA 3.33Å; C497-K501 PolarHBondContact O-N 3.17Å; C497-V502 WeakPolarHBondContact CB-O 3.46Å; C497-V502 PolarHBondContact O-N 3.38Å; C497-I526 HydrophobicContact CB-CD1 4.29Å
498	I	98.5	Very high	97.1	Very high	29 Å²	29	41.1 Å²	41.1	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-52.1	175.3	-69.8	162.3	0	0	0	110.6	A494 H496 R500 K501 L517 V521 A524 I526	A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 WeakPolarHBondContact O-CD1 3.32Å; A494-I498 WeakPolarHBondContact O-CG1 3.36Å; A494-I498 PolarHBondContact O-N 3.42Å; H496-I498 VanDerWaalsContact C-N 3.34Å; H496-I498 PolarHBondContact O-N 3.21Å; I498-R500 VanDerWaalsContact C-N 3.28Å; I498-R500 PolarHBondContact O-N 3.46Å; I498-K501 PolarHBondContact O-N 3.06Å; I498-L517 HydrophobicContact CD1-CB 4.12Å; I498-L517 HydrophobicContact CD1-CD1 4.32Å; I498-V521 HydrophobicContact CD1-CG2 3.67Å; I498-V521 HydrophobicContact CG1-CG2 3.86Å; I498-A524 HydrophobicContact CG2-CB 4.03Å; I498-I526 HydrophobicContact CG1-CD1 3.91Å
499	R	97.9	Very high	97.2	Very high	132 Å²	132	40 Å²	40	50%	0.498	18%	0.181	S	C	.	.	H	α-helix	trans	-59.4	-38.8	-179.6	173.8	171.9	52.4	178	-22	112.4	D472 K495 H496	D472-R499 VanDerWaalsContact CG-CZ 3.46Å; D472-R499 IonicContact OD1-CZ 3.28Å; D472-R499 IonicContact OD1-NE 3.9Å; D472-R499 PolarHBondContact OD1-NE 3.38Å; D472-R499 IonicContact OD1-NH1 3.63Å; D472-R499 IonicContact OD1-NH2 3.6Å; D472-R499 PolarHBondContact OD1-NH2 3.49Å; D472-R499 IonicContact OD2-CZ 3.22Å; D472-R499 IonicContact OD2-NE 2.91Å; D472-R499 IonicContact OD2-NH1 2.81Å; D472-R499 IonicContact OD2-NH2 3.95Å; K495-R499 WeakPolarHBondContact O-CB 3.32Å; K495-R499 PolarHBondContact O-N 2.96Å; H496-R499 PolarHBondContact CE1-NH2 2.92Å; H496-R499 PolarHBondContact ND1-NH2 3.06Å; H496-R499 PolarHBondContact O-N 3.49Å
500	R	97.9	Very high	97.2	Very high	111 Å²	111	38.8 Å²	38.8	42%	0.419	18%	0.177	S	C	.	.	H	α-helix	trans	-93.3	-3.3	-176.8	-59.6	-55.6	-177.8	168.5	2.7	113.8	D472 V475 T476 H496 C497 I498 V502	D472-R500 IonicContact OD1-NE 3.82Å; D472-R500 PolarHBondContact OD1-NE 2.96Å; D472-R500 IonicContact OD2-CZ 3.53Å; D472-R500 IonicContact OD2-NE 2.95Å; D472-R500 PolarHBondContact OD2-NE 3.29Å; D472-R500 IonicContact OD2-NH2 2.63Å; D472-R500 PolarHBondContact OD2-NH2 3.22Å; V475-R500 HydrophobicContact CG1-CB 3.92Å; V475-R500 HydrophobicContact CG1-CG 4.13Å; T476-R500 WeakPolarHBondContact OG1-CD 3.04Å; T476-R500 PolarHBondContact OG1-NE 3.31Å; T476-R500 VanDerWaalsContact OG1-NE 3.12Å; H496-R500 WeakPolarHBondContact O-CB 3.48Å; H496-R500 WeakPolarHBondContact O-CG 3.09Å; H496-R500 PolarHBondContact O-N 2.97Å; C497-R500 CarbonylContact O-C 3.5Å; C497-R500 PolarHBondContact O-N 3.23Å; I498-R500 VanDerWaalsContact C-N 3.28Å; I498-R500 PolarHBondContact O-N 3.46Å; R500-V502 VanDerWaalsContact C-N 3.32Å; R500-V502 HydrophobicContact CB-CG2 3.95Å
501	K	98.3	Very high	97.1	Very high	154 Å²	154	39.7 Å²	39.7	67%	0.67	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	43.3	-175.9	-55.8	-174.7	178.6	-172.2	0	113.1	C497 I498 I526	C497-K501 CarbonylContact O-C 3.56Å; C497-K501 WeakPolarHBondContact O-CA 3.33Å; C497-K501 PolarHBondContact O-N 3.17Å; I498-K501 PolarHBondContact O-N 3.06Å; K501-I526 HydrophobicContact CB-CG2 4.13Å
502	V	98.6	Very high	96.9	Very high	10 Å²	10	43.6 Å²	43.6	6%	0.061	21%	0.209	C	C	.	.			trans	-106.8	138.3	179.3	-179.7	0	0	0	0	109.1	V475 V481 C497 R500 I526	V475-V502 HydrophobicContact CG1-CB 3.97Å; V475-V502 HydrophobicContact CG1-CG1 4.36Å; V475-V502 HydrophobicContact CG1-CG2 3.97Å; V475-V502 WeakPolarHBondContact O-CG2 3.43Å; V481-V502 HydrophobicContact CG2-CG1 3.95Å; C497-V502 WeakPolarHBondContact CB-O 3.46Å; C497-V502 PolarHBondContact O-N 3.38Å; R500-V502 VanDerWaalsContact C-N 3.32Å; R500-V502 HydrophobicContact CB-CG2 3.95Å; V502-I526 WeakPolarHBondContact O-CD1 3.49Å
503	N	98.7	Very high	96.8	Very high	33 Å²	33	42.4 Å²	42.4	18%	0.176	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	161.5	178.3	-63.7	-43.5	0	0	0	110.9	L480 V481 T527 V816	L480-N503 HydrophobicContact CD1-CB 3.51Å; V481-N503 PolarHBondContact N-O 3.05Å; N503-T527 WeakPolarHBondContact CA-O 3.22Å; N503-T527 WeakPolarHBondContact CB-O 3.35Å; N503-T527 PolarHBondContact OD1-N 2.97Å; N503-V816 HydrophobicContact CB-CG1 3.71Å
504	M	98.6	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.7	179.7	-179	-174.7	173	0	0	112.4	V481 H490 V493 A494 T527 I528 V529	V481-M504 CarbonylContact O-C 3.6Å; V481-M504 WeakPolarHBondContact O-CA 3.12Å; H490-M504 HydrophobicContact CB-CE 4.21Å; V493-M504 HydrophobicContact CB-CE 4.2Å; V493-M504 HydrophobicContact CG1-CE 3.98Å; V493-M504 HydrophobicContact CG1-SD 4.13Å; A494-M504 HydrophobicContact CB-SD 4Å; M504-T527 PolarHBondContact N-O 3.14Å; M504-I528 HydrophobicContact CB-CB 4.4Å; M504-I528 HydrophobicContact CB-CD1 4.29Å; M504-I528 HydrophobicContact CB-CG1 3.97Å; M504-I528 HydrophobicContact CB-CG2 4.05Å; M504-I528 HydrophobicContact CG-CG2 4.28Å; M504-I528 CarbonylContact O-C 3.59Å; M504-I528 VanDerWaalsContact O-CA 3.23Å; M504-I528 WeakPolarHBondContact O-CA 3.34Å; M504-I528 HydrophobicContact SD-CD1 4.41Å; M504-I528 HydrophobicContact SD-CG2 4.24Å; M504-V529 PolarHBondContact O-N 3.3Å
505	V	98.8	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.7	169.5	175.8	0	0	0	0	109.9	L480 V481 I482 S483 V529 M532 A809 A812 A813 V816	L480-V505 HydrophobicContact CD1-CG2 4.25Å; V481-V505 PolarHBondContact O-N 3.11Å; I482-V505 WeakPolarHBondContact CA-O 3.23Å; I482-V505 HydrophobicContact CG1-CB 4.43Å; S483-V505 PolarHBondContact N-O 3.13Å; V505-V529 CarbonylContact C-O 3.57Å; V505-V529 WeakPolarHBondContact CA-O 3.41Å; V505-V529 HydrophobicContact CG2-CB 4.26Å; V505-V529 HydrophobicContact CG2-CG2 4.46Å; V505-M532 HydrophobicContact CG1-CB 4.34Å; V505-M532 HydrophobicContact CG1-CG 4.48Å; V505-A809 HydrophobicContact CG1-CB 4.25Å; V505-A812 HydrophobicContact CG1-CB 4.02Å; V505-A812 HydrophobicContact CG2-CB 4.31Å; V505-A813 HydrophobicContact CG2-CB 4.4Å; V505-V816 HydrophobicContact CG2-CG2 4.49Å
506	T	98.1	Very high	96.6	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	147.8	171.8	-178.5	0	0	0	0	112.1	S483 H490 S508 V529 N530 E531 M532	S483-T506 PolarHBondContact O-OG1 2.95Å; S483-T506 VanDerWaalsContact O-OG1 3.13Å; H490-T506 PolarHBondContact CE1-OG1 3.32Å; H490-T506 PolarHBondContact NE2-OG1 2.94Å; T506-S508 VanDerWaalsContact C-N 3.27Å; T506-S508 PolarHBondContact O-N 2.84Å; T506-S508 PolarHBondContact OG1-N 3.3Å; T506-V529 PolarHBondContact N-O 3.39Å; T506-N530 HydrophobicContact CG2-CB 4.19Å; T506-N530 CarbonylContact O-C 3.58Å; T506-E531 PolarHBondContact O-N 2.91Å; T506-M532 PolarHBondContact O-N 2.98Å; T506-M532 VanDerWaalsContact O-N 3.12Å
507	A	95.9	Very high	96.6	Very high	16 Å²	16	50 Å²	50	13%	0.132	25%	0.245	C	C	.	.	S	Bend	trans	-87.7	12.8	175.1	0	0	0	0	0	113.7	M484 M532 V805	M484-A507 HydrophobicContact CE-CB 4.31Å; M484-A507 HydrophobicContact SD-CB 4.08Å; A507-M532 WeakPolarHBondContact CB-O 3.22Å; A507-V805 HydrophobicContact CB-CG1 3.77Å
508	S	93.4	Very high	96.5	Very high	28 Å²	28	52.7 Å²	52.7	20%	0.196	26%	0.258	C	S	.	.	S	Bend	trans	-105.8	157.2	-175.5	-63.6	0	0	0	0	113.2	H490 T506 E531	H490-S508 WeakPolarHBondContact NE2-CB 3.1Å; H490-S508 PolarHBondContact NE2-OG 3.12Å; T506-S508 VanDerWaalsContact C-N 3.27Å; T506-S508 PolarHBondContact O-N 2.84Å; T506-S508 PolarHBondContact OG1-N 3.3Å; S508-E531 WeakPolarHBondContact O-CG 3.21Å; S508-E531 PolarHBondContact O-N 3.27Å
509	Y	91.6	Very high	96.4	Very high	52 Å²	52	54.8 Å²	54.8	20%	0.204	28%	0.275	C	S	.	.			trans	-47.7	141.1	170	-79	-76	0	0	0	112.7	S511 E531 D535 P536 R653	Y509-S511 PolarHBondContact O-N 3.28Å; Y509-E531 WeakPolarHBondContact CA-OE1 3.27Å; Y509-D535 PolarHBondContact OH-OD1 2.51Å; Y509-P536 HydrophobicContact CD1-CB 4.04Å; Y509-P536 HydrophobicContact CD1-CG 3.72Å; Y509-P536 HydrophobicContact CD2-CG 3.76Å; Y509-P536 HydrophobicContact CE1-CB 3.71Å; Y509-P536 HydrophobicContact CE1-CG 3.78Å; Y509-P536 HydrophobicContact CE2-CB 4.4Å; Y509-P536 VanDerWaalsContact CE2-CD 3.43Å; Y509-P536 HydrophobicContact CE2-CG 3.81Å; Y509-P536 HydrophobicContact CG-CG 3.72Å; Y509-R653 PolarHBondContact OH-NH2 2.89Å
510	L	94.3	Very high	96.4	Very high	29 Å²	29	50.9 Å²	50.9	15%	0.152	27%	0.268	C	S	.	.			trans	-72.5	91.3	169.5	180	61.3	0	0	0	109.6	M514 K515 N530 E531 L826 V828	L510-M514 HydrophobicContact CD1-CB 3.68Å; L510-K515 HydrophobicContact CD1-CG 4.17Å; L510-K515 HydrophobicContact CD2-CD 4.47Å; L510-K515 HydrophobicContact CD2-CG 3.92Å; L510-K515 HydrophobicContact CG-CD 4.45Å; L510-K515 HydrophobicContact CG-CG 3.71Å; L510-N530 HydrophobicContact CB-CB 4.2Å; L510-N530 HydrophobicContact CD1-CB 4.5Å; L510-E531 PolarHBondContact N-OE1 3.1Å; L510-L826 HydrophobicContact CD1-CB 4.29Å; L510-L826 HydrophobicContact CD1-CD1 4.18Å; L510-L826 HydrophobicContact CD1-CD2 4.19Å; L510-L826 HydrophobicContact CD1-CG 4.47Å; L510-V828 HydrophobicContact CB-CG1 4.31Å; L510-V828 HydrophobicContact CD2-CG1 4.25Å
511	S	92.8	Very high	96.4	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.154	25%	0.248	C	C	.	.			trans	-67.9	158.6	-176.9	71.7	0	0	0	0	112.6	Y509 A513 M514 K515	Y509-S511 PolarHBondContact O-N 3.28Å; S511-A513 VanDerWaalsContact C-N 3.28Å; S511-A513 PolarHBondContact O-N 2.8Å; S511-M514 WeakPolarHBondContact O-CB 3.38Å; S511-M514 PolarHBondContact O-N 3Å; S511-M514 WeakPolarHBondContact OG-CG 3.35Å; S511-M514 PolarHBondContact OG-N 2.9Å; S511-K515 PolarHBondContact O-N 3.13Å
512	P	93.6	Very high	96.4	Very high	102 Å²	102	43.2 Å²	43.2	66%	0.662	24%	0.239	S	C	*	.	H	α-helix	trans	-53.3	-44.3	173.2	-27.1	35.7	0	0	0	113	M514 K515 E516	P512-M514 VanDerWaalsContact C-N 3.28Å; P512-M514 PolarHBondContact O-N 3.07Å; P512-K515 WeakPolarHBondContact O-CB 3.43Å; P512-K515 PolarHBondContact O-N 2.92Å; P512-E516 PolarHBondContact O-N 2.98Å
513	A	95.3	Very high	96.3	Very high	42 Å²	42	50.6 Å²	50.6	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-31.1	177	0	0	0	0	0	113.4	P491 S511	P491-A513 HydrophobicContact CG-CB 3.89Å; S511-A513 VanDerWaalsContact C-N 3.28Å; S511-A513 PolarHBondContact O-N 2.8Å
514	M	96.8	Very high	96.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-72.8	-41.9	171	-76.6	-67.2	-65.9	0	0	111.4	H490 P491 A494 L510 S511 P512 E516 L517 I528 L826	H490-M514 VanDerWaalsContact C-SD 3.6Å; H490-M514 HydrophobicContact CB-CG 4.31Å; H490-M514 HydrophobicContact CB-SD 3.89Å; P491-M514 HydrophobicContact CG-CG 4.35Å; P491-M514 HydrophobicContact CG-SD 4.29Å; A494-M514 HydrophobicContact CB-CE 3.84Å; A494-M514 HydrophobicContact CB-SD 3.83Å; L510-M514 HydrophobicContact CD1-CB 3.68Å; S511-M514 WeakPolarHBondContact O-CB 3.38Å; S511-M514 PolarHBondContact O-N 3Å; S511-M514 WeakPolarHBondContact OG-CG 3.35Å; S511-M514 PolarHBondContact OG-N 2.9Å; P512-M514 VanDerWaalsContact C-N 3.28Å; P512-M514 PolarHBondContact O-N 3.07Å; M514-E516 PolarHBondContact O-N 2.9Å; M514-L517 VanDerWaalsContact O-CB 3.32Å; M514-L517 WeakPolarHBondContact O-CB 3.43Å; M514-L517 PolarHBondContact O-N 3.02Å; M514-L517 HydrophobicContact SD-CD1 4.3Å; M514-I528 HydrophobicContact CE-CG2 4.12Å; M514-L826 HydrophobicContact CE-CD2 3.9Å; M514-L826 WeakPolarHBondContact O-CD1 3.48Å
515	K	95.6	Very high	96.2	Very high	110 Å²	110	51.6 Å²	51.6	48%	0.478	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-33	177.7	-69.7	-173.9	178.7	-175.3	0	112.9	L510 S511 P512 L517 Q518	L510-K515 HydrophobicContact CD1-CG 4.17Å; L510-K515 HydrophobicContact CD2-CD 4.47Å; L510-K515 HydrophobicContact CD2-CG 3.92Å; L510-K515 HydrophobicContact CG-CD 4.45Å; L510-K515 HydrophobicContact CG-CG 3.71Å; S511-K515 PolarHBondContact O-N 3.13Å; P512-K515 WeakPolarHBondContact O-CB 3.43Å; P512-K515 PolarHBondContact O-N 2.92Å; K515-L517 PolarHBondContact O-N 3.42Å; K515-L517 VanDerWaalsContact O-N 3.14Å; K515-Q518 VanDerWaalsContact O-CB 3.29Å; K515-Q518 WeakPolarHBondContact O-CB 3.4Å; K515-Q518 PolarHBondContact O-N 3.24Å
516	E	97.6	Very high	96.2	Very high	157 Å²	157	51.7 Å²	51.7	73%	0.734	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.4	173	-72.7	170.3	-163.5	0	0	113	P512 M514	P512-E516 PolarHBondContact O-N 2.98Å; M514-E516 PolarHBondContact O-N 2.9Å
517	L	97.4	Very high	96.2	Very high	21 Å²	21	51.8 Å²	51.8	11%	0.11	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.2	177.9	-54.5	176.7	0	0	0	113.5	A494 K495 I498 M514 K515 S519 S520 V521	A494-L517 HydrophobicContact CB-CD1 3.76Å; K495-L517 HydrophobicContact CG-CD1 4.47Å; K495-L517 HydrophobicContact CG-CD2 4.37Å; I498-L517 HydrophobicContact CD1-CB 4.12Å; I498-L517 HydrophobicContact CD1-CD1 4.32Å; M514-L517 VanDerWaalsContact O-CB 3.32Å; M514-L517 WeakPolarHBondContact O-CB 3.43Å; M514-L517 PolarHBondContact O-N 3.02Å; M514-L517 HydrophobicContact SD-CD1 4.3Å; K515-L517 PolarHBondContact O-N 3.42Å; K515-L517 VanDerWaalsContact O-N 3.14Å; L517-S519 PolarHBondContact O-N 3.36Å; L517-S520 WeakPolarHBondContact O-CB 3.37Å; L517-S520 PolarHBondContact O-N 2.87Å; L517-S520 VanDerWaalsContact O-N 3.1Å; L517-V521 HydrophobicContact CB-CG2 4.3Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.49Å; L517-V521 PolarHBondContact O-N 3.12Å
518	Q	96.8	Very high	96.3	Very high	58 Å²	58	51 Å²	51	27%	0.271	28%	0.284	S	S	.	.	H	α-helix	trans	-48.4	-56.6	-174.1	-178.8	75.4	28.8	0	0	112.7	K515 S520 V521 E522 L826	K515-Q518 VanDerWaalsContact O-CB 3.29Å; K515-Q518 WeakPolarHBondContact O-CB 3.4Å; K515-Q518 PolarHBondContact O-N 3.24Å; Q518-S520 VanDerWaalsContact C-N 3.31Å; Q518-S520 PolarHBondContact O-N 2.62Å; Q518-V521 PolarHBondContact O-N 2.65Å; Q518-V521 VanDerWaalsContact O-N 3.17Å; Q518-E522 PolarHBondContact NE2-OE1 2.87Å; Q518-E522 WeakPolarHBondContact O-CG 3.17Å; Q518-E522 PolarHBondContact O-N 2.87Å; Q518-L826 HydrophobicContact CB-CD1 4.11Å; Q518-L826 VanDerWaalsContact OE1-CB 3.29Å
519	S	96.9	Very high	96.6	Very high	73 Å²	73	49.7 Å²	49.7	51%	0.51	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-43.1	-178	-54.2	0	0	0	0	111.5	L517 V521 E522 E523	L517-S519 PolarHBondContact O-N 3.36Å; S519-V521 VanDerWaalsContact C-N 3.33Å; S519-V521 PolarHBondContact O-N 3.33Å; S519-E522 PolarHBondContact O-N 3.26Å; S519-E523 WeakPolarHBondContact O-CB 3.39Å; S519-E523 VanDerWaalsContact O-CG 3.29Å; S519-E523 WeakPolarHBondContact O-CG 3.38Å; S519-E523 PolarHBondContact O-N 3.29Å
520	S	98	Very high	96.9	Very high	49 Å²	49	47.2 Å²	47.2	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-35.7	179.1	-53.3	0	0	0	0	112.8	L517 Q518 A524	L517-S520 WeakPolarHBondContact O-CB 3.37Å; L517-S520 PolarHBondContact O-N 2.87Å; L517-S520 VanDerWaalsContact O-N 3.1Å; Q518-S520 VanDerWaalsContact C-N 3.31Å; Q518-S520 PolarHBondContact O-N 2.62Å; S520-A524 VanDerWaalsContact O-CB 3.27Å; S520-A524 WeakPolarHBondContact O-CB 3.43Å; S520-A524 PolarHBondContact O-N 3.18Å
521	V	98	Very high	97	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.6	-43.7	176.5	174.9	0	0	0	0	110.7	I498 L517 Q518 S519 A524 G525 I526 I528 L826	I498-V521 HydrophobicContact CD1-CG2 3.67Å; I498-V521 HydrophobicContact CG1-CG2 3.86Å; L517-V521 HydrophobicContact CB-CG2 4.3Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.49Å; L517-V521 PolarHBondContact O-N 3.12Å; Q518-V521 PolarHBondContact O-N 2.65Å; Q518-V521 VanDerWaalsContact O-N 3.17Å; S519-V521 VanDerWaalsContact C-N 3.33Å; S519-V521 PolarHBondContact O-N 3.33Å; V521-A524 PolarHBondContact O-N 2.94Å; V521-G525 PolarHBondContact O-N 3.11Å; V521-I526 HydrophobicContact CG1-CD1 4.42Å; V521-I526 HydrophobicContact CG1-CG1 3.81Å; V521-I526 PolarHBondContact O-N 2.78Å; V521-I528 HydrophobicContact CG1-CB 4.5Å; V521-I528 HydrophobicContact CG1-CD1 4.1Å; V521-I528 HydrophobicContact CG1-CG1 3.95Å; V521-I528 HydrophobicContact CG2-CD1 3.68Å; V521-I528 HydrophobicContact CG2-CG1 4.42Å; V521-L826 HydrophobicContact CG2-CD2 4.27Å; V521-L826 HydrophobicContact CG2-CG 4.27Å
522	E	96.8	Very high	97.2	Very high	105 Å²	105	45.3 Å²	45.3	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-46.1	176.5	-70.7	175.8	179.8	0	0	111.7	Q518 S519 A524 G525	Q518-E522 PolarHBondContact NE2-OE1 2.87Å; Q518-E522 WeakPolarHBondContact O-CG 3.17Å; Q518-E522 PolarHBondContact O-N 2.87Å; S519-E522 PolarHBondContact O-N 3.26Å; E522-A524 VanDerWaalsContact C-N 3.33Å; E522-A524 PolarHBondContact O-N 3.38Å; E522-G525 PolarHBondContact O-N 2.78Å
523	E	97.6	Very high	97.3	Very high	165 Å²	165	40.5 Å²	40.5	77%	0.771	22%	0.222	S	C	*	.	H	α-helix	trans	-62.7	-37.2	176.9	-74.7	174.9	-167	0	0	112.7	S519 G525	S519-E523 WeakPolarHBondContact O-CB 3.39Å; S519-E523 VanDerWaalsContact O-CG 3.29Å; S519-E523 WeakPolarHBondContact O-CG 3.38Å; S519-E523 PolarHBondContact O-N 3.29Å; E523-G525 PolarHBondContact O-N 2.91Å
524	A	97.9	Very high	97.3	Very high	18 Å²	18	39 Å²	39	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-69.8	-17.4	174.4	0	0	0	0	0	113	I498 S520 V521 E522 I526	I498-A524 HydrophobicContact CG2-CB 4.03Å; S520-A524 VanDerWaalsContact O-CB 3.27Å; S520-A524 WeakPolarHBondContact O-CB 3.43Å; S520-A524 PolarHBondContact O-N 3.18Å; V521-A524 PolarHBondContact O-N 2.94Å; E522-A524 VanDerWaalsContact C-N 3.33Å; E522-A524 PolarHBondContact O-N 3.38Å; A524-I526 VanDerWaalsContact C-N 3.32Å; A524-I526 HydrophobicContact CB-CG1 4.27Å; A524-I526 HydrophobicContact CB-CG2 4.31Å
525	G	97.6	Very high	97.1	Very high	36 Å²	36	41.1 Å²	41.1	37%	0.371	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	24.9	-179.4	0	0	0	0	0	113.7	V521 E522 E523 K824	V521-G525 PolarHBondContact O-N 3.11Å; E522-G525 PolarHBondContact O-N 2.78Å; E523-G525 PolarHBondContact O-N 2.91Å; G525-K824 VanDerWaalsContact O-CD 3.25Å; G525-K824 WeakPolarHBondContact O-CD 3.17Å; G525-K824 WeakPolarHBondContact O-CE 3.07Å; G525-K824 PolarHBondContact O-NZ 3.24Å
526	I	98.3	Very high	96.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.199	C	C	.	.			trans	-101	163.5	-179.3	67	171.7	0	0	0	111.7	C497 I498 K501 V502 V521 A524 I528 G825	C497-I526 HydrophobicContact CB-CD1 4.29Å; I498-I526 HydrophobicContact CG1-CD1 3.91Å; K501-I526 HydrophobicContact CB-CG2 4.13Å; V502-I526 WeakPolarHBondContact O-CD1 3.49Å; V521-I526 HydrophobicContact CG1-CD1 4.42Å; V521-I526 HydrophobicContact CG1-CG1 3.81Å; V521-I526 PolarHBondContact O-N 2.78Å; A524-I526 VanDerWaalsContact C-N 3.32Å; A524-I526 HydrophobicContact CB-CG1 4.27Å; A524-I526 HydrophobicContact CB-CG2 4.31Å; I526-I528 HydrophobicContact CD1-CD1 3.98Å; I526-I528 HydrophobicContact CD1-CG1 4.01Å; I526-I528 HydrophobicContact CG1-CG1 4.34Å; I526-G825 PolarHBondContact O-N 3.13Å
527	T	98.4	Very high	96.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.3	175.2	-57.3	0	0	0	0	108.4	N503 M504 V529 V816 I821 R823 K824 L827	N503-T527 WeakPolarHBondContact CA-O 3.22Å; N503-T527 WeakPolarHBondContact CB-O 3.35Å; N503-T527 PolarHBondContact OD1-N 2.97Å; M504-T527 PolarHBondContact N-O 3.14Å; T527-V529 HydrophobicContact CG2-CG2 3.87Å; T527-V816 HydrophobicContact CG2-CG2 4.25Å; T527-I821 HydrophobicContact CG2-CG2 3.92Å; T527-R823 WeakPolarHBondContact CG2-O 3.35Å; T527-R823 PolarHBondContact OG1-O 3.16Å; T527-K824 VanDerWaalsContact OG1-CD 3.32Å; T527-K824 WeakPolarHBondContact OG1-CD 3.46Å; T527-K824 PolarHBondContact OG1-NZ 3.25Å; T527-L827 HydrophobicContact CG2-CD1 3.74Å; T527-L827 HydrophobicContact CG2-CG 4.34Å
528	I	98.5	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.1	171.4	-57.4	-169.8	0	0	0	108	A494 M504 M514 V521 I526 N530 G825 L826 L827	A494-I528 HydrophobicContact CB-CD1 4.2Å; M504-I528 HydrophobicContact CB-CB 4.4Å; M504-I528 HydrophobicContact CB-CD1 4.29Å; M504-I528 HydrophobicContact CB-CG1 3.97Å; M504-I528 HydrophobicContact CB-CG2 4.05Å; M504-I528 HydrophobicContact CG-CG2 4.28Å; M504-I528 CarbonylContact O-C 3.59Å; M504-I528 VanDerWaalsContact O-CA 3.23Å; M504-I528 WeakPolarHBondContact O-CA 3.34Å; M504-I528 HydrophobicContact SD-CD1 4.41Å; M504-I528 HydrophobicContact SD-CG2 4.24Å; M514-I528 HydrophobicContact CE-CG2 4.12Å; V521-I528 HydrophobicContact CG1-CB 4.5Å; V521-I528 HydrophobicContact CG1-CD1 4.1Å; V521-I528 HydrophobicContact CG1-CG1 3.95Å; V521-I528 HydrophobicContact CG2-CD1 3.68Å; V521-I528 HydrophobicContact CG2-CG1 4.42Å; I526-I528 HydrophobicContact CD1-CD1 3.98Å; I526-I528 HydrophobicContact CD1-CG1 4.01Å; I526-I528 HydrophobicContact CG1-CG1 4.34Å; I528-N530 WeakPolarHBondContact CG2-OD1 3.25Å; I528-N530 PolarHBondContact O-OD1 3.23Å; I528-G825 PolarHBondContact N-O 2.7Å; I528-L826 HydrophobicContact CB-CD2 3.8Å; I528-L826 HydrophobicContact CD1-CD2 4.21Å; I528-L826 HydrophobicContact CG1-CD2 4.49Å; I528-L826 HydrophobicContact CG2-CD2 3.77Å; I528-L826 WeakPolarHBondContact O-CA 3.47Å; I528-L827 PolarHBondContact O-N 3.47Å
529	V	98.3	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.9	179	-163.9	0	0	0	0	109.3	M504 V505 T506 T527 M532 A812 V816 I821	M504-V529 PolarHBondContact O-N 3.3Å; V505-V529 CarbonylContact C-O 3.57Å; V505-V529 WeakPolarHBondContact CA-O 3.41Å; V505-V529 HydrophobicContact CG2-CB 4.26Å; V505-V529 HydrophobicContact CG2-CG2 4.46Å; T506-V529 PolarHBondContact N-O 3.39Å; T527-V529 HydrophobicContact CG2-CG2 3.87Å; V529-M532 HydrophobicContact CB-CG 4.36Å; V529-M532 HydrophobicContact CG1-CG 3.54Å; V529-M532 HydrophobicContact CG1-SD 3.95Å; V529-A812 HydrophobicContact CG1-CB 4.38Å; V529-V816 HydrophobicContact CG2-CG2 3.79Å; V529-I821 HydrophobicContact CG2-CD1 4.2Å
530	N	98	Very high	96.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.			trans	-95.4	172.3	177.6	-61.5	72.9	0	0	0	110.5	T506 L510 I528 M532 L827 V828 P829	T506-N530 HydrophobicContact CG2-CB 4.19Å; T506-N530 CarbonylContact O-C 3.58Å; L510-N530 HydrophobicContact CB-CB 4.2Å; L510-N530 HydrophobicContact CD1-CB 4.5Å; I528-N530 WeakPolarHBondContact CG2-OD1 3.25Å; I528-N530 PolarHBondContact O-OD1 3.23Å; N530-M532 PolarHBondContact O-N 3.48Å; N530-M532 VanDerWaalsContact O-N 3.13Å; N530-L827 PolarHBondContact N-O 3.19Å; N530-V828 HydrophobicContact CB-CG1 4.32Å; N530-P829 WeakPolarHBondContact O-CD 3.47Å
531	E	96.9	Very high	96.7	Very high	12 Å²	12	19.2 Å²	19.2	6%	0.056	11%	0.105	C	C	.	.			trans	58.7	29.9	169.3	-62.1	-174.3	-176.9	0	0	113.5	T506 S508 Y509 L510 G533 P536 G537 H540 V828 P829	T506-E531 PolarHBondContact O-N 2.91Å; S508-E531 WeakPolarHBondContact O-CG 3.21Å; S508-E531 PolarHBondContact O-N 3.27Å; Y509-E531 WeakPolarHBondContact CA-OE1 3.27Å; L510-E531 PolarHBondContact N-OE1 3.1Å; E531-G533 PolarHBondContact O-N 3.12Å; E531-P536 CarbonylContact C-O 3.56Å; E531-P536 HydrophobicContact CB-CB 3.89Å; E531-P536 HydrophobicContact CB-CG 3.97Å; E531-P536 HydrophobicContact CG-CB 3.87Å; E531-P536 HydrophobicContact CG-CG 3.69Å; E531-P536 CarbonylContact O-C 3.34Å; E531-G537 WeakPolarHBondContact O-CA 3.47Å; E531-G537 PolarHBondContact O-N 2.97Å; E531-H540 IonicContact OE2-CD2 2.77Å; E531-H540 IonicContact OE2-NE2 3.74Å; E531-H540 PolarHBondContact OE2-NE2 2.78Å; E531-H540 VanDerWaalsContact OE2-NE2 3.12Å; E531-V828 HydrophobicContact CB-CG1 4.26Å; E531-V828 HydrophobicContact CG-CG1 4.12Å; E531-P829 WeakPolarHBondContact O-CG 3.34Å
532	M	97.4	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.			trans	-94.4	61.4	176.6	-68.4	-61	-49.2	0	0	111.7	V505 T506 A507 V529 N530 M541 P808 A809 A812 P829 I834 A838	V505-M532 HydrophobicContact CG1-CB 4.34Å; V505-M532 HydrophobicContact CG1-CG 4.48Å; T506-M532 PolarHBondContact O-N 2.98Å; T506-M532 VanDerWaalsContact O-N 3.12Å; A507-M532 WeakPolarHBondContact CB-O 3.22Å; V529-M532 HydrophobicContact CB-CG 4.36Å; V529-M532 HydrophobicContact CG1-CG 3.54Å; V529-M532 HydrophobicContact CG1-SD 3.95Å; N530-M532 PolarHBondContact O-N 3.48Å; N530-M532 VanDerWaalsContact O-N 3.13Å; M532-M541 HydrophobicContact CE-CE 4.08Å; M532-P808 HydrophobicContact CE-CB 4.04Å; M532-P808 WeakPolarHBondContact CE-O 3.39Å; M532-A809 PolarHBondContact O-N 2.9Å; M532-A812 HydrophobicContact CB-CB 4.25Å; M532-A812 HydrophobicContact CE-CB 3.74Å; M532-A812 HydrophobicContact CG-CB 3.6Å; M532-A812 HydrophobicContact SD-CB 3.99Å; M532-P829 HydrophobicContact SD-CB 3.6Å; M532-P829 HydrophobicContact SD-CG 3.82Å; M532-I834 HydrophobicContact SD-CG2 4.35Å; M532-A838 HydrophobicContact CE-CB 4.37Å
533	G	96.3	Very high	96.5	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-132.9	-143.4	177	0	0	0	0	0	112.9	E531 P536 G537 I538 T804	E531-G533 PolarHBondContact O-N 3.12Å; G533-P536 CarbonylContact C-O 3.49Å; G533-P536 VanDerWaalsContact CA-O 3.31Å; G533-P536 WeakPolarHBondContact CA-O 3.31Å; G533-P536 PolarHBondContact N-O 2.72Å; G533-G537 CarbonylContact O-C 3.55Å; G533-G537 VanDerWaalsContact O-CA 3.29Å; G533-G537 WeakPolarHBondContact O-CA 3.16Å; G533-I538 PolarHBondContact O-N 3.21Å; G533-T804 CarbonylContact C-O 3.59Å
534	L	95.2	Very high	96.5	Very high	10 Å²	10	7 Å²	7	5%	0.052	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-88.2	-58.7	175.7	171.1	63.7	0	0	0	111.7	I538 D539 I767 M769 M801 T804 V805	L534-I538 HydrophobicContact CD1-CB 4.5Å; L534-I538 HydrophobicContact CD1-CD1 4.33Å; L534-I538 PolarHBondContact O-N 3.24Å; L534-D539 PolarHBondContact O-N 2.75Å; L534-D539 VanDerWaalsContact O-N 3.17Å; L534-I767 HydrophobicContact CD1-CG2 3.76Å; L534-I767 HydrophobicContact CD2-CD1 3.53Å; L534-I767 HydrophobicContact CD2-CG1 3.98Å; L534-I767 HydrophobicContact CD2-CG2 3.72Å; L534-I767 HydrophobicContact CG-CG2 4.4Å; L534-M769 HydrophobicContact CD1-CE 3.53Å; L534-M769 HydrophobicContact CG-CE 4.22Å; L534-M769 WeakPolarHBondContact O-CE 3.49Å; L534-M801 HydrophobicContact CD2-CE 4.17Å; L534-M801 HydrophobicContact CD2-SD 4.19Å; L534-T804 HydrophobicContact CD1-CG2 4.39Å; L534-T804 PolarHBondContact N-O 3.38Å; L534-V805 HydrophobicContact CB-CG2 4.02Å
535	D	91.6	Very high	96.4	Very high	46 Å²	46	9.5 Å²	9.5	25%	0.246	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.3	87.6	-179.5	177.7	-10.8	0	0	0	106.7	Y509 C564 R653	Y509-D535 PolarHBondContact OH-OD1 2.51Å; D535-C564 HydrophobicContact CB-CB 4.29Å; D535-C564 WeakPolarHBondContact OD2-CB 3.5Å; D535-R653 IonicContact OD1-CZ 3.83Å; D535-R653 IonicContact OD1-NH2 3.93Å; D535-R653 PolarHBondContact OD1-NH2 3.39Å; D535-R653 IonicContact OD2-NH2 3.84Å
536	P	92.8	Very high	96.4	Very high	7 Å²	7	8 Å²	8	5%	0.045	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.5	144.4	17.1	36.8	-32.3	0	0	0	113.8	Y509 E531 G533 D539 H540	Y509-P536 HydrophobicContact CD1-CB 4.04Å; Y509-P536 HydrophobicContact CD1-CG 3.72Å; Y509-P536 HydrophobicContact CD2-CG 3.76Å; Y509-P536 HydrophobicContact CE1-CB 3.71Å; Y509-P536 HydrophobicContact CE1-CG 3.78Å; Y509-P536 HydrophobicContact CE2-CB 4.4Å; Y509-P536 VanDerWaalsContact CE2-CD 3.43Å; Y509-P536 HydrophobicContact CE2-CG 3.81Å; Y509-P536 HydrophobicContact CG-CG 3.72Å; E531-P536 CarbonylContact C-O 3.56Å; E531-P536 HydrophobicContact CB-CB 3.89Å; E531-P536 HydrophobicContact CB-CG 3.97Å; E531-P536 HydrophobicContact CG-CB 3.87Å; E531-P536 HydrophobicContact CG-CG 3.69Å; E531-P536 CarbonylContact O-C 3.34Å; G533-P536 CarbonylContact C-O 3.49Å; G533-P536 VanDerWaalsContact CA-O 3.31Å; G533-P536 WeakPolarHBondContact CA-O 3.31Å; G533-P536 PolarHBondContact N-O 2.72Å; P536-D539 VanDerWaalsContact CA-OD1 3.31Å; P536-D539 WeakPolarHBondContact CA-OD1 3.22Å; P536-H540 WeakPolarHBondContact CB-NE2 3.48Å
537	G	96.1	Very high	96.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	150.2	-91.7	173.6	0	0	0	0	0	113	E531 G533 D539 H540 M541	E531-G537 WeakPolarHBondContact O-CA 3.47Å; E531-G537 PolarHBondContact O-N 2.97Å; G533-G537 CarbonylContact O-C 3.55Å; G533-G537 VanDerWaalsContact O-CA 3.29Å; G533-G537 WeakPolarHBondContact O-CA 3.16Å; G537-D539 PolarHBondContact N-OD1 3.22Å; G537-D539 PolarHBondContact O-N 3.01Å; G537-H540 WeakPolarHBondContact O-CB 3.39Å; G537-H540 PolarHBondContact O-N 3.31Å; G537-M541 WeakPolarHBondContact O-CG 3.39Å; G537-M541 PolarHBondContact O-N 3.07Å
538	I	97.8	Very high	96.1	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-54.5	-36.7	179.9	-65.3	170.3	0	0	0	111.7	G533 L534 H540 M541 L542 M769 L789 T804 P808 L842 L847	G533-I538 PolarHBondContact O-N 3.21Å; L534-I538 HydrophobicContact CD1-CB 4.5Å; L534-I538 HydrophobicContact CD1-CD1 4.33Å; L534-I538 PolarHBondContact O-N 3.24Å; I538-H540 PolarHBondContact O-N 3.19Å; I538-M541 HydrophobicContact CG1-CE 4.02Å; I538-M541 PolarHBondContact O-N 3.39Å; I538-L542 HydrophobicContact CG2-CD1 3.71Å; I538-L542 HydrophobicContact CG2-CG 4.03Å; I538-L542 WeakPolarHBondContact O-CB 3.19Å; I538-L542 VanDerWaalsContact O-CG 3.28Å; I538-L542 WeakPolarHBondContact O-CG 3.37Å; I538-L542 PolarHBondContact O-N 2.9Å; I538-M769 HydrophobicContact CB-CE 4.43Å; I538-M769 HydrophobicContact CG2-CE 4.42Å; I538-M769 HydrophobicContact CG2-SD 4.27Å; I538-L789 HydrophobicContact CD1-CD2 4.42Å; I538-L789 HydrophobicContact CG2-CD2 3.86Å; I538-T804 HydrophobicContact CD1-CG2 4.35Å; I538-P808 HydrophobicContact CD1-CG 3.94Å; I538-P808 HydrophobicContact CG1-CG 3.99Å; I538-L842 HydrophobicContact CD1-CD1 4.29Å; I538-L842 HydrophobicContact CG1-CD1 3.94Å; I538-L847 HydrophobicContact CD1-CD2 3.79Å
539	D	95.1	Very high	95.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57	-46.5	173.7	68.5	-51.4	0	0	0	112.5	L534 P536 G537 A543 R653 M769	L534-D539 PolarHBondContact O-N 2.75Å; L534-D539 VanDerWaalsContact O-N 3.17Å; P536-D539 VanDerWaalsContact CA-OD1 3.31Å; P536-D539 WeakPolarHBondContact CA-OD1 3.22Å; G537-D539 PolarHBondContact N-OD1 3.22Å; G537-D539 PolarHBondContact O-N 3.01Å; D539-A543 VanDerWaalsContact O-CB 3.24Å; D539-A543 WeakPolarHBondContact O-CB 3.48Å; D539-A543 PolarHBondContact O-N 3.02Å; D539-R653 IonicContact OD2-CZ 3.98Å; D539-R653 IonicContact OD2-NH1 3.12Å; D539-R653 PolarHBondContact OD2-NH1 2.85Å; D539-R653 IonicContact OD2-NH2 3.76Å; D539-R653 PolarHBondContact OD2-NH2 3.37Å; D539-M769 HydrophobicContact CB-CE 3.71Å; D539-M769 HydrophobicContact CB-SD 4.11Å
540	H	94.3	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-47.3	177	-64.8	-44.5	0	0	0	111.3	E531 P536 G537 I538 L542 A543 M544 Y639 Y643 R653 P829 M830	E531-H540 IonicContact OE2-CD2 2.77Å; E531-H540 IonicContact OE2-NE2 3.74Å; E531-H540 PolarHBondContact OE2-NE2 2.78Å; E531-H540 VanDerWaalsContact OE2-NE2 3.12Å; P536-H540 WeakPolarHBondContact CB-NE2 3.48Å; G537-H540 WeakPolarHBondContact O-CB 3.39Å; G537-H540 PolarHBondContact O-N 3.31Å; I538-H540 PolarHBondContact O-N 3.19Å; H540-L542 PolarHBondContact O-N 3.49Å; H540-A543 PolarHBondContact O-N 3.44Å; H540-M544 WeakPolarHBondContact O-CB 3.46Å; H540-M544 WeakPolarHBondContact O-CG 3.4Å; H540-M544 PolarHBondContact O-N 3.38Å; H540-Y639 AromaticContact CE1-CE1 3.55Å; H540-Y643 AromaticContact ND1-CE1 3.69Å; H540-Y643 AromaticContact ND1-CZ 3.64Å; H540-Y643 PolarHBondContact ND1-OH 3.14Å; H540-R653 PolarHBondContact CE1-NH1 3.37Å; H540-P829 HydrophobicContact CB-CG 4.46Å; H540-M830 HydrophobicContact CB-CG 4.23Å; H540-M830 WeakPolarHBondContact ND1-CE 3.47Å
541	M	97.6	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.5	-47.2	-177.1	-65.7	-170.9	-103.7	0	0	111.4	M532 G537 I538 M544 E545 P808 P829 A838 L839 L842	M532-M541 HydrophobicContact CE-CE 4.08Å; G537-M541 WeakPolarHBondContact O-CG 3.39Å; G537-M541 PolarHBondContact O-N 3.07Å; I538-M541 HydrophobicContact CG1-CE 4.02Å; I538-M541 PolarHBondContact O-N 3.39Å; M541-M544 PolarHBondContact O-N 3.44Å; M541-E545 WeakPolarHBondContact O-CB 3.48Å; M541-E545 PolarHBondContact O-N 3.14Å; M541-P808 HydrophobicContact CE-CB 4.24Å; M541-P829 HydrophobicContact CG-CB 3.85Å; M541-P829 HydrophobicContact CG-CG 4.31Å; M541-P829 HydrophobicContact SD-CB 4.31Å; M541-A838 HydrophobicContact SD-CB 3.6Å; M541-A838 VanDerWaalsContact SD-CB 3.6Å; M541-L839 HydrophobicContact CB-CD1 3.95Å; M541-L839 HydrophobicContact CB-CD2 3.75Å; M541-L839 HydrophobicContact CB-CG 3.77Å; M541-L839 HydrophobicContact SD-CD2 4.43Å; M541-L839 HydrophobicContact SD-CG 4.35Å; M541-L842 HydrophobicContact CE-CD1 4.07Å; M541-L842 HydrophobicContact SD-CD1 4.46Å
542	L	96.9	Very high	95.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-68.4	-36.2	178.1	-67.1	179	0	0	0	112.8	I538 H540 C546 M769 I787 L839 I849	I538-L542 HydrophobicContact CG2-CD1 3.71Å; I538-L542 HydrophobicContact CG2-CG 4.03Å; I538-L542 WeakPolarHBondContact O-CB 3.19Å; I538-L542 VanDerWaalsContact O-CG 3.28Å; I538-L542 WeakPolarHBondContact O-CG 3.37Å; I538-L542 PolarHBondContact O-N 2.9Å; H540-L542 PolarHBondContact O-N 3.49Å; L542-C546 WeakPolarHBondContact O-CB 3.35Å; L542-C546 PolarHBondContact O-N 2.83Å; L542-M769 HydrophobicContact CD1-SD 4.02Å; L542-I787 HydrophobicContact CB-CG2 4.42Å; L542-I787 HydrophobicContact CD1-CG2 4.16Å; L542-I787 HydrophobicContact CD2-CG2 4.31Å; L542-L839 HydrophobicContact CD2-CD1 4.29Å; L542-L839 HydrophobicContact CD2-CD2 3.79Å; L542-L839 HydrophobicContact CG-CD2 4.26Å; L542-I849 HydrophobicContact CD1-CG1 4.48Å; L542-I849 HydrophobicContact CD1-CG2 4.44Å; L542-I849 HydrophobicContact CD2-CD1 3.69Å; L542-I849 HydrophobicContact CD2-CG1 4.05Å; L542-I849 HydrophobicContact CD2-CG2 3.78Å
543	A	94.6	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-50.6	175	0	0	0	0	0	110.9	D539 H540 C546 I547 Y560 Y643	D539-A543 VanDerWaalsContact O-CB 3.24Å; D539-A543 WeakPolarHBondContact O-CB 3.48Å; D539-A543 PolarHBondContact O-N 3.02Å; H540-A543 PolarHBondContact O-N 3.44Å; A543-C546 PolarHBondContact O-N 2.82Å; A543-I547 HydrophobicContact CB-CD1 4.43Å; A543-I547 WeakPolarHBondContact O-CB 3.27Å; A543-I547 WeakPolarHBondContact O-CD1 3.49Å; A543-I547 WeakPolarHBondContact O-CG1 3.47Å; A543-I547 PolarHBondContact O-N 2.96Å; A543-Y560 HydrophobicContact CB-CE2 3.54Å; A543-Y560 WeakPolarHBondContact CB-OH 3.47Å; A543-Y643 HydrophobicContact CB-CE2 4.07Å
544	M	96.8	Very high	94.9	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.059	17%	0.171	C	C	.	.	H	α-helix	trans	-69	-39.8	-176.4	-68.6	-54.8	-64.5	0	0	112.6	H540 M541 C546 I547 E548 Y643 M830 Y835	H540-M544 WeakPolarHBondContact O-CB 3.46Å; H540-M544 WeakPolarHBondContact O-CG 3.4Å; H540-M544 PolarHBondContact O-N 3.38Å; M541-M544 PolarHBondContact O-N 3.44Å; M544-C546 VanDerWaalsContact C-N 3.26Å; M544-C546 PolarHBondContact O-N 3.01Å; M544-I547 PolarHBondContact O-N 2.97Å; M544-E548 HydrophobicContact CE-CG 4.23Å; M544-E548 WeakPolarHBondContact O-CB 3.44Å; M544-E548 WeakPolarHBondContact O-CG 3.01Å; M544-E548 PolarHBondContact O-N 3.23Å; M544-Y643 HydrophobicContact CG-CD1 4.21Å; M544-Y643 HydrophobicContact CG-CE1 4.44Å; M544-Y643 HydrophobicContact SD-CD1 3.44Å; M544-Y643 WeakPolarHBondContact SD-CD1 3.35Å; M544-Y643 HydrophobicContact SD-CE1 4.22Å; M544-Y643 HydrophobicContact SD-CG 3.87Å; M544-M830 WeakPolarHBondContact CE-O 3.36Å; M544-M830 HydrophobicContact CG-CB 4.1Å; M544-M830 HydrophobicContact CG-CG 4.43Å; M544-Y835 HydrophobicContact CB-CD1 3.95Å; M544-Y835 HydrophobicContact CB-CE1 3.74Å
545	E	96.6	Very high	95	Very high	70 Å²	70	29.7 Å²	29.7	33%	0.327	17%	0.171	S	C	.	.	H	α-helix	trans	-54.4	-44.4	173.1	-174.1	-176.1	-124.8	0	0	111.1	M541 Q549 Y835 L839 K843	M541-E545 WeakPolarHBondContact O-CB 3.48Å; M541-E545 PolarHBondContact O-N 3.14Å; E545-Q549 VanDerWaalsContact O-CB 3.29Å; E545-Q549 WeakPolarHBondContact O-CB 3.39Å; E545-Q549 PolarHBondContact O-N 3.33Å; E545-Y835 HydrophobicContact CB-CD2 4.35Å; E545-Y835 HydrophobicContact CB-CE2 3.98Å; E545-Y835 HydrophobicContact CG-CE2 4.49Å; E545-L839 HydrophobicContact CB-CD1 4.06Å; E545-L839 HydrophobicContact CG-CD1 4.4Å; E545-K843 IonicContact OE1-NZ 2.92Å
546	C	96.2	Very high	95.2	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.034	18%	0.179	C	C	.	.	H	α-helix	trans	-69.8	-47.2	178.6	-175	0	0	0	0	113.1	L542 A543 M544 Q549 A550 V773 R785 I787	L542-C546 WeakPolarHBondContact O-CB 3.35Å; L542-C546 PolarHBondContact O-N 2.83Å; A543-C546 PolarHBondContact O-N 2.82Å; M544-C546 VanDerWaalsContact C-N 3.26Å; M544-C546 PolarHBondContact O-N 3.01Å; C546-Q549 PolarHBondContact O-N 2.89Å; C546-A550 WeakPolarHBondContact O-CB 3.47Å; C546-A550 PolarHBondContact O-N 3.38Å; C546-V773 HydrophobicContact CB-CG2 4.49Å; C546-R785 VanDerWaalsContact SG-CD 3.58Å; C546-I787 HydrophobicContact CB-CD1 3.58Å
547	I	95.9	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-43.3	-176.1	-69.8	167.1	0	0	0	110.9	A543 M544 A550 K551 V557 Y560 Y643 I645	A543-I547 HydrophobicContact CB-CD1 4.43Å; A543-I547 WeakPolarHBondContact O-CB 3.27Å; A543-I547 WeakPolarHBondContact O-CD1 3.49Å; A543-I547 WeakPolarHBondContact O-CG1 3.47Å; A543-I547 PolarHBondContact O-N 2.96Å; M544-I547 PolarHBondContact O-N 2.97Å; I547-A550 PolarHBondContact O-N 3.14Å; I547-K551 HydrophobicContact CG2-CD 4.1Å; I547-K551 WeakPolarHBondContact O-CG 3.48Å; I547-K551 PolarHBondContact O-N 3.28Å; I547-V557 HydrophobicContact CG1-CG2 4.28Å; I547-V557 HydrophobicContact CG2-CG2 4.33Å; I547-Y560 HydrophobicContact CD1-CD2 4.48Å; I547-Y643 HydrophobicContact CD1-CD2 4.07Å; I547-Y643 HydrophobicContact CD1-CG 4.18Å; I547-I645 HydrophobicContact CD1-CD1 4.16Å; I547-I645 HydrophobicContact CD1-CG2 4.02Å; I547-I645 HydrophobicContact CG1-CG2 4.29Å; I547-I645 HydrophobicContact CG2-CG2 3.69Å
548	E	95.5	Very high	95.4	Very high	70 Å²	70	32.8 Å²	32.8	33%	0.327	19%	0.188	S	C	.	.	H	α-helix	trans	-66.3	-40.9	177	-72.2	-163	-174.2	0	0	111.5	M544 A550 K551 A552 Y835	M544-E548 HydrophobicContact CE-CG 4.23Å; M544-E548 WeakPolarHBondContact O-CB 3.44Å; M544-E548 WeakPolarHBondContact O-CG 3.01Å; M544-E548 PolarHBondContact O-N 3.23Å; E548-A550 PolarHBondContact O-N 2.79Å; E548-K551 PolarHBondContact O-N 2.74Å; E548-A552 WeakPolarHBondContact O-CB 3.48Å; E548-A552 PolarHBondContact O-N 3.25Å; E548-Y835 PolarHBondContact OE2-OH 3.38Å
549	Q	94	Very high	95.4	Very high	95 Å²	95	33.7 Å²	33.7	44%	0.444	19%	0.194	S	C	.	.	H	α-helix	trans	-60.8	-45.8	174.2	-175.6	59.6	55.1	0	0	111.4	E545 C546 K551 A552 D553	E545-Q549 VanDerWaalsContact O-CB 3.29Å; E545-Q549 WeakPolarHBondContact O-CB 3.39Å; E545-Q549 PolarHBondContact O-N 3.33Å; C546-Q549 PolarHBondContact O-N 2.89Å; Q549-K551 VanDerWaalsContact C-N 3.33Å; Q549-K551 PolarHBondContact O-N 3.02Å; Q549-A552 PolarHBondContact O-N 2.8Å; Q549-D553 VanDerWaalsContact NE2-CG 3.32Å; Q549-D553 PolarHBondContact NE2-OD1 3.28Å; Q549-D553 PolarHBondContact NE2-OD2 3.01Å; Q549-D553 VanDerWaalsContact O-CG 3.28Å; Q549-D553 PolarHBondContact O-N 2.68Å
550	A	94.3	Very high	95.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-43.6	176.7	0	0	0	0	0	112.1	C546 I547 E548 D553 G554 C555 V557 I775	C546-A550 WeakPolarHBondContact O-CB 3.47Å; C546-A550 PolarHBondContact O-N 3.38Å; I547-A550 PolarHBondContact O-N 3.14Å; E548-A550 PolarHBondContact O-N 2.79Å; A550-D553 PolarHBondContact O-N 3.4Å; A550-G554 PolarHBondContact O-N 3.24Å; A550-C555 HydrophobicContact CB-CB 4.36Å; A550-C555 WeakPolarHBondContact O-CA 3.29Å; A550-C555 VanDerWaalsContact O-CB 3.27Å; A550-C555 WeakPolarHBondContact O-CB 3.29Å; A550-C555 PolarHBondContact O-N 3.42Å; A550-V557 HydrophobicContact CB-CG2 4.37Å; A550-I775 HydrophobicContact CB-CD1 3.97Å; A550-I775 HydrophobicContact CB-CG1 4.17Å; A550-I775 HydrophobicContact CB-CG2 3.94Å
551	K	93.7	Very high	95.5	Very high	93 Å²	93	35 Å²	35	40%	0.404	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-40.2	176.3	-73	170.1	178.7	173.1	0	112.2	I547 E548 Q549 D553 G554 Y643 G644	I547-K551 HydrophobicContact CG2-CD 4.1Å; I547-K551 WeakPolarHBondContact O-CG 3.48Å; I547-K551 PolarHBondContact O-N 3.28Å; E548-K551 PolarHBondContact O-N 2.74Å; Q549-K551 VanDerWaalsContact C-N 3.33Å; Q549-K551 PolarHBondContact O-N 3.02Å; K551-D553 VanDerWaalsContact C-N 3.26Å; K551-D553 PolarHBondContact O-N 2.93Å; K551-G554 PolarHBondContact O-N 3.19Å; K551-Y643 PolarHBondContact NZ-O 2.84Å; K551-G644 WeakPolarHBondContact CE-O 3.43Å; K551-G644 PolarHBondContact NZ-O 2.79Å
552	A	93.3	Very high	95.4	Very high	80 Å²	80	35.1 Å²	35.1	66%	0.661	20%	0.204	S	C	*	.	H	α-helix	trans	-63.1	-33.9	177.1	0	0	0	0	0	112.1	E548 Q549 G554	E548-A552 WeakPolarHBondContact O-CB 3.48Å; E548-A552 PolarHBondContact O-N 3.25Å; Q549-A552 PolarHBondContact O-N 2.8Å; A552-G554 PolarHBondContact O-N 3.31Å
553	D	92.9	Very high	95.4	Very high	85 Å²	85	35.6 Å²	35.6	46%	0.455	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	2.3	175.3	-61.7	-30.1	0	0	0	113.1	Q549 A550 K551 C555	Q549-D553 VanDerWaalsContact NE2-CG 3.32Å; Q549-D553 PolarHBondContact NE2-OD1 3.28Å; Q549-D553 PolarHBondContact NE2-OD2 3.01Å; Q549-D553 VanDerWaalsContact O-CG 3.28Å; Q549-D553 PolarHBondContact O-N 2.68Å; A550-D553 PolarHBondContact O-N 3.4Å; K551-D553 VanDerWaalsContact C-N 3.26Å; K551-D553 PolarHBondContact O-N 2.93Å; D553-C555 VanDerWaalsContact C-N 3.3Å
554	G	92.8	Very high	95.6	Very high	49 Å²	49	35.9 Å²	35.9	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	9.5	-179.2	0	0	0	0	0	114.4	A550 K551 A552 P778	A550-G554 PolarHBondContact O-N 3.24Å; K551-G554 PolarHBondContact O-N 3.19Å; A552-G554 PolarHBondContact O-N 3.31Å; G554-P778 WeakPolarHBondContact O-CG 3.28Å
555	C	95.8	Very high	95.5	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.054	21%	0.207	C	C	.	.			trans	-82.9	160.1	179.9	-53.9	0	0	0	0	112.2	A550 D553 I775 R776 H777	A550-C555 HydrophobicContact CB-CB 4.36Å; A550-C555 WeakPolarHBondContact O-CA 3.29Å; A550-C555 VanDerWaalsContact O-CB 3.27Å; A550-C555 WeakPolarHBondContact O-CB 3.29Å; A550-C555 PolarHBondContact O-N 3.42Å; D553-C555 VanDerWaalsContact C-N 3.3Å; C555-I775 HydrophobicContact CB-CG2 3.31Å; C555-R776 CarbonylContact C-O 3.53Å; C555-R776 VanDerWaalsContact CA-O 3.27Å; C555-R776 WeakPolarHBondContact CA-O 3.3Å; C555-R776 VanDerWaalsContact CB-O 3.28Å; C555-R776 WeakPolarHBondContact CB-O 3.35Å; C555-H777 PolarHBondContact SG-ND1 3.02Å; C555-H777 VanDerWaalsContact SG-ND1 3.42Å
556	T	95.7	Very high	95.4	Very high	68 Å²	68	32.7 Å²	32.7	42%	0.417	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.1	175.2	-58.8	0	0	0	0	110.2	T647 R776	T556-T647 WeakPolarHBondContact CG2-OG1 3.47Å; T556-R776 PolarHBondContact N-O 3.28Å; T556-R776 PolarHBondContact O-N 2.85Å
557	V	97	Very high	95.4	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	116.8	175.5	-179.5	0	0	0	0	109.2	I547 A550 I645 T647 V773 G774	I547-V557 HydrophobicContact CG1-CG2 4.28Å; I547-V557 HydrophobicContact CG2-CG2 4.33Å; A550-V557 HydrophobicContact CB-CG2 4.37Å; V557-I645 HydrophobicContact CB-CB 4.34Å; V557-I645 HydrophobicContact CB-CG2 3.78Å; V557-I645 HydrophobicContact CG1-CB 4.36Å; V557-I645 HydrophobicContact CG1-CG2 3.99Å; V557-I645 HydrophobicContact CG2-CG2 4.06Å; V557-T647 PolarHBondContact O-OG1 3.13Å; V557-V773 HydrophobicContact CG1-CG1 3.81Å; V557-V773 HydrophobicContact CG2-CG1 4.38Å; V557-G774 CarbonylContact C-O 3.59Å; V557-G774 WeakPolarHBondContact CA-O 3.5Å
558	E	96.3	Very high	95.5	Very high	45 Å²	45	32.6 Å²	32.6	21%	0.21	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-28.6	-179.6	-73	-171.4	175.3	0	0	112.5	A648 H649 G774 R776	E558-A648 CarbonylContact O-C 3.56Å; E558-A648 WeakPolarHBondContact O-CA 3.49Å; E558-A648 WeakPolarHBondContact O-CB 3.47Å; E558-H649 PolarHBondContact O-CD2 2.75Å; E558-H649 PolarHBondContact O-N 3.09Å; E558-H649 PolarHBondContact O-NE2 3.46Å; E558-G774 PolarHBondContact N-O 3.41Å; E558-R776 HydrophobicContact CG-CB 3.95Å; E558-R776 WeakPolarHBondContact OE1-CB 3.45Å; E558-R776 WeakPolarHBondContact OE1-CG 3.31Å; E558-R776 IonicContact OE1-CZ 3.63Å; E558-R776 IonicContact OE1-NE 2.84Å; E558-R776 PolarHBondContact OE1-NE 3.49Å; E558-R776 IonicContact OE1-NH2 3.54Å; E558-R776 IonicContact OE2-CZ 3.47Å; E558-R776 IonicContact OE2-NE 3.34Å; E558-R776 PolarHBondContact OE2-NE 3.48Å; E558-R776 IonicContact OE2-NH2 2.76Å; E558-R776 PolarHBondContact OE2-NH2 3.43Å
559	S	97.3	Very high	95.5	Very high	19 Å²	19	29.2 Å²	29.2	13%	0.133	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.1	176.2	60.2	0	0	0	0	113.2	T650 V773 G774	S559-T650 CarbonylContact C-O 3.53Å; S559-T650 WeakPolarHBondContact CA-O 3.39Å; S559-V773 CarbonylContact O-C 3.46Å; S559-V773 WeakPolarHBondContact O-CA 3.37Å; S559-G774 PolarHBondContact N-O 2.97Å; S559-G774 PolarHBondContact O-N 3.26Å; S559-G774 WeakPolarHBondContact OG-CA 3.32Å; S559-G774 PolarHBondContact OG-N 2.98Å
560	Y	97.1	Very high	95.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	123.1	172.2	176.7	-89.3	0	0	0	110.3	A543 I547 S562 Y643 I645 T650 L651 I652 R653 D772 V773	A543-Y560 HydrophobicContact CB-CE2 3.54Å; A543-Y560 WeakPolarHBondContact CB-OH 3.47Å; I547-Y560 HydrophobicContact CD1-CD2 4.48Å; Y560-S562 WeakPolarHBondContact OH-CB 3.15Å; Y560-S562 PolarHBondContact OH-OG 3.4Å; Y560-Y643 AromaticContact CE1-CE2 3.98Å; Y560-Y643 HydrophobicContact CE1-CE2 3.98Å; Y560-Y643 HydrophobicContact CE2-CE2 4.46Å; Y560-Y643 AromaticContact CZ-CE2 3.93Å; Y560-I645 HydrophobicContact CG-CD1 4.39Å; Y560-T650 PolarHBondContact N-O 3.23Å; Y560-L651 HydrophobicContact CD1-CD1 3.65Å; Y560-L651 HydrophobicContact CG-CD1 4.11Å; Y560-L651 WeakPolarHBondContact O-CA 3.38Å; Y560-I652 PolarHBondContact O-N 3.33Å; Y560-R653 HydrophobicContact CE1-CG 4.2Å; Y560-D772 WeakPolarHBondContact CA-O 3.42Å; Y560-V773 HydrophobicContact CD2-CG2 3.98Å; Y560-V773 HydrophobicContact CE2-CG2 4.39Å
561	S	95.8	Very high	95.7	Very high	28 Å²	28	32.1 Å²	32.1	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.1	173.7	178	0	0	0	0	109.2	F563 I652 N771 D772	S561-F563 WeakPolarHBondContact OG-CE2 3.26Å; S561-I652 CarbonylContact C-O 3.58Å; S561-I652 WeakPolarHBondContact CA-O 3.09Å; S561-I652 WeakPolarHBondContact OG-CG2 3.35Å; S561-N771 CarbonylContact O-C 3.5Å; S561-N771 VanDerWaalsContact O-CA 3.3Å; S561-N771 WeakPolarHBondContact O-CA 3.43Å; S561-D772 PolarHBondContact N-O 2.85Å; S561-D772 PolarHBondContact O-N 3.48Å
562	S	96	Very high	95.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.7	179.6	175.3	0	0	0	0	111.3	Y560 I652 R653 G654 R770 N771	Y560-S562 WeakPolarHBondContact OH-CB 3.15Å; Y560-S562 PolarHBondContact OH-OG 3.4Å; S562-I652 PolarHBondContact N-O 3.22Å; S562-R653 CarbonylContact O-C 3.6Å; S562-R653 WeakPolarHBondContact O-CA 3.44Å; S562-G654 PolarHBondContact O-N 2.95Å; S562-R770 CarbonylContact C-O 3.51Å; S562-R770 WeakPolarHBondContact CA-O 3.36Å; S562-N771 WeakPolarHBondContact CB-OD1 3.38Å; S562-N771 PolarHBondContact OG-OD1 2.93Å
563	F	97.1	Very high	95.9	Very high	12 Å²	12	25.7 Å²	25.7	5%	0.053	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.3	-177.4	-82.6	-91.9	0	0	0	109.9	S561 M620 I652 G654 L656 M769 R770	S561-F563 WeakPolarHBondContact OG-CE2 3.26Å; F563-M620 HydrophobicContact CD1-CE 3.94Å; F563-M620 HydrophobicContact CD2-CE 4.45Å; F563-M620 HydrophobicContact CE1-CE 3.46Å; F563-M620 VanDerWaalsContact CE1-CE 3.46Å; F563-M620 HydrophobicContact CE2-CE 4.02Å; F563-M620 HydrophobicContact CG-CE 4.42Å; F563-M620 HydrophobicContact CZ-CE 3.5Å; F563-I652 HydrophobicContact CE2-CD1 4.42Å; F563-I652 HydrophobicContact CE2-CG1 4.47Å; F563-I652 HydrophobicContact CE2-CG2 4.28Å; F563-I652 HydrophobicContact CZ-CD1 4.02Å; F563-I652 HydrophobicContact CZ-CG1 4.31Å; F563-G654 WeakPolarHBondContact CA-O 3.47Å; F563-L656 HydrophobicContact CB-CD1 4.07Å; F563-L656 HydrophobicContact CB-CD2 3.8Å; F563-L656 HydrophobicContact CB-CG 3.78Å; F563-L656 HydrophobicContact CD1-CD2 4.06Å; F563-L656 HydrophobicContact CD1-CG 4.49Å; F563-L656 HydrophobicContact CG-CD2 4.26Å; F563-M769 CarbonylContact O-C 3.48Å; F563-M769 WeakPolarHBondContact O-CA 3.27Å; F563-R770 PolarHBondContact N-O 3.39Å; F563-R770 PolarHBondContact O-N 3.02Å
564	C	96.7	Very high	96	Very high	7 Å²	7	29.3 Å²	29.3	5%	0.047	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.4	-177.4	-169.5	0	0	0	0	111.4	D535 G654 T655 L656 I768 M769	D535-C564 HydrophobicContact CB-CB 4.29Å; D535-C564 WeakPolarHBondContact OD2-CB 3.5Å; C564-G654 PolarHBondContact N-O 3.43Å; C564-G654 VanDerWaalsContact N-O 3.13Å; C564-T655 CarbonylContact O-C 3.51Å; C564-T655 WeakPolarHBondContact O-CA 3.45Å; C564-L656 PolarHBondContact O-N 3Å; C564-I768 CarbonylContact C-O 3.56Å; C564-I768 WeakPolarHBondContact CA-O 3.06Å; C564-M769 HydrophobicContact CB-CB 4.41Å; C564-M769 HydrophobicContact CB-CE 4.17Å; C564-M769 HydrophobicContact CB-CG 4.29Å; C564-M769 VanDerWaalsContact SG-CE 3.53Å
565	G	95.4	Very high	96.2	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	127.6	176.9	0	0	0	0	0	112.8	I767 I768	G565-I767 WeakPolarHBondContact O-CA 3.4Å; G565-I768 PolarHBondContact N-O 3.14Å; G565-I768 PolarHBondContact O-N 2.99Å
566	G	95.5	Very high	96.2	Very high	12 Å²	12	28 Å²	28	12%	0.124	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.2	160.6	0	0	0	0	0	110.3	Y579 L766 I767	G566-Y579 WeakPolarHBondContact O-CE2 3.34Å; G566-Y579 PolarHBondContact O-OH 2.61Å; G566-L766 CarbonylContact C-O 3.55Å; G566-L766 WeakPolarHBondContact CA-O 3.47Å; G566-I767 VanDerWaalsContact CA-CD1 3.45Å
567	L	96.1	Very high	96.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.7	-168.3	-58.3	172.7	0	0	0	109.8	Y579 L628 F658 D765 L766 I768	L567-Y579 HydrophobicContact CD2-CD2 4.01Å; L567-Y579 HydrophobicContact CD2-CE2 3.84Å; L567-L628 HydrophobicContact CD1-CD2 3.89Å; L567-F658 HydrophobicContact CB-CD2 4.49Å; L567-F658 HydrophobicContact CB-CE2 3.95Å; L567-F658 HydrophobicContact CB-CZ 4.42Å; L567-F658 HydrophobicContact CD1-CD2 4.43Å; L567-F658 HydrophobicContact CD1-CE1 4.29Å; L567-F658 HydrophobicContact CD1-CE2 4.17Å; L567-F658 HydrophobicContact CD1-CZ 4.09Å; L567-D765 CarbonylContact O-C 3.57Å; L567-D765 WeakPolarHBondContact O-CA 3.49Å; L567-D765 WeakPolarHBondContact O-CB 3.43Å; L567-L766 PolarHBondContact N-O 2.67Å; L567-L766 PolarHBondContact O-N 3.3Å; L567-I768 HydrophobicContact CD1-CD1 4.29Å
568	P	96.8	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	153.6	158.6	28.1	-32.9	0	0	0	109.9	C572 K580 F658 F759	P568-C572 HydrophobicContact CB-CB 4.1Å; P568-K580 HydrophobicContact CB-CB 4.41Å; P568-K580 HydrophobicContact CB-CG 4.36Å; P568-F658 HydrophobicContact CG-CE2 4.27Å; P568-F658 WeakPolarHBondContact O-CE2 3.45Å; P568-F759 HydrophobicContact CB-CE1 4.05Å; P568-F759 HydrophobicContact CB-CZ 4.19Å
569	A	96.6	Very high	96.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.			trans	-58.8	151.5	164.8	0	0	0	0	0	110	E571 C572 S573 R764 Y792	A569-E571 PolarHBondContact O-N 2.96Å; A569-E571 VanDerWaalsContact O-N 3.14Å; A569-C572 CarbonylContact O-C 3.45Å; A569-C572 WeakPolarHBondContact O-CA 3.48Å; A569-C572 PolarHBondContact O-N 3.39Å; A569-S573 PolarHBondContact O-N 2.86Å; A569-R764 HydrophobicContact CB-CG 3.74Å; A569-R764 WeakPolarHBondContact CB-O 3.44Å; A569-R764 PolarHBondContact N-O 3.41Å; A569-Y792 HydrophobicContact CB-CD1 4.04Å; A569-Y792 HydrophobicContact CB-CE1 3.97Å
570	P	96.3	Very high	96.1	Very high	48 Å²	48	27.2 Å²	27.2	31%	0.312	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-53.1	-40.1	-173.4	-28.7	35.9	0	0	0	113.7	C572 S573 F626 F658	P570-C572 PolarHBondContact O-N 3.47Å; P570-S573 WeakPolarHBondContact O-CB 3.28Å; P570-S573 PolarHBondContact O-N 3.36Å; P570-S573 PolarHBondContact O-OG 3.5Å; P570-F626 HydrophobicContact CG-CD1 3.82Å; P570-F626 HydrophobicContact CG-CE1 3.51Å; P570-F658 HydrophobicContact CG-CZ 4.28Å
571	E	95.3	Very high	95.8	Very high	108 Å²	108	27.6 Å²	27.6	51%	0.505	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-67.1	-17.3	176.8	66.1	-86.2	-158.1	0	0	114.1	A569 R764	A569-E571 PolarHBondContact O-N 2.96Å; A569-E571 VanDerWaalsContact O-N 3.14Å; E571-R764 IonicContact OE1-CZ 2.8Å; E571-R764 IonicContact OE1-NE 2.62Å; E571-R764 PolarHBondContact OE1-NE 2.92Å; E571-R764 IonicContact OE1-NH2 3.87Å; E571-R764 PolarHBondContact OE1-NH2 3.3Å
572	C	96.2	Very high	94.8	Very high	14 Å²	14	27.3 Å²	27.3	10%	0.095	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-105.3	8.8	177.4	-58.7	0	0	0	0	112.5	P568 A569 P570 K580 E763	P568-C572 HydrophobicContact CB-CB 4.1Å; A569-C572 CarbonylContact O-C 3.45Å; A569-C572 WeakPolarHBondContact O-CA 3.48Å; A569-C572 PolarHBondContact O-N 3.39Å; P570-C572 PolarHBondContact O-N 3.47Å; C572-K580 WeakPolarHBondContact O-CE 3.24Å; C572-E763 HydrophobicContact CB-CB 4.37Å; C572-E763 HydrophobicContact CB-CG 4.48Å
573	S	96.1	Very high	93.7	Very high	24 Å²	24	32 Å²	32	17%	0.168	16%	0.163	C	C	.	.			trans	-92.7	7.7	-174.9	72.6	0	0	0	0	114.4	A569 P570 N575 R578	A569-S573 PolarHBondContact O-N 2.86Å; P570-S573 WeakPolarHBondContact O-CB 3.28Å; P570-S573 PolarHBondContact O-N 3.36Å; P570-S573 PolarHBondContact O-OG 3.5Å; S573-N575 VanDerWaalsContact C-N 3.28Å; S573-N575 PolarHBondContact O-N 3.15Å; S573-R578 WeakPolarHBondContact O-CA 3.42Å
574	D	94.9	Very high	93	Very high	161 Å²	161	34.2 Å²	34.2	86%	0.861	18%	0.181	S	C	*	.			trans	-77	74.4	-176	-168.7	26	0	0	0	112.5
575	N	96.4	Very high	92.6	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.064	18%	0.178	C	C	.	.	S	Bend	trans	-152.7	165.4	169.4	67.8	74.6	0	0	0	109.7	S573 L577 R578 Y579 W730 L757	S573-N575 VanDerWaalsContact C-N 3.28Å; S573-N575 PolarHBondContact O-N 3.15Å; N575-L577 VanDerWaalsContact C-N 3.27Å; N575-L577 PolarHBondContact O-N 3.37Å; N575-L577 PolarHBondContact OD1-N 3.48Å; N575-R578 WeakPolarHBondContact O-CG 3.43Å; N575-R578 PolarHBondContact O-N 2.93Å; N575-R578 PolarHBondContact OD1-N 2.95Å; N575-Y579 PolarHBondContact ND2-N 3.12Å; N575-Y579 PolarHBondContact ND2-O 3.09Å; N575-Y579 PolarHBondContact OD1-N 2.89Å; N575-Y579 PolarHBondContact OD1-O 3.31Å; N575-W730 HydrophobicContact CB-CH2 4.06Å; N575-W730 HydrophobicContact CB-CZ2 4.26Å; N575-L757 HydrophobicContact CB-CD2 3.81Å
576	P	95.2	Very high	92.3	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.123	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.4	-174.8	-26.6	34	0	0	0	114.7	R578 F723 T727 W730	P576-R578 VanDerWaalsContact C-N 3.31Å; P576-R578 PolarHBondContact O-NH1 2.75Å; P576-F723 WeakPolarHBondContact O-CZ 3.46Å; P576-T727 HydrophobicContact CB-CG2 3.76Å; P576-W730 VanDerWaalsContact CD-CD2 3.46Å; P576-W730 HydrophobicContact CG-CB 3.68Å; P576-W730 HydrophobicContact CG-CD2 3.55Å; P576-W730 HydrophobicContact CG-CE3 3.72Å; P576-W730 HydrophobicContact CG-CG 3.53Å
577	L	96.6	Very high	91.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14.5	177.8	-59.5	-168.6	0	0	0	112.7	N575 Y579 F661 A664 M665 F668 T727 L753 L757	N575-L577 VanDerWaalsContact C-N 3.27Å; N575-L577 PolarHBondContact O-N 3.37Å; N575-L577 PolarHBondContact OD1-N 3.48Å; L577-Y579 PolarHBondContact O-N 3.09Å; L577-F661 HydrophobicContact CB-CD2 4.42Å; L577-F661 WeakPolarHBondContact O-CD2 3.11Å; L577-A664 HydrophobicContact CD2-CB 3.42Å; L577-A664 VanDerWaalsContact CD2-CB 3.42Å; L577-M665 HydrophobicContact CD1-CE 3.69Å; L577-M665 HydrophobicContact CD2-CE 4.02Å; L577-M665 HydrophobicContact CG-CE 4.46Å; L577-F668 HydrophobicContact CD1-CE2 4.45Å; L577-F668 HydrophobicContact CD2-CE2 4.13Å; L577-F668 HydrophobicContact CD2-CZ 4.16Å; L577-T727 HydrophobicContact CD2-CG2 4.18Å; L577-L753 HydrophobicContact CD1-CD1 4.36Å; L577-L757 HydrophobicContact CB-CD1 4.41Å; L577-L757 HydrophobicContact CD1-CD1 3.54Å; L577-L757 HydrophobicContact CG-CD1 4.04Å
578	R	96.8	Very high	91.6	Very high	86 Å²	86	39.2 Å²	39.2	33%	0.325	21%	0.206	S	C	.	.	S	Bend	trans	49.1	38	-167.3	-60.3	159.3	-179	94.5	-3.7	111.1	S573 N575 P576 F658 K659	S573-R578 WeakPolarHBondContact O-CA 3.42Å; N575-R578 WeakPolarHBondContact O-CG 3.43Å; N575-R578 PolarHBondContact O-N 2.93Å; N575-R578 PolarHBondContact OD1-N 2.95Å; P576-R578 VanDerWaalsContact C-N 3.31Å; P576-R578 PolarHBondContact O-NH1 2.75Å; R578-F658 HydrophobicContact CB-CB 3.68Å; R578-F658 HydrophobicContact CB-CD2 4.26Å; R578-F658 HydrophobicContact CB-CG 4.42Å; R578-F658 HydrophobicContact CG-CB 4.5Å; R578-F658 WeakPolarHBondContact O-CD2 3.32Å; R578-K659 WeakPolarHBondContact CD-O 3.49Å; R578-K659 PolarHBondContact NE-O 3.06Å; R578-K659 PolarHBondContact NH1-O 3.39Å
579	Y	96.7	Very high	91.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.016	21%	0.206	C	C	.	.			trans	-142.3	151.1	-173.1	-156.6	-103.6	0	0	0	110.5	G566 L567 N575 L577 F581 V588 F661	G566-Y579 WeakPolarHBondContact O-CE2 3.34Å; G566-Y579 PolarHBondContact O-OH 2.61Å; L567-Y579 HydrophobicContact CD2-CD2 4.01Å; L567-Y579 HydrophobicContact CD2-CE2 3.84Å; N575-Y579 PolarHBondContact ND2-N 3.12Å; N575-Y579 PolarHBondContact ND2-O 3.09Å; N575-Y579 PolarHBondContact OD1-N 2.89Å; N575-Y579 PolarHBondContact OD1-O 3.31Å; L577-Y579 PolarHBondContact O-N 3.09Å; Y579-F581 HydrophobicContact CD1-CD1 4.04Å; Y579-F581 AromaticContact CD1-CE1 3.72Å; Y579-F581 HydrophobicContact CD1-CE1 3.72Å; Y579-F581 HydrophobicContact CD1-CE2 4.32Å; Y579-F581 HydrophobicContact CD1-CG 4.47Å; Y579-F581 AromaticContact CD1-CZ 3.87Å; Y579-F581 HydrophobicContact CD1-CZ 3.87Å; Y579-F581 AromaticContact CE1-CD1 3.78Å; Y579-F581 HydrophobicContact CE1-CD1 3.78Å; Y579-F581 AromaticContact CE1-CE1 3.66Å; Y579-F581 HydrophobicContact CE1-CE1 3.66Å; Y579-F581 HydrophobicContact CE1-CG 4.5Å; Y579-F581 HydrophobicContact CE1-CZ 4.3Å; Y579-V588 HydrophobicContact CE1-CG1 4.5Å; Y579-F661 HydrophobicContact CD1-CE2 4.38Å; Y579-F661 HydrophobicContact CD2-CD2 4.47Å; Y579-F661 HydrophobicContact CD2-CE2 4.36Å; Y579-F661 HydrophobicContact CG-CD2 4.3Å; Y579-F661 HydrophobicContact CG-CE2 4.02Å
580	K	95.3	Very high	91.1	Very high	29 Å²	29	41.9 Å²	41.9	13%	0.126	22%	0.22	C	C	.	.			trans	-138.6	148.7	172.8	-69.7	-164.1	174.5	-154.5	0	109.5	P568 C572 L757 F759 E763	P568-K580 HydrophobicContact CB-CB 4.41Å; P568-K580 HydrophobicContact CB-CG 4.36Å; C572-K580 WeakPolarHBondContact O-CE 3.24Å; K580-L757 CarbonylContact C-O 3.53Å; K580-L757 WeakPolarHBondContact CA-O 3.23Å; K580-L757 WeakPolarHBondContact CB-O 3.43Å; K580-F759 HydrophobicContact CB-CD1 4.31Å; K580-F759 HydrophobicContact CB-CD2 3.88Å; K580-F759 HydrophobicContact CB-CE1 4.02Å; K580-F759 HydrophobicContact CB-CE2 3.55Å; K580-F759 HydrophobicContact CB-CG 4.26Å; K580-F759 HydrophobicContact CB-CZ 3.63Å; K580-F759 HydrophobicContact CD-CD1 4.08Å; K580-F759 HydrophobicContact CD-CE1 4.26Å; K580-F759 HydrophobicContact CD-CG 4.37Å; K580-E763 WeakPolarHBondContact CD-OE2 3.29Å; K580-E763 IonicContact NZ-OE1 3.37Å; K580-E763 PolarHBondContact NZ-OE1 3.36Å; K580-E763 IonicContact NZ-OE2 2.85Å; K580-E763 PolarHBondContact NZ-OE2 3.03Å
581	F	89.3	Confident	90.8	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.035	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-104.5	126	-174.4	-62.6	-79.3	0	0	0	110.4	Y579 P585 V588 L753 L757	Y579-F581 HydrophobicContact CD1-CD1 4.04Å; Y579-F581 AromaticContact CD1-CE1 3.72Å; Y579-F581 HydrophobicContact CD1-CE1 3.72Å; Y579-F581 HydrophobicContact CD1-CE2 4.32Å; Y579-F581 HydrophobicContact CD1-CG 4.47Å; Y579-F581 AromaticContact CD1-CZ 3.87Å; Y579-F581 HydrophobicContact CD1-CZ 3.87Å; Y579-F581 AromaticContact CE1-CD1 3.78Å; Y579-F581 HydrophobicContact CE1-CD1 3.78Å; Y579-F581 AromaticContact CE1-CE1 3.66Å; Y579-F581 HydrophobicContact CE1-CE1 3.66Å; Y579-F581 HydrophobicContact CE1-CG 4.5Å; Y579-F581 HydrophobicContact CE1-CZ 4.3Å; F581-P585 HydrophobicContact CB-CG 4.13Å; F581-P585 HydrophobicContact CD1-CB 3.72Å; F581-P585 HydrophobicContact CD1-CG 3.68Å; F581-P585 HydrophobicContact CD2-CB 4.3Å; F581-P585 HydrophobicContact CD2-CG 3.74Å; F581-P585 HydrophobicContact CE1-CB 3.51Å; F581-P585 HydrophobicContact CE1-CG 3.95Å; F581-P585 HydrophobicContact CE2-CB 4.13Å; F581-P585 HydrophobicContact CE2-CG 4Å; F581-P585 HydrophobicContact CG-CB 4.12Å; F581-P585 HydrophobicContact CG-CG 3.58Å; F581-P585 HydrophobicContact CZ-CB 3.74Å; F581-P585 HydrophobicContact CZ-CG 4.1Å; F581-V588 HydrophobicContact CE1-CB 4.2Å; F581-V588 HydrophobicContact CE1-CG1 4.27Å; F581-V588 HydrophobicContact CE1-CG2 4.44Å; F581-L753 HydrophobicContact CE2-CB 3.94Å; F581-L753 HydrophobicContact CE2-CD1 4.4Å; F581-L753 HydrophobicContact CZ-CD1 4.45Å; F581-L757 HydrophobicContact CD2-CB 3.89Å; F581-L757 HydrophobicContact CE2-CB 4.18Å; F581-L757 HydrophobicContact CE2-CD1 4.06Å; F581-L757 PolarHBondContact N-O 3Å
582	S	75.1	Confident	90.6	Very high	22 Å²	22	37.7 Å²	37.7	15%	0.154	20%	0.199	C	C	.	.	S	Bend	trans	-106	8.8	169.4	49.7	0	0	0	0	112.3	Y420	Y420-S582 WeakPolarHBondContact CD2-O 3.47Å; Y420-S582 WeakPolarHBondContact CE2-O 3.25Å
583	W	74.4	Confident	90.3	Very high	100 Å²	100	39.4 Å²	39.4	38%	0.379	21%	0.206	S	C	.	.	S	Bend	trans	-157.5	174.9	171	62.5	89.5	0	0	0	108.6	V588 M801	W583-V588 HydrophobicContact CZ2-CG2 4.06Å; W583-M801 HydrophobicContact CE3-CG 4.47Å; W583-M801 HydrophobicContact CH2-CE 3.69Å; W583-M801 HydrophobicContact CZ3-CE 3.85Å; W583-M801 HydrophobicContact CZ3-CG 3.82Å; W583-M801 HydrophobicContact CZ3-SD 4.42Å
584	S	80.7	Confident	90	Very high	59 Å²	59	40.5 Å²	40.5	41%	0.413	21%	0.21	S	C	.	.			trans	-52.1	126.4	-179	-176.7	0	0	0	0	112.5	Y586	S584-Y586 PolarHBondContact O-N 3.14Å; S584-Y586 VanDerWaalsContact O-N 3.11Å
585	P	88.9	Confident	89.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.8	-179.8	-26.4	35.8	0	0	0	114.9	F581 G587 V588 L589 A750 L753 E754	F581-P585 HydrophobicContact CB-CG 4.13Å; F581-P585 HydrophobicContact CD1-CB 3.72Å; F581-P585 HydrophobicContact CD1-CG 3.68Å; F581-P585 HydrophobicContact CD2-CB 4.3Å; F581-P585 HydrophobicContact CD2-CG 3.74Å; F581-P585 HydrophobicContact CE1-CB 3.51Å; F581-P585 HydrophobicContact CE1-CG 3.95Å; F581-P585 HydrophobicContact CE2-CB 4.13Å; F581-P585 HydrophobicContact CE2-CG 4Å; F581-P585 HydrophobicContact CG-CB 4.12Å; F581-P585 HydrophobicContact CG-CG 3.58Å; F581-P585 HydrophobicContact CZ-CB 3.74Å; F581-P585 HydrophobicContact CZ-CG 4.1Å; P585-G587 PolarHBondContact O-N 3.33Å; P585-V588 WeakPolarHBondContact O-CB 3.47Å; P585-V588 PolarHBondContact O-N 2.94Å; P585-L589 HydrophobicContact CB-CD1 3.97Å; P585-L589 HydrophobicContact CB-CG 4.3Å; P585-L589 WeakPolarHBondContact O-CG 3.34Å; P585-L589 PolarHBondContact O-N 3.35Å; P585-A750 HydrophobicContact CB-CB 4.12Å; P585-A750 WeakPolarHBondContact CG-O 3.38Å; P585-L753 HydrophobicContact CG-CB 4.27Å; P585-E754 HydrophobicContact CG-CB 3.91Å
586	Y	89.5	Confident	89.8	Confident	80 Å²	80	35.2 Å²	35.2	31%	0.314	19%	0.185	S	C	.	.	H	α-helix	trans	-49.8	-51	-168.8	-172.4	-84.2	0	0	0	113.2	S584 V588 L589 L590 L746 A747 A750	S584-Y586 PolarHBondContact O-N 3.14Å; S584-Y586 VanDerWaalsContact O-N 3.11Å; Y586-V588 PolarHBondContact O-N 3.4Å; Y586-L589 PolarHBondContact O-N 2.9Å; Y586-L590 HydrophobicContact CE1-CD2 4.21Å; Y586-L590 WeakPolarHBondContact O-CB 3.48Å; Y586-L590 PolarHBondContact O-N 3.47Å; Y586-L746 HydrophobicContact CD2-CD2 4.08Å; Y586-L746 HydrophobicContact CD2-CG 3.8Å; Y586-L746 HydrophobicContact CE1-CD2 4.14Å; Y586-L746 HydrophobicContact CE2-CB 4.14Å; Y586-L746 HydrophobicContact CE2-CD2 3.65Å; Y586-L746 HydrophobicContact CE2-CG 3.62Å; Y586-A747 HydrophobicContact CD2-CB 4.42Å; Y586-A747 HydrophobicContact CE2-CB 4.25Å; Y586-A750 HydrophobicContact CD2-CB 4.47Å
587	G	86.6	Confident	89.9	Confident	34 Å²	34	36.1 Å²	36.1	35%	0.351	19%	0.19	S	C	.	.	H	α-helix	trans	-67	-35.5	-179.5	0	0	0	0	0	113.5	P585 N591	P585-G587 PolarHBondContact O-N 3.33Å; G587-N591 WeakPolarHBondContact O-CB 3.34Å; G587-N591 PolarHBondContact O-N 3.37Å; G587-N591 VanDerWaalsContact O-N 3.08Å; G587-N591 PolarHBondContact O-ND2 2.77Å; G587-N591 VanDerWaalsContact O-ND2 3.16Å
588	V	89.6	Confident	89.9	Confident	14 Å²	14	36.7 Å²	36.7	9%	0.085	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-42.2	177.7	178.9	0	0	0	0	110.5	Y579 F581 W583 P585 Y586 F661	Y579-V588 HydrophobicContact CE1-CG1 4.5Å; F581-V588 HydrophobicContact CE1-CB 4.2Å; F581-V588 HydrophobicContact CE1-CG1 4.27Å; F581-V588 HydrophobicContact CE1-CG2 4.44Å; W583-V588 HydrophobicContact CZ2-CG2 4.06Å; P585-V588 WeakPolarHBondContact O-CB 3.47Å; P585-V588 PolarHBondContact O-N 2.94Å; Y586-V588 PolarHBondContact O-N 3.4Å; V588-F661 HydrophobicContact CG1-CZ 4.28Å
589	L	92.4	Very high	89.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-47.2	177.7	-67.5	171.4	0	0	0	111.4	P585 Y586 N591 T592 M665 I674 L746 L749 A750 L753	P585-L589 HydrophobicContact CB-CD1 3.97Å; P585-L589 HydrophobicContact CB-CG 4.3Å; P585-L589 WeakPolarHBondContact O-CG 3.34Å; P585-L589 PolarHBondContact O-N 3.35Å; Y586-L589 PolarHBondContact O-N 2.9Å; L589-N591 PolarHBondContact O-N 3.49Å; L589-T592 WeakPolarHBondContact O-CB 3.31Å; L589-T592 PolarHBondContact O-N 2.96Å; L589-T592 PolarHBondContact O-OG1 3.21Å; L589-M665 HydrophobicContact CD2-CE 3.87Å; L589-M665 HydrophobicContact CD2-SD 3.78Å; L589-I674 HydrophobicContact CB-CD1 4.27Å; L589-I674 HydrophobicContact CD2-CD1 4.21Å; L589-L746 HydrophobicContact CB-CD1 3.57Å; L589-L746 HydrophobicContact CD1-CD1 3.82Å; L589-L746 HydrophobicContact CG-CD1 4.35Å; L589-L749 HydrophobicContact CD1-CD2 3.97Å; L589-L749 HydrophobicContact CD1-CG 4Å; L589-L749 HydrophobicContact CD2-CD2 4.39Å; L589-A750 HydrophobicContact CD1-CB 4.14Å; L589-L753 HydrophobicContact CD1-CD1 4.09Å; L589-L753 HydrophobicContact CD2-CD1 3.86Å; L589-L753 HydrophobicContact CG-CD1 4.49Å
590	L	90.8	Very high	89.8	Confident	57 Å²	57	40.6 Å²	40.6	30%	0.298	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-38.6	177.7	-174.7	61.8	0	0	0	111.9	Y586 T592 M593 T676 L746	Y586-L590 HydrophobicContact CE1-CD2 4.21Å; Y586-L590 WeakPolarHBondContact O-CB 3.48Å; Y586-L590 PolarHBondContact O-N 3.47Å; L590-T592 PolarHBondContact O-N 3.1Å; L590-T592 VanDerWaalsContact O-N 3.1Å; L590-M593 PolarHBondContact O-N 3.33Å; L590-T676 HydrophobicContact CD1-CG2 3.85Å; L590-L746 HydrophobicContact CB-CD2 4.18Å; L590-L746 HydrophobicContact CD1-CD2 4.12Å
591	N	89.4	Confident	89.8	Confident	66 Å²	66	44.8 Å²	44.8	35%	0.353	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.5	-21.1	178.2	-77.3	-26.7	0	0	0	113.9	G587 L589 M593 N594	G587-N591 WeakPolarHBondContact O-CB 3.34Å; G587-N591 PolarHBondContact O-N 3.37Å; G587-N591 VanDerWaalsContact O-N 3.08Å; G587-N591 PolarHBondContact O-ND2 2.77Å; G587-N591 VanDerWaalsContact O-ND2 3.16Å; L589-N591 PolarHBondContact O-N 3.49Å; N591-M593 PolarHBondContact O-N 3.42Å; N591-N594 PolarHBondContact O-N 3.08Å; N591-N594 PolarHBondContact OD1-ND2 2.8Å
592	T	90.6	Very high	90	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-70.5	-19.4	176.1	69.1	0	0	0	0	112.9	L589 L590 M614 M665	L589-T592 WeakPolarHBondContact O-CB 3.31Å; L589-T592 PolarHBondContact O-N 2.96Å; L589-T592 PolarHBondContact O-OG1 3.21Å; L590-T592 PolarHBondContact O-N 3.1Å; L590-T592 VanDerWaalsContact O-N 3.1Å; T592-M614 HydrophobicContact CG2-CE 4.26Å; T592-M614 HydrophobicContact CG2-SD 3.92Å; T592-M665 HydrophobicContact CG2-CB 4.2Å; T592-M665 HydrophobicContact CG2-CG 3.98Å; T592-M665 HydrophobicContact CG2-SD 4.11Å
593	M	90.1	Very high	90.9	Very high	50 Å²	50	52.7 Å²	52.7	25%	0.246	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-96.9	-9.7	178.6	-67.5	-66.4	-79.6	0	0	113.4	L590 N591 A609 G610 V669 I674	L590-M593 PolarHBondContact O-N 3.33Å; N591-M593 PolarHBondContact O-N 3.42Å; M593-A609 WeakPolarHBondContact O-CA 3.24Å; M593-A609 WeakPolarHBondContact O-CB 3.43Å; M593-G610 PolarHBondContact O-N 3.04Å; M593-V669 HydrophobicContact SD-CB 4.43Å; M593-V669 HydrophobicContact SD-CG1 3.95Å; M593-V669 HydrophobicContact SD-CG2 3.74Å; M593-I674 HydrophobicContact CB-CG2 4.45Å; M593-I674 HydrophobicContact CG-CB 3.8Å; M593-I674 HydrophobicContact CG-CG2 3.37Å; M593-I674 HydrophobicContact SD-CB 4.34Å
594	N	89.6	Confident	92	Very high	47 Å²	47	52.7 Å²	52.7	25%	0.251	29%	0.293	S	S	.	.	S	Bend	trans	-70	150.9	-176.2	-77.3	-16.4	0	0	0	112.2	N591	N591-N594 PolarHBondContact O-N 3.08Å; N591-N594 PolarHBondContact OD1-ND2 2.8Å
595	P	93.3	Very high	92.7	Very high	62 Å²	62	52.2 Å²	52.2	40%	0.403	29%	0.287	S	S	.	.			trans	-71	159.4	170.3	32	-34	0	0	0	110.9	I607 A609	P595-I607 VanDerWaalsContact CA-O 3.28Å; P595-I607 WeakPolarHBondContact CA-O 3.45Å; P595-I607 WeakPolarHBondContact CB-O 3.5Å; P595-A609 HydrophobicContact CB-CB 4.4Å
596	A	95	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.1	170.5	0	0	0	0	0	111.7	I607 L613 P632 R634	A596-I607 HydrophobicContact CB-CB 4.35Å; A596-I607 HydrophobicContact CB-CD1 4.46Å; A596-I607 PolarHBondContact N-O 3.4Å; A596-I607 PolarHBondContact O-N 2.93Å; A596-L613 HydrophobicContact CB-CD1 3.72Å; A596-P632 HydrophobicContact CB-CB 4.02Å; A596-P632 HydrophobicContact CB-CG 3.87Å; A596-R634 CarbonylContact C-O 3.54Å; A596-R634 WeakPolarHBondContact CA-O 3.42Å
597	V	96.4	Very high	93.3	Very high	37 Å²	37	53.3 Å²	53.3	22%	0.224	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.7	177.5	-172.8	0	0	0	0	108.5	V604 V605 R634 D635 S636 T637	V597-V604 HydrophobicContact CG1-CG1 3.67Å; V597-V605 WeakPolarHBondContact CA-O 3.34Å; V597-R634 PolarHBondContact N-O 3.35Å; V597-D635 WeakPolarHBondContact O-CA 3.15Å; V597-S636 PolarHBondContact O-N 3.18Å; V597-T637 HydrophobicContact CG1-CG2 3.95Å
598	F	96.5	Very high	93.5	Very high	14 Å²	14	55.5 Å²	55.5	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	164.6	-178.7	61	-85.6	0	0	0	111.1	R600 V605 I607 P632 L651 I652	F598-R600 HydrophobicContact CD2-CB 4.28Å; F598-R600 HydrophobicContact CE2-CB 4.09Å; F598-V605 HydrophobicContact CD1-CB 4.33Å; F598-V605 HydrophobicContact CD2-CB 4.14Å; F598-V605 HydrophobicContact CD2-CG2 4.47Å; F598-V605 HydrophobicContact CE1-CB 3.9Å; F598-V605 HydrophobicContact CE1-CG1 3.73Å; F598-V605 HydrophobicContact CE2-CB 3.71Å; F598-V605 HydrophobicContact CE2-CG1 4.06Å; F598-V605 HydrophobicContact CE2-CG2 3.92Å; F598-V605 HydrophobicContact CG-CB 4.44Å; F598-V605 HydrophobicContact CZ-CB 3.59Å; F598-V605 HydrophobicContact CZ-CG1 3.44Å; F598-V605 VanDerWaalsContact CZ-CG1 3.44Å; F598-V605 HydrophobicContact CZ-CG2 4.18Å; F598-V605 PolarHBondContact N-O 3.41Å; F598-V605 PolarHBondContact O-N 2.85Å; F598-I607 HydrophobicContact CE1-CD1 4.1Å; F598-P632 HydrophobicContact CD1-CB 3.73Å; F598-P632 HydrophobicContact CD1-CG 4Å; F598-P632 HydrophobicContact CE1-CB 3.92Å; F598-P632 HydrophobicContact CE1-CG 3.68Å; F598-P632 HydrophobicContact CG-CB 4.48Å; F598-L651 WeakPolarHBondContact CB-O 3.21Å; F598-I652 HydrophobicContact CB-CB 4.3Å; F598-I652 HydrophobicContact CB-CG1 4.18Å; F598-I652 HydrophobicContact CD2-CB 4.28Å; F598-I652 HydrophobicContact CD2-CD1 3.84Å; F598-I652 HydrophobicContact CD2-CG1 4.12Å; F598-I652 HydrophobicContact CE2-CD1 3.99Å; F598-I652 HydrophobicContact CG-CD1 4.16Å; F598-I652 HydrophobicContact CG-CG1 4.13Å; F598-I652 HydrophobicContact CZ-CD1 4.45Å
599	L	96.7	Very high	93.5	Very high	33 Å²	33	57.9 Å²	57.9	17%	0.173	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.9	177.3	-170.1	74.9	0	0	0	109.3	E603 V604 A648 H649 T650 L651	L599-E603 WeakPolarHBondContact CA-O 3.01Å; L599-V604 HydrophobicContact CD1-CG2 4Å; L599-A648 WeakPolarHBondContact CD2-O 3.46Å; L599-H649 WeakPolarHBondContact CD2-O 3.49Å; L599-H649 WeakPolarHBondContact CG-O 3.43Å; L599-T650 WeakPolarHBondContact O-CA 3.06Å; L599-L651 HydrophobicContact CB-CB 3.97Å; L599-L651 PolarHBondContact N-O 3.1Å; L599-L651 PolarHBondContact O-N 3.42Å
600	R	95.8	Very high	93	Very high	138 Å²	138	59.9 Å²	59.9	52%	0.521	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	122.8	175	-169.5	178.1	-150.8	158.2	9.2	109.6	F598 G602 E603 V605 H649	F598-R600 HydrophobicContact CD2-CB 4.28Å; F598-R600 HydrophobicContact CE2-CB 4.09Å; R600-G602 PolarHBondContact O-N 2.85Å; R600-G602 VanDerWaalsContact O-N 3.14Å; R600-E603 PolarHBondContact N-O 3.05Å; R600-E603 PolarHBondContact O-N 3Å; R600-V605 HydrophobicContact CB-CG2 4.09Å; R600-H649 CarbonylContact C-O 3.59Å
601	D	94	Very high	92.5	Very high	118 Å²	118	57.5 Å²	57.5	63%	0.631	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	36.3	176.1	-51.5	-38	0	0	0	113.5	E603 H649 T650	D601-E603 VanDerWaalsContact C-N 3.34Å; D601-H649 PolarHBondContact N-O 2.68Å; D601-T650 PolarHBondContact N-OG1 3.44Å; D601-T650 VanDerWaalsContact N-OG1 3.08Å; D601-T650 PolarHBondContact OD1-OG1 3.12Å
602	G	93.6	Very high	92.4	Very high	52 Å²	52	57.2 Å²	57.2	54%	0.536	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-6.5	-179.5	0	0	0	0	0	114.7	R600 H649	R600-G602 PolarHBondContact O-N 2.85Å; R600-G602 VanDerWaalsContact O-N 3.14Å; G602-H649 PolarHBondContact N-O 3.26Å
603	E	95.8	Very high	92.5	Very high	144 Å²	144	57.2 Å²	57.2	67%	0.673	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.1	-178.7	-62.8	-169.9	168.5	0	0	112.2	L599 R600 D601 V605	L599-E603 WeakPolarHBondContact CA-O 3.01Å; R600-E603 PolarHBondContact N-O 3.05Å; R600-E603 PolarHBondContact O-N 3Å; D601-E603 VanDerWaalsContact C-N 3.34Å; E603-V605 PolarHBondContact O-N 3.46Å
604	V	96.6	Very high	92.7	Very high	99 Å²	99	55.1 Å²	55.1	60%	0.6	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	113	173.2	179.3	0	0	0	0	108.7	V597 L599 T637	V597-V604 HydrophobicContact CG1-CG1 3.67Å; L599-V604 HydrophobicContact CD1-CG2 4Å; V604-T637 HydrophobicContact CG1-CG2 4.48Å
605	V	96.1	Very high	92.7	Very high	49 Å²	49	58.7 Å²	58.7	30%	0.297	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.6	175.6	-175.5	0	0	0	0	108.8	V597 F598 R600 E603	V597-V605 WeakPolarHBondContact CA-O 3.34Å; F598-V605 HydrophobicContact CD1-CB 4.33Å; F598-V605 HydrophobicContact CD2-CB 4.14Å; F598-V605 HydrophobicContact CD2-CG2 4.47Å; F598-V605 HydrophobicContact CE1-CB 3.9Å; F598-V605 HydrophobicContact CE1-CG1 3.73Å; F598-V605 HydrophobicContact CE2-CB 3.71Å; F598-V605 HydrophobicContact CE2-CG1 4.06Å; F598-V605 HydrophobicContact CE2-CG2 3.92Å; F598-V605 HydrophobicContact CG-CB 4.44Å; F598-V605 HydrophobicContact CZ-CB 3.59Å; F598-V605 HydrophobicContact CZ-CG1 3.44Å; F598-V605 VanDerWaalsContact CZ-CG1 3.44Å; F598-V605 HydrophobicContact CZ-CG2 4.18Å; F598-V605 PolarHBondContact N-O 3.41Å; F598-V605 PolarHBondContact O-N 2.85Å; R600-V605 HydrophobicContact CB-CG2 4.09Å; E603-V605 PolarHBondContact O-N 3.46Å
606	S	96	Very high	92.6	Very high	83 Å²	83	57.4 Å²	57.4	58%	0.58	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.3	179.3	179	0	0	0	0	110.9
607	I	94	Very high	92.6	Very high	20 Å²	20	58.7 Å²	58.7	10%	0.103	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.1	173.7	-58.2	174.6	0	0	0	107.6	P595 A596 F598 L613 S616 P632	P595-I607 VanDerWaalsContact CA-O 3.28Å; P595-I607 WeakPolarHBondContact CA-O 3.45Å; P595-I607 WeakPolarHBondContact CB-O 3.5Å; A596-I607 HydrophobicContact CB-CB 4.35Å; A596-I607 HydrophobicContact CB-CD1 4.46Å; A596-I607 PolarHBondContact N-O 3.4Å; A596-I607 PolarHBondContact O-N 2.93Å; F598-I607 HydrophobicContact CE1-CD1 4.1Å; I607-L613 HydrophobicContact CD1-CD1 4.11Å; I607-L613 HydrophobicContact CG2-CB 4.4Å; I607-L613 HydrophobicContact CG2-CD1 4.4Å; I607-S616 VanDerWaalsContact CD1-CB 3.49Å; I607-S616 WeakPolarHBondContact CD1-OG 3.34Å; I607-P632 HydrophobicContact CD1-CG 3.73Å
608	P	92.3	Very high	92.5	Very high	80 Å²	80	60.4 Å²	60.4	52%	0.519	37%	0.367	S	S	.	.			trans	-69.6	161.4	-177.9	29.6	-34.8	0	0	0	112.1	T612	P608-T612 PolarHBondContact O-OG1 2.9Å
609	A	88.8	Confident	92.5	Very high	65 Å²	65	62.5 Å²	62.5	54%	0.537	39%	0.387	S	S	.	.	S	Bend	trans	-65.3	161.6	168.8	0	0	0	0	0	111	M593 P595	M593-A609 WeakPolarHBondContact O-CA 3.24Å; M593-A609 WeakPolarHBondContact O-CB 3.43Å; P595-A609 HydrophobicContact CB-CB 4.4Å
610	G	82.7	Confident	92.4	Very high	42 Å²	42	62 Å²	62	43%	0.433	38%	0.384	S	S	.	.	S	Bend	trans	108.4	16.8	177.2	0	0	0	0	0	115.1	M593	M593-G610 PolarHBondContact O-N 3.04Å
611	G	79.8	Confident	92.3	Very high	6 Å²	6	60.5 Å²	60.5	6%	0.062	39%	0.386	C	S	.	.	S	Bend	trans	94.7	-3.9	166.4	0	0	0	0	0	116.3	L613 M614	G611-L613 PolarHBondContact O-N 3.11Å; G611-L613 VanDerWaalsContact O-N 3.15Å; G611-M614 PolarHBondContact O-N 3.18Å
612	T	87.6	Confident	92.1	Very high	60 Å²	60	57.3 Å²	57.3	37%	0.368	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-63	-15.8	171.5	54	0	0	0	0	112.9	P608 M614 D615	P608-T612 PolarHBondContact O-OG1 2.9Å; T612-M614 PolarHBondContact O-N 3.04Å; T612-D615 WeakPolarHBondContact O-CB 3.41Å; T612-D615 PolarHBondContact O-N 2.75Å; T612-D615 VanDerWaalsContact O-N 3.1Å
613	L	92.1	Very high	91.9	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-54.4	-39.6	173	-177.1	62.9	0	0	0	112.5	A596 I607 G611 D615 S616 F631 P632	A596-L613 HydrophobicContact CB-CD1 3.72Å; I607-L613 HydrophobicContact CD1-CD1 4.11Å; I607-L613 HydrophobicContact CG2-CB 4.4Å; I607-L613 HydrophobicContact CG2-CD1 4.4Å; G611-L613 PolarHBondContact O-N 3.11Å; G611-L613 VanDerWaalsContact O-N 3.15Å; L613-D615 PolarHBondContact O-N 3.1Å; L613-S616 WeakPolarHBondContact O-CB 3.45Å; L613-S616 PolarHBondContact O-N 3.24Å; L613-S616 VanDerWaalsContact O-N 3.09Å; L613-S616 PolarHBondContact O-OG 3.01Å; L613-F631 HydrophobicContact CD2-CD2 4.08Å; L613-F631 HydrophobicContact CD2-CE2 4.41Å; L613-F631 HydrophobicContact CG-CD2 4.17Å; L613-P632 HydrophobicContact CD1-CG 3.95Å; L613-P632 WeakPolarHBondContact CD1-O 3.14Å
614	M	93.4	Very high	91.6	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.03	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-67.4	-26.9	-179.3	-62.8	-61.2	93.1	0	0	112.5	T592 G611 T612 S616 A617 F631 M665	T592-M614 HydrophobicContact CG2-CE 4.26Å; T592-M614 HydrophobicContact CG2-SD 3.92Å; G611-M614 PolarHBondContact O-N 3.18Å; T612-M614 PolarHBondContact O-N 3.04Å; M614-S616 PolarHBondContact O-N 2.93Å; M614-A617 WeakPolarHBondContact O-CB 3.36Å; M614-A617 PolarHBondContact O-N 3.46Å; M614-F631 HydrophobicContact CE-CD1 4.16Å; M614-F631 HydrophobicContact CE-CD2 3.83Å; M614-F631 HydrophobicContact CE-CE1 4.14Å; M614-F631 HydrophobicContact CE-CE2 3.8Å; M614-F631 HydrophobicContact CE-CG 4.01Å; M614-F631 HydrophobicContact CE-CZ 3.96Å; M614-M665 HydrophobicContact CG-CB 4.02Å; M614-M665 HydrophobicContact SD-CB 3.92Å; M614-M665 HydrophobicContact SD-CG 4.47Å
615	D	90.1	Very high	91.3	Very high	122 Å²	122	55.1 Å²	55.1	65%	0.652	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-73.6	-15.8	175.8	-58.2	-40.7	0	0	0	112.4	T612 L613 A617	T612-D615 WeakPolarHBondContact O-CB 3.41Å; T612-D615 PolarHBondContact O-N 2.75Å; T612-D615 VanDerWaalsContact O-N 3.1Å; L613-D615 PolarHBondContact O-N 3.1Å; D615-A617 VanDerWaalsContact C-N 3.34Å
616	S	92.1	Very high	91.2	Very high	35 Å²	35	54.4 Å²	54.4	25%	0.245	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-86.1	-2.2	176.5	77.9	0	0	0	0	114.2	I607 L613 M614 T618 P632	I607-S616 VanDerWaalsContact CD1-CB 3.49Å; I607-S616 WeakPolarHBondContact CD1-OG 3.34Å; L613-S616 WeakPolarHBondContact O-CB 3.45Å; L613-S616 PolarHBondContact O-N 3.24Å; L613-S616 VanDerWaalsContact O-N 3.09Å; L613-S616 PolarHBondContact O-OG 3.01Å; M614-S616 PolarHBondContact O-N 2.93Å; S616-T618 PolarHBondContact O-N 2.79Å; S616-P632 WeakPolarHBondContact OG-CD 3.48Å
617	A	94.4	Very high	91.2	Very high	26 Å²	26	53.7 Å²	53.7	22%	0.215	36%	0.355	C	S	.	.			trans	-62.1	134.3	-179.7	0	0	0	0	0	111.2	M614 D615 G630 F631	M614-A617 WeakPolarHBondContact O-CB 3.36Å; M614-A617 PolarHBondContact O-N 3.46Å; D615-A617 VanDerWaalsContact C-N 3.34Å; A617-G630 WeakPolarHBondContact CA-O 3.44Å; A617-F631 HydrophobicContact CB-CB 4.3Å
618	T	95.1	Very high	91.4	Very high	73 Å²	73	52.7 Å²	52.7	45%	0.448	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.2	-179.3	52.3	0	0	0	0	111	S616 M620 E629 G630	S616-T618 PolarHBondContact O-N 2.79Å; T618-M620 WeakPolarHBondContact OG1-CE 3.39Å; T618-E629 CarbonylContact O-C 3.58Å; T618-E629 WeakPolarHBondContact O-CA 3.32Å; T618-G630 PolarHBondContact N-O 3.19Å; T618-G630 PolarHBondContact O-N 3.15Å; T618-G630 PolarHBondContact OG1-O 3.17Å
619	A	95.9	Very high	91.7	Very high	58 Å²	58	49.6 Å²	49.6	48%	0.479	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	138.7	175.3	0	0	0	0	0	111.1
620	M	95.3	Very high	92	Very high	23 Å²	23	46.5 Å²	46.5	11%	0.113	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	89.3	-177.2	-68	-64	171.7	0	0	109.8	F563 T618 F622 L628 L656	F563-M620 HydrophobicContact CD1-CE 3.94Å; F563-M620 HydrophobicContact CD2-CE 4.45Å; F563-M620 HydrophobicContact CE1-CE 3.46Å; F563-M620 VanDerWaalsContact CE1-CE 3.46Å; F563-M620 HydrophobicContact CE2-CE 4.02Å; F563-M620 HydrophobicContact CG-CE 4.42Å; F563-M620 HydrophobicContact CZ-CE 3.5Å; T618-M620 WeakPolarHBondContact OG1-CE 3.39Å; M620-F622 HydrophobicContact CB-CD1 4.23Å; M620-F622 HydrophobicContact CB-CE1 3.63Å; M620-F622 HydrophobicContact CB-CZ 4.08Å; M620-F622 HydrophobicContact CG-CE1 4.12Å; M620-F622 HydrophobicContact SD-CE1 3.95Å; M620-L628 HydrophobicContact CB-CB 3.81Å; M620-L628 PolarHBondContact N-O 3.12Å; M620-L656 HydrophobicContact CB-CD2 4.07Å; M620-L656 HydrophobicContact CG-CD2 3.78Å
621	D	92.2	Very high	92.7	Very high	106 Å²	106	45 Å²	45	57%	0.567	28%	0.284	S	S	*	.			trans	-98.2	17.9	-168	-54.2	-46.6	0	0	0	113.6	F623 K659	D621-F623 PolarHBondContact O-N 2.74Å; D621-K659 IonicContact OD1-NZ 2.67Å; D621-K659 PolarHBondContact OD1-NZ 2.66Å
622	F	90.3	Very high	93.4	Very high	51 Å²	51	45 Å²	45	22%	0.224	28%	0.284	C	S	.	.	S	Bend	trans	-68.2	-15.8	-179.7	49.4	-109.2	0	0	0	114.1	M620 L628 L656 I768 R770	M620-F622 HydrophobicContact CB-CD1 4.23Å; M620-F622 HydrophobicContact CB-CE1 3.63Å; M620-F622 HydrophobicContact CB-CZ 4.08Å; M620-F622 HydrophobicContact CG-CE1 4.12Å; M620-F622 HydrophobicContact SD-CE1 3.95Å; F622-L628 HydrophobicContact CE2-CD1 3.89Å; F622-L628 HydrophobicContact CZ-CD1 4.11Å; F622-L656 HydrophobicContact CE1-CD2 4.31Å; F622-L656 HydrophobicContact CE2-CD1 4.47Å; F622-L656 HydrophobicContact CZ-CD1 3.85Å; F622-L656 HydrophobicContact CZ-CD2 3.83Å; F622-I768 HydrophobicContact CE2-CG2 4.48Å; F622-R770 HydrophobicContact CD1-CG 4.26Å; F622-R770 HydrophobicContact CD2-CB 4.34Å; F622-R770 HydrophobicContact CD2-CG 4.16Å; F622-R770 HydrophobicContact CE1-CB 4.34Å; F622-R770 HydrophobicContact CE1-CG 4.28Å; F622-R770 HydrophobicContact CE2-CB 3.92Å; F622-R770 HydrophobicContact CE2-CG 4.22Å; F622-R770 HydrophobicContact CG-CG 4.2Å; F622-R770 HydrophobicContact CZ-CB 3.92Å; F622-R770 HydrophobicContact CZ-CG 4.28Å
623	F	89.9	Confident	93.3	Very high	42 Å²	42	43.9 Å²	43.9	18%	0.184	28%	0.275	C	S	.	.	S	Bend	trans	-123.3	101.5	168.6	-63.9	-54	0	0	0	110.1	D621 G625 F626 L628 I768 V790	D621-F623 PolarHBondContact O-N 2.74Å; F623-G625 PolarHBondContact O-N 2.88Å; F623-F626 HydrophobicContact CB-CB 4.43Å; F623-F626 HydrophobicContact CB-CD2 3.56Å; F623-F626 HydrophobicContact CB-CE2 4.36Å; F623-F626 HydrophobicContact CB-CG 4.47Å; F623-F626 HydrophobicContact CD2-CD2 4.1Å; F623-F626 HydrophobicContact CG-CD2 4.06Å; F623-F626 PolarHBondContact O-N 3.19Å; F623-L628 HydrophobicContact CD2-CD1 4.41Å; F623-I768 HydrophobicContact CD2-CG2 3.93Å; F623-I768 HydrophobicContact CE2-CG2 3.56Å; F623-V790 HydrophobicContact CE2-CG2 4.34Å; F623-V790 HydrophobicContact CZ-CG2 4.25Å
624	P	88.8	Confident	93.1	Very high	133 Å²	133	48.8 Å²	48.8	86%	0.864	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.6	-174.8	-28.5	35.2	0	0	0	115.2	F626	P624-F626 VanDerWaalsContact C-N 3.33Å
625	G	90.6	Very high	93.1	Very high	75 Å²	75	51.5 Å²	51.5	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.4	177.6	0	0	0	0	0	115	F623	F623-G625 PolarHBondContact O-N 2.88Å
626	F	94.7	Very high	93.3	Very high	34 Å²	34	45.7 Å²	45.7	15%	0.149	28%	0.277	C	S	.	.	S	Bend	trans	-115	138.5	179.2	-62.3	-68.7	0	0	0	111.3	P570 F623 P624 L628 F658 L766 I768 V790 Y792	P570-F626 HydrophobicContact CG-CD1 3.82Å; P570-F626 HydrophobicContact CG-CE1 3.51Å; F623-F626 HydrophobicContact CB-CB 4.43Å; F623-F626 HydrophobicContact CB-CD2 3.56Å; F623-F626 HydrophobicContact CB-CE2 4.36Å; F623-F626 HydrophobicContact CB-CG 4.47Å; F623-F626 HydrophobicContact CD2-CD2 4.1Å; F623-F626 HydrophobicContact CG-CD2 4.06Å; F623-F626 PolarHBondContact O-N 3.19Å; P624-F626 VanDerWaalsContact C-N 3.33Å; F626-L628 HydrophobicContact CB-CD1 3.95Å; F626-L628 HydrophobicContact CB-CD2 4.13Å; F626-L628 HydrophobicContact CB-CG 3.68Å; F626-L628 PolarHBondContact O-N 2.59Å; F626-F658 HydrophobicContact CD1-CE1 4.18Å; F626-L766 HydrophobicContact CD1-CD2 4.39Å; F626-L766 HydrophobicContact CE1-CD2 3.59Å; F626-L766 HydrophobicContact CZ-CD2 3.96Å; F626-I768 HydrophobicContact CD1-CD1 4.14Å; F626-I768 HydrophobicContact CD2-CD1 3.86Å; F626-I768 HydrophobicContact CE1-CD1 4.2Å; F626-I768 HydrophobicContact CE2-CD1 3.96Å; F626-I768 HydrophobicContact CG-CD1 3.98Å; F626-I768 HydrophobicContact CZ-CD1 4.13Å; F626-V790 HydrophobicContact CZ-CG1 4.48Å; F626-Y792 WeakPolarHBondContact CZ-OH 3.05Å
627	S	96	Very high	93.4	Very high	67 Å²	67	46.2 Å²	46.2	47%	0.469	28%	0.279	S	S	.	.			trans	-94.2	77	175.4	-168.9	0	0	0	0	109.9	F658 K659	S627-F658 CarbonylContact O-C 3.43Å; S627-F658 WeakPolarHBondContact O-CA 3.19Å; S627-F658 WeakPolarHBondContact O-CD1 3.28Å; S627-K659 PolarHBondContact O-N 3.38Å; S627-K659 WeakPolarHBondContact OG-CD 3.08Å
628	L	97.8	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	148.8	-172.4	-58.3	172.3	0	0	0	113.1	L567 M620 F622 F623 F626 R657 F658 K659 I768	L567-L628 HydrophobicContact CD1-CD2 3.89Å; M620-L628 HydrophobicContact CB-CB 3.81Å; M620-L628 PolarHBondContact N-O 3.12Å; F622-L628 HydrophobicContact CE2-CD1 3.89Å; F622-L628 HydrophobicContact CZ-CD1 4.11Å; F623-L628 HydrophobicContact CD2-CD1 4.41Å; F626-L628 HydrophobicContact CB-CD1 3.95Å; F626-L628 HydrophobicContact CB-CD2 4.13Å; F626-L628 HydrophobicContact CB-CG 3.68Å; F626-L628 PolarHBondContact O-N 2.59Å; L628-R657 CarbonylContact C-O 3.58Å; L628-R657 WeakPolarHBondContact CA-O 3.41Å; L628-F658 HydrophobicContact CD2-CD1 3.79Å; L628-F658 HydrophobicContact CD2-CE1 3.82Å; L628-K659 WeakPolarHBondContact O-CE 3.36Å; L628-K659 WeakPolarHBondContact O-CG 3.42Å; L628-I768 HydrophobicContact CD1-CD1 4Å; L628-I768 HydrophobicContact CD1-CG2 4.43Å; L628-I768 HydrophobicContact CD2-CD1 4.02Å
629	E	97.5	Very high	93.2	Very high	15 Å²	15	45.6 Å²	45.6	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	154.1	162.8	62	-178.2	-144.6	0	0	109.4	T618 L656 R657 K659 G660 F661 S662	T618-E629 CarbonylContact O-C 3.58Å; T618-E629 WeakPolarHBondContact O-CA 3.32Å; E629-L656 WeakPolarHBondContact O-CA 3.21Å; E629-R657 HydrophobicContact CG-CB 4.09Å; E629-R657 PolarHBondContact N-O 3.17Å; E629-R657 PolarHBondContact O-N 3.02Å; E629-R657 VanDerWaalsContact O-O 3.08Å; E629-K659 HydrophobicContact CB-CG 4.23Å; E629-K659 VanDerWaalsContact OE2-CA 3.27Å; E629-K659 WeakPolarHBondContact OE2-CA 3.31Å; E629-G660 PolarHBondContact OE2-N 2.61Å; E629-F661 PolarHBondContact OE1-N 3.28Å; E629-S662 WeakPolarHBondContact OE1-CB 3.24Å; E629-S662 PolarHBondContact OE1-N 3.22Å; E629-S662 PolarHBondContact OE1-OG 2.83Å; E629-S662 PolarHBondContact OE2-OG 2.73Å
630	G	96.7	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.2	176.2	0	0	0	0	0	113.5	A617 T618 T655	A617-G630 WeakPolarHBondContact CA-O 3.44Å; T618-G630 PolarHBondContact N-O 3.19Å; T618-G630 PolarHBondContact O-N 3.15Å; T618-G630 PolarHBondContact OG1-O 3.17Å; G630-T655 WeakPolarHBondContact CA-O 3.39Å
631	F	95.9	Very high	93.1	Very high	9 Å²	9	50.4 Å²	50.4	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.7	178.3	54.2	-93.3	0	0	0	109.8	L613 M614 A617 G654 T655 R657 F661	L613-F631 HydrophobicContact CD2-CD2 4.08Å; L613-F631 HydrophobicContact CD2-CE2 4.41Å; L613-F631 HydrophobicContact CG-CD2 4.17Å; M614-F631 HydrophobicContact CE-CD1 4.16Å; M614-F631 HydrophobicContact CE-CD2 3.83Å; M614-F631 HydrophobicContact CE-CE1 4.14Å; M614-F631 HydrophobicContact CE-CE2 3.8Å; M614-F631 HydrophobicContact CE-CG 4.01Å; M614-F631 HydrophobicContact CE-CZ 3.96Å; A617-F631 HydrophobicContact CB-CB 4.3Å; F631-G654 CarbonylContact O-C 3.43Å; F631-G654 WeakPolarHBondContact O-CA 3.44Å; F631-T655 HydrophobicContact CE1-CG2 4.25Å; F631-T655 HydrophobicContact CE2-CG2 4.25Å; F631-T655 HydrophobicContact CZ-CG2 3.76Å; F631-T655 PolarHBondContact N-O 3.5Å; F631-T655 PolarHBondContact O-N 2.93Å; F631-R657 HydrophobicContact CE1-CG 3.97Å; F631-F661 HydrophobicContact CE1-CD1 4.5Å
632	P	95	Very high	93.1	Very high	8 Å²	8	48.9 Å²	48.9	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	155.3	-176.7	28	-34.6	0	0	0	112.5	A596 F598 I607 L613 S616 I652 R653	A596-P632 HydrophobicContact CB-CB 4.02Å; A596-P632 HydrophobicContact CB-CG 3.87Å; F598-P632 HydrophobicContact CD1-CB 3.73Å; F598-P632 HydrophobicContact CD1-CG 4Å; F598-P632 HydrophobicContact CE1-CB 3.92Å; F598-P632 HydrophobicContact CE1-CG 3.68Å; F598-P632 HydrophobicContact CG-CB 4.48Å; I607-P632 HydrophobicContact CD1-CG 3.73Å; L613-P632 HydrophobicContact CD1-CG 3.95Å; L613-P632 WeakPolarHBondContact CD1-O 3.14Å; S616-P632 WeakPolarHBondContact OG-CD 3.48Å; P632-I652 HydrophobicContact CB-CD1 4.2Å; P632-I652 HydrophobicContact CB-CG1 4.32Å; P632-R653 CarbonylContact C-O 3.52Å; P632-R653 WeakPolarHBondContact CA-O 3.15Å
633	N	86.6	Confident	93.3	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.193	26%	0.261	C	S	.	.			trans	-119.8	125	-177	-73.1	-13.3	0	0	0	111.6	R653 T655	N633-R653 PolarHBondContact N-O 3.12Å; N633-T655 PolarHBondContact ND2-N 3.09Å; N633-T655 PolarHBondContact ND2-OG1 2.93Å; N633-T655 WeakPolarHBondContact OD1-CB 3.18Å; N633-T655 PolarHBondContact OD1-N 3.09Å; N633-T655 PolarHBondContact OD1-OG1 3.03Å
634	R	86.8	Confident	93.5	Very high	106 Å²	106	45.7 Å²	45.7	40%	0.4	26%	0.263	S	S	.	.	S	Bend	trans	48.1	-141.3	168.4	-57.4	179.4	176.4	175.2	-1.9	110.9	A596 V597	A596-R634 CarbonylContact C-O 3.54Å; A596-R634 WeakPolarHBondContact CA-O 3.42Å; V597-R634 PolarHBondContact N-O 3.35Å
635	D	92.9	Very high	93.9	Very high	62 Å²	62	39.4 Å²	39.4	33%	0.332	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-100.5	113.8	176.3	-175.9	3.4	0	0	0	110.9	V597 T637 K638	V597-D635 WeakPolarHBondContact O-CA 3.15Å; D635-T637 WeakPolarHBondContact OD1-CB 3.5Å; D635-T637 PolarHBondContact OD1-N 2.85Å; D635-T637 PolarHBondContact OD1-OG1 3.1Å; D635-T637 PolarHBondContact OD2-OG1 3.48Å; D635-K638 WeakPolarHBondContact O-CE 3.41Å; D635-K638 WeakPolarHBondContact O-CG 3.43Å
636	S	94.4	Very high	94.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	21%	0.214	C	C	.	.			trans	-86.1	-22.7	173.8	-60.1	0	0	0	0	112.6	V597 K638 Y639 L651 R653	V597-S636 PolarHBondContact O-N 3.18Å; S636-K638 VanDerWaalsContact C-N 3.26Å; S636-K638 PolarHBondContact O-N 2.93Å; S636-Y639 WeakPolarHBondContact O-CD2 3.46Å; S636-Y639 PolarHBondContact O-N 3.24Å; S636-Y639 VanDerWaalsContact O-N 3.12Å; S636-L651 WeakPolarHBondContact CB-O 3.44Å; S636-L651 WeakPolarHBondContact O-CD2 3.33Å; S636-R653 PolarHBondContact OG-N 3.22Å
637	T	93.8	Very high	94	Very high	46 Å²	46	45 Å²	45	28%	0.282	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.3	-172.4	66.9	0	0	0	0	112.5	V597 V604 D635 Y639 A640	V597-T637 HydrophobicContact CG1-CG2 3.95Å; V604-T637 HydrophobicContact CG1-CG2 4.48Å; D635-T637 WeakPolarHBondContact OD1-CB 3.5Å; D635-T637 PolarHBondContact OD1-N 2.85Å; D635-T637 PolarHBondContact OD1-OG1 3.1Å; D635-T637 PolarHBondContact OD2-OG1 3.48Å; T637-Y639 PolarHBondContact O-N 3.35Å; T637-Y639 VanDerWaalsContact O-N 3.09Å; T637-A640 WeakPolarHBondContact O-CB 3.45Å; T637-A640 PolarHBondContact O-N 3.38Å; T637-A640 VanDerWaalsContact O-N 3.13Å
638	K	92.3	Very high	94	Very high	80 Å²	80	42.1 Å²	42.1	35%	0.348	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.5	174.9	70.7	179.4	-173.7	163.5	0	114.3	D635 S636 A640 Q642	D635-K638 WeakPolarHBondContact O-CE 3.41Å; D635-K638 WeakPolarHBondContact O-CG 3.43Å; S636-K638 VanDerWaalsContact C-N 3.26Å; S636-K638 PolarHBondContact O-N 2.93Å; K638-A640 VanDerWaalsContact C-N 3.26Å; K638-A640 PolarHBondContact O-N 2.93Å; K638-Q642 WeakPolarHBondContact O-CG 3.37Å
639	Y	93.1	Very high	93.9	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-76.6	-12.7	-178.1	-65.8	-70.7	0	0	0	113.2	H540 S636 T637 E641 Q642 Y643 R653 M830	H540-Y639 AromaticContact CE1-CE1 3.55Å; S636-Y639 WeakPolarHBondContact O-CD2 3.46Å; S636-Y639 PolarHBondContact O-N 3.24Å; S636-Y639 VanDerWaalsContact O-N 3.12Å; T637-Y639 PolarHBondContact O-N 3.35Å; T637-Y639 VanDerWaalsContact O-N 3.09Å; Y639-E641 VanDerWaalsContact C-N 3.32Å; Y639-E641 PolarHBondContact O-N 2.85Å; Y639-Q642 HydrophobicContact CD1-CB 4.46Å; Y639-Q642 PolarHBondContact O-N 2.85Å; Y639-Y643 HydrophobicContact CD1-CE1 4.01Å; Y639-Y643 HydrophobicContact CD1-CE2 4.13Å; Y639-Y643 AromaticContact CD1-CZ 3.77Å; Y639-Y643 HydrophobicContact CG-CE2 4.19Å; Y639-Y643 WeakPolarHBondContact O-CB 3.18Å; Y639-Y643 PolarHBondContact O-N 2.82Å; Y639-R653 VanDerWaalsContact CD2-CD 3.48Å; Y639-R653 PolarHBondContact OH-NH1 2.74Å; Y639-R653 VanDerWaalsContact OH-NH1 3.15Å; Y639-M830 HydrophobicContact CE1-CE 4.43Å
640	A	94.6	Very high	93.9	Very high	24 Å²	24	45.9 Å²	45.9	20%	0.198	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-45.7	176.1	0	0	0	0	0	111.1	T637 K638 G644 I645 L651	T637-A640 WeakPolarHBondContact O-CB 3.45Å; T637-A640 PolarHBondContact O-N 3.38Å; T637-A640 VanDerWaalsContact O-N 3.13Å; K638-A640 VanDerWaalsContact C-N 3.26Å; K638-A640 PolarHBondContact O-N 2.93Å; A640-G644 CarbonylContact O-C 3.53Å; A640-G644 WeakPolarHBondContact O-CA 3.39Å; A640-G644 PolarHBondContact O-N 2.87Å; A640-I645 PolarHBondContact O-N 2.85Å; A640-L651 HydrophobicContact CB-CD2 3.8Å; A640-L651 VanDerWaalsContact N-CD2 3.3Å
641	E	94.3	Very high	93.9	Very high	159 Å²	159	46 Å²	46	74%	0.743	24%	0.236	S	C	*	.	H	α-helix	trans	-75.3	-45.5	176.4	-172	176.2	-171.9	0	0	111.5	Y639 Y643 G644	Y639-E641 VanDerWaalsContact C-N 3.32Å; Y639-E641 PolarHBondContact O-N 2.85Å; E641-Y643 VanDerWaalsContact C-N 3.33Å; E641-Y643 PolarHBondContact O-N 3.28Å; E641-G644 PolarHBondContact O-N 3.48Å
642	Q	92.4	Very high	93.9	Very high	74 Å²	74	46.6 Å²	46.6	35%	0.346	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-38	-175.9	-65.1	-176.4	-22.6	0	0	113.3	K638 Y639 M830	K638-Q642 WeakPolarHBondContact O-CG 3.37Å; Y639-Q642 HydrophobicContact CD1-CB 4.46Å; Y639-Q642 PolarHBondContact O-N 2.85Å; Q642-M830 HydrophobicContact CB-SD 4.1Å
643	Y	95.2	Very high	93.9	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.008	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.5	176.2	-59.7	-21	0	0	0	113.1	H540 A543 M544 I547 K551 Y560 Y639 E641 I645 M830	H540-Y643 AromaticContact ND1-CE1 3.69Å; H540-Y643 AromaticContact ND1-CZ 3.64Å; H540-Y643 PolarHBondContact ND1-OH 3.14Å; A543-Y643 HydrophobicContact CB-CE2 4.07Å; M544-Y643 HydrophobicContact CG-CD1 4.21Å; M544-Y643 HydrophobicContact CG-CE1 4.44Å; M544-Y643 HydrophobicContact SD-CD1 3.44Å; M544-Y643 WeakPolarHBondContact SD-CD1 3.35Å; M544-Y643 HydrophobicContact SD-CE1 4.22Å; M544-Y643 HydrophobicContact SD-CG 3.87Å; I547-Y643 HydrophobicContact CD1-CD2 4.07Å; I547-Y643 HydrophobicContact CD1-CG 4.18Å; K551-Y643 PolarHBondContact NZ-O 2.84Å; Y560-Y643 AromaticContact CE1-CE2 3.98Å; Y560-Y643 HydrophobicContact CE1-CE2 3.98Å; Y560-Y643 HydrophobicContact CE2-CE2 4.46Å; Y560-Y643 AromaticContact CZ-CE2 3.93Å; Y639-Y643 HydrophobicContact CD1-CE1 4.01Å; Y639-Y643 HydrophobicContact CD1-CE2 4.13Å; Y639-Y643 AromaticContact CD1-CZ 3.77Å; Y639-Y643 HydrophobicContact CG-CE2 4.19Å; Y639-Y643 WeakPolarHBondContact O-CB 3.18Å; Y639-Y643 PolarHBondContact O-N 2.82Å; E641-Y643 VanDerWaalsContact C-N 3.33Å; E641-Y643 PolarHBondContact O-N 3.28Å; Y643-I645 HydrophobicContact CD2-CD1 4.07Å; Y643-M830 HydrophobicContact CD1-SD 4.3Å; Y643-M830 HydrophobicContact CE1-CE 3.99Å; Y643-M830 HydrophobicContact CE1-CG 4.49Å; Y643-M830 HydrophobicContact CE1-SD 4.13Å
644	G	95.1	Very high	94.4	Very high	23 Å²	23	44.9 Å²	44.9	24%	0.237	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	47.9	-175.5	0	0	0	0	0	113.1	K551 A640 E641	K551-G644 WeakPolarHBondContact CE-O 3.43Å; K551-G644 PolarHBondContact NZ-O 2.79Å; A640-G644 CarbonylContact O-C 3.53Å; A640-G644 WeakPolarHBondContact O-CA 3.39Å; A640-G644 PolarHBondContact O-N 2.87Å; E641-G644 PolarHBondContact O-N 3.48Å
645	I	96.3	Very high	94.8	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.216	C	C	.	.			trans	-124.8	40.9	179.8	59.2	177.7	0	0	0	111.1	I547 V557 Y560 A640 Y643 T647 A648 L651	I547-I645 HydrophobicContact CD1-CD1 4.16Å; I547-I645 HydrophobicContact CD1-CG2 4.02Å; I547-I645 HydrophobicContact CG1-CG2 4.29Å; I547-I645 HydrophobicContact CG2-CG2 3.69Å; V557-I645 HydrophobicContact CB-CB 4.34Å; V557-I645 HydrophobicContact CB-CG2 3.78Å; V557-I645 HydrophobicContact CG1-CB 4.36Å; V557-I645 HydrophobicContact CG1-CG2 3.99Å; V557-I645 HydrophobicContact CG2-CG2 4.06Å; Y560-I645 HydrophobicContact CG-CD1 4.39Å; A640-I645 PolarHBondContact O-N 2.85Å; Y643-I645 HydrophobicContact CD2-CD1 4.07Å; I645-T647 PolarHBondContact O-N 3.32Å; I645-A648 HydrophobicContact CB-CB 4.38Å; I645-A648 VanDerWaalsContact O-CB 3.25Å; I645-A648 WeakPolarHBondContact O-CB 3.29Å; I645-A648 PolarHBondContact O-N 3.43Å; I645-L651 HydrophobicContact CD1-CD1 3.79Å
646	Q	95.1	Very high	95	Very high	126 Å²	126	37.8 Å²	37.8	59%	0.589	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.8	-177.6	-58.6	88.5	-21.5	0	0	113.7	A648	Q646-A648 VanDerWaalsContact C-N 3.33Å
647	T	92	Very high	95.1	Very high	100 Å²	100	38.7 Å²	38.7	61%	0.613	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.3	175.4	53.7	0	0	0	0	113.5	T556 V557 I645 H649	T556-T647 WeakPolarHBondContact CG2-OG1 3.47Å; V557-T647 PolarHBondContact O-OG1 3.13Å; I645-T647 PolarHBondContact O-N 3.32Å; T647-H649 PolarHBondContact O-N 2.94Å
648	A	96.3	Very high	95.3	Very high	7 Å²	7	37 Å²	37	6%	0.058	19%	0.192	C	C	.	.			trans	-66.4	130	-179.2	0	0	0	0	0	110.2	E558 L599 I645 Q646	E558-A648 CarbonylContact O-C 3.56Å; E558-A648 WeakPolarHBondContact O-CA 3.49Å; E558-A648 WeakPolarHBondContact O-CB 3.47Å; L599-A648 WeakPolarHBondContact CD2-O 3.46Å; I645-A648 HydrophobicContact CB-CB 4.38Å; I645-A648 VanDerWaalsContact O-CB 3.25Å; I645-A648 WeakPolarHBondContact O-CB 3.29Å; I645-A648 PolarHBondContact O-N 3.43Å; Q646-A648 VanDerWaalsContact C-N 3.33Å
649	H	96.3	Very high	95.5	Very high	72 Å²	72	36.6 Å²	36.6	33%	0.333	19%	0.19	S	C	.	.	S	Bend	trans	-83.3	-16.1	176.2	61.1	72.7	0	0	0	112.2	E558 L599 R600 D601 G602 T647	E558-H649 PolarHBondContact O-CD2 2.75Å; E558-H649 PolarHBondContact O-N 3.09Å; E558-H649 PolarHBondContact O-NE2 3.46Å; L599-H649 WeakPolarHBondContact CD2-O 3.49Å; L599-H649 WeakPolarHBondContact CG-O 3.43Å; R600-H649 CarbonylContact C-O 3.59Å; D601-H649 PolarHBondContact N-O 2.68Å; G602-H649 PolarHBondContact N-O 3.26Å; T647-H649 PolarHBondContact O-N 2.94Å
650	T	97	Very high	95.6	Very high	21 Å²	21	37 Å²	37	13%	0.129	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126	177	-64.1	0	0	0	0	110	S559 Y560 L599 D601	S559-T650 CarbonylContact C-O 3.53Å; S559-T650 WeakPolarHBondContact CA-O 3.39Å; Y560-T650 PolarHBondContact N-O 3.23Å; L599-T650 WeakPolarHBondContact O-CA 3.06Å; D601-T650 PolarHBondContact N-OG1 3.44Å; D601-T650 VanDerWaalsContact N-OG1 3.08Å; D601-T650 PolarHBondContact OD1-OG1 3.12Å
651	L	97.1	Very high	95.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	100.6	179.8	-175.3	65.8	0	0	0	109.4	Y560 F598 L599 S636 A640 I645	Y560-L651 HydrophobicContact CD1-CD1 3.65Å; Y560-L651 HydrophobicContact CG-CD1 4.11Å; Y560-L651 WeakPolarHBondContact O-CA 3.38Å; F598-L651 WeakPolarHBondContact CB-O 3.21Å; L599-L651 HydrophobicContact CB-CB 3.97Å; L599-L651 PolarHBondContact N-O 3.1Å; L599-L651 PolarHBondContact O-N 3.42Å; S636-L651 WeakPolarHBondContact CB-O 3.44Å; S636-L651 WeakPolarHBondContact O-CD2 3.33Å; A640-L651 HydrophobicContact CB-CD2 3.8Å; A640-L651 VanDerWaalsContact N-CD2 3.3Å; I645-L651 HydrophobicContact CD1-CD1 3.79Å
652	I	96	Very high	95.7	Very high	22 Å²	22	29 Å²	29	11%	0.113	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.7	-177.8	-172.4	170.2	0	0	0	111.1	Y560 S561 S562 F563 F598 P632	Y560-I652 PolarHBondContact O-N 3.33Å; S561-I652 CarbonylContact C-O 3.58Å; S561-I652 WeakPolarHBondContact CA-O 3.09Å; S561-I652 WeakPolarHBondContact OG-CG2 3.35Å; S562-I652 PolarHBondContact N-O 3.22Å; F563-I652 HydrophobicContact CE2-CD1 4.42Å; F563-I652 HydrophobicContact CE2-CG1 4.47Å; F563-I652 HydrophobicContact CE2-CG2 4.28Å; F563-I652 HydrophobicContact CZ-CD1 4.02Å; F563-I652 HydrophobicContact CZ-CG1 4.31Å; F598-I652 HydrophobicContact CB-CB 4.3Å; F598-I652 HydrophobicContact CB-CG1 4.18Å; F598-I652 HydrophobicContact CD2-CB 4.28Å; F598-I652 HydrophobicContact CD2-CD1 3.84Å; F598-I652 HydrophobicContact CD2-CG1 4.12Å; F598-I652 HydrophobicContact CE2-CD1 3.99Å; F598-I652 HydrophobicContact CG-CD1 4.16Å; F598-I652 HydrophobicContact CG-CG1 4.13Å; F598-I652 HydrophobicContact CZ-CD1 4.45Å; P632-I652 HydrophobicContact CB-CD1 4.2Å; P632-I652 HydrophobicContact CB-CG1 4.32Å
653	R	95.4	Very high	95.9	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.5	163.4	-72.4	175.5	59.4	145.1	2	109.7	Y509 D535 D539 H540 Y560 S562 P632 N633 S636 Y639	Y509-R653 PolarHBondContact OH-NH2 2.89Å; D535-R653 IonicContact OD1-CZ 3.83Å; D535-R653 IonicContact OD1-NH2 3.93Å; D535-R653 PolarHBondContact OD1-NH2 3.39Å; D535-R653 IonicContact OD2-NH2 3.84Å; D539-R653 IonicContact OD2-CZ 3.98Å; D539-R653 IonicContact OD2-NH1 3.12Å; D539-R653 PolarHBondContact OD2-NH1 2.85Å; D539-R653 IonicContact OD2-NH2 3.76Å; D539-R653 PolarHBondContact OD2-NH2 3.37Å; H540-R653 PolarHBondContact CE1-NH1 3.37Å; Y560-R653 HydrophobicContact CE1-CG 4.2Å; S562-R653 CarbonylContact O-C 3.6Å; S562-R653 WeakPolarHBondContact O-CA 3.44Å; P632-R653 CarbonylContact C-O 3.52Å; P632-R653 WeakPolarHBondContact CA-O 3.15Å; N633-R653 PolarHBondContact N-O 3.12Å; S636-R653 PolarHBondContact OG-N 3.22Å; Y639-R653 VanDerWaalsContact CD2-CD 3.48Å; Y639-R653 PolarHBondContact OH-NH1 2.74Å; Y639-R653 VanDerWaalsContact OH-NH1 3.15Å
654	G	95.3	Very high	95.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	169.9	-178.6	0	0	0	0	0	114.6	S562 F563 C564 F631	S562-G654 PolarHBondContact O-N 2.95Å; F563-G654 WeakPolarHBondContact CA-O 3.47Å; C564-G654 PolarHBondContact N-O 3.43Å; C564-G654 VanDerWaalsContact N-O 3.13Å; F631-G654 CarbonylContact O-C 3.43Å; F631-G654 WeakPolarHBondContact O-CA 3.44Å
655	T	95.9	Very high	95.9	Very high	20 Å²	20	28.1 Å²	28.1	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.9	177.3	-66.2	0	0	0	0	109.7	C564 G630 F631 N633 R657	C564-T655 CarbonylContact O-C 3.51Å; C564-T655 WeakPolarHBondContact O-CA 3.45Å; G630-T655 WeakPolarHBondContact CA-O 3.39Å; F631-T655 HydrophobicContact CE1-CG2 4.25Å; F631-T655 HydrophobicContact CE2-CG2 4.25Å; F631-T655 HydrophobicContact CZ-CG2 3.76Å; F631-T655 PolarHBondContact N-O 3.5Å; F631-T655 PolarHBondContact O-N 2.93Å; N633-T655 PolarHBondContact ND2-N 3.09Å; N633-T655 PolarHBondContact ND2-OG1 2.93Å; N633-T655 WeakPolarHBondContact OD1-CB 3.18Å; N633-T655 PolarHBondContact OD1-N 3.09Å; N633-T655 PolarHBondContact OD1-OG1 3.03Å; T655-R657 HydrophobicContact CG2-CG 4.36Å
656	L	97.2	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.7	167.7	-63.8	169.5	0	0	0	111.5	F563 C564 M620 F622 E629 I768	F563-L656 HydrophobicContact CB-CD1 4.07Å; F563-L656 HydrophobicContact CB-CD2 3.8Å; F563-L656 HydrophobicContact CB-CG 3.78Å; F563-L656 HydrophobicContact CD1-CD2 4.06Å; F563-L656 HydrophobicContact CD1-CG 4.49Å; F563-L656 HydrophobicContact CG-CD2 4.26Å; C564-L656 PolarHBondContact O-N 3Å; M620-L656 HydrophobicContact CB-CD2 4.07Å; M620-L656 HydrophobicContact CG-CD2 3.78Å; F622-L656 HydrophobicContact CE1-CD2 4.31Å; F622-L656 HydrophobicContact CE2-CD1 4.47Å; F622-L656 HydrophobicContact CZ-CD1 3.85Å; F622-L656 HydrophobicContact CZ-CD2 3.83Å; E629-L656 WeakPolarHBondContact O-CA 3.21Å; L656-I768 HydrophobicContact CD1-CB 4.23Å; L656-I768 HydrophobicContact CD1-CG2 3.91Å
657	R	97.2	Very high	95.8	Very high	20 Å²	20	22.4 Å²	22.4	8%	0.075	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	166.4	168.9	-68.7	-67.8	-177.6	-91.4	3.8	109.9	L628 E629 F631 T655 F661	L628-R657 CarbonylContact C-O 3.58Å; L628-R657 WeakPolarHBondContact CA-O 3.41Å; E629-R657 HydrophobicContact CG-CB 4.09Å; E629-R657 PolarHBondContact N-O 3.17Å; E629-R657 PolarHBondContact O-N 3.02Å; E629-R657 VanDerWaalsContact O-O 3.08Å; F631-R657 HydrophobicContact CE1-CG 3.97Å; T655-R657 HydrophobicContact CG2-CG 4.36Å; R657-F661 HydrophobicContact CB-CB 3.72Å; R657-F661 HydrophobicContact CB-CD1 4.03Å; R657-F661 HydrophobicContact CB-CG 3.88Å; R657-F661 HydrophobicContact CG-CB 4.15Å; R657-F661 HydrophobicContact CG-CD1 3.54Å; R657-F661 HydrophobicContact CG-CD2 4.25Å; R657-F661 HydrophobicContact CG-CE1 3.93Å; R657-F661 HydrophobicContact CG-CG 3.72Å; R657-F661 HydrophobicContact CG-CZ 4.43Å
658	F	97.8	Very high	96	Very high	10 Å²	10	17.7 Å²	17.7	4%	0.044	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	145.9	167.2	-72.5	-54.7	0	0	0	110.5	L567 P568 P570 R578 F626 S627 L628 G660 F661	L567-F658 HydrophobicContact CB-CD2 4.49Å; L567-F658 HydrophobicContact CB-CE2 3.95Å; L567-F658 HydrophobicContact CB-CZ 4.42Å; L567-F658 HydrophobicContact CD1-CD2 4.43Å; L567-F658 HydrophobicContact CD1-CE1 4.29Å; L567-F658 HydrophobicContact CD1-CE2 4.17Å; L567-F658 HydrophobicContact CD1-CZ 4.09Å; P568-F658 HydrophobicContact CG-CE2 4.27Å; P568-F658 WeakPolarHBondContact O-CE2 3.45Å; P570-F658 HydrophobicContact CG-CZ 4.28Å; R578-F658 HydrophobicContact CB-CB 3.68Å; R578-F658 HydrophobicContact CB-CD2 4.26Å; R578-F658 HydrophobicContact CB-CG 4.42Å; R578-F658 HydrophobicContact CG-CB 4.5Å; R578-F658 WeakPolarHBondContact O-CD2 3.32Å; F626-F658 HydrophobicContact CD1-CE1 4.18Å; S627-F658 CarbonylContact O-C 3.43Å; S627-F658 WeakPolarHBondContact O-CA 3.19Å; S627-F658 WeakPolarHBondContact O-CD1 3.28Å; L628-F658 HydrophobicContact CD2-CD1 3.79Å; L628-F658 HydrophobicContact CD2-CE1 3.82Å; F658-G660 PolarHBondContact O-N 3.17Å; F658-F661 PolarHBondContact O-N 2.95Å
659	K	96.3	Very high	95.9	Very high	72 Å²	72	18.9 Å²	18.9	31%	0.313	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	126.2	-177.6	-72.7	-174.4	-171.3	172.4	0	111	R578 D621 S627 L628 E629	R578-K659 WeakPolarHBondContact CD-O 3.49Å; R578-K659 PolarHBondContact NE-O 3.06Å; R578-K659 PolarHBondContact NH1-O 3.39Å; D621-K659 IonicContact OD1-NZ 2.67Å; D621-K659 PolarHBondContact OD1-NZ 2.66Å; S627-K659 PolarHBondContact O-N 3.38Å; S627-K659 WeakPolarHBondContact OG-CD 3.08Å; L628-K659 WeakPolarHBondContact O-CE 3.36Å; L628-K659 WeakPolarHBondContact O-CG 3.42Å; E629-K659 HydrophobicContact CB-CG 4.23Å; E629-K659 VanDerWaalsContact OE2-CA 3.27Å; E629-K659 WeakPolarHBondContact OE2-CA 3.31Å
660	G	94.6	Very high	95.7	Very high	12 Å²	12	19.8 Å²	19.8	12%	0.124	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.1	-12.2	179.8	0	0	0	0	0	115.2	E629 F658 K663 A664 F723	E629-G660 PolarHBondContact OE2-N 2.61Å; F658-G660 PolarHBondContact O-N 3.17Å; G660-K663 PolarHBondContact O-N 3.43Å; G660-A664 PolarHBondContact O-N 2.78Å; G660-A664 VanDerWaalsContact O-N 3.11Å; G660-F723 WeakPolarHBondContact O-CE1 3.44Å
661	F	96.7	Very high	95.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-53	175.2	175.9	-86	0	0	0	111.9	L577 Y579 V588 E629 F631 R657 F658 K663 A664 M665	L577-F661 HydrophobicContact CB-CD2 4.42Å; L577-F661 WeakPolarHBondContact O-CD2 3.11Å; Y579-F661 HydrophobicContact CD1-CE2 4.38Å; Y579-F661 HydrophobicContact CD2-CD2 4.47Å; Y579-F661 HydrophobicContact CD2-CE2 4.36Å; Y579-F661 HydrophobicContact CG-CD2 4.3Å; Y579-F661 HydrophobicContact CG-CE2 4.02Å; V588-F661 HydrophobicContact CG1-CZ 4.28Å; E629-F661 PolarHBondContact OE1-N 3.28Å; F631-F661 HydrophobicContact CE1-CD1 4.5Å; R657-F661 HydrophobicContact CB-CB 3.72Å; R657-F661 HydrophobicContact CB-CD1 4.03Å; R657-F661 HydrophobicContact CB-CG 3.88Å; R657-F661 HydrophobicContact CG-CB 4.15Å; R657-F661 HydrophobicContact CG-CD1 3.54Å; R657-F661 HydrophobicContact CG-CD2 4.25Å; R657-F661 HydrophobicContact CG-CE1 3.93Å; R657-F661 HydrophobicContact CG-CG 3.72Å; R657-F661 HydrophobicContact CG-CZ 4.43Å; F658-F661 PolarHBondContact O-N 2.95Å; F661-K663 VanDerWaalsContact C-N 3.27Å; F661-K663 PolarHBondContact O-N 3.36Å; F661-A664 WeakPolarHBondContact O-CB 3.17Å; F661-A664 PolarHBondContact O-N 2.77Å; F661-A664 VanDerWaalsContact O-N 3.14Å; F661-M665 HydrophobicContact CD1-CG 3.97Å; F661-M665 HydrophobicContact CD2-CE 4.36Å; F661-M665 HydrophobicContact CE1-CE 4.39Å; F661-M665 HydrophobicContact CE1-CG 3.57Å; F661-M665 HydrophobicContact CE2-CE 3.65Å; F661-M665 HydrophobicContact CE2-CG 4.41Å; F661-M665 HydrophobicContact CZ-CE 3.67Å; F661-M665 HydrophobicContact CZ-CG 3.82Å; F661-M665 HydrophobicContact CZ-SD 4.26Å; F661-M665 WeakPolarHBondContact O-CG 3.14Å; F661-M665 PolarHBondContact O-N 2.83Å
662	S	95.3	Very high	95.4	Very high	13 Å²	13	20.3 Å²	20.3	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-56.8	-41.9	178.3	52.9	0	0	0	0	111.6	E629 A664 M665 G666	E629-S662 WeakPolarHBondContact OE1-CB 3.24Å; E629-S662 PolarHBondContact OE1-N 3.22Å; E629-S662 PolarHBondContact OE1-OG 2.83Å; E629-S662 PolarHBondContact OE2-OG 2.73Å; S662-A664 PolarHBondContact O-N 3.35Å; S662-M665 PolarHBondContact O-N 3.29Å; S662-G666 PolarHBondContact O-N 3.03Å
663	K	95.3	Very high	95.4	Very high	80 Å²	80	19.2 Å²	19.2	35%	0.348	10%	0.103	S	C	.	.	H	α-helix	trans	-61.5	-42.9	177	-170.2	176.3	-179.2	-176.6	0	112.4	G660 F661 D721 F723 R724	G660-K663 PolarHBondContact O-N 3.43Å; F661-K663 VanDerWaalsContact C-N 3.27Å; F661-K663 PolarHBondContact O-N 3.36Å; K663-D721 WeakPolarHBondContact CE-OD1 3.39Å; K663-D721 WeakPolarHBondContact CE-OD2 3.09Å; K663-D721 IonicContact NZ-OD1 3.1Å; K663-D721 PolarHBondContact NZ-OD1 3.46Å; K663-D721 IonicContact NZ-OD2 3.56Å; K663-D721 PolarHBondContact NZ-OD2 2.92Å; K663-F723 HydrophobicContact CB-CD1 4.27Å; K663-F723 HydrophobicContact CB-CE1 4.05Å; K663-F723 HydrophobicContact CD-CD1 3.66Å; K663-F723 HydrophobicContact CD-CE1 4.22Å; K663-F723 HydrophobicContact CD-CG 4.33Å; K663-F723 HydrophobicContact CG-CD1 3.82Å; K663-F723 HydrophobicContact CG-CE1 4.13Å; K663-R724 PolarHBondContact O-NE 3.25Å
664	A	95.9	Very high	95.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-46.4	175.9	0	0	0	0	0	111.6	L577 G660 F661 S662 G666 G667 F668 F723 T727	L577-A664 HydrophobicContact CD2-CB 3.42Å; L577-A664 VanDerWaalsContact CD2-CB 3.42Å; G660-A664 PolarHBondContact O-N 2.78Å; G660-A664 VanDerWaalsContact O-N 3.11Å; F661-A664 WeakPolarHBondContact O-CB 3.17Å; F661-A664 PolarHBondContact O-N 2.77Å; F661-A664 VanDerWaalsContact O-N 3.14Å; S662-A664 PolarHBondContact O-N 3.35Å; A664-G666 VanDerWaalsContact C-N 3.28Å; A664-G666 PolarHBondContact O-N 3.28Å; A664-G667 WeakPolarHBondContact O-CA 3.3Å; A664-G667 PolarHBondContact O-N 2.81Å; A664-F668 PolarHBondContact O-N 3.42Å; A664-F723 HydrophobicContact CB-CE1 3.95Å; A664-F723 HydrophobicContact CB-CZ 4.41Å; A664-T727 HydrophobicContact CB-CG2 4.11Å
665	M	95.4	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.5	-38.7	176.6	-70.1	-63.5	151.2	0	0	112.2	L577 L589 T592 M614 F661 S662 G667 F668 V669	L577-M665 HydrophobicContact CD1-CE 3.69Å; L577-M665 HydrophobicContact CD2-CE 4.02Å; L577-M665 HydrophobicContact CG-CE 4.46Å; L589-M665 HydrophobicContact CD2-CE 3.87Å; L589-M665 HydrophobicContact CD2-SD 3.78Å; T592-M665 HydrophobicContact CG2-CB 4.2Å; T592-M665 HydrophobicContact CG2-CG 3.98Å; T592-M665 HydrophobicContact CG2-SD 4.11Å; M614-M665 HydrophobicContact CG-CB 4.02Å; M614-M665 HydrophobicContact SD-CB 3.92Å; M614-M665 HydrophobicContact SD-CG 4.47Å; F661-M665 HydrophobicContact CD1-CG 3.97Å; F661-M665 HydrophobicContact CD2-CE 4.36Å; F661-M665 HydrophobicContact CE1-CE 4.39Å; F661-M665 HydrophobicContact CE1-CG 3.57Å; F661-M665 HydrophobicContact CE2-CE 3.65Å; F661-M665 HydrophobicContact CE2-CG 4.41Å; F661-M665 HydrophobicContact CZ-CE 3.67Å; F661-M665 HydrophobicContact CZ-CG 3.82Å; F661-M665 HydrophobicContact CZ-SD 4.26Å; F661-M665 WeakPolarHBondContact O-CG 3.14Å; F661-M665 PolarHBondContact O-N 2.83Å; S662-M665 PolarHBondContact O-N 3.29Å; M665-G667 PolarHBondContact O-N 3.05Å; M665-F668 HydrophobicContact CE-CD2 4.12Å; M665-F668 HydrophobicContact CE-CE2 3.83Å; M665-F668 PolarHBondContact O-N 3.47Å; M665-F668 HydrophobicContact SD-CD2 3.65Å; M665-F668 HydrophobicContact SD-CE2 3.99Å; M665-V669 WeakPolarHBondContact O-CG2 3.32Å; M665-V669 PolarHBondContact O-N 3.04Å
666	G	94.2	Very high	94.9	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	13%	0.129	C	C	.	.	H	α-helix	trans	-58.3	-28.3	172.9	0	0	0	0	0	113.6	S662 A664 K670	S662-G666 PolarHBondContact O-N 3.03Å; A664-G666 VanDerWaalsContact C-N 3.28Å; A664-G666 PolarHBondContact O-N 3.28Å; G666-K670 WeakPolarHBondContact O-CB 3.33Å; G666-K670 WeakPolarHBondContact O-CD 3.33Å; G666-K670 VanDerWaalsContact O-CG 3.25Å; G666-K670 WeakPolarHBondContact O-CG 3.16Å; G666-K670 PolarHBondContact O-N 3.25Å; G666-K670 VanDerWaalsContact O-N 3.14Å
667	G	94.7	Very high	94.6	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-68.2	-45	171	0	0	0	0	0	112.6	A664 M665 V669 K670 L671	A664-G667 WeakPolarHBondContact O-CA 3.3Å; A664-G667 PolarHBondContact O-N 2.81Å; M665-G667 PolarHBondContact O-N 3.05Å; G667-V669 VanDerWaalsContact C-N 3.34Å; G667-V669 PolarHBondContact O-N 2.98Å; G667-K670 PolarHBondContact O-N 2.81Å; G667-L671 WeakPolarHBondContact O-CG 3.47Å; G667-L671 PolarHBondContact O-N 2.96Å; G667-L671 VanDerWaalsContact O-N 3.16Å
668	F	96.1	Very high	94.1	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-39.4	177.1	-57.8	-23	0	0	0	112.3	L577 A664 M665 L671 G672 L673 I674 T727 L728 L731 M733 L753	L577-F668 HydrophobicContact CD1-CE2 4.45Å; L577-F668 HydrophobicContact CD2-CE2 4.13Å; L577-F668 HydrophobicContact CD2-CZ 4.16Å; A664-F668 PolarHBondContact O-N 3.42Å; M665-F668 HydrophobicContact CE-CD2 4.12Å; M665-F668 HydrophobicContact CE-CE2 3.83Å; M665-F668 PolarHBondContact O-N 3.47Å; M665-F668 HydrophobicContact SD-CD2 3.65Å; M665-F668 HydrophobicContact SD-CE2 3.99Å; F668-L671 PolarHBondContact O-N 3.35Å; F668-G672 PolarHBondContact O-N 3.05Å; F668-L673 HydrophobicContact CB-CB 4.24Å; F668-L673 HydrophobicContact CB-CD1 4.39Å; F668-L673 HydrophobicContact CD1-CD1 4.05Å; F668-L673 HydrophobicContact CG-CD1 4.49Å; F668-L673 WeakPolarHBondContact O-CB 3.38Å; F668-L673 PolarHBondContact O-N 3.44Å; F668-I674 HydrophobicContact CB-CD1 3.94Å; F668-I674 HydrophobicContact CB-CG1 4.19Å; F668-T727 HydrophobicContact CE1-CG2 4.41Å; F668-T727 HydrophobicContact CZ-CG2 4.27Å; F668-L728 HydrophobicContact CD1-CD2 4.06Å; F668-L728 HydrophobicContact CE1-CD2 3.84Å; F668-L731 HydrophobicContact CE1-CD1 4.06Å; F668-L731 HydrophobicContact CZ-CD1 3.55Å; F668-M733 HydrophobicContact CE1-SD 4.09Å; F668-L753 HydrophobicContact CE2-CD1 4.36Å
669	V	93.6	Very high	93.5	Very high	31 Å²	31	32.1 Å²	32.1	19%	0.188	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-48.5	174.3	171.7	0	0	0	0	110.8	M593 M665 G667 L671 G672 I674	M593-V669 HydrophobicContact SD-CB 4.43Å; M593-V669 HydrophobicContact SD-CG1 3.95Å; M593-V669 HydrophobicContact SD-CG2 3.74Å; M665-V669 WeakPolarHBondContact O-CG2 3.32Å; M665-V669 PolarHBondContact O-N 3.04Å; G667-V669 VanDerWaalsContact C-N 3.34Å; G667-V669 PolarHBondContact O-N 2.98Å; V669-L671 PolarHBondContact O-N 3.3Å; V669-G672 PolarHBondContact O-N 2.89Å; V669-I674 HydrophobicContact CG2-CG1 4.09Å
670	K	93.1	Very high	92.8	Very high	92 Å²	92	32.8 Å²	32.8	40%	0.4	19%	0.193	S	C	.	.	H	α-helix	trans	-61.7	-27.9	179.6	-77.6	169.8	176.5	-83.1	0	114	G666 G667 G672 Q717	G666-K670 WeakPolarHBondContact O-CB 3.33Å; G666-K670 WeakPolarHBondContact O-CD 3.33Å; G666-K670 VanDerWaalsContact O-CG 3.25Å; G666-K670 WeakPolarHBondContact O-CG 3.16Å; G666-K670 PolarHBondContact O-N 3.25Å; G666-K670 VanDerWaalsContact O-N 3.14Å; G667-K670 PolarHBondContact O-N 2.81Å; K670-G672 VanDerWaalsContact C-N 3.33Å; K670-Q717 PolarHBondContact O-NE2 3.09Å
671	L	94.6	Very high	92.1	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.3	175.8	-69.1	171.7	0	0	0	113.4	G667 F668 V669 L673 L695 M699 V714 Q717 V718 L728	G667-L671 WeakPolarHBondContact O-CG 3.47Å; G667-L671 PolarHBondContact O-N 2.96Å; G667-L671 VanDerWaalsContact O-N 3.16Å; F668-L671 PolarHBondContact O-N 3.35Å; V669-L671 PolarHBondContact O-N 3.3Å; L671-L673 HydrophobicContact CB-CD1 4.15Å; L671-L673 HydrophobicContact CB-CG 3.89Å; L671-L673 HydrophobicContact CD1-CD1 4.23Å; L671-L673 PolarHBondContact O-N 3.13Å; L671-L695 HydrophobicContact CB-CD2 4.32Å; L671-L695 HydrophobicContact CD1-CD2 4.19Å; L671-L695 HydrophobicContact CD2-CD2 4.44Å; L671-M699 HydrophobicContact CD2-SD 4.03Å; L671-V714 HydrophobicContact CD2-CG1 4.35Å; L671-Q717 HydrophobicContact CD2-CB 4.14Å; L671-Q717 HydrophobicContact CD2-CG 3.74Å; L671-V718 HydrophobicContact CD1-CG1 3.86Å; L671-V718 HydrophobicContact CD2-CG1 4.15Å; L671-V718 HydrophobicContact CG-CG1 3.88Å; L671-L728 HydrophobicContact CD1-CD1 3.56Å; L671-L728 HydrophobicContact CD1-CD2 3.84Å; L671-L728 HydrophobicContact CD1-CG 4.36Å
672	G	93.4	Very high	91.3	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	27.9	-177.7	0	0	0	0	0	113.2	F668 V669 K670 Q698	F668-G672 PolarHBondContact O-N 3.05Å; V669-G672 PolarHBondContact O-N 2.89Å; K670-G672 VanDerWaalsContact C-N 3.33Å; G672-Q698 PolarHBondContact O-NE2 2.88Å
673	L	94.6	Very high	90.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.			trans	-81.1	-22	179.7	-66.2	177.1	0	0	0	112.9	F668 L671 N675 W691 L695 M733 I745 L749	F668-L673 HydrophobicContact CB-CB 4.24Å; F668-L673 HydrophobicContact CB-CD1 4.39Å; F668-L673 HydrophobicContact CD1-CD1 4.05Å; F668-L673 HydrophobicContact CG-CD1 4.49Å; F668-L673 WeakPolarHBondContact O-CB 3.38Å; F668-L673 PolarHBondContact O-N 3.44Å; L671-L673 HydrophobicContact CB-CD1 4.15Å; L671-L673 HydrophobicContact CB-CG 3.89Å; L671-L673 HydrophobicContact CD1-CD1 4.23Å; L671-L673 PolarHBondContact O-N 3.13Å; L673-N675 VanDerWaalsContact C-N 3.25Å; L673-N675 PolarHBondContact O-N 3.03Å; L673-N675 VanDerWaalsContact O-N 3.14Å; L673-W691 HydrophobicContact CD2-CZ3 4.27Å; L673-L695 HydrophobicContact CD1-CD2 4.37Å; L673-L695 HydrophobicContact CD2-CD2 3.86Å; L673-L695 HydrophobicContact CG-CD2 4.34Å; L673-M733 HydrophobicContact CD1-SD 4.47Å; L673-I745 HydrophobicContact CB-CG2 4.49Å; L673-I745 HydrophobicContact CD2-CG2 3.89Å; L673-L749 HydrophobicContact CB-CD2 4.11Å
674	I	93.9	Very high	88.8	Confident	14 Å²	14	39.2 Å²	39.2	7%	0.072	22%	0.224	C	C	.	.	S	Bend	trans	-89.4	66.3	174.4	-41.5	-58.7	0	0	0	109	L589 M593 F668 V669 L746 L749	L589-I674 HydrophobicContact CB-CD1 4.27Å; L589-I674 HydrophobicContact CD2-CD1 4.21Å; M593-I674 HydrophobicContact CB-CG2 4.45Å; M593-I674 HydrophobicContact CG-CB 3.8Å; M593-I674 HydrophobicContact CG-CG2 3.37Å; M593-I674 HydrophobicContact SD-CB 4.34Å; F668-I674 HydrophobicContact CB-CD1 3.94Å; F668-I674 HydrophobicContact CB-CG1 4.19Å; V669-I674 HydrophobicContact CG2-CG1 4.09Å; I674-L746 HydrophobicContact CD1-CD1 4.32Å; I674-L746 HydrophobicContact CG2-CD1 4.1Å; I674-L749 HydrophobicContact CD1-CD2 3.64Å
675	N	91.1	Very high	86.8	Confident	46 Å²	46	44.4 Å²	44.4	25%	0.246	26%	0.258	C	S	.	.			trans	-125.6	125.7	-177.1	-169.7	-15.5	0	0	0	111.7	L673 D677 I745 L746	L673-N675 VanDerWaalsContact C-N 3.25Å; L673-N675 PolarHBondContact O-N 3.03Å; L673-N675 VanDerWaalsContact O-N 3.14Å; N675-D677 WeakPolarHBondContact OD1-CB 3.48Å; N675-D677 PolarHBondContact OD1-N 3.26Å; N675-I745 HydrophobicContact CB-CD1 4.49Å; N675-L746 WeakPolarHBondContact O-CB 3.27Å; N675-L746 PolarHBondContact O-N 3.2Å
676	T	91.4	Very high	84.8	Confident	64 Å²	64	51 Å²	51	39%	0.393	30%	0.298	S	S	.	.			trans	-92.8	-7.5	-179.3	52.5	0	0	0	0	114.1	L590 T744 L746	L590-T676 HydrophobicContact CD1-CG2 3.85Å; T676-T744 WeakPolarHBondContact O-CG2 3.29Å; T676-L746 HydrophobicContact CG2-CD2 3.75Å
677	D	90.9	Very high	83.1	Confident	102 Å²	102	54 Å²	54	55%	0.545	32%	0.318	S	S	.	.	S	Bend	trans	-72.1	142.1	-179.9	-62.4	-26.3	0	0	0	110.4	N675 N679	N675-D677 WeakPolarHBondContact OD1-CB 3.48Å; N675-D677 PolarHBondContact OD1-N 3.26Å; D677-N679 PolarHBondContact O-N 3.16Å
678	P	87.5	Confident	82.3	Confident	92 Å²	92	60 Å²	60	60%	0.597	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-55.9	131.2	173	-25	34	0	0	0	111.1	L683 D743	P678-L683 HydrophobicContact CB-CD1 4.24Å; P678-D743 WeakPolarHBondContact CA-O 3.37Å
679	N	84.2	Confident	82	Confident	11 Å²	11	61 Å²	61	6%	0.059	36%	0.36	C	S	.	.			trans	-104.5	117.6	-179.5	-169.9	-60.6	0	0	0	110.8	D677 V681 L682 L683 D743 I745	D677-N679 PolarHBondContact O-N 3.16Å; N679-V681 PolarHBondContact O-N 2.7Å; N679-V681 VanDerWaalsContact OD1-CB 3.27Å; N679-V681 WeakPolarHBondContact OD1-CB 2.97Å; N679-V681 WeakPolarHBondContact OD1-CG2 3.48Å; N679-V681 PolarHBondContact OD1-N 3.38Å; N679-L682 HydrophobicContact CB-CB 4.32Å; N679-L682 HydrophobicContact CB-CD1 4.02Å; N679-L682 HydrophobicContact CB-CG 4.12Å; N679-L682 PolarHBondContact O-N 2.97Å; N679-L683 WeakPolarHBondContact O-CG 3.46Å; N679-L683 PolarHBondContact O-N 2.76Å; N679-D743 PolarHBondContact N-O 3.32Å; N679-I745 HydrophobicContact CB-CG1 4.11Å; N679-I745 WeakPolarHBondContact ND2-CD1 3.48Å
680	P	81.5	Confident	82	Confident	86 Å²	86	60 Å²	60	56%	0.558	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.3	-179.2	-27.7	34.8	0	0	0	114.4	L682 L683 H684	P680-L682 VanDerWaalsContact C-N 3.32Å; P680-L682 PolarHBondContact O-N 3.29Å; P680-L683 PolarHBondContact O-N 3.21Å; P680-H684 PolarHBondContact O-CD2 3.15Å
681	V	79.9	Confident	82	Confident	40 Å²	40	55.6 Å²	55.6	24%	0.242	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.1	-177.6	-168.5	0	0	0	0	112	N679 I689	N679-V681 PolarHBondContact O-N 2.7Å; N679-V681 VanDerWaalsContact OD1-CB 3.27Å; N679-V681 WeakPolarHBondContact OD1-CB 2.97Å; N679-V681 WeakPolarHBondContact OD1-CG2 3.48Å; N679-V681 PolarHBondContact OD1-N 3.38Å; V681-I689 HydrophobicContact CB-CD1 4.43Å; V681-I689 HydrophobicContact CG1-CB 4.49Å; V681-I689 HydrophobicContact CG1-CD1 3.2Å; V681-I689 HydrophobicContact CG1-CG1 4.37Å
682	L	81.4	Confident	82	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.037	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-19.1	177.2	-60.7	177.2	0	0	0	113.1	N679 P680 H684 I689 L694 V739 H741 A742 I745	N679-L682 HydrophobicContact CB-CB 4.32Å; N679-L682 HydrophobicContact CB-CD1 4.02Å; N679-L682 HydrophobicContact CB-CG 4.12Å; N679-L682 PolarHBondContact O-N 2.97Å; P680-L682 VanDerWaalsContact C-N 3.32Å; P680-L682 PolarHBondContact O-N 3.29Å; L682-H684 VanDerWaalsContact C-N 3.35Å; L682-H684 PolarHBondContact O-N 3.45Å; L682-I689 HydrophobicContact CD2-CG2 3.75Å; L682-L694 HydrophobicContact CD2-CD1 4.46Å; L682-V739 HydrophobicContact CD2-CG1 4.15Å; L682-H741 PolarHBondContact O-CE1 3.2Å; L682-H741 VanDerWaalsContact O-CE1 3.23Å; L682-H741 PolarHBondContact O-ND1 3.01Å; L682-A742 WeakPolarHBondContact CB-O 3.22Å; L682-I745 HydrophobicContact CD1-CG1 4.16Å
683	L	71.8	Confident	81.9	Confident	81 Å²	81	59.1 Å²	59.1	42%	0.424	34%	0.343	S	S	.	.	S	Bend	trans	-77.3	-13	-176	-72.1	171.3	0	0	0	114.5	P678 N679 P680 P685 D743	P678-L683 HydrophobicContact CB-CD1 4.24Å; N679-L683 WeakPolarHBondContact O-CG 3.46Å; N679-L683 PolarHBondContact O-N 2.76Å; P680-L683 PolarHBondContact O-N 3.21Å; L683-P685 VanDerWaalsContact O-CD 3.27Å; L683-P685 WeakPolarHBondContact O-CD 3.36Å; L683-D743 HydrophobicContact CD2-CB 4.31Å
684	H	66.3	Low	81.8	Confident	113 Å²	113	59.1 Å²	59.1	52%	0.523	34%	0.343	S	S	.	.			trans	-87.3	108.5	179.5	-70.9	-64.3	0	0	0	111.3	P680 L682 T686	P680-H684 PolarHBondContact O-CD2 3.15Å; L682-H684 VanDerWaalsContact C-N 3.35Å; L682-H684 PolarHBondContact O-N 3.45Å; H684-T686 PolarHBondContact O-N 3.07Å; H684-T686 VanDerWaalsContact O-N 3.14Å
685	P	54.3	Low	81.8	Confident	111 Å²	111	58.4 Å²	58.4	72%	0.721	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.5	-171.3	-17.8	31.4	0	0	0	114.4	L683	L683-P685 VanDerWaalsContact O-CD 3.27Å; L683-P685 WeakPolarHBondContact O-CD 3.36Å
686	T	52.9	Low	81.9	Confident	139 Å²	139	56.3 Å²	56.3	85%	0.853	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-4.2	-171	52	0	0	0	0	114.2	H684	H684-T686 PolarHBondContact O-N 3.07Å; H684-T686 VanDerWaalsContact O-N 3.14Å
687	S	58.8	Low	81.8	Confident	68 Å²	68	58 Å²	58	48%	0.476	33%	0.332	S	S	.	.			trans	-127.7	108.6	-177.7	49.4	0	0	0	0	110.8	I689	S687-I689 PolarHBondContact O-N 2.97Å
688	T	76.8	Confident	81.8	Confident	129 Å²	129	56.1 Å²	56.1	79%	0.791	32%	0.32	S	S	*	.			trans	-74.6	115.9	172.3	50.7	0	0	0	0	109.7
689	I	90.3	Very high	81.9	Confident	23 Å²	23	53.7 Å²	53.7	12%	0.118	30%	0.301	C	S	.	.			trans	-90.8	144	173.8	-174.2	163	0	0	0	111.1	V681 L682 S687 E693 L694 V739	V681-I689 HydrophobicContact CB-CD1 4.43Å; V681-I689 HydrophobicContact CG1-CB 4.49Å; V681-I689 HydrophobicContact CG1-CD1 3.2Å; V681-I689 HydrophobicContact CG1-CG1 4.37Å; L682-I689 HydrophobicContact CD2-CG2 3.75Å; S687-I689 PolarHBondContact O-N 2.97Å; I689-E693 HydrophobicContact CD1-CB 3.71Å; I689-E693 HydrophobicContact CG1-CB 3.44Å; I689-E693 VanDerWaalsContact CG1-CB 3.44Å; I689-E693 HydrophobicContact CG1-CG 4.49Å; I689-E693 WeakPolarHBondContact CG1-OE2 3.24Å; I689-L694 HydrophobicContact CD1-CB 4.26Å; I689-V739 HydrophobicContact CG2-CB 4.23Å; I689-V739 HydrophobicContact CG2-CG2 4.27Å; I689-V739 PolarHBondContact O-N 3.5Å
690	S	92.9	Very high	82.2	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.063	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-84.6	160.6	173.3	81.9	0	0	0	0	113.6	K692 E693 L694 D736 D737	S690-K692 VanDerWaalsContact C-N 3.3Å; S690-K692 PolarHBondContact O-N 3.38Å; S690-E693 PolarHBondContact N-OE2 2.8Å; S690-E693 PolarHBondContact O-N 2.8Å; S690-E693 WeakPolarHBondContact OG-CG 3.43Å; S690-E693 PolarHBondContact OG-N 2.76Å; S690-L694 PolarHBondContact O-N 2.8Å; S690-D736 WeakPolarHBondContact CB-O 3.3Å; S690-D737 CarbonylContact C-O 3.44Å; S690-D737 VanDerWaalsContact CA-O 3.31Å; S690-D737 WeakPolarHBondContact CA-O 3.27Å
691	W	94.4	Very high	82.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-41.4	174.8	-86.4	104.6	0	0	0	112.7	L673 L694 L695 M733 D737 V739 L749 H752	L673-W691 HydrophobicContact CD2-CZ3 4.27Å; W691-L694 HydrophobicContact CE3-CD2 4.26Å; W691-L694 HydrophobicContact CZ3-CD2 4.08Å; W691-L694 PolarHBondContact O-N 3.12Å; W691-L695 WeakPolarHBondContact O-CG 3.36Å; W691-L695 PolarHBondContact O-N 3.31Å; W691-M733 WeakPolarHBondContact CB-O 3.33Å; W691-M733 HydrophobicContact CD2-CB 4.3Å; W691-M733 HydrophobicContact CD2-CG 4.03Å; W691-M733 HydrophobicContact CE3-CB 4.15Å; W691-M733 HydrophobicContact CE3-CG 3.96Å; W691-M733 HydrophobicContact CH2-CE 4.17Å; W691-M733 HydrophobicContact CZ2-CE 4.44Å; W691-M733 HydrophobicContact CZ3-CE 4.49Å; W691-M733 HydrophobicContact CZ3-CG 4.21Å; W691-M733 HydrophobicContact CZ3-SD 4.48Å; W691-D737 PolarHBondContact N-O 3.4Å; W691-V739 HydrophobicContact CB-CG2 4.46Å; W691-V739 HydrophobicContact CD2-CG2 3.89Å; W691-V739 HydrophobicContact CE3-CG2 4.33Å; W691-V739 HydrophobicContact CG-CG2 3.95Å; W691-V739 HydrophobicContact CZ2-CG1 4.33Å; W691-L749 HydrophobicContact CH2-CB 4.47Å; W691-L749 HydrophobicContact CH2-CD1 4.18Å; W691-H752 AromaticContact CE2-CE1 3.92Å; W691-H752 AromaticContact CE2-CG 3.89Å; W691-H752 AromaticContact CE2-ND1 3.79Å; W691-H752 HydrophobicContact CH2-CB 4.48Å; W691-H752 HydrophobicContact CZ2-CB 3.63Å; W691-H752 AromaticContact CZ2-CD2 3.83Å; W691-H752 AromaticContact CZ2-CG 3.5Å; W691-H752 VanDerWaalsContact CZ2-CG 3.5Å; W691-H752 AromaticContact CZ2-ND1 3.84Å; W691-H752 AromaticContact NE1-CE1 3.21Å; W691-H752 PolarHBondContact NE1-CE1 3.28Å; W691-H752 AromaticContact NE1-CG 3.82Å; W691-H752 AromaticContact NE1-ND1 3.24Å; W691-H752 PolarHBondContact NE1-ND1 3.38Å; W691-H752 AromaticContact NE1-NE2 3.78Å
692	K	93.6	Very high	83.1	Confident	26 Å²	26	56.4 Å²	56.4	11%	0.113	33%	0.331	C	S	.	.	H	α-helix	trans	-57.3	-49.2	173.4	178	-177.5	176.4	-170.6	0	111.6	S690 L694 L695 C696 M705 F710 S735	S690-K692 VanDerWaalsContact C-N 3.3Å; S690-K692 PolarHBondContact O-N 3.38Å; K692-L694 PolarHBondContact O-N 3.27Å; K692-L695 PolarHBondContact O-N 2.83Å; K692-C696 WeakPolarHBondContact O-CB 3.39Å; K692-C696 PolarHBondContact O-N 2.77Å; K692-C696 PolarHBondContact O-SG 3.43Å; K692-M705 PolarHBondContact NZ-O 2.9Å; K692-M705 VanDerWaalsContact NZ-O 3.13Å; K692-F710 HydrophobicContact CB-CE1 4.26Å; K692-F710 HydrophobicContact CB-CZ 4.19Å; K692-F710 HydrophobicContact CD-CD1 4.4Å; K692-F710 HydrophobicContact CG-CD1 4.03Å; K692-F710 HydrophobicContact CG-CD2 4.21Å; K692-F710 HydrophobicContact CG-CE1 3.86Å; K692-F710 HydrophobicContact CG-CE2 4.05Å; K692-F710 HydrophobicContact CG-CG 4.2Å; K692-F710 HydrophobicContact CG-CZ 3.87Å; K692-S735 WeakPolarHBondContact CB-O 3.45Å; K692-S735 PolarHBondContact N-O 3Å
693	E	91.8	Very high	83	Confident	80 Å²	80	59.5 Å²	59.5	37%	0.374	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-41.7	-179.7	-72	173.6	146.7	0	0	112	I689 S690 C696 H697	I689-E693 HydrophobicContact CD1-CB 3.71Å; I689-E693 HydrophobicContact CG1-CB 3.44Å; I689-E693 VanDerWaalsContact CG1-CB 3.44Å; I689-E693 HydrophobicContact CG1-CG 4.49Å; I689-E693 WeakPolarHBondContact CG1-OE2 3.24Å; S690-E693 PolarHBondContact N-OE2 2.8Å; S690-E693 PolarHBondContact O-N 2.8Å; S690-E693 WeakPolarHBondContact OG-CG 3.43Å; S690-E693 PolarHBondContact OG-N 2.76Å; E693-C696 PolarHBondContact O-N 2.89Å; E693-H697 PolarHBondContact O-N 2.98Å
694	L	92.8	Very high	83.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-44.3	177.1	179.2	64.9	0	0	0	111.7	L682 I689 S690 W691 K692 H697 Q698 V739 I745	L682-L694 HydrophobicContact CD2-CD1 4.46Å; I689-L694 HydrophobicContact CD1-CB 4.26Å; S690-L694 PolarHBondContact O-N 2.8Å; W691-L694 HydrophobicContact CE3-CD2 4.26Å; W691-L694 HydrophobicContact CZ3-CD2 4.08Å; W691-L694 PolarHBondContact O-N 3.12Å; K692-L694 PolarHBondContact O-N 3.27Å; L694-H697 PolarHBondContact O-N 3.37Å; L694-Q698 PolarHBondContact O-N 3.33Å; L694-V739 HydrophobicContact CB-CG2 4.19Å; L694-V739 HydrophobicContact CD2-CG1 4.11Å; L694-V739 HydrophobicContact CD2-CG2 3.92Å; L694-I745 HydrophobicContact CD2-CG2 4.47Å
695	L	94	Very high	84.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.9	-40.9	176.5	-73	-178.3	0	0	0	112	L671 L673 W691 K692 H697 Q698 M699 F710 M733 L734	L671-L695 HydrophobicContact CB-CD2 4.32Å; L671-L695 HydrophobicContact CD1-CD2 4.19Å; L671-L695 HydrophobicContact CD2-CD2 4.44Å; L673-L695 HydrophobicContact CD1-CD2 4.37Å; L673-L695 HydrophobicContact CD2-CD2 3.86Å; L673-L695 HydrophobicContact CG-CD2 4.34Å; W691-L695 WeakPolarHBondContact O-CG 3.36Å; W691-L695 PolarHBondContact O-N 3.31Å; K692-L695 PolarHBondContact O-N 2.83Å; L695-H697 VanDerWaalsContact C-N 3.29Å; L695-H697 PolarHBondContact O-N 2.86Å; L695-Q698 PolarHBondContact O-N 3.44Å; L695-M699 WeakPolarHBondContact O-CB 3.24Å; L695-M699 VanDerWaalsContact O-CG 3.28Å; L695-M699 WeakPolarHBondContact O-CG 3.32Å; L695-M699 PolarHBondContact O-N 3.19Å; L695-F710 HydrophobicContact CB-CE2 3.98Å; L695-F710 HydrophobicContact CB-CZ 4.01Å; L695-F710 HydrophobicContact CD1-CZ 4.04Å; L695-M733 WeakPolarHBondContact CD1-O 3.4Å; L695-L734 HydrophobicContact CD1-CD2 4.15Å
696	C	92.3	Very high	86.2	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	34%	0.337	C	S	.	.	H	α-helix	trans	-56.2	-46.4	172.4	-78.1	0	0	0	0	110.9	K692 E693 M699 G700 L701 F710	K692-C696 WeakPolarHBondContact O-CB 3.39Å; K692-C696 PolarHBondContact O-N 2.77Å; K692-C696 PolarHBondContact O-SG 3.43Å; E693-C696 PolarHBondContact O-N 2.89Å; C696-M699 PolarHBondContact O-N 2.78Å; C696-G700 PolarHBondContact O-N 3.22Å; C696-L701 HydrophobicContact CB-CB 4.17Å; C696-L701 PolarHBondContact O-N 3.28Å; C696-F710 VanDerWaalsContact SG-CD2 3.56Å
697	H	89.7	Confident	87.9	Confident	100 Å²	100	51.5 Å²	51.5	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-46	176.9	-175.4	-82.9	0	0	0	112.1	E693 L694 L695 M699 G700	E693-H697 PolarHBondContact O-N 2.98Å; L694-H697 PolarHBondContact O-N 3.37Å; L695-H697 VanDerWaalsContact C-N 3.29Å; L695-H697 PolarHBondContact O-N 2.86Å; H697-M699 PolarHBondContact O-N 2.91Å; H697-G700 PolarHBondContact O-N 3.33Å
698	Q	90	Very high	89.4	Confident	62 Å²	62	54.6 Å²	54.6	29%	0.29	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-28.1	178.7	-83.7	-58.2	76.5	0	0	114.3	G672 L694 L695 I745	G672-Q698 PolarHBondContact O-NE2 2.88Å; L694-Q698 PolarHBondContact O-N 3.33Å; L695-Q698 PolarHBondContact O-N 3.44Å; Q698-I745 HydrophobicContact CG-CD1 3.82Å
699	M	91.4	Very high	90.2	Very high	40 Å²	40	50.8 Å²	50.8	20%	0.197	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.5	178.8	-64.2	167.3	64.8	0	0	113.1	L671 L695 C696 H697 L701 A713 V714 Q717	L671-M699 HydrophobicContact CD2-SD 4.03Å; L695-M699 WeakPolarHBondContact O-CB 3.24Å; L695-M699 VanDerWaalsContact O-CG 3.28Å; L695-M699 WeakPolarHBondContact O-CG 3.32Å; L695-M699 PolarHBondContact O-N 3.19Å; C696-M699 PolarHBondContact O-N 2.78Å; H697-M699 PolarHBondContact O-N 2.91Å; M699-L701 VanDerWaalsContact C-N 3.34Å; M699-L701 HydrophobicContact CB-CD1 3.81Å; M699-L701 HydrophobicContact CB-CG 3.78Å; M699-L701 HydrophobicContact CE-CD1 3.61Å; M699-L701 HydrophobicContact SD-CD1 4.2Å; M699-A713 VanDerWaalsContact CE-C 3.45Å; M699-A713 HydrophobicContact CE-CB 3.9Å; M699-A713 WeakPolarHBondContact CE-O 3.3Å; M699-V714 HydrophobicContact CE-CG2 4.1Å; M699-V714 HydrophobicContact SD-CG2 3.84Å; M699-Q717 HydrophobicContact CE-CB 3.84Å; M699-Q717 HydrophobicContact CE-CG 4.32Å; M699-Q717 HydrophobicContact CG-CG 4.42Å
700	G	89.9	Confident	90.3	Very high	71 Å²	71	49.8 Å²	49.8	73%	0.732	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	30.3	-175.6	0	0	0	0	0	113.8	C696 H697	C696-G700 PolarHBondContact O-N 3.22Å; H697-G700 PolarHBondContact O-N 3.33Å
701	L	90.8	Very high	90.4	Very high	57 Å²	57	52.5 Å²	52.5	30%	0.298	31%	0.314	S	S	.	.			trans	-102.7	157.5	-177.1	-61.5	179.2	0	0	0	112.3	C696 M699 M705 A713	C696-L701 HydrophobicContact CB-CB 4.17Å; C696-L701 PolarHBondContact O-N 3.28Å; M699-L701 VanDerWaalsContact C-N 3.34Å; M699-L701 HydrophobicContact CB-CD1 3.81Å; M699-L701 HydrophobicContact CB-CG 3.78Å; M699-L701 HydrophobicContact CE-CD1 3.61Å; M699-L701 HydrophobicContact SD-CD1 4.2Å; L701-M705 HydrophobicContact CB-CE 3.67Å; L701-M705 HydrophobicContact CB-SD 4.31Å; L701-M705 HydrophobicContact CD1-CE 4.01Å; L701-M705 HydrophobicContact CD1-SD 4.14Å; L701-M705 HydrophobicContact CD2-CE 4.14Å; L701-M705 HydrophobicContact CG-CE 4.15Å; L701-A713 HydrophobicContact CD1-CB 3.72Å
702	S	88.2	Confident	90.4	Very high	67 Å²	67	56.8 Å²	56.8	47%	0.469	33%	0.334	S	S	.	.			trans	-75.9	133.2	174.2	-174.4	0	0	0	0	111.6	S704 M705	S702-S704 PolarHBondContact O-N 2.84Å; S702-S704 PolarHBondContact OG-N 2.92Å; S702-S704 PolarHBondContact OG-OG 3.19Å; S702-M705 VanDerWaalsContact O-CG 3.24Å; S702-M705 WeakPolarHBondContact O-CG 3.48Å; S702-M705 PolarHBondContact O-N 3.05Å
703	S	80.1	Confident	90.5	Very high	71 Å²	71	56.8 Å²	56.8	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.2	175.4	53.8	0	0	0	0	113.7	M705	S703-M705 PolarHBondContact O-N 2.98Å
704	S	82.4	Confident	90.6	Very high	104 Å²	104	53 Å²	53	73%	0.727	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	5.6	179.6	61.4	0	0	0	0	115.3	S702	S702-S704 PolarHBondContact O-N 2.84Å; S702-S704 PolarHBondContact OG-N 2.92Å; S702-S704 PolarHBondContact OG-OG 3.19Å
705	M	88.8	Confident	90.9	Very high	42 Å²	42	56.1 Å²	56.1	21%	0.207	33%	0.334	C	S	.	.	S	Bend	trans	-73.1	153	-178.7	65.2	177.9	34.3	0	0	113.7	K692 L701 S702 S703 F710	K692-M705 PolarHBondContact NZ-O 2.9Å; K692-M705 VanDerWaalsContact NZ-O 3.13Å; L701-M705 HydrophobicContact CB-CE 3.67Å; L701-M705 HydrophobicContact CB-SD 4.31Å; L701-M705 HydrophobicContact CD1-CE 4.01Å; L701-M705 HydrophobicContact CD1-SD 4.14Å; L701-M705 HydrophobicContact CD2-CE 4.14Å; L701-M705 HydrophobicContact CG-CE 4.15Å; S702-M705 VanDerWaalsContact O-CG 3.24Å; S702-M705 WeakPolarHBondContact O-CG 3.48Å; S702-M705 PolarHBondContact O-N 3.05Å; S703-M705 PolarHBondContact O-N 2.98Å; M705-F710 HydrophobicContact CG-CB 3.99Å; M705-F710 VanDerWaalsContact SD-CA 3.59Å; M705-F710 HydrophobicContact SD-CB 3.68Å; M705-F710 HydrophobicContact SD-CD2 4.04Å; M705-F710 HydrophobicContact SD-CG 4.37Å
706	S	89.4	Confident	90.9	Very high	57 Å²	57	61.5 Å²	61.5	40%	0.399	36%	0.357	S	S	.	.			trans	-64.2	150.1	176.5	90.6	0	0	0	0	110.9	E708 A709 F710	S706-E708 VanDerWaalsContact CB-OE2 3.32Å; S706-E708 WeakPolarHBondContact CB-OE2 3.38Å; S706-E708 PolarHBondContact O-N 3.31Å; S706-E708 PolarHBondContact OG-OE2 3.15Å; S706-A709 PolarHBondContact O-N 3.45Å; S706-A709 PolarHBondContact OG-N 3.27Å; S706-F710 PolarHBondContact O-N 2.83Å
707	P	87.6	Confident	91.1	Very high	73 Å²	73	65.9 Å²	65.9	47%	0.474	38%	0.377	S	S	.	.	H	α-helix	trans	-53.9	-38.8	178.1	-26.4	35.6	0	0	0	113.5	F710 E711	P707-F710 PolarHBondContact O-N 3.22Å; P707-E711 PolarHBondContact O-N 3.44Å
708	E	90.7	Very high	91.3	Very high	134 Å²	134	61.1 Å²	61.1	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-68.4	-42.4	-178.5	-54	74	-161	0	0	111.6	S706 F710 E712	S706-E708 VanDerWaalsContact CB-OE2 3.32Å; S706-E708 WeakPolarHBondContact CB-OE2 3.38Å; S706-E708 PolarHBondContact O-N 3.31Å; S706-E708 PolarHBondContact OG-OE2 3.15Å; E708-F710 VanDerWaalsContact C-N 3.33Å; E708-E712 WeakPolarHBondContact O-CB 3.32Å; E708-E712 PolarHBondContact O-N 3.27Å
709	A	92.4	Very high	91.5	Very high	49 Å²	49	60.1 Å²	60.1	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-35.9	177.1	0	0	0	0	0	111.8	S706 A713	S706-A709 PolarHBondContact O-N 3.45Å; S706-A709 PolarHBondContact OG-N 3.27Å; A709-A713 WeakPolarHBondContact O-CB 3.4Å; A709-A713 PolarHBondContact O-N 3.38Å; A709-A713 VanDerWaalsContact O-N 3.08Å
710	F	93.6	Very high	91.7	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-52.2	174.3	170.4	-110	0	0	0	111.7	K692 L695 C696 M705 S706 P707 E708 E712 A713 V714 L734	K692-F710 HydrophobicContact CB-CE1 4.26Å; K692-F710 HydrophobicContact CB-CZ 4.19Å; K692-F710 HydrophobicContact CD-CD1 4.4Å; K692-F710 HydrophobicContact CG-CD1 4.03Å; K692-F710 HydrophobicContact CG-CD2 4.21Å; K692-F710 HydrophobicContact CG-CE1 3.86Å; K692-F710 HydrophobicContact CG-CE2 4.05Å; K692-F710 HydrophobicContact CG-CG 4.2Å; K692-F710 HydrophobicContact CG-CZ 3.87Å; L695-F710 HydrophobicContact CB-CE2 3.98Å; L695-F710 HydrophobicContact CB-CZ 4.01Å; L695-F710 HydrophobicContact CD1-CZ 4.04Å; C696-F710 VanDerWaalsContact SG-CD2 3.56Å; M705-F710 HydrophobicContact CG-CB 3.99Å; M705-F710 VanDerWaalsContact SD-CA 3.59Å; M705-F710 HydrophobicContact SD-CB 3.68Å; M705-F710 HydrophobicContact SD-CD2 4.04Å; M705-F710 HydrophobicContact SD-CG 4.37Å; S706-F710 PolarHBondContact O-N 2.83Å; P707-F710 PolarHBondContact O-N 3.22Å; E708-F710 VanDerWaalsContact C-N 3.33Å; F710-E712 VanDerWaalsContact C-N 3.31Å; F710-E712 PolarHBondContact O-N 2.72Å; F710-A713 PolarHBondContact O-N 3.42Å; F710-A713 VanDerWaalsContact O-N 3.15Å; F710-V714 HydrophobicContact CD2-CG2 4.14Å; F710-V714 HydrophobicContact CE1-CG2 4.25Å; F710-V714 HydrophobicContact CE2-CG2 3.7Å; F710-V714 HydrophobicContact CZ-CG2 3.76Å; F710-V714 WeakPolarHBondContact O-CG2 3.36Å; F710-V714 PolarHBondContact O-N 3.13Å; F710-L734 HydrophobicContact CE1-CB 4.16Å; F710-L734 HydrophobicContact CE1-CD2 4.12Å; F710-L734 HydrophobicContact CZ-CD2 4.38Å
711	E	94.3	Very high	92	Very high	65 Å²	65	62.3 Å²	62.3	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-40.1	179.9	-78	-158.9	-149.6	0	0	112.2	P707 A713 V714 Y715 M725 R729 L734	P707-E711 PolarHBondContact O-N 3.44Å; E711-A713 PolarHBondContact O-N 3.26Å; E711-V714 PolarHBondContact O-N 2.8Å; E711-Y715 WeakPolarHBondContact O-CB 3.32Å; E711-Y715 PolarHBondContact O-N 3.4Å; E711-M725 HydrophobicContact CB-CE 3.53Å; E711-M725 HydrophobicContact CG-CE 3.68Å; E711-M725 WeakPolarHBondContact O-CE 3.48Å; E711-M725 WeakPolarHBondContact OE2-CE 3.45Å; E711-R729 IonicContact OE2-CZ 2.95Å; E711-R729 IonicContact OE2-NE 3.95Å; E711-R729 IonicContact OE2-NH2 2.76Å; E711-R729 PolarHBondContact OE2-NH2 2.92Å; E711-L734 HydrophobicContact CG-CD1 4.43Å
712	E	94.6	Very high	92.3	Very high	91 Å²	91	64.2 Å²	64.2	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-40.1	175.2	176.9	63.8	-166.5	0	0	112.3	E708 F710 Y715 K716	E708-E712 WeakPolarHBondContact O-CB 3.32Å; E708-E712 PolarHBondContact O-N 3.27Å; F710-E712 VanDerWaalsContact C-N 3.31Å; F710-E712 PolarHBondContact O-N 2.72Å; E712-Y715 PolarHBondContact O-N 2.87Å; E712-K716 PolarHBondContact O-N 2.89Å; E712-K716 VanDerWaalsContact O-N 3.14Å; E712-K716 WeakPolarHBondContact OE1-CE 3.38Å; E712-K716 IonicContact OE1-NZ 3.4Å; E712-K716 PolarHBondContact OE1-NZ 2.99Å
713	A	95.2	Very high	92.7	Very high	26 Å²	26	63.4 Å²	63.4	22%	0.215	35%	0.349	C	S	.	.	H	α-helix	trans	-66.9	-42.4	176.6	0	0	0	0	0	111.6	M699 L701 A709 F710 E711 K716 Q717	M699-A713 VanDerWaalsContact CE-C 3.45Å; M699-A713 HydrophobicContact CE-CB 3.9Å; M699-A713 WeakPolarHBondContact CE-O 3.3Å; L701-A713 HydrophobicContact CD1-CB 3.72Å; A709-A713 WeakPolarHBondContact O-CB 3.4Å; A709-A713 PolarHBondContact O-N 3.38Å; A709-A713 VanDerWaalsContact O-N 3.08Å; F710-A713 PolarHBondContact O-N 3.42Å; F710-A713 VanDerWaalsContact O-N 3.15Å; E711-A713 PolarHBondContact O-N 3.26Å; A713-K716 PolarHBondContact O-N 2.91Å; A713-Q717 PolarHBondContact O-N 2.97Å
714	V	95.6	Very high	93.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-44.1	175.8	174.9	0	0	0	0	110.4	L671 M699 F710 E711 K716 Q717 V718 M725 L728 L734	L671-V714 HydrophobicContact CD2-CG1 4.35Å; M699-V714 HydrophobicContact CE-CG2 4.1Å; M699-V714 HydrophobicContact SD-CG2 3.84Å; F710-V714 HydrophobicContact CD2-CG2 4.14Å; F710-V714 HydrophobicContact CE1-CG2 4.25Å; F710-V714 HydrophobicContact CE2-CG2 3.7Å; F710-V714 HydrophobicContact CZ-CG2 3.76Å; F710-V714 WeakPolarHBondContact O-CG2 3.36Å; F710-V714 PolarHBondContact O-N 3.13Å; E711-V714 PolarHBondContact O-N 2.8Å; V714-K716 VanDerWaalsContact C-N 3.31Å; V714-K716 PolarHBondContact O-N 3.12Å; V714-Q717 PolarHBondContact O-N 2.97Å; V714-Q717 VanDerWaalsContact O-N 3.1Å; V714-V718 HydrophobicContact CG1-CG1 4.37Å; V714-V718 WeakPolarHBondContact O-CG2 3.37Å; V714-V718 PolarHBondContact O-N 3.34Å; V714-M725 HydrophobicContact CB-SD 4.44Å; V714-M725 HydrophobicContact CG1-SD 3.99Å; V714-L728 HydrophobicContact CG1-CD1 3.77Å; V714-L734 HydrophobicContact CB-CD2 4.47Å; V714-L734 HydrophobicContact CG1-CD2 3.93Å; V714-L734 HydrophobicContact CG2-CD2 4.34Å
715	Y	97.1	Very high	94.1	Very high	65 Å²	65	56.9 Å²	56.9	26%	0.255	30%	0.298	S	S	.	.	H	α-helix	trans	-55.7	-44.7	177.7	-177.9	-112	0	0	0	112	E711 E712 V718 G719 E720 M725	E711-Y715 WeakPolarHBondContact O-CB 3.32Å; E711-Y715 PolarHBondContact O-N 3.4Å; E712-Y715 PolarHBondContact O-N 2.87Å; Y715-V718 VanDerWaalsContact O-CG2 3.32Å; Y715-V718 WeakPolarHBondContact O-CG2 3.29Å; Y715-G719 PolarHBondContact O-N 2.95Å; Y715-E720 HydrophobicContact CD1-CB 4.33Å; Y715-E720 HydrophobicContact CD1-CG 4.21Å; Y715-E720 HydrophobicContact CE1-CB 3.7Å; Y715-E720 HydrophobicContact CE1-CG 3.95Å; Y715-E720 VanDerWaalsContact CZ-C 3.42Å; Y715-E720 WeakPolarHBondContact O-CA 3.33Å; Y715-E720 PolarHBondContact O-N 2.72Å; Y715-E720 PolarHBondContact OH-O 2.98Å; Y715-M725 HydrophobicContact CD2-CB 4.13Å; Y715-M725 HydrophobicContact CD2-CG 4.3Å
716	K	95.8	Very high	94.5	Very high	114 Å²	114	58.3 Å²	58.3	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-45.2	174.1	-74.2	174.7	179.5	148.6	0	112.5	E712 A713 V714 V718 G719 E720	E712-K716 PolarHBondContact O-N 2.89Å; E712-K716 VanDerWaalsContact O-N 3.14Å; E712-K716 WeakPolarHBondContact OE1-CE 3.38Å; E712-K716 IonicContact OE1-NZ 3.4Å; E712-K716 PolarHBondContact OE1-NZ 2.99Å; A713-K716 PolarHBondContact O-N 2.91Å; V714-K716 VanDerWaalsContact C-N 3.31Å; V714-K716 PolarHBondContact O-N 3.12Å; K716-V718 VanDerWaalsContact C-N 3.32Å; K716-V718 PolarHBondContact O-N 2.81Å; K716-G719 WeakPolarHBondContact O-CA 3.48Å; K716-G719 PolarHBondContact O-N 2.83Å; K716-E720 HydrophobicContact CG-CG 4.49Å
717	Q	94.8	Very high	94.9	Very high	94 Å²	94	55.8 Å²	55.8	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-36	-178.1	-172.4	63.1	21.6	0	0	112.6	K670 L671 M699 A713 V714 G719	K670-Q717 PolarHBondContact O-NE2 3.09Å; L671-Q717 HydrophobicContact CD2-CB 4.14Å; L671-Q717 HydrophobicContact CD2-CG 3.74Å; M699-Q717 HydrophobicContact CE-CB 3.84Å; M699-Q717 HydrophobicContact CE-CG 4.32Å; M699-Q717 HydrophobicContact CG-CG 4.42Å; A713-Q717 PolarHBondContact O-N 2.97Å; V714-Q717 PolarHBondContact O-N 2.97Å; V714-Q717 VanDerWaalsContact O-N 3.1Å; Q717-G719 PolarHBondContact O-N 2.87Å
718	V	94.5	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	3.7	174.9	-57.9	0	0	0	0	113.6	L671 V714 Y715 K716 R724 L728	L671-V718 HydrophobicContact CD1-CG1 3.86Å; L671-V718 HydrophobicContact CD2-CG1 4.15Å; L671-V718 HydrophobicContact CG-CG1 3.88Å; V714-V718 HydrophobicContact CG1-CG1 4.37Å; V714-V718 WeakPolarHBondContact O-CG2 3.37Å; V714-V718 PolarHBondContact O-N 3.34Å; Y715-V718 VanDerWaalsContact O-CG2 3.32Å; Y715-V718 WeakPolarHBondContact O-CG2 3.29Å; K716-V718 VanDerWaalsContact C-N 3.32Å; K716-V718 PolarHBondContact O-N 2.81Å; V718-R724 HydrophobicContact CB-CB 4.03Å; V718-R724 HydrophobicContact CG2-CB 3.99Å; V718-R724 VanDerWaalsContact O-CD 3.27Å; V718-R724 WeakPolarHBondContact O-CD 3.38Å; V718-R724 PolarHBondContact O-NH1 3.05Å; V718-L728 HydrophobicContact CG1-CD1 3.93Å
719	G	94.3	Very high	95.6	Very high	41 Å²	41	50.8 Å²	50.8	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	36.3	175.3	0	0	0	0	0	114.2	Y715 K716 Q717 D721	Y715-G719 PolarHBondContact O-N 2.95Å; K716-G719 WeakPolarHBondContact O-CA 3.48Å; K716-G719 PolarHBondContact O-N 2.83Å; Q717-G719 PolarHBondContact O-N 2.87Å; G719-D721 VanDerWaalsContact C-N 3.27Å; G719-D721 PolarHBondContact O-N 2.85Å
720	E	96.2	Very high	95.8	Very high	124 Å²	124	54.6 Å²	54.6	58%	0.579	26%	0.258	S	S	*	.	S	Bend	trans	55.2	41.1	175.5	-57.7	-178.4	163.6	0	0	112.8	Y715 K716	Y715-E720 HydrophobicContact CD1-CB 4.33Å; Y715-E720 HydrophobicContact CD1-CG 4.21Å; Y715-E720 HydrophobicContact CE1-CB 3.7Å; Y715-E720 HydrophobicContact CE1-CG 3.95Å; Y715-E720 VanDerWaalsContact CZ-C 3.42Å; Y715-E720 WeakPolarHBondContact O-CA 3.33Å; Y715-E720 PolarHBondContact O-N 2.72Å; Y715-E720 PolarHBondContact OH-O 2.98Å; K716-E720 HydrophobicContact CG-CG 4.49Å
721	D	95.8	Very high	96	Very high	33 Å²	33	54.5 Å²	54.5	18%	0.176	26%	0.258	C	S	.	.			trans	-112.5	114.6	-177.8	-173.9	-88.4	0	0	0	111.4	K663 G719 F723 R724 M725	K663-D721 WeakPolarHBondContact CE-OD1 3.39Å; K663-D721 WeakPolarHBondContact CE-OD2 3.09Å; K663-D721 IonicContact NZ-OD1 3.1Å; K663-D721 PolarHBondContact NZ-OD1 3.46Å; K663-D721 IonicContact NZ-OD2 3.56Å; K663-D721 PolarHBondContact NZ-OD2 2.92Å; G719-D721 VanDerWaalsContact C-N 3.27Å; G719-D721 PolarHBondContact O-N 2.85Å; D721-F723 VanDerWaalsContact C-N 3.29Å; D721-F723 PolarHBondContact O-N 3.36Å; D721-F723 WeakPolarHBondContact OD1-CA 3.18Å; D721-F723 WeakPolarHBondContact OD1-CB 3.22Å; D721-F723 PolarHBondContact OD1-N 3.17Å; D721-F723 VanDerWaalsContact OD1-N 3.08Å; D721-R724 HydrophobicContact CB-CB 4.32Å; D721-R724 HydrophobicContact CB-CG 4.22Å; D721-R724 PolarHBondContact O-N 3.21Å; D721-R724 PolarHBondContact OD1-N 2.9Å; D721-M725 PolarHBondContact O-N 3.31Å; D721-M725 VanDerWaalsContact O-N 3.14Å
722	Q	96.5	Very high	96	Very high	97 Å²	97	52 Å²	52	45%	0.453	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-36.7	-176.9	-169.6	61.7	47.3	0	0	112.8	R724 M725 D726	Q722-R724 PolarHBondContact O-N 2.85Å; Q722-M725 PolarHBondContact O-N 3.42Å; Q722-D726 PolarHBondContact NE2-OD1 2.81Å; Q722-D726 WeakPolarHBondContact O-CB 3.49Å; Q722-D726 PolarHBondContact O-N 2.78Å
723	F	96.7	Very high	96	Very high	49 Å²	49	47.7 Å²	47.7	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-40.3	-179.5	169.4	-93	0	0	0	112	P576 G660 K663 A664 D721 M725 T727	P576-F723 WeakPolarHBondContact O-CZ 3.46Å; G660-F723 WeakPolarHBondContact O-CE1 3.44Å; K663-F723 HydrophobicContact CB-CD1 4.27Å; K663-F723 HydrophobicContact CB-CE1 4.05Å; K663-F723 HydrophobicContact CD-CD1 3.66Å; K663-F723 HydrophobicContact CD-CE1 4.22Å; K663-F723 HydrophobicContact CD-CG 4.33Å; K663-F723 HydrophobicContact CG-CD1 3.82Å; K663-F723 HydrophobicContact CG-CE1 4.13Å; A664-F723 HydrophobicContact CB-CE1 3.95Å; A664-F723 HydrophobicContact CB-CZ 4.41Å; D721-F723 VanDerWaalsContact C-N 3.29Å; D721-F723 PolarHBondContact O-N 3.36Å; D721-F723 WeakPolarHBondContact OD1-CA 3.18Å; D721-F723 WeakPolarHBondContact OD1-CB 3.22Å; D721-F723 PolarHBondContact OD1-N 3.17Å; D721-F723 VanDerWaalsContact OD1-N 3.08Å; F723-M725 VanDerWaalsContact C-N 3.34Å; F723-T727 WeakPolarHBondContact O-CB 3.27Å; F723-T727 PolarHBondContact O-N 2.9Å; F723-T727 PolarHBondContact O-OG1 2.93Å
724	R	96.6	Very high	96	Very high	35 Å²	35	47.3 Å²	47.3	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-41.4	173.6	-70	177.1	-179.6	144.6	3.1	111.5	K663 V718 D721 Q722 T727 L728	K663-R724 PolarHBondContact O-NE 3.25Å; V718-R724 HydrophobicContact CB-CB 4.03Å; V718-R724 HydrophobicContact CG2-CB 3.99Å; V718-R724 VanDerWaalsContact O-CD 3.27Å; V718-R724 WeakPolarHBondContact O-CD 3.38Å; V718-R724 PolarHBondContact O-NH1 3.05Å; D721-R724 HydrophobicContact CB-CB 4.32Å; D721-R724 HydrophobicContact CB-CG 4.22Å; D721-R724 PolarHBondContact O-N 3.21Å; D721-R724 PolarHBondContact OD1-N 2.9Å; Q722-R724 PolarHBondContact O-N 2.85Å; R724-T727 WeakPolarHBondContact O-CB 3.36Å; R724-T727 PolarHBondContact O-N 3.23Å; R724-L728 WeakPolarHBondContact O-CG 3.35Å; R724-L728 PolarHBondContact O-N 3.32Å; R724-L728 VanDerWaalsContact O-N 3.14Å
725	M	96.4	Very high	95.8	Very high	4 Å²	4	49 Å²	49	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-47	178	-168.3	60	177.8	0	0	112	E711 V714 Y715 D721 Q722 F723 T727 L728 R729 L734	E711-M725 HydrophobicContact CB-CE 3.53Å; E711-M725 HydrophobicContact CG-CE 3.68Å; E711-M725 WeakPolarHBondContact O-CE 3.48Å; E711-M725 WeakPolarHBondContact OE2-CE 3.45Å; V714-M725 HydrophobicContact CB-SD 4.44Å; V714-M725 HydrophobicContact CG1-SD 3.99Å; Y715-M725 HydrophobicContact CD2-CB 4.13Å; Y715-M725 HydrophobicContact CD2-CG 4.3Å; D721-M725 PolarHBondContact O-N 3.31Å; D721-M725 VanDerWaalsContact O-N 3.14Å; Q722-M725 PolarHBondContact O-N 3.42Å; F723-M725 VanDerWaalsContact C-N 3.34Å; M725-T727 VanDerWaalsContact C-N 3.28Å; M725-T727 PolarHBondContact O-N 2.76Å; M725-L728 PolarHBondContact O-N 3.43Å; M725-R729 PolarHBondContact O-N 2.91Å; M725-L734 HydrophobicContact CE-CD1 3.44Å; M725-L734 VanDerWaalsContact CE-CD1 3.44Å; M725-L734 HydrophobicContact SD-CD1 3.93Å
726	D	97	Very high	95.6	Very high	72 Å²	72	51.7 Å²	51.7	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-64.9	-33.9	178.2	-65.8	-18.8	0	0	0	111.9	Q722 R729 W730	Q722-D726 PolarHBondContact NE2-OD1 2.81Å; Q722-D726 WeakPolarHBondContact O-CB 3.49Å; Q722-D726 PolarHBondContact O-N 2.78Å; D726-R729 PolarHBondContact O-N 2.9Å; D726-R729 IonicContact OD1-NH1 3.22Å; D726-R729 PolarHBondContact OD1-NH1 2.96Å; D726-W730 WeakPolarHBondContact O-CB 3.23Å; D726-W730 PolarHBondContact O-N 3.47Å
727	T	97.3	Very high	95.4	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-48.3	173.3	-62.7	0	0	0	0	111.6	P576 L577 A664 F668 F723 R724 M725 R729 W730 L731	P576-T727 HydrophobicContact CB-CG2 3.76Å; L577-T727 HydrophobicContact CD2-CG2 4.18Å; A664-T727 HydrophobicContact CB-CG2 4.11Å; F668-T727 HydrophobicContact CE1-CG2 4.41Å; F668-T727 HydrophobicContact CZ-CG2 4.27Å; F723-T727 WeakPolarHBondContact O-CB 3.27Å; F723-T727 PolarHBondContact O-N 2.9Å; F723-T727 PolarHBondContact O-OG1 2.93Å; R724-T727 WeakPolarHBondContact O-CB 3.36Å; R724-T727 PolarHBondContact O-N 3.23Å; M725-T727 VanDerWaalsContact C-N 3.28Å; M725-T727 PolarHBondContact O-N 2.76Å; T727-R729 VanDerWaalsContact C-N 3.34Å; T727-R729 PolarHBondContact O-N 2.9Å; T727-W730 PolarHBondContact O-N 2.64Å; T727-L731 HydrophobicContact CG2-CD1 3.92Å; T727-L731 WeakPolarHBondContact O-CB 3.24Å; T727-L731 WeakPolarHBondContact O-CG 3.4Å; T727-L731 PolarHBondContact O-N 3.15Å
728	L	97.1	Very high	95.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-41	178.2	-66.7	166.1	0	0	0	111.6	F668 L671 V714 V718 R724 M725 L731 G732 M733 L734	F668-L728 HydrophobicContact CD1-CD2 4.06Å; F668-L728 HydrophobicContact CE1-CD2 3.84Å; L671-L728 HydrophobicContact CD1-CD1 3.56Å; L671-L728 HydrophobicContact CD1-CD2 3.84Å; L671-L728 HydrophobicContact CD1-CG 4.36Å; V714-L728 HydrophobicContact CG1-CD1 3.77Å; V718-L728 HydrophobicContact CG1-CD1 3.93Å; R724-L728 WeakPolarHBondContact O-CG 3.35Å; R724-L728 PolarHBondContact O-N 3.32Å; R724-L728 VanDerWaalsContact O-N 3.14Å; M725-L728 PolarHBondContact O-N 3.43Å; L728-L731 PolarHBondContact O-N 2.92Å; L728-G732 PolarHBondContact O-N 2.99Å; L728-M733 HydrophobicContact CB-CB 4.49Å; L728-M733 HydrophobicContact CD2-CB 4.19Å; L728-M733 HydrophobicContact CD2-SD 3.81Å; L728-M733 PolarHBondContact O-N 3.47Å; L728-L734 HydrophobicContact CB-CD1 4.27Å; L728-L734 HydrophobicContact CB-CD2 3.95Å; L728-L734 HydrophobicContact CB-CG 3.97Å; L728-L734 HydrophobicContact CD1-CD2 4.39Å
729	R	96.1	Very high	95.2	Very high	101 Å²	101	49.5 Å²	49.5	38%	0.381	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-46.9	177.8	-165.3	177.2	-64	104.2	-1.7	111.7	E711 M725 D726 T727 L731 G732 L734	E711-R729 IonicContact OE2-CZ 2.95Å; E711-R729 IonicContact OE2-NE 3.95Å; E711-R729 IonicContact OE2-NH2 2.76Å; E711-R729 PolarHBondContact OE2-NH2 2.92Å; M725-R729 PolarHBondContact O-N 2.91Å; D726-R729 PolarHBondContact O-N 2.9Å; D726-R729 IonicContact OD1-NH1 3.22Å; D726-R729 PolarHBondContact OD1-NH1 2.96Å; T727-R729 VanDerWaalsContact C-N 3.34Å; T727-R729 PolarHBondContact O-N 2.9Å; R729-L731 VanDerWaalsContact C-N 3.28Å; R729-L731 PolarHBondContact O-N 3.1Å; R729-G732 PolarHBondContact O-N 3.4Å; R729-L734 HydrophobicContact CB-CD1 4Å
730	W	97.3	Very high	95	Very high	129 Å²	129	49.3 Å²	49.3	49%	0.489	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-37.7	178.1	-172.6	98.2	0	0	0	112	N575 P576 D726 T727 G732 L757	N575-W730 HydrophobicContact CB-CH2 4.06Å; N575-W730 HydrophobicContact CB-CZ2 4.26Å; P576-W730 VanDerWaalsContact CD-CD2 3.46Å; P576-W730 HydrophobicContact CG-CB 3.68Å; P576-W730 HydrophobicContact CG-CD2 3.55Å; P576-W730 HydrophobicContact CG-CE3 3.72Å; P576-W730 HydrophobicContact CG-CG 3.53Å; D726-W730 WeakPolarHBondContact O-CB 3.23Å; D726-W730 PolarHBondContact O-N 3.47Å; T727-W730 PolarHBondContact O-N 2.64Å; W730-G732 PolarHBondContact O-N 3.29Å; W730-L757 HydrophobicContact CH2-CD2 3.8Å; W730-L757 HydrophobicContact CZ3-CD2 3.74Å
731	L	96.4	Very high	94.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.6	176	-69.2	169.5	0	0	0	113.4	F668 T727 L728 R729 M733 H752 L753 K756 L757	F668-L731 HydrophobicContact CE1-CD1 4.06Å; F668-L731 HydrophobicContact CZ-CD1 3.55Å; T727-L731 HydrophobicContact CG2-CD1 3.92Å; T727-L731 WeakPolarHBondContact O-CB 3.24Å; T727-L731 WeakPolarHBondContact O-CG 3.4Å; T727-L731 PolarHBondContact O-N 3.15Å; L728-L731 PolarHBondContact O-N 2.92Å; R729-L731 VanDerWaalsContact C-N 3.28Å; R729-L731 PolarHBondContact O-N 3.1Å; L731-M733 VanDerWaalsContact C-N 3.25Å; L731-M733 HydrophobicContact CB-CE 4.07Å; L731-M733 HydrophobicContact CB-CG 3.99Å; L731-M733 HydrophobicContact CB-SD 4.09Å; L731-M733 HydrophobicContact CD1-CE 4.01Å; L731-M733 HydrophobicContact CD1-SD 4.17Å; L731-M733 PolarHBondContact O-N 3.38Å; L731-H752 PolarHBondContact O-NE2 2.82Å; L731-L753 HydrophobicContact CD1-CD2 3.9Å; L731-L753 HydrophobicContact CD2-CD2 3.69Å; L731-L753 HydrophobicContact CG-CD2 4.4Å; L731-K756 HydrophobicContact CD2-CB 4.48Å; L731-L757 HydrophobicContact CD2-CD1 4.3Å
732	G	95.6	Very high	94.2	Very high	12 Å²	12	47.3 Å²	47.3	12%	0.124	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	12.1	-178.4	0	0	0	0	0	113.9	L728 R729 W730 L734 S735	L728-G732 PolarHBondContact O-N 2.99Å; R729-G732 PolarHBondContact O-N 3.4Å; W730-G732 PolarHBondContact O-N 3.29Å; G732-L734 PolarHBondContact O-N 3.06Å; G732-S735 WeakPolarHBondContact O-CB 3.41Å; G732-S735 PolarHBondContact O-N 3.41Å; G732-S735 PolarHBondContact O-OG 3.47Å
733	M	94.8	Very high	93.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.3	-175.1	-66.2	175.7	175.2	0	0	113.6	F668 L673 W691 L695 L728 L731 L749 L753	F668-M733 HydrophobicContact CE1-SD 4.09Å; L673-M733 HydrophobicContact CD1-SD 4.47Å; W691-M733 WeakPolarHBondContact CB-O 3.33Å; W691-M733 HydrophobicContact CD2-CB 4.3Å; W691-M733 HydrophobicContact CD2-CG 4.03Å; W691-M733 HydrophobicContact CE3-CB 4.15Å; W691-M733 HydrophobicContact CE3-CG 3.96Å; W691-M733 HydrophobicContact CH2-CE 4.17Å; W691-M733 HydrophobicContact CZ2-CE 4.44Å; W691-M733 HydrophobicContact CZ3-CE 4.49Å; W691-M733 HydrophobicContact CZ3-CG 4.21Å; W691-M733 HydrophobicContact CZ3-SD 4.48Å; L695-M733 WeakPolarHBondContact CD1-O 3.4Å; L728-M733 HydrophobicContact CB-CB 4.49Å; L728-M733 HydrophobicContact CD2-CB 4.19Å; L728-M733 HydrophobicContact CD2-SD 3.81Å; L728-M733 PolarHBondContact O-N 3.47Å; L731-M733 VanDerWaalsContact C-N 3.25Å; L731-M733 HydrophobicContact CB-CE 4.07Å; L731-M733 HydrophobicContact CB-CG 3.99Å; L731-M733 HydrophobicContact CB-SD 4.09Å; L731-M733 HydrophobicContact CD1-CE 4.01Å; L731-M733 HydrophobicContact CD1-SD 4.17Å; L731-M733 PolarHBondContact O-N 3.38Å; M733-L749 HydrophobicContact CE-CD1 3.21Å; M733-L749 HydrophobicContact SD-CD1 4.36Å; M733-L753 HydrophobicContact CE-CD2 3.94Å
734	L	94	Very high	93.4	Very high	19 Å²	19	46.1 Å²	46.1	10%	0.099	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	4.4	175.2	-53.5	-179	0	0	0	112.6	L695 F710 E711 V714 M725 L728 R729 G732	L695-L734 HydrophobicContact CD1-CD2 4.15Å; F710-L734 HydrophobicContact CE1-CB 4.16Å; F710-L734 HydrophobicContact CE1-CD2 4.12Å; F710-L734 HydrophobicContact CZ-CD2 4.38Å; E711-L734 HydrophobicContact CG-CD1 4.43Å; V714-L734 HydrophobicContact CB-CD2 4.47Å; V714-L734 HydrophobicContact CG1-CD2 3.93Å; V714-L734 HydrophobicContact CG2-CD2 4.34Å; M725-L734 HydrophobicContact CE-CD1 3.44Å; M725-L734 VanDerWaalsContact CE-CD1 3.44Å; M725-L734 HydrophobicContact SD-CD1 3.93Å; L728-L734 HydrophobicContact CB-CD1 4.27Å; L728-L734 HydrophobicContact CB-CD2 3.95Å; L728-L734 HydrophobicContact CB-CG 3.97Å; L728-L734 HydrophobicContact CD1-CD2 4.39Å; R729-L734 HydrophobicContact CB-CD1 4Å; G732-L734 PolarHBondContact O-N 3.06Å
735	S	92.5	Very high	93.3	Very high	35 Å²	35	44.5 Å²	44.5	25%	0.245	24%	0.236	C	C	.	.	S	Bend	trans	-101.5	175.1	-171.8	75.5	0	0	0	0	112.6	K692 G732 D737	K692-S735 WeakPolarHBondContact CB-O 3.45Å; K692-S735 PolarHBondContact N-O 3Å; G732-S735 WeakPolarHBondContact O-CB 3.41Å; G732-S735 PolarHBondContact O-N 3.41Å; G732-S735 PolarHBondContact O-OG 3.47Å; S735-D737 PolarHBondContact O-N 3.37Å; S735-D737 VanDerWaalsContact OG-CB 3.24Å; S735-D737 WeakPolarHBondContact OG-CB 3.18Å; S735-D737 PolarHBondContact OG-N 3.1Å; S735-D737 VanDerWaalsContact OG-N 3.13Å; S735-D737 PolarHBondContact OG-OD2 2.88Å
736	D	91.3	Very high	93.2	Very high	122 Å²	122	44.3 Å²	44.3	65%	0.652	24%	0.235	S	C	*	.	S	Bend	trans	-83.4	11.3	170.9	-64.3	-49.3	0	0	0	112.9	S690	S690-D736 WeakPolarHBondContact CB-O 3.3Å
737	D	92	Very high	93	Very high	85 Å²	85	42 Å²	42	46%	0.455	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-60.9	140.9	172.8	-71.4	-12.8	0	0	0	110.7	S690 W691 S735	S690-D737 CarbonylContact C-O 3.44Å; S690-D737 VanDerWaalsContact CA-O 3.31Å; S690-D737 WeakPolarHBondContact CA-O 3.27Å; W691-D737 PolarHBondContact N-O 3.4Å; S735-D737 PolarHBondContact O-N 3.37Å; S735-D737 VanDerWaalsContact OG-CB 3.24Å; S735-D737 WeakPolarHBondContact OG-CB 3.18Å; S735-D737 PolarHBondContact OG-N 3.1Å; S735-D737 VanDerWaalsContact OG-N 3.13Å; S735-D737 PolarHBondContact OG-OD2 2.88Å
738	A	92.2	Very high	92.8	Very high	62 Å²	62	41.9 Å²	41.9	51%	0.512	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-66	138.9	-179.9	0	0	0	0	0	112.1
739	V	92.9	Very high	92.7	Very high	15 Å²	15	41.8 Å²	41.8	9%	0.091	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-75.3	131.1	172.2	-179.5	0	0	0	0	109.3	L682 I689 W691 L694 H741	L682-V739 HydrophobicContact CD2-CG1 4.15Å; I689-V739 HydrophobicContact CG2-CB 4.23Å; I689-V739 HydrophobicContact CG2-CG2 4.27Å; I689-V739 PolarHBondContact O-N 3.5Å; W691-V739 HydrophobicContact CB-CG2 4.46Å; W691-V739 HydrophobicContact CD2-CG2 3.89Å; W691-V739 HydrophobicContact CE3-CG2 4.33Å; W691-V739 HydrophobicContact CG-CG2 3.95Å; W691-V739 HydrophobicContact CZ2-CG1 4.33Å; L694-V739 HydrophobicContact CB-CG2 4.19Å; L694-V739 HydrophobicContact CD2-CG1 4.11Å; L694-V739 HydrophobicContact CD2-CG2 3.92Å; V739-H741 PolarHBondContact O-N 3.38Å
740	P	91	Very high	92.7	Very high	37 Å²	37	37.1 Å²	37.1	24%	0.24	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-57.8	129.7	173.6	-26	35.7	0	0	0	111.8	A742 S748 K751 H752	P740-A742 PolarHBondContact O-N 3.23Å; P740-S748 VanDerWaalsContact O-CB 3.24Å; P740-S748 WeakPolarHBondContact O-CB 3.42Å; P740-S748 PolarHBondContact O-OG 3.16Å; P740-K751 HydrophobicContact CB-CB 3.79Å; P740-K751 HydrophobicContact CB-CD 4.24Å; P740-K751 HydrophobicContact CG-CB 4.33Å; P740-H752 HydrophobicContact CG-CB 3.97Å
741	H	87.8	Confident	92.5	Very high	106 Å²	106	36 Å²	36	49%	0.491	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-65.7	128.6	-176	-178.9	68.5	0	0	0	112.3	L682 V739 K751	L682-H741 PolarHBondContact O-CE1 3.2Å; L682-H741 VanDerWaalsContact O-CE1 3.23Å; L682-H741 PolarHBondContact O-ND1 3.01Å; V739-H741 PolarHBondContact O-N 3.38Å; H741-K751 PolarHBondContact O-NZ 3.04Å
742	A	86.8	Confident	92.4	Very high	9 Å²	9	36.7 Å²	36.7	7%	0.074	21%	0.209	C	C	.	.			trans	-164	165.2	171.4	0	0	0	0	0	110.2	L682 P740 T744 A747	L682-A742 WeakPolarHBondContact CB-O 3.22Å; P740-A742 PolarHBondContact O-N 3.23Å; A742-T744 VanDerWaalsContact C-N 3.28Å; A742-T744 PolarHBondContact O-N 3.19Å; A742-A747 HydrophobicContact CB-CB 3.54Å
743	D	85.8	Confident	92.4	Very high	103 Å²	103	36.1 Å²	36.1	55%	0.551	20%	0.203	S	C	*	.	S	Bend	trans	-71.4	-21.3	-175.7	-55.3	-31	0	0	0	114	P678 N679 L683	P678-D743 WeakPolarHBondContact CA-O 3.37Å; N679-D743 PolarHBondContact N-O 3.32Å; L683-D743 HydrophobicContact CD2-CB 4.31Å
744	T	91.8	Very high	92.3	Very high	18 Å²	18	40 Å²	40	11%	0.11	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-133.4	152.2	-173.9	68.2	0	0	0	0	111.1	T676 A742 L746 A747 S748	T676-T744 WeakPolarHBondContact O-CG2 3.29Å; A742-T744 VanDerWaalsContact C-N 3.28Å; A742-T744 PolarHBondContact O-N 3.19Å; T744-L746 VanDerWaalsContact C-N 3.28Å; T744-L746 PolarHBondContact O-N 2.93Å; T744-A747 PolarHBondContact O-N 2.82Å; T744-A747 VanDerWaalsContact O-N 3.16Å; T744-A747 VanDerWaalsContact OG1-CB 3.25Å; T744-A747 WeakPolarHBondContact OG1-CB 3.43Å; T744-A747 PolarHBondContact OG1-N 2.84Å; T744-S748 PolarHBondContact O-N 3.37Å
745	I	94	Very high	92.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-42.7	178.7	-57.2	178.5	0	0	0	110.5	L673 N675 N679 L682 L694 Q698 A747 S748 L749	L673-I745 HydrophobicContact CB-CG2 4.49Å; L673-I745 HydrophobicContact CD2-CG2 3.89Å; N675-I745 HydrophobicContact CB-CD1 4.49Å; N679-I745 HydrophobicContact CB-CG1 4.11Å; N679-I745 WeakPolarHBondContact ND2-CD1 3.48Å; L682-I745 HydrophobicContact CD1-CG1 4.16Å; L694-I745 HydrophobicContact CD2-CG2 4.47Å; Q698-I745 HydrophobicContact CG-CD1 3.82Å; I745-A747 VanDerWaalsContact C-N 3.32Å; I745-A747 PolarHBondContact O-N 3.21Å; I745-S748 PolarHBondContact O-N 3.15Å; I745-L749 WeakPolarHBondContact O-CB 3.42Å; I745-L749 PolarHBondContact O-N 2.93Å
746	L	94.7	Very high	92.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-40.1	178.6	178.8	58.8	0	0	0	112.2	Y586 L589 L590 I674 N675 T676 T744 L749 A750	Y586-L746 HydrophobicContact CD2-CD2 4.08Å; Y586-L746 HydrophobicContact CD2-CG 3.8Å; Y586-L746 HydrophobicContact CE1-CD2 4.14Å; Y586-L746 HydrophobicContact CE2-CB 4.14Å; Y586-L746 HydrophobicContact CE2-CD2 3.65Å; Y586-L746 HydrophobicContact CE2-CG 3.62Å; L589-L746 HydrophobicContact CB-CD1 3.57Å; L589-L746 HydrophobicContact CD1-CD1 3.82Å; L589-L746 HydrophobicContact CG-CD1 4.35Å; L590-L746 HydrophobicContact CB-CD2 4.18Å; L590-L746 HydrophobicContact CD1-CD2 4.12Å; I674-L746 HydrophobicContact CD1-CD1 4.32Å; I674-L746 HydrophobicContact CG2-CD1 4.1Å; N675-L746 WeakPolarHBondContact O-CB 3.27Å; N675-L746 PolarHBondContact O-N 3.2Å; T676-L746 HydrophobicContact CG2-CD2 3.75Å; T744-L746 VanDerWaalsContact C-N 3.28Å; T744-L746 PolarHBondContact O-N 2.93Å; L746-L749 PolarHBondContact O-N 3.02Å; L746-A750 WeakPolarHBondContact O-CB 3.3Å; L746-A750 PolarHBondContact O-N 2.87Å
747	A	92	Very high	92.5	Very high	24 Å²	24	40.1 Å²	40.1	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-41.1	177.7	0	0	0	0	0	111.8	Y586 A742 T744 I745 A750 K751	Y586-A747 HydrophobicContact CD2-CB 4.42Å; Y586-A747 HydrophobicContact CE2-CB 4.25Å; A742-A747 HydrophobicContact CB-CB 3.54Å; T744-A747 PolarHBondContact O-N 2.82Å; T744-A747 VanDerWaalsContact O-N 3.16Å; T744-A747 VanDerWaalsContact OG1-CB 3.25Å; T744-A747 WeakPolarHBondContact OG1-CB 3.43Å; T744-A747 PolarHBondContact OG1-N 2.84Å; I745-A747 VanDerWaalsContact C-N 3.32Å; I745-A747 PolarHBondContact O-N 3.21Å; A747-A750 PolarHBondContact O-N 3.3Å; A747-K751 WeakPolarHBondContact O-CG 3.29Å; A747-K751 PolarHBondContact O-N 3.04Å
748	S	93.4	Very high	92.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-44.5	173.2	-70.8	0	0	0	0	112.4	P740 T744 I745 A750 K751 H752	P740-S748 VanDerWaalsContact O-CB 3.24Å; P740-S748 WeakPolarHBondContact O-CB 3.42Å; P740-S748 PolarHBondContact O-OG 3.16Å; T744-S748 PolarHBondContact O-N 3.37Å; I745-S748 PolarHBondContact O-N 3.15Å; S748-A750 PolarHBondContact O-N 3.48Å; S748-K751 PolarHBondContact O-N 3.31Å; S748-H752 WeakPolarHBondContact O-CB 3.36Å; S748-H752 PolarHBondContact O-N 3.38Å
749	L	95.4	Very high	92.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-45.4	174.4	174.8	64.6	0	0	0	111.4	L589 L673 I674 W691 M733 I745 L746 K751 H752 L753	L589-L749 HydrophobicContact CD1-CD2 3.97Å; L589-L749 HydrophobicContact CD1-CG 4Å; L589-L749 HydrophobicContact CD2-CD2 4.39Å; L673-L749 HydrophobicContact CB-CD2 4.11Å; I674-L749 HydrophobicContact CD1-CD2 3.64Å; W691-L749 HydrophobicContact CH2-CB 4.47Å; W691-L749 HydrophobicContact CH2-CD1 4.18Å; M733-L749 HydrophobicContact CE-CD1 3.21Å; M733-L749 HydrophobicContact SD-CD1 4.36Å; I745-L749 WeakPolarHBondContact O-CB 3.42Å; I745-L749 PolarHBondContact O-N 2.93Å; L746-L749 PolarHBondContact O-N 3.02Å; L749-K751 PolarHBondContact O-N 2.82Å; L749-H752 PolarHBondContact O-N 3.36Å; L749-L753 HydrophobicContact CD1-CD1 4.06Å; L749-L753 HydrophobicContact CD1-CD2 4.41Å; L749-L753 HydrophobicContact CD1-CG 3.94Å; L749-L753 HydrophobicContact CG-CD1 4.18Å; L749-L753 HydrophobicContact CG-CG 4.36Å; L749-L753 WeakPolarHBondContact O-CG 3.5Å; L749-L753 PolarHBondContact O-N 2.88Å
750	A	94.6	Very high	92.4	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-47.5	178.9	0	0	0	0	0	111.3	P585 Y586 L589 L746 A747 S748 H752 L753 E754	P585-A750 HydrophobicContact CB-CB 4.12Å; P585-A750 WeakPolarHBondContact CG-O 3.38Å; Y586-A750 HydrophobicContact CD2-CB 4.47Å; L589-A750 HydrophobicContact CD1-CB 4.14Å; L746-A750 WeakPolarHBondContact O-CB 3.3Å; L746-A750 PolarHBondContact O-N 2.87Å; A747-A750 PolarHBondContact O-N 3.3Å; S748-A750 PolarHBondContact O-N 3.48Å; A750-H752 VanDerWaalsContact C-N 3.31Å; A750-H752 PolarHBondContact O-N 3.14Å; A750-L753 PolarHBondContact O-N 3.38Å; A750-E754 VanDerWaalsContact O-CB 3.28Å; A750-E754 WeakPolarHBondContact O-CB 3.45Å; A750-E754 PolarHBondContact O-N 2.81Å
751	K	92.6	Very high	92.2	Very high	106 Å²	106	49 Å²	49	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-41.6	175.8	-71.6	-178.6	179.4	-175.1	0	112.1	P740 H741 A747 S748 L749 E754 A755	P740-K751 HydrophobicContact CB-CB 3.79Å; P740-K751 HydrophobicContact CB-CD 4.24Å; P740-K751 HydrophobicContact CG-CB 4.33Å; H741-K751 PolarHBondContact O-NZ 3.04Å; A747-K751 WeakPolarHBondContact O-CG 3.29Å; A747-K751 PolarHBondContact O-N 3.04Å; S748-K751 PolarHBondContact O-N 3.31Å; L749-K751 PolarHBondContact O-N 2.82Å; K751-E754 PolarHBondContact O-N 3.33Å; K751-A755 PolarHBondContact O-N 3.33Å; K751-A755 VanDerWaalsContact O-N 3.1Å
752	H	95.3	Very high	92.3	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.06	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-45.7	179.2	-169.9	80	0	0	0	112.5	W691 L731 P740 S748 L749 A750 A755 K756	W691-H752 AromaticContact CE2-CE1 3.92Å; W691-H752 AromaticContact CE2-CG 3.89Å; W691-H752 AromaticContact CE2-ND1 3.79Å; W691-H752 HydrophobicContact CH2-CB 4.48Å; W691-H752 HydrophobicContact CZ2-CB 3.63Å; W691-H752 AromaticContact CZ2-CD2 3.83Å; W691-H752 AromaticContact CZ2-CG 3.5Å; W691-H752 VanDerWaalsContact CZ2-CG 3.5Å; W691-H752 AromaticContact CZ2-ND1 3.84Å; W691-H752 AromaticContact NE1-CE1 3.21Å; W691-H752 PolarHBondContact NE1-CE1 3.28Å; W691-H752 AromaticContact NE1-CG 3.82Å; W691-H752 AromaticContact NE1-ND1 3.24Å; W691-H752 PolarHBondContact NE1-ND1 3.38Å; W691-H752 AromaticContact NE1-NE2 3.78Å; L731-H752 PolarHBondContact O-NE2 2.82Å; P740-H752 HydrophobicContact CG-CB 3.97Å; S748-H752 WeakPolarHBondContact O-CB 3.36Å; S748-H752 PolarHBondContact O-N 3.38Å; L749-H752 PolarHBondContact O-N 3.36Å; A750-H752 VanDerWaalsContact C-N 3.31Å; A750-H752 PolarHBondContact O-N 3.14Å; H752-A755 PolarHBondContact O-N 2.81Å; H752-K756 WeakPolarHBondContact O-CG 3.35Å; H752-K756 PolarHBondContact O-N 3.12Å; H752-K756 VanDerWaalsContact O-N 3.12Å
753	L	95.9	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-36.9	177.1	-67.2	-173.7	0	0	0	112.1	L577 F581 P585 L589 F668 L731 M733 L749 A750 A755 K756 L757	L577-L753 HydrophobicContact CD1-CD1 4.36Å; F581-L753 HydrophobicContact CE2-CB 3.94Å; F581-L753 HydrophobicContact CE2-CD1 4.4Å; F581-L753 HydrophobicContact CZ-CD1 4.45Å; P585-L753 HydrophobicContact CG-CB 4.27Å; L589-L753 HydrophobicContact CD1-CD1 4.09Å; L589-L753 HydrophobicContact CD2-CD1 3.86Å; L589-L753 HydrophobicContact CG-CD1 4.49Å; F668-L753 HydrophobicContact CE2-CD1 4.36Å; L731-L753 HydrophobicContact CD1-CD2 3.9Å; L731-L753 HydrophobicContact CD2-CD2 3.69Å; L731-L753 HydrophobicContact CG-CD2 4.4Å; M733-L753 HydrophobicContact CE-CD2 3.94Å; L749-L753 HydrophobicContact CD1-CD1 4.06Å; L749-L753 HydrophobicContact CD1-CD2 4.41Å; L749-L753 HydrophobicContact CD1-CG 3.94Å; L749-L753 HydrophobicContact CG-CD1 4.18Å; L749-L753 HydrophobicContact CG-CG 4.36Å; L749-L753 WeakPolarHBondContact O-CG 3.5Å; L749-L753 PolarHBondContact O-N 2.88Å; A750-L753 PolarHBondContact O-N 3.38Å; L753-A755 VanDerWaalsContact C-N 3.33Å; L753-A755 PolarHBondContact O-N 3.37Å; L753-K756 PolarHBondContact O-N 3.39Å; L753-L757 HydrophobicContact CD2-CD1 4.24Å; L753-L757 WeakPolarHBondContact O-CA 3.47Å; L753-L757 VanDerWaalsContact O-CB 3.31Å; L753-L757 WeakPolarHBondContact O-CB 3.34Å; L753-L757 PolarHBondContact O-N 3.07Å
754	E	92.8	Very high	93.1	Very high	83 Å²	83	47.9 Å²	47.9	39%	0.388	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-44	175.3	-173.2	168.2	-170.7	0	0	111.4	P585 A750 K751 S758	P585-E754 HydrophobicContact CG-CB 3.91Å; A750-E754 VanDerWaalsContact O-CB 3.28Å; A750-E754 WeakPolarHBondContact O-CB 3.45Å; A750-E754 PolarHBondContact O-N 2.81Å; K751-E754 PolarHBondContact O-N 3.33Å; E754-S758 WeakPolarHBondContact O-CB 3.31Å; E754-S758 PolarHBondContact O-N 3.25Å
755	A	91.9	Very high	93.3	Very high	78 Å²	78	47.5 Å²	47.5	65%	0.645	26%	0.26	S	S	*	.	H	α-helix	trans	-64.4	-40.4	176.2	0	0	0	0	0	112.6	K751 H752 L753	K751-A755 PolarHBondContact O-N 3.33Å; K751-A755 VanDerWaalsContact O-N 3.1Å; H752-A755 PolarHBondContact O-N 2.81Å; L753-A755 VanDerWaalsContact C-N 3.33Å; L753-A755 PolarHBondContact O-N 3.37Å
756	K	94.3	Very high	93.4	Very high	98 Å²	98	47.4 Å²	47.4	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-83.5	-28.9	-175.6	-69.3	-78.9	-174.7	174.5	0	114.3	L731 H752 L753	L731-K756 HydrophobicContact CD2-CB 4.48Å; H752-K756 WeakPolarHBondContact O-CG 3.35Å; H752-K756 PolarHBondContact O-N 3.12Å; H752-K756 VanDerWaalsContact O-N 3.12Å; L753-K756 PolarHBondContact O-N 3.39Å
757	L	95.8	Very high	93.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	-127	28.3	-167.4	-61.7	174.2	0	0	0	112.8	N575 L577 K580 F581 W730 L731 L753	N575-L757 HydrophobicContact CB-CD2 3.81Å; L577-L757 HydrophobicContact CB-CD1 4.41Å; L577-L757 HydrophobicContact CD1-CD1 3.54Å; L577-L757 HydrophobicContact CG-CD1 4.04Å; K580-L757 CarbonylContact C-O 3.53Å; K580-L757 WeakPolarHBondContact CA-O 3.23Å; K580-L757 WeakPolarHBondContact CB-O 3.43Å; F581-L757 HydrophobicContact CD2-CB 3.89Å; F581-L757 HydrophobicContact CE2-CB 4.18Å; F581-L757 HydrophobicContact CE2-CD1 4.06Å; F581-L757 PolarHBondContact N-O 3Å; W730-L757 HydrophobicContact CH2-CD2 3.8Å; W730-L757 HydrophobicContact CZ3-CD2 3.74Å; L731-L757 HydrophobicContact CD2-CD1 4.3Å; L753-L757 HydrophobicContact CD2-CD1 4.24Å; L753-L757 WeakPolarHBondContact O-CA 3.47Å; L753-L757 VanDerWaalsContact O-CB 3.31Å; L753-L757 WeakPolarHBondContact O-CB 3.34Å; L753-L757 PolarHBondContact O-N 3.07Å
758	S	92.1	Very high	93.7	Very high	58 Å²	58	46.3 Å²	46.3	41%	0.406	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-71.3	158.1	166.6	50.3	0	0	0	0	111.3	E754 A760	E754-S758 WeakPolarHBondContact O-CB 3.31Å; E754-S758 PolarHBondContact O-N 3.25Å; S758-A760 PolarHBondContact O-N 2.89Å
759	F	91.1	Very high	93.9	Very high	53 Å²	53	46.3 Å²	46.3	23%	0.232	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-70.8	127.4	172.2	-76.4	-89.5	0	0	0	110.3	P568 K580 E763 D765	P568-F759 HydrophobicContact CB-CE1 4.05Å; P568-F759 HydrophobicContact CB-CZ 4.19Å; K580-F759 HydrophobicContact CB-CD1 4.31Å; K580-F759 HydrophobicContact CB-CD2 3.88Å; K580-F759 HydrophobicContact CB-CE1 4.02Å; K580-F759 HydrophobicContact CB-CE2 3.55Å; K580-F759 HydrophobicContact CB-CG 4.26Å; K580-F759 HydrophobicContact CB-CZ 3.63Å; K580-F759 HydrophobicContact CD-CD1 4.08Å; K580-F759 HydrophobicContact CD-CE1 4.26Å; K580-F759 HydrophobicContact CD-CG 4.37Å; F759-E763 WeakPolarHBondContact CA-OE2 3.23Å; F759-E763 HydrophobicContact CD1-CB 4.02Å; F759-D765 HydrophobicContact CE1-CB 3.97Å; F759-D765 HydrophobicContact CE2-CB 4.38Å; F759-D765 HydrophobicContact CZ-CB 3.63Å
760	A	90.6	Very high	93.9	Very high	55 Å²	55	47.1 Å²	47.1	46%	0.455	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-79	162.4	172.4	0	0	0	0	0	110.9	S758 G762 E763	S758-A760 PolarHBondContact O-N 2.89Å; A760-G762 PolarHBondContact O-N 2.85Å; A760-E763 HydrophobicContact CB-CG 4.08Å; A760-E763 PolarHBondContact N-OE2 3.47Å; A760-E763 WeakPolarHBondContact O-CB 3.24Å; A760-E763 PolarHBondContact O-N 2.84Å; A760-E763 VanDerWaalsContact O-N 3.1Å
761	K	88.1	Confident	94	Very high	218 Å²	218	47 Å²	47	95%	0.948	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	128.5	175.3	-174.3	178.1	-179	178.4	0	110.3	E763	K761-E763 VanDerWaalsContact C-N 3.35Å
762	G	89.3	Confident	94.1	Very high	56 Å²	56	43.6 Å²	43.6	58%	0.577	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	5.7	-179.1	0	0	0	0	0	114.4	A760 L795	A760-G762 PolarHBondContact O-N 2.85Å; G762-L795 WeakPolarHBondContact O-CD2 3.49Å
763	E	94	Very high	94.2	Very high	54 Å²	54	43 Å²	43	25%	0.252	24%	0.236	S	C	.	.			trans	-92	158.7	167	-62.2	-174.1	145	0	0	111	C572 K580 F759 A760 K761	C572-E763 HydrophobicContact CB-CB 4.37Å; C572-E763 HydrophobicContact CB-CG 4.48Å; K580-E763 WeakPolarHBondContact CD-OE2 3.29Å; K580-E763 IonicContact NZ-OE1 3.37Å; K580-E763 PolarHBondContact NZ-OE1 3.36Å; K580-E763 IonicContact NZ-OE2 2.85Å; K580-E763 PolarHBondContact NZ-OE2 3.03Å; F759-E763 WeakPolarHBondContact CA-OE2 3.23Å; F759-E763 HydrophobicContact CD1-CB 4.02Å; A760-E763 HydrophobicContact CB-CG 4.08Å; A760-E763 PolarHBondContact N-OE2 3.47Å; A760-E763 WeakPolarHBondContact O-CB 3.24Å; A760-E763 PolarHBondContact O-N 2.84Å; A760-E763 VanDerWaalsContact O-N 3.1Å; K761-E763 VanDerWaalsContact C-N 3.35Å
764	R	94.6	Very high	94.3	Very high	86 Å²	86	43 Å²	43	33%	0.325	24%	0.236	S	C	.	.			trans	-134.6	150.1	179.4	58.8	178.2	-175.7	175.7	2.4	111.4	A569 E571 G793 L795	A569-R764 HydrophobicContact CB-CG 3.74Å; A569-R764 WeakPolarHBondContact CB-O 3.44Å; A569-R764 PolarHBondContact N-O 3.41Å; E571-R764 IonicContact OE1-CZ 2.8Å; E571-R764 IonicContact OE1-NE 2.62Å; E571-R764 PolarHBondContact OE1-NE 2.92Å; E571-R764 IonicContact OE1-NH2 3.87Å; E571-R764 PolarHBondContact OE1-NH2 3.3Å; R764-G793 WeakPolarHBondContact CD-O 3.49Å; R764-L795 HydrophobicContact CB-CD2 4.37Å
765	D	96.2	Very high	94.5	Very high	9 Å²	9	39 Å²	39	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	176.5	172.8	70.8	-32.8	0	0	0	111.5	L567 F759 G793 S799 A800 M801	L567-D765 CarbonylContact O-C 3.57Å; L567-D765 WeakPolarHBondContact O-CA 3.49Å; L567-D765 WeakPolarHBondContact O-CB 3.43Å; F759-D765 HydrophobicContact CE1-CB 3.97Å; F759-D765 HydrophobicContact CE2-CB 4.38Å; F759-D765 HydrophobicContact CZ-CB 3.63Å; D765-G793 PolarHBondContact O-N 3.39Å; D765-G793 WeakPolarHBondContact OD1-CA 3.4Å; D765-S799 VanDerWaalsContact OD1-CA 3.23Å; D765-S799 WeakPolarHBondContact OD1-CA 3.49Å; D765-S799 WeakPolarHBondContact OD1-CB 3.19Å; D765-S799 WeakPolarHBondContact OD2-CB 3.2Å; D765-A800 VanDerWaalsContact CG-N 3.3Å; D765-A800 PolarHBondContact OD1-N 3.38Å; D765-A800 PolarHBondContact OD2-N 3.25Å; D765-A800 VanDerWaalsContact OD2-N 3.14Å; D765-M801 WeakPolarHBondContact OD2-CB 3.41Å; D765-M801 PolarHBondContact OD2-N 3.13Å
766	L	96.4	Very high	94.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	131.6	-175.1	174.6	61.9	0	0	0	109.1	G566 L567 F626 I768 V790 V791 Y792	G566-L766 CarbonylContact C-O 3.55Å; G566-L766 WeakPolarHBondContact CA-O 3.47Å; L567-L766 PolarHBondContact N-O 2.67Å; L567-L766 PolarHBondContact O-N 3.3Å; F626-L766 HydrophobicContact CD1-CD2 4.39Å; F626-L766 HydrophobicContact CE1-CD2 3.59Å; F626-L766 HydrophobicContact CZ-CD2 3.96Å; L766-I768 HydrophobicContact CD1-CG1 4.28Å; L766-I768 HydrophobicContact CD2-CD1 3.84Å; L766-I768 HydrophobicContact CD2-CG1 3.9Å; L766-I768 HydrophobicContact CG-CD1 4.37Å; L766-I768 HydrophobicContact CG-CG1 3.86Å; L766-V790 HydrophobicContact CD1-CG1 3.72Å; L766-V791 CarbonylContact C-O 3.6Å; L766-V791 WeakPolarHBondContact CA-O 3.29Å; L766-V791 WeakPolarHBondContact CD1-O 3.14Å; L766-Y792 HydrophobicContact CD1-CD1 3.99Å; L766-Y792 HydrophobicContact CD1-CD2 3.8Å; L766-Y792 HydrophobicContact CD1-CE1 3.86Å; L766-Y792 HydrophobicContact CD1-CE2 3.64Å; L766-Y792 HydrophobicContact CD1-CG 3.98Å; L766-Y792 HydrophobicContact CD2-CE1 4.31Å; L766-Y792 HydrophobicContact CG-CE1 4.5Å
767	I	97.1	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	163.5	-62.7	-52.1	0	0	0	108.6	L534 G565 G566 V790 V791 A800 M801 T804	L534-I767 HydrophobicContact CD1-CG2 3.76Å; L534-I767 HydrophobicContact CD2-CD1 3.53Å; L534-I767 HydrophobicContact CD2-CG1 3.98Å; L534-I767 HydrophobicContact CD2-CG2 3.72Å; L534-I767 HydrophobicContact CG-CG2 4.4Å; G565-I767 WeakPolarHBondContact O-CA 3.4Å; G566-I767 VanDerWaalsContact CA-CD1 3.45Å; I767-V790 VanDerWaalsContact O-CA 3.32Å; I767-V790 WeakPolarHBondContact O-CA 3.45Å; I767-V791 HydrophobicContact CB-CB 4.3Å; I767-V791 PolarHBondContact N-O 3.07Å; I767-V791 PolarHBondContact O-N 3.49Å; I767-A800 HydrophobicContact CB-CB 4.36Å; I767-A800 HydrophobicContact CG1-CB 3.74Å; I767-M801 HydrophobicContact CD1-CB 4.3Å; I767-M801 HydrophobicContact CD1-CE 3.56Å; I767-M801 HydrophobicContact CD1-SD 4.21Å; I767-T804 HydrophobicContact CG1-CG2 4.17Å
768	I	97	Very high	94.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.4	166.8	-54.1	-178.5	0	0	0	107.9	C564 G565 L567 F622 F623 F626 L628 L656 L766	C564-I768 CarbonylContact C-O 3.56Å; C564-I768 WeakPolarHBondContact CA-O 3.06Å; G565-I768 PolarHBondContact N-O 3.14Å; G565-I768 PolarHBondContact O-N 2.99Å; L567-I768 HydrophobicContact CD1-CD1 4.29Å; F622-I768 HydrophobicContact CE2-CG2 4.48Å; F623-I768 HydrophobicContact CD2-CG2 3.93Å; F623-I768 HydrophobicContact CE2-CG2 3.56Å; F626-I768 HydrophobicContact CD1-CD1 4.14Å; F626-I768 HydrophobicContact CD2-CD1 3.86Å; F626-I768 HydrophobicContact CE1-CD1 4.2Å; F626-I768 HydrophobicContact CE2-CD1 3.96Å; F626-I768 HydrophobicContact CG-CD1 3.98Å; F626-I768 HydrophobicContact CZ-CD1 4.13Å; L628-I768 HydrophobicContact CD1-CD1 4Å; L628-I768 HydrophobicContact CD1-CG2 4.43Å; L628-I768 HydrophobicContact CD2-CD1 4.02Å; L656-I768 HydrophobicContact CD1-CB 4.23Å; L656-I768 HydrophobicContact CD1-CG2 3.91Å; L766-I768 HydrophobicContact CD1-CG1 4.28Å; L766-I768 HydrophobicContact CD2-CD1 3.84Å; L766-I768 HydrophobicContact CD2-CG1 3.9Å; L766-I768 HydrophobicContact CG-CD1 4.37Å; L766-I768 HydrophobicContact CG-CG1 3.86Å
769	M	97.1	Very high	94.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.2	170.2	178.8	-172.9	-70.8	0	0	109.9	L534 I538 D539 L542 F563 C564 S788 L789	L534-M769 HydrophobicContact CD1-CE 3.53Å; L534-M769 HydrophobicContact CG-CE 4.22Å; L534-M769 WeakPolarHBondContact O-CE 3.49Å; I538-M769 HydrophobicContact CB-CE 4.43Å; I538-M769 HydrophobicContact CG2-CE 4.42Å; I538-M769 HydrophobicContact CG2-SD 4.27Å; D539-M769 HydrophobicContact CB-CE 3.71Å; D539-M769 HydrophobicContact CB-SD 4.11Å; L542-M769 HydrophobicContact CD1-SD 4.02Å; F563-M769 CarbonylContact O-C 3.48Å; F563-M769 WeakPolarHBondContact O-CA 3.27Å; C564-M769 HydrophobicContact CB-CB 4.41Å; C564-M769 HydrophobicContact CB-CE 4.17Å; C564-M769 HydrophobicContact CB-CG 4.29Å; C564-M769 VanDerWaalsContact SG-CE 3.53Å; M769-S788 WeakPolarHBondContact O-CA 3.2Å; M769-L789 HydrophobicContact CB-CB 4.25Å; M769-L789 PolarHBondContact N-O 3.44Å; M769-L789 PolarHBondContact O-N 2.99Å
770	R	95.9	Very high	94.3	Very high	17 Å²	17	43 Å²	43	6%	0.064	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.6	177.5	179.4	60.1	179.6	-137	-22	110.6	S562 F563 F622 D772 Q786 I787 S788	S562-R770 CarbonylContact C-O 3.51Å; S562-R770 WeakPolarHBondContact CA-O 3.36Å; F563-R770 PolarHBondContact N-O 3.39Å; F563-R770 PolarHBondContact O-N 3.02Å; F622-R770 HydrophobicContact CD1-CG 4.26Å; F622-R770 HydrophobicContact CD2-CB 4.34Å; F622-R770 HydrophobicContact CD2-CG 4.16Å; F622-R770 HydrophobicContact CE1-CB 4.34Å; F622-R770 HydrophobicContact CE1-CG 4.28Å; F622-R770 HydrophobicContact CE2-CB 3.92Å; F622-R770 HydrophobicContact CE2-CG 4.22Å; F622-R770 HydrophobicContact CG-CG 4.2Å; F622-R770 HydrophobicContact CZ-CB 3.92Å; F622-R770 HydrophobicContact CZ-CG 4.28Å; R770-D772 IonicContact CZ-OD1 3.22Å; R770-D772 VanDerWaalsContact CZ-OD1 3.22Å; R770-D772 IonicContact NE-OD1 3.96Å; R770-D772 PolarHBondContact NE-OD1 3.45Å; R770-D772 IonicContact NE-OD2 3.96Å; R770-D772 IonicContact NH2-OD1 2.75Å; R770-D772 PolarHBondContact NH2-OD1 3.32Å; R770-Q786 VanDerWaalsContact CZ-CB 3.42Å; R770-I787 CarbonylContact C-O 3.4Å; R770-I787 WeakPolarHBondContact CA-O 3.49Å; R770-I787 WeakPolarHBondContact CD-O 3.2Å; R770-S788 WeakPolarHBondContact CD-OG 3.16Å; R770-S788 PolarHBondContact NH1-OG 3.42Å
771	N	95.9	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127	167.3	-61.2	-10.9	0	0	0	109.2	S561 S562 I787	S561-N771 CarbonylContact O-C 3.5Å; S561-N771 VanDerWaalsContact O-CA 3.3Å; S561-N771 WeakPolarHBondContact O-CA 3.43Å; S562-N771 WeakPolarHBondContact CB-OD1 3.38Å; S562-N771 PolarHBondContact OG-OD1 2.93Å; N771-I787 HydrophobicContact CB-CB 4.27Å; N771-I787 PolarHBondContact N-O 3.32Å; N771-I787 PolarHBondContact O-N 3.25Å
772	D	95.8	Very high	94.7	Very high	34 Å²	34	35.7 Å²	35.7	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.8	169.1	-67.4	-35	0	0	0	108.6	Y560 S561 R770 M784 R785 Q786	Y560-D772 WeakPolarHBondContact CA-O 3.42Å; S561-D772 PolarHBondContact N-O 2.85Å; S561-D772 PolarHBondContact O-N 3.48Å; R770-D772 IonicContact CZ-OD1 3.22Å; R770-D772 VanDerWaalsContact CZ-OD1 3.22Å; R770-D772 IonicContact NE-OD1 3.96Å; R770-D772 PolarHBondContact NE-OD1 3.45Å; R770-D772 IonicContact NE-OD2 3.96Å; R770-D772 IonicContact NH2-OD1 2.75Å; R770-D772 PolarHBondContact NH2-OD1 3.32Å; D772-M784 HydrophobicContact CB-CE 4.21Å; D772-R785 WeakPolarHBondContact CA-O 3.35Å; D772-Q786 WeakPolarHBondContact OD1-CG 3.44Å
773	V	96.9	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.3	-178.2	-168	0	0	0	0	108.9	C546 V557 S559 Y560 I775 R785	C546-V773 HydrophobicContact CB-CG2 4.49Å; V557-V773 HydrophobicContact CG1-CG1 3.81Å; V557-V773 HydrophobicContact CG2-CG1 4.38Å; S559-V773 CarbonylContact O-C 3.46Å; S559-V773 WeakPolarHBondContact O-CA 3.37Å; Y560-V773 HydrophobicContact CD2-CG2 3.98Å; Y560-V773 HydrophobicContact CE2-CG2 4.39Å; V773-I775 HydrophobicContact CB-CG1 4.48Å; V773-I775 HydrophobicContact CG1-CD1 4.36Å; V773-I775 HydrophobicContact CG1-CG1 3.91Å; V773-R785 PolarHBondContact N-O 3.02Å; V773-R785 PolarHBondContact O-N 3.19Å
774	G	96.9	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.8	173	0	0	0	0	0	110.5	V557 E558 S559 E783 M784	V557-G774 CarbonylContact C-O 3.59Å; V557-G774 WeakPolarHBondContact CA-O 3.5Å; E558-G774 PolarHBondContact N-O 3.41Å; S559-G774 PolarHBondContact N-O 2.97Å; S559-G774 PolarHBondContact O-N 3.26Å; S559-G774 WeakPolarHBondContact OG-CA 3.32Å; S559-G774 PolarHBondContact OG-N 2.98Å; G774-E783 WeakPolarHBondContact CA-O 3.47Å; G774-M784 VanDerWaalsContact CA-SD 3.55Å
775	I	96.9	Very high	95.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.1	-172.3	-59	168.5	0	0	0	108.6	A550 C555 V773 E783 R785	A550-I775 HydrophobicContact CB-CD1 3.97Å; A550-I775 HydrophobicContact CB-CG1 4.17Å; A550-I775 HydrophobicContact CB-CG2 3.94Å; C555-I775 HydrophobicContact CB-CG2 3.31Å; V773-I775 HydrophobicContact CB-CG1 4.48Å; V773-I775 HydrophobicContact CG1-CD1 4.36Å; V773-I775 HydrophobicContact CG1-CG1 3.91Å; I775-E783 HydrophobicContact CB-CB 4.35Å; I775-E783 PolarHBondContact N-O 2.98Å; I775-E783 PolarHBondContact O-N 3.43Å; I775-R785 HydrophobicContact CD1-CB 3.89Å
776	R	96.1	Very high	95.1	Very high	72 Å²	72	31.6 Å²	31.6	27%	0.272	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.2	173.5	-176.8	66.3	61.3	-170.9	-7.6	110.1	C555 T556 E558 G780	C555-R776 CarbonylContact C-O 3.53Å; C555-R776 VanDerWaalsContact CA-O 3.27Å; C555-R776 WeakPolarHBondContact CA-O 3.3Å; C555-R776 VanDerWaalsContact CB-O 3.28Å; C555-R776 WeakPolarHBondContact CB-O 3.35Å; T556-R776 PolarHBondContact N-O 3.28Å; T556-R776 PolarHBondContact O-N 2.85Å; E558-R776 HydrophobicContact CG-CB 3.95Å; E558-R776 WeakPolarHBondContact OE1-CB 3.45Å; E558-R776 WeakPolarHBondContact OE1-CG 3.31Å; E558-R776 IonicContact OE1-CZ 3.63Å; E558-R776 IonicContact OE1-NE 2.84Å; E558-R776 PolarHBondContact OE1-NE 3.49Å; E558-R776 IonicContact OE1-NH2 3.54Å; E558-R776 IonicContact OE2-CZ 3.47Å; E558-R776 IonicContact OE2-NE 3.34Å; E558-R776 PolarHBondContact OE2-NE 3.48Å; E558-R776 IonicContact OE2-NH2 2.76Å; E558-R776 PolarHBondContact OE2-NH2 3.43Å; R776-G780 VanDerWaalsContact CD-O 3.29Å; R776-G780 WeakPolarHBondContact CD-O 3.48Å; R776-G780 PolarHBondContact NH1-O 3.25Å
777	H	93.6	Very high	95.1	Very high	45 Å²	45	32 Å²	32	21%	0.208	17%	0.174	C	C	.	.			trans	-75.1	153.5	174.9	-74.8	-97.1	0	0	0	111.3	C555 T779 G780 E781 E783	C555-H777 PolarHBondContact SG-ND1 3.02Å; C555-H777 VanDerWaalsContact SG-ND1 3.42Å; H777-T779 WeakPolarHBondContact CB-OG1 3.29Å; H777-T779 PolarHBondContact O-N 2.97Å; H777-T779 VanDerWaalsContact O-N 3.1Å; H777-G780 PolarHBondContact O-N 3.2Å; H777-E781 HydrophobicContact CB-CB 4.47Å; H777-E781 PolarHBondContact N-O 3.06Å; H777-E783 IonicContact CD2-OE2 3.98Å; H777-E783 IonicContact CE1-OE2 3.51Å; H777-E783 IonicContact NE2-OE2 2.81Å; H777-E783 PolarHBondContact NE2-OE2 3.13Å
778	P	91.8	Very high	95.1	Very high	104 Å²	104	32.5 Å²	32.5	68%	0.675	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.8	173.3	-25.4	34	0	0	0	113.9	G554 G780	G554-P778 WeakPolarHBondContact O-CG 3.28Å; P778-G780 PolarHBondContact O-N 3.1Å
779	T	90.3	Very high	95.1	Very high	110 Å²	110	32.5 Å²	32.5	68%	0.675	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.1	175.9	54.3	0	0	0	0	113.3	H777	H777-T779 WeakPolarHBondContact CB-OG1 3.29Å; H777-T779 PolarHBondContact O-N 2.97Å; H777-T779 VanDerWaalsContact O-N 3.1Å
780	G	89.6	Confident	95	Very high	40 Å²	40	35 Å²	35	41%	0.412	19%	0.192	S	C	.	.	S	Bend	trans	100	-14.3	-178.9	0	0	0	0	0	114.5	R776 H777 P778	R776-G780 VanDerWaalsContact CD-O 3.29Å; R776-G780 WeakPolarHBondContact CD-O 3.48Å; R776-G780 PolarHBondContact NH1-O 3.25Å; H777-G780 PolarHBondContact O-N 3.2Å; P778-G780 PolarHBondContact O-N 3.1Å
781	E	93.1	Very high	95.1	Very high	95 Å²	95	34.9 Å²	34.9	44%	0.444	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-65.1	140.8	178.9	-65.6	172.1	-164.6	0	0	111.8	H777 L855	H777-E781 HydrophobicContact CB-CB 4.47Å; H777-E781 PolarHBondContact N-O 3.06Å; E781-L855 HydrophobicContact CB-CD2 4.41Å
782	L	94.3	Very high	95	Very high	25 Å²	25	38.6 Å²	38.6	13%	0.131	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.6	173.1	-176.5	60.3	0	0	0	109.9	Q856	L782-Q856 HydrophobicContact CB-CB 4.38Å; L782-Q856 PolarHBondContact N-O 2.87Å; L782-Q856 PolarHBondContact O-N 2.8Å
783	E	95.2	Very high	95	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.4	172.4	-176.1	-167.3	161.2	0	0	110.2	G774 I775 H777 R785 S853 L855	G774-E783 WeakPolarHBondContact CA-O 3.47Å; I775-E783 HydrophobicContact CB-CB 4.35Å; I775-E783 PolarHBondContact N-O 2.98Å; I775-E783 PolarHBondContact O-N 3.43Å; H777-E783 IonicContact CD2-OE2 3.98Å; H777-E783 IonicContact CE1-OE2 3.51Å; H777-E783 IonicContact NE2-OE2 2.81Å; H777-E783 PolarHBondContact NE2-OE2 3.13Å; E783-R785 VanDerWaalsContact CD-NH2 3.34Å; E783-R785 IonicContact OE1-CZ 3.24Å; E783-R785 VanDerWaalsContact OE1-CZ 3.24Å; E783-R785 IonicContact OE1-NE 2.83Å; E783-R785 PolarHBondContact OE1-NE 3.09Å; E783-R785 IonicContact OE1-NH2 2.81Å; E783-R785 PolarHBondContact OE1-NH2 2.9Å; E783-R785 IonicContact OE2-NH2 3.08Å; E783-R785 PolarHBondContact OE2-NH2 3.04Å; E783-R785 VanDerWaalsContact OE2-NH2 3.08Å; E783-S853 WeakPolarHBondContact OE1-CB 3.43Å; E783-S853 PolarHBondContact OE1-OG 3.04Å; E783-L855 HydrophobicContact CB-CD2 3.91Å; E783-L855 HydrophobicContact CG-CD2 4.28Å
784	M	96.1	Very high	94.7	Very high	32 Å²	32	42.2 Å²	42.2	16%	0.158	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	105	164.7	-68.4	-56.3	-55	0	0	109.5	D772 G774 I854	D772-M784 HydrophobicContact CB-CE 4.21Å; G774-M784 VanDerWaalsContact CA-SD 3.55Å; M784-I854 HydrophobicContact CB-CB 4.49Å; M784-I854 PolarHBondContact N-O 3.47Å; M784-I854 PolarHBondContact O-N 2.97Å
785	R	96.1	Very high	94.3	Very high	40 Å²	40	47.2 Å²	47.2	15%	0.151	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.4	176.1	-168.1	167	-66.8	173.1	2.8	110.6	C546 D772 V773 I775 E783	C546-R785 VanDerWaalsContact SG-CD 3.58Å; D772-R785 WeakPolarHBondContact CA-O 3.35Å; V773-R785 PolarHBondContact N-O 3.02Å; V773-R785 PolarHBondContact O-N 3.19Å; I775-R785 HydrophobicContact CD1-CB 3.89Å; E783-R785 VanDerWaalsContact CD-NH2 3.34Å; E783-R785 IonicContact OE1-CZ 3.24Å; E783-R785 VanDerWaalsContact OE1-CZ 3.24Å; E783-R785 IonicContact OE1-NE 2.83Å; E783-R785 PolarHBondContact OE1-NE 3.09Å; E783-R785 IonicContact OE1-NH2 2.81Å; E783-R785 PolarHBondContact OE1-NH2 2.9Å; E783-R785 IonicContact OE2-NH2 3.08Å; E783-R785 PolarHBondContact OE2-NH2 3.04Å; E783-R785 VanDerWaalsContact OE2-NH2 3.08Å
786	Q	95.8	Very high	93.7	Very high	38 Å²	38	55.6 Å²	55.6	18%	0.178	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107.9	-166	-67.4	-166.2	-17.6	0	0	109.4	R770 D772 S851 K852	R770-Q786 VanDerWaalsContact CZ-CB 3.42Å; D772-Q786 WeakPolarHBondContact OD1-CG 3.44Å; Q786-S851 CarbonylContact O-C 3.49Å; Q786-S851 WeakPolarHBondContact O-CA 3.38Å; Q786-K852 HydrophobicContact CB-CB 4.26Å; Q786-K852 VanDerWaalsContact CB-O 3.26Å; Q786-K852 WeakPolarHBondContact CB-O 3.49Å; Q786-K852 PolarHBondContact N-O 3.28Å; Q786-K852 PolarHBondContact O-N 3.36Å
787	I	96.7	Very high	93.4	Very high	9 Å²	9	54 Å²	54	5%	0.046	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.4	-175.5	-54	167.8	0	0	0	109	L542 C546 R770 N771 I849 I850	L542-I787 HydrophobicContact CB-CG2 4.42Å; L542-I787 HydrophobicContact CD1-CG2 4.16Å; L542-I787 HydrophobicContact CD2-CG2 4.31Å; C546-I787 HydrophobicContact CB-CD1 3.58Å; R770-I787 CarbonylContact C-O 3.4Å; R770-I787 WeakPolarHBondContact CA-O 3.49Å; R770-I787 WeakPolarHBondContact CD-O 3.2Å; N771-I787 HydrophobicContact CB-CB 4.27Å; N771-I787 PolarHBondContact N-O 3.32Å; N771-I787 PolarHBondContact O-N 3.25Å; I787-I849 HydrophobicContact CG2-CG2 3.66Å; I787-I850 CarbonylContact C-O 3.55Å; I787-I850 WeakPolarHBondContact CA-O 3.48Å
788	S	95.8	Very high	93.3	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.063	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.9	-171.1	-63.9	0	0	0	0	112	M769 R770 I850	M769-S788 WeakPolarHBondContact O-CA 3.2Å; R770-S788 WeakPolarHBondContact CD-OG 3.16Å; R770-S788 PolarHBondContact NH1-OG 3.42Å; S788-I850 PolarHBondContact N-O 3.09Å; S788-I850 PolarHBondContact O-N 2.99Å
789	L	96.5	Very high	93.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.2	173.3	173.9	69	0	0	0	108.1	I538 M769 V791 L847 H848 I849	I538-L789 HydrophobicContact CD1-CD2 4.42Å; I538-L789 HydrophobicContact CG2-CD2 3.86Å; M769-L789 HydrophobicContact CB-CB 4.25Å; M769-L789 PolarHBondContact N-O 3.44Å; M769-L789 PolarHBondContact O-N 2.99Å; L789-V791 HydrophobicContact CD1-CG2 3.61Å; L789-V791 HydrophobicContact CD2-CG2 4.43Å; L789-V791 HydrophobicContact CG-CG2 3.9Å; L789-L847 HydrophobicContact CD1-CB 4.25Å; L789-H848 WeakPolarHBondContact CD1-O 3.45Å; L789-I849 HydrophobicContact CD1-CG1 4.23Å
790	V	96.2	Very high	93.7	Very high	53 Å²	53	45 Å²	45	32%	0.321	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.4	175.7	-176.9	0	0	0	0	108	F623 F626 L766 I767 Y792	F623-V790 HydrophobicContact CE2-CG2 4.34Å; F623-V790 HydrophobicContact CZ-CG2 4.25Å; F626-V790 HydrophobicContact CZ-CG1 4.48Å; L766-V790 HydrophobicContact CD1-CG1 3.72Å; I767-V790 VanDerWaalsContact O-CA 3.32Å; I767-V790 WeakPolarHBondContact O-CA 3.45Å; V790-Y792 HydrophobicContact CG1-CD2 4.41Å; V790-Y792 HydrophobicContact CG1-CE2 3.92Å
791	V	96.8	Very high	93.9	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.085	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	-176.4	-174.7	0	0	0	0	109.4	L766 I767 L789 A800 T804 L847	L766-V791 CarbonylContact C-O 3.6Å; L766-V791 WeakPolarHBondContact CA-O 3.29Å; L766-V791 WeakPolarHBondContact CD1-O 3.14Å; I767-V791 HydrophobicContact CB-CB 4.3Å; I767-V791 PolarHBondContact N-O 3.07Å; I767-V791 PolarHBondContact O-N 3.49Å; L789-V791 HydrophobicContact CD1-CG2 3.61Å; L789-V791 HydrophobicContact CD2-CG2 4.43Å; L789-V791 HydrophobicContact CG-CG2 3.9Å; V791-A800 HydrophobicContact CB-CB 4.13Å; V791-A800 HydrophobicContact CG1-CB 3.87Å; V791-A800 WeakPolarHBondContact O-CB 3.35Å; V791-T804 HydrophobicContact CB-CG2 4.37Å; V791-T804 HydrophobicContact CG2-CG2 4.08Å; V791-L847 HydrophobicContact CG2-CG 4.4Å
792	Y	95.7	Very high	94	Very high	79 Å²	79	39.8 Å²	39.8	31%	0.31	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144.8	172.1	-74.6	-97.3	0	0	0	111.1	A569 F626 L766 V790 K803	A569-Y792 HydrophobicContact CB-CD1 4.04Å; A569-Y792 HydrophobicContact CB-CE1 3.97Å; F626-Y792 WeakPolarHBondContact CZ-OH 3.05Å; L766-Y792 HydrophobicContact CD1-CD1 3.99Å; L766-Y792 HydrophobicContact CD1-CD2 3.8Å; L766-Y792 HydrophobicContact CD1-CE1 3.86Å; L766-Y792 HydrophobicContact CD1-CE2 3.64Å; L766-Y792 HydrophobicContact CD1-CG 3.98Å; L766-Y792 HydrophobicContact CD2-CE1 4.31Å; L766-Y792 HydrophobicContact CG-CE1 4.5Å; V790-Y792 HydrophobicContact CG1-CD2 4.41Å; V790-Y792 HydrophobicContact CG1-CE2 3.92Å; Y792-K803 PolarHBondContact O-NZ 3.28Å
793	G	94.3	Very high	94.1	Very high	5 Å²	5	39.4 Å²	39.4	5%	0.052	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-66.8	149.3	169.5	0	0	0	0	0	111.3	R764 D765	R764-G793 WeakPolarHBondContact CD-O 3.49Å; D765-G793 PolarHBondContact O-N 3.39Å; D765-G793 WeakPolarHBondContact OD1-CA 3.4Å
794	E	91.9	Very high	94.2	Very high	104 Å²	104	39 Å²	39	49%	0.486	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-92.1	132.2	176.1	-73.7	156.9	-141.2	0	0	110.5	N796 G797 F798 K803	E794-N796 VanDerWaalsContact C-N 3.27Å; E794-N796 PolarHBondContact O-N 2.8Å; E794-G797 PolarHBondContact O-N 3.17Å; E794-F798 PolarHBondContact N-O 2.95Å; E794-K803 IonicContact OE1-NZ 3.33Å; E794-K803 PolarHBondContact OE1-NZ 2.89Å
795	L	87.3	Confident	94.2	Very high	106 Å²	106	38.4 Å²	38.4	56%	0.555	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.6	-177.8	-68.5	173.1	0	0	0	113.4	G762 R764	G762-L795 WeakPolarHBondContact O-CD2 3.49Å; R764-L795 HydrophobicContact CB-CD2 4.37Å
796	N	85.4	Confident	94.3	Very high	176 Å²	176	36.5 Å²	36.5	94%	0.941	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	22.7	179	-63.6	-35.9	0	0	0	111.8	E794	E794-N796 VanDerWaalsContact C-N 3.27Å; E794-N796 PolarHBondContact O-N 2.8Å
797	G	88.7	Confident	94.4	Very high	40 Å²	40	35.5 Å²	35.5	41%	0.412	19%	0.194	S	C	.	.	S	Bend	trans	-140.8	-147.9	-174.6	0	0	0	0	0	111.4	E794	E794-G797 PolarHBondContact O-N 3.17Å
798	F	92.8	Very high	94.5	Very high	35 Å²	35	35.1 Å²	35.1	15%	0.154	19%	0.191	C	C	.	.			trans	-85.7	145.7	179.8	-61.9	-55.6	0	0	0	112.1	G423 P424 E427 Y454 E794 A802 K803	G423-F798 VanDerWaalsContact C-CZ 3.44Å; P424-F798 HydrophobicContact CB-CD2 4.28Å; P424-F798 HydrophobicContact CB-CE2 4.23Å; P424-F798 HydrophobicContact CG-CB 4.07Å; P424-F798 HydrophobicContact CG-CD1 3.82Å; P424-F798 HydrophobicContact CG-CD2 3.73Å; P424-F798 HydrophobicContact CG-CE1 4.1Å; P424-F798 HydrophobicContact CG-CE2 3.99Å; P424-F798 HydrophobicContact CG-CG 3.62Å; P424-F798 HydrophobicContact CG-CZ 4.15Å; E427-F798 HydrophobicContact CB-CE2 3.98Å; E427-F798 HydrophobicContact CB-CZ 3.86Å; E427-F798 HydrophobicContact CG-CE2 4.01Å; E427-F798 HydrophobicContact CG-CZ 4.2Å; Y454-F798 VanDerWaalsContact OH-CZ 3.26Å; Y454-F798 WeakPolarHBondContact OH-CZ 3.48Å; E794-F798 PolarHBondContact N-O 2.95Å; F798-A802 HydrophobicContact CB-CB 4.36Å; F798-K803 HydrophobicContact CB-CD 4.25Å; F798-K803 HydrophobicContact CB-CG 3.65Å
799	S	94.3	Very high	94.6	Very high	33 Å²	33	34.7 Å²	34.7	23%	0.231	19%	0.188	C	C	.	.			trans	-62.8	154	169.5	73.1	0	0	0	0	110.5	D765 M801 A802 K803	D765-S799 VanDerWaalsContact OD1-CA 3.23Å; D765-S799 WeakPolarHBondContact OD1-CA 3.49Å; D765-S799 WeakPolarHBondContact OD1-CB 3.19Å; D765-S799 WeakPolarHBondContact OD2-CB 3.2Å; S799-M801 PolarHBondContact O-N 2.87Å; S799-A802 PolarHBondContact O-N 2.8Å; S799-A802 WeakPolarHBondContact OG-CB 3.46Å; S799-A802 PolarHBondContact OG-N 3.37Å; S799-K803 WeakPolarHBondContact O-CG 3.03Å; S799-K803 PolarHBondContact O-N 2.82Å
800	A	95.8	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-40.1	175.9	0	0	0	0	0	111.1	D765 I767 V791 K803 T804	D765-A800 VanDerWaalsContact CG-N 3.3Å; D765-A800 PolarHBondContact OD1-N 3.38Å; D765-A800 PolarHBondContact OD2-N 3.25Å; D765-A800 VanDerWaalsContact OD2-N 3.14Å; I767-A800 HydrophobicContact CB-CB 4.36Å; I767-A800 HydrophobicContact CG1-CB 3.74Å; V791-A800 HydrophobicContact CB-CB 4.13Å; V791-A800 HydrophobicContact CG1-CB 3.87Å; V791-A800 WeakPolarHBondContact O-CB 3.35Å; A800-K803 PolarHBondContact O-N 3.15Å; A800-T804 WeakPolarHBondContact O-CB 3.39Å; A800-T804 WeakPolarHBondContact O-CG2 3.39Å; A800-T804 PolarHBondContact O-N 3.02Å; A800-T804 PolarHBondContact O-OG1 3.14Å
801	M	94.3	Very high	94.8	Very high	25 Å²	25	32.1 Å²	32.1	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-46.6	173.7	-176.5	58.9	71.8	0	0	111.8	L534 W583 D765 I767 S799 K803 T804 V805	L534-M801 HydrophobicContact CD2-CE 4.17Å; L534-M801 HydrophobicContact CD2-SD 4.19Å; W583-M801 HydrophobicContact CE3-CG 4.47Å; W583-M801 HydrophobicContact CH2-CE 3.69Å; W583-M801 HydrophobicContact CZ3-CE 3.85Å; W583-M801 HydrophobicContact CZ3-CG 3.82Å; W583-M801 HydrophobicContact CZ3-SD 4.42Å; D765-M801 WeakPolarHBondContact OD2-CB 3.41Å; D765-M801 PolarHBondContact OD2-N 3.13Å; I767-M801 HydrophobicContact CD1-CB 4.3Å; I767-M801 HydrophobicContact CD1-CE 3.56Å; I767-M801 HydrophobicContact CD1-SD 4.21Å; S799-M801 PolarHBondContact O-N 2.87Å; M801-K803 PolarHBondContact O-N 3.14Å; M801-T804 PolarHBondContact O-N 2.92Å; M801-T804 PolarHBondContact O-OG1 3.25Å; M801-V805 HydrophobicContact CG-CG2 4.4Å; M801-V805 WeakPolarHBondContact O-CB 3.15Å; M801-V805 WeakPolarHBondContact O-CG2 3.17Å; M801-V805 PolarHBondContact O-N 3.39Å; M801-V805 HydrophobicContact SD-CG2 3.58Å; M801-V805 VanDerWaalsContact SD-CG2 3.58Å
802	A	94.4	Very high	94.9	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-46.4	178.4	0	0	0	0	0	110.9	Y420 P424 F798 S799 V805 G806	Y420-A802 WeakPolarHBondContact O-CB 3.27Å; P424-A802 HydrophobicContact CG-CB 3.89Å; P424-A802 WeakPolarHBondContact CG-O 3.48Å; F798-A802 HydrophobicContact CB-CB 4.36Å; S799-A802 PolarHBondContact O-N 2.8Å; S799-A802 WeakPolarHBondContact OG-CB 3.46Å; S799-A802 PolarHBondContact OG-N 3.37Å; A802-V805 PolarHBondContact O-N 3.26Å; A802-G806 WeakPolarHBondContact O-CA 3.42Å; A802-G806 PolarHBondContact O-N 3.34Å
803	K	96.3	Very high	95	Very high	17 Å²	17	27.7 Å²	27.7	7%	0.074	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-49.8	178.5	-70.1	-174.7	-74	-176.2	0	112.1	Y792 E794 F798 S799 A800 M801 V805 Y807	Y792-K803 PolarHBondContact O-NZ 3.28Å; E794-K803 IonicContact OE1-NZ 3.33Å; E794-K803 PolarHBondContact OE1-NZ 2.89Å; F798-K803 HydrophobicContact CB-CD 4.25Å; F798-K803 HydrophobicContact CB-CG 3.65Å; S799-K803 WeakPolarHBondContact O-CG 3.03Å; S799-K803 PolarHBondContact O-N 2.82Å; A800-K803 PolarHBondContact O-N 3.15Å; M801-K803 PolarHBondContact O-N 3.14Å; K803-V805 VanDerWaalsContact C-N 3.28Å; K803-V805 PolarHBondContact O-N 2.9Å; K803-Y807 HydrophobicContact CB-CD2 3.92Å; K803-Y807 HydrophobicContact CB-CE2 3.88Å; K803-Y807 HydrophobicContact CD-CE2 4.21Å; K803-Y807 HydrophobicContact CG-CD2 4.31Å; K803-Y807 HydrophobicContact CG-CE2 3.76Å; K803-Y807 WeakPolarHBondContact O-CB 3.4Å; K803-Y807 VanDerWaalsContact O-CD2 3.32Å; K803-Y807 WeakPolarHBondContact O-CD2 3.47Å; K803-Y807 PolarHBondContact O-N 3.34Å; K803-Y807 VanDerWaalsContact O-N 3.08Å
804	T	96.9	Very high	95.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-76.3	-11.5	-174.3	55.4	0	0	0	0	114.4	G533 L534 I538 I767 V791 A800 M801 P808 L847	G533-T804 CarbonylContact C-O 3.59Å; L534-T804 HydrophobicContact CD1-CG2 4.39Å; L534-T804 PolarHBondContact N-O 3.38Å; I538-T804 HydrophobicContact CD1-CG2 4.35Å; I767-T804 HydrophobicContact CG1-CG2 4.17Å; V791-T804 HydrophobicContact CB-CG2 4.37Å; V791-T804 HydrophobicContact CG2-CG2 4.08Å; A800-T804 WeakPolarHBondContact O-CB 3.39Å; A800-T804 WeakPolarHBondContact O-CG2 3.39Å; A800-T804 PolarHBondContact O-N 3.02Å; A800-T804 PolarHBondContact O-OG1 3.14Å; M801-T804 PolarHBondContact O-N 2.92Å; M801-T804 PolarHBondContact O-OG1 3.25Å; T804-P808 VanDerWaalsContact O-CG 3.29Å; T804-P808 WeakPolarHBondContact O-CG 3.45Å; T804-L847 HydrophobicContact CG2-CD2 4.02Å
805	V	96.5	Very high	95.5	Very high	20 Å²	20	23.5 Å²	23.5	12%	0.121	13%	0.132	C	C	.	.	H	α-helix	trans	-103.9	-45	172.2	175.8	0	0	0	0	111.5	V421 A507 L534 M801 A802 K803	V421-V805 HydrophobicContact CB-CB 4.29Å; V421-V805 HydrophobicContact CB-CG1 4.05Å; V421-V805 HydrophobicContact CG1-CB 4.06Å; V421-V805 HydrophobicContact CG1-CG1 4.06Å; V421-V805 HydrophobicContact CG2-CG1 4.36Å; A507-V805 HydrophobicContact CB-CG1 3.77Å; L534-V805 HydrophobicContact CB-CG2 4.02Å; M801-V805 HydrophobicContact CG-CG2 4.4Å; M801-V805 WeakPolarHBondContact O-CB 3.15Å; M801-V805 WeakPolarHBondContact O-CG2 3.17Å; M801-V805 PolarHBondContact O-N 3.39Å; M801-V805 HydrophobicContact SD-CG2 3.58Å; M801-V805 VanDerWaalsContact SD-CG2 3.58Å; A802-V805 PolarHBondContact O-N 3.26Å; K803-V805 VanDerWaalsContact C-N 3.28Å; K803-V805 PolarHBondContact O-N 2.9Å
806	G	97.3	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.5	-46.2	-175.6	0	0	0	0	0	113.1	V425 A802 A809 A810	V425-G806 WeakPolarHBondContact CG2-O 3.35Å; A802-G806 WeakPolarHBondContact O-CA 3.42Å; A802-G806 PolarHBondContact O-N 3.34Å; G806-A809 PolarHBondContact O-N 3.02Å; G806-A810 WeakPolarHBondContact O-CB 3.42Å; G806-A810 PolarHBondContact O-N 3.35Å
807	Y	98.2	Very high	96.5	Very high	18 Å²	18	11.5 Å²	11.5	7%	0.071	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-44.4	-178.7	-68.5	-44.3	0	0	0	113.4	P424 Y428 K803 A809 A810 I811 E845 L847	P424-Y807 HydrophobicContact CB-CD1 3.86Å; P424-Y807 HydrophobicContact CB-CE1 3.73Å; P424-Y807 HydrophobicContact CB-CG 4.35Å; Y428-Y807 HydrophobicContact CD2-CD1 4.17Å; Y428-Y807 HydrophobicContact CD2-CE1 4.45Å; Y428-Y807 HydrophobicContact CG-CD1 4.47Å; K803-Y807 HydrophobicContact CB-CD2 3.92Å; K803-Y807 HydrophobicContact CB-CE2 3.88Å; K803-Y807 HydrophobicContact CD-CE2 4.21Å; K803-Y807 HydrophobicContact CG-CD2 4.31Å; K803-Y807 HydrophobicContact CG-CE2 3.76Å; K803-Y807 WeakPolarHBondContact O-CB 3.4Å; K803-Y807 VanDerWaalsContact O-CD2 3.32Å; K803-Y807 WeakPolarHBondContact O-CD2 3.47Å; K803-Y807 PolarHBondContact O-N 3.34Å; K803-Y807 VanDerWaalsContact O-N 3.08Å; Y807-A809 VanDerWaalsContact C-N 3.31Å; Y807-A809 PolarHBondContact O-N 2.82Å; Y807-A810 PolarHBondContact O-N 3.07Å; Y807-I811 WeakPolarHBondContact O-CB 3.45Å; Y807-I811 WeakPolarHBondContact O-CD1 3.33Å; Y807-I811 WeakPolarHBondContact O-CG1 3.45Å; Y807-I811 PolarHBondContact O-N 3.01Å; Y807-E845 HydrophobicContact CD1-CG 4.42Å; Y807-E845 HydrophobicContact CD2-CB 4.04Å; Y807-E845 HydrophobicContact CD2-CG 4.24Å; Y807-E845 HydrophobicContact CE2-CB 4.13Å; Y807-E845 HydrophobicContact CE2-CG 4.46Å; Y807-E845 HydrophobicContact CG-CG 4.22Å; Y807-L847 HydrophobicContact CD2-CD1 4.48Å
808	P	98.4	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.2	-44.1	174.8	-27.1	35.3	0	0	0	112.9	M532 I538 M541 T804 I811 A812 L842	M532-P808 HydrophobicContact CE-CB 4.04Å; M532-P808 WeakPolarHBondContact CE-O 3.39Å; I538-P808 HydrophobicContact CD1-CG 3.94Å; I538-P808 HydrophobicContact CG1-CG 3.99Å; M541-P808 HydrophobicContact CE-CB 4.24Å; T804-P808 VanDerWaalsContact O-CG 3.29Å; T804-P808 WeakPolarHBondContact O-CG 3.45Å; P808-I811 PolarHBondContact O-N 3.13Å; P808-A812 PolarHBondContact O-N 3.04Å; P808-L842 HydrophobicContact CG-CD1 4.17Å; P808-L842 HydrophobicContact CG-CD2 3.78Å
809	A	98.3	Very high	97	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.6	-41.1	177.2	0	0	0	0	0	112.7	M484 V505 M532 G806 Y807 A812 A813	M484-A809 HydrophobicContact CE-CB 3.25Å; V505-A809 HydrophobicContact CG1-CB 4.25Å; M532-A809 PolarHBondContact O-N 2.9Å; G806-A809 PolarHBondContact O-N 3.02Å; Y807-A809 VanDerWaalsContact C-N 3.31Å; Y807-A809 PolarHBondContact O-N 2.82Å; A809-A812 PolarHBondContact O-N 3.32Å; A809-A813 WeakPolarHBondContact O-CB 3.32Å; A809-A813 PolarHBondContact O-N 2.7Å
810	A	98.4	Very high	97.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.7	-39.5	177.3	0	0	0	0	0	112.2	V425 Y428 G806 Y807 A813 R814	V425-A810 HydrophobicContact CB-CB 4.45Å; V425-A810 HydrophobicContact CG1-CB 4.26Å; Y428-A810 HydrophobicContact CD1-CB 3.63Å; Y428-A810 HydrophobicContact CE1-CB 4.5Å; Y428-A810 HydrophobicContact CG-CB 3.9Å; G806-A810 WeakPolarHBondContact O-CB 3.42Å; G806-A810 PolarHBondContact O-N 3.35Å; Y807-A810 PolarHBondContact O-N 3.07Å; A810-A813 WeakPolarHBondContact O-CB 3.33Å; A810-A813 PolarHBondContact O-N 2.77Å; A810-R814 PolarHBondContact O-N 3.32Å
811	I	98.6	Very high	97.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-48.6	175.6	-71.3	162.3	0	0	0	110.1	Y428 Y807 P808 A813 R814 M815 A838 R841 L842	Y428-I811 HydrophobicContact CE1-CG1 4.03Å; Y428-I811 HydrophobicContact CE2-CG1 4.06Å; Y807-I811 WeakPolarHBondContact O-CB 3.45Å; Y807-I811 WeakPolarHBondContact O-CD1 3.33Å; Y807-I811 WeakPolarHBondContact O-CG1 3.45Å; Y807-I811 PolarHBondContact O-N 3.01Å; P808-I811 PolarHBondContact O-N 3.13Å; I811-A813 VanDerWaalsContact C-N 3.29Å; I811-A813 PolarHBondContact O-N 3.19Å; I811-R814 PolarHBondContact O-N 2.94Å; I811-M815 HydrophobicContact CG2-CG 4.29Å; I811-M815 HydrophobicContact CG2-SD 3.72Å; I811-M815 WeakPolarHBondContact O-CG 3.43Å; I811-M815 PolarHBondContact O-N 2.81Å; I811-A838 HydrophobicContact CG2-CB 4.26Å; I811-R841 HydrophobicContact CD1-CB 3.73Å; I811-R841 HydrophobicContact CG1-CB 4.08Å; I811-R841 HydrophobicContact CG2-CB 4.16Å; I811-L842 HydrophobicContact CD1-CD2 3.63Å; I811-L842 HydrophobicContact CD1-CG 3.74Å
812	A	98.4	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-41	174.4	0	0	0	0	0	112.1	V505 V529 M532 P808 A809 R814 M815 V816	V505-A812 HydrophobicContact CG1-CB 4.02Å; V505-A812 HydrophobicContact CG2-CB 4.31Å; V529-A812 HydrophobicContact CG1-CB 4.38Å; M532-A812 HydrophobicContact CB-CB 4.25Å; M532-A812 HydrophobicContact CE-CB 3.74Å; M532-A812 HydrophobicContact CG-CB 3.6Å; M532-A812 HydrophobicContact SD-CB 3.99Å; P808-A812 PolarHBondContact O-N 3.04Å; A809-A812 PolarHBondContact O-N 3.32Å; A812-R814 PolarHBondContact O-N 3.19Å; A812-M815 PolarHBondContact O-N 2.85Å; A812-V816 VanDerWaalsContact O-CG2 3.32Å; A812-V816 WeakPolarHBondContact O-CG2 3.42Å; A812-V816 PolarHBondContact O-N 3.31Å
813	A	98.4	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-47.2	175.8	0	0	0	0	0	111.8	L429 L480 I482 V505 A809 A810 I811 V816 L817	L429-A813 HydrophobicContact CD2-CB 4.27Å; L480-A813 HydrophobicContact CD2-CB 3.39Å; I482-A813 HydrophobicContact CD1-CB 3.51Å; I482-A813 HydrophobicContact CG1-CB 4.09Å; V505-A813 HydrophobicContact CG2-CB 4.4Å; A809-A813 WeakPolarHBondContact O-CB 3.32Å; A809-A813 PolarHBondContact O-N 2.7Å; A810-A813 WeakPolarHBondContact O-CB 3.33Å; A810-A813 PolarHBondContact O-N 2.77Å; I811-A813 VanDerWaalsContact C-N 3.29Å; I811-A813 PolarHBondContact O-N 3.19Å; A813-V816 PolarHBondContact O-N 3.1Å; A813-L817 VanDerWaalsContact O-CG 3.27Å; A813-L817 WeakPolarHBondContact O-CG 3.38Å; A813-L817 PolarHBondContact O-N 3.15Å
814	R	98	Very high	96.9	Very high	22 Å²	22	28 Å²	28	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-47.8	174.5	-178.2	57.7	58.5	-174.4	1	111.9	Y428 L429 D432 T435 A810 I811 A812 V816 L817 D818	Y428-R814 HydrophobicContact CE1-CB 4.15Å; L429-R814 PolarHBondContact O-NH2 3.22Å; D432-R814 VanDerWaalsContact CB-NH2 3.34Å; D432-R814 IonicContact OD2-CZ 3.9Å; D432-R814 IonicContact OD2-NH1 2.72Å; D432-R814 PolarHBondContact OD2-NH1 3Å; D432-R814 IonicContact OD2-NH2 2.73Å; D432-R814 PolarHBondContact OD2-NH2 2.65Å; T435-R814 PolarHBondContact OG1-NH1 3.23Å; T435-R814 VanDerWaalsContact OG1-NH1 3.1Å; T435-R814 PolarHBondContact OG1-NH2 3.05Å; A810-R814 PolarHBondContact O-N 3.32Å; I811-R814 PolarHBondContact O-N 2.94Å; A812-R814 PolarHBondContact O-N 3.19Å; R814-V816 VanDerWaalsContact C-N 3.26Å; R814-V816 PolarHBondContact O-N 2.63Å; R814-L817 PolarHBondContact O-N 3.31Å; R814-L817 VanDerWaalsContact O-N 3.13Å; R814-D818 WeakPolarHBondContact CD-OD2 3.31Å; R814-D818 WeakPolarHBondContact CG-OD2 3.49Å; R814-D818 IonicContact NH1-OD1 3.41Å; R814-D818 WeakPolarHBondContact O-CB 3.42Å; R814-D818 VanDerWaalsContact O-CG 3.29Å; R814-D818 PolarHBondContact O-N 3.46Å
815	M	97.9	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-36.6	178.5	-66.3	168.1	70.6	0	0	112.5	I811 A812 G819 E820 I821 L837 A838	I811-M815 HydrophobicContact CG2-CG 4.29Å; I811-M815 HydrophobicContact CG2-SD 3.72Å; I811-M815 WeakPolarHBondContact O-CG 3.43Å; I811-M815 PolarHBondContact O-N 2.81Å; A812-M815 PolarHBondContact O-N 2.85Å; M815-G819 PolarHBondContact O-N 3.47Å; M815-E820 WeakPolarHBondContact CA-OE2 3.32Å; M815-E820 HydrophobicContact CB-CB 4.15Å; M815-E820 VanDerWaalsContact CG-OE2 3.24Å; M815-E820 WeakPolarHBondContact CG-OE2 3.12Å; M815-E820 PolarHBondContact O-N 3.08Å; M815-I821 HydrophobicContact CB-CD1 3.74Å; M815-I821 HydrophobicContact CB-CG1 3.86Å; M815-I821 HydrophobicContact CE-CD1 3.89Å; M815-I821 HydrophobicContact CE-CG1 3.83Å; M815-I821 PolarHBondContact O-N 3.06Å; M815-I821 VanDerWaalsContact O-N 3.13Å; M815-I821 HydrophobicContact SD-CD1 4.31Å; M815-L837 HydrophobicContact CE-CB 3.96Å; M815-L837 HydrophobicContact CE-CD2 4.1Å; M815-L837 HydrophobicContact CE-CG 4.38Å; M815-L837 HydrophobicContact CG-CD2 4.35Å; M815-A838 HydrophobicContact SD-CB 4.4Å
816	V	97.9	Very high	96.9	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.067	15%	0.151	C	C	.	.	H	α-helix	trans	-71.7	-42.7	175.2	172.1	0	0	0	0	111.4	L480 N503 V505 T527 V529 A812 A813 R814 D818 G819 I821	L480-V816 HydrophobicContact CD1-CB 4.45Å; L480-V816 HydrophobicContact CD1-CG1 3.91Å; N503-V816 HydrophobicContact CB-CG1 3.71Å; V505-V816 HydrophobicContact CG2-CG2 4.49Å; T527-V816 HydrophobicContact CG2-CG2 4.25Å; V529-V816 HydrophobicContact CG2-CG2 3.79Å; A812-V816 VanDerWaalsContact O-CG2 3.32Å; A812-V816 WeakPolarHBondContact O-CG2 3.42Å; A812-V816 PolarHBondContact O-N 3.31Å; A813-V816 PolarHBondContact O-N 3.1Å; R814-V816 VanDerWaalsContact C-N 3.26Å; R814-V816 PolarHBondContact O-N 2.63Å; V816-D818 VanDerWaalsContact C-N 3.33Å; V816-D818 PolarHBondContact O-N 2.9Å; V816-G819 PolarHBondContact O-N 3.09Å; V816-I821 HydrophobicContact CG2-CB 4.22Å; V816-I821 HydrophobicContact CG2-CD1 4.14Å
817	L	96.7	Very high	96.9	Very high	18 Å²	18	28.2 Å²	28.2	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-37.8	179.3	-72.9	169.1	0	0	0	112.8	K411 V413 D479 L480 A813 R814 G819	K411-L817 HydrophobicContact CB-CD2 4.26Å; K411-L817 HydrophobicContact CD-CD2 4.46Å; V413-L817 HydrophobicContact CG2-CD1 3.66Å; D479-L817 HydrophobicContact CB-CD2 4.23Å; L480-L817 HydrophobicContact CB-CD2 3.88Å; L480-L817 HydrophobicContact CB-CG 4.43Å; L480-L817 HydrophobicContact CD2-CD1 4.25Å; L480-L817 HydrophobicContact CD2-CD2 4.41Å; L480-L817 HydrophobicContact CD2-CG 4.03Å; A813-L817 VanDerWaalsContact O-CG 3.27Å; A813-L817 WeakPolarHBondContact O-CG 3.38Å; A813-L817 PolarHBondContact O-N 3.15Å; R814-L817 PolarHBondContact O-N 3.31Å; R814-L817 VanDerWaalsContact O-N 3.13Å; L817-G819 VanDerWaalsContact C-N 3.31Å
818	D	95.7	Very high	96.9	Very high	85 Å²	85	28.8 Å²	28.8	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.1	-178.1	-62.8	-10.3	0	0	0	112.2	R814 V816 E820	R814-D818 WeakPolarHBondContact CD-OD2 3.31Å; R814-D818 WeakPolarHBondContact CG-OD2 3.49Å; R814-D818 IonicContact NH1-OD1 3.41Å; R814-D818 WeakPolarHBondContact O-CB 3.42Å; R814-D818 VanDerWaalsContact O-CG 3.29Å; R814-D818 PolarHBondContact O-N 3.46Å; V816-D818 VanDerWaalsContact C-N 3.33Å; V816-D818 PolarHBondContact O-N 2.9Å; D818-E820 VanDerWaalsContact C-N 3.32Å; D818-E820 HydrophobicContact CB-CG 4.18Å
819	G	95.4	Very high	96.8	Very high	47 Å²	47	28.8 Å²	28.8	49%	0.485	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	14.5	178.9	0	0	0	0	0	114.5	M815 V816 L817 I821	M815-G819 PolarHBondContact O-N 3.47Å; V816-G819 PolarHBondContact O-N 3.09Å; L817-G819 VanDerWaalsContact C-N 3.31Å; G819-I821 VanDerWaalsContact C-N 3.34Å
820	E	96.8	Very high	96.6	Very high	77 Å²	77	29.6 Å²	29.6	36%	0.36	16%	0.162	S	C	.	.	S	Bend	trans	-67.3	-37.2	174.3	-60.3	174.5	159.2	0	0	110.7	M815 D818 S822 L837 R841	M815-E820 WeakPolarHBondContact CA-OE2 3.32Å; M815-E820 HydrophobicContact CB-CB 4.15Å; M815-E820 VanDerWaalsContact CG-OE2 3.24Å; M815-E820 WeakPolarHBondContact CG-OE2 3.12Å; M815-E820 PolarHBondContact O-N 3.08Å; D818-E820 VanDerWaalsContact C-N 3.32Å; D818-E820 HydrophobicContact CB-CG 4.18Å; E820-S822 PolarHBondContact O-N 3.15Å; E820-L837 HydrophobicContact CB-CD2 4.42Å; E820-L837 HydrophobicContact CG-CD2 4.49Å; E820-L837 VanDerWaalsContact OE2-CD2 3.23Å; E820-L837 WeakPolarHBondContact OE2-CD2 3.42Å; E820-R841 IonicContact OE1-CZ 3.74Å; E820-R841 IonicContact OE1-NH1 3.14Å; E820-R841 IonicContact OE1-NH2 3.49Å; E820-R841 PolarHBondContact OE1-NH2 3.25Å; E820-R841 IonicContact OE2-CZ 3.77Å; E820-R841 VanDerWaalsContact OE2-CZ 3.22Å; E820-R841 IonicContact OE2-NH1 3.31Å; E820-R841 PolarHBondContact OE2-NH1 3.08Å; E820-R841 IonicContact OE2-NH2 3.33Å; E820-R841 PolarHBondContact OE2-NH2 3.03Å
821	I	96.3	Very high	96.4	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	18%	0.176	C	C	.	.			trans	-92	96.4	165.9	-61.2	169.8	0	0	0	108.5	T527 V529 M815 V816 G819 L827 I834	T527-I821 HydrophobicContact CG2-CG2 3.92Å; V529-I821 HydrophobicContact CG2-CD1 4.2Å; M815-I821 HydrophobicContact CB-CD1 3.74Å; M815-I821 HydrophobicContact CB-CG1 3.86Å; M815-I821 HydrophobicContact CE-CD1 3.89Å; M815-I821 HydrophobicContact CE-CG1 3.83Å; M815-I821 PolarHBondContact O-N 3.06Å; M815-I821 VanDerWaalsContact O-N 3.13Å; M815-I821 HydrophobicContact SD-CD1 4.31Å; V816-I821 HydrophobicContact CG2-CB 4.22Å; V816-I821 HydrophobicContact CG2-CD1 4.14Å; G819-I821 VanDerWaalsContact C-N 3.34Å; I821-L827 HydrophobicContact CG2-CD1 3.65Å; I821-I834 HydrophobicContact CD1-CG1 4.26Å; I821-I834 HydrophobicContact CD1-CG2 4.29Å; I821-I834 HydrophobicContact CG1-CG1 4.28Å
822	S	90	Very high	96.1	Very high	95 Å²	95	36.3 Å²	36.3	66%	0.664	20%	0.199	S	C	*	.			trans	-89.4	-19.7	-179.9	58	0	0	0	0	113.9	E820	E820-S822 PolarHBondContact O-N 3.15Å
823	R	94.6	Very high	95.7	Very high	90 Å²	90	39.9 Å²	39.9	34%	0.34	22%	0.219	S	C	.	.			trans	-65	139.5	-177.9	-164.4	170.5	71.1	-146.4	6.3	111.3	T527 L827 T831 D833	T527-R823 WeakPolarHBondContact CG2-O 3.35Å; T527-R823 PolarHBondContact OG1-O 3.16Å; R823-L827 HydrophobicContact CB-CD1 4.03Å; R823-L827 HydrophobicContact CG-CD2 4.12Å; R823-T831 PolarHBondContact NH1-OG1 3.47Å; R823-T831 PolarHBondContact NH2-OG1 3.33Å; R823-D833 IonicContact NH1-OD1 2.79Å; R823-D833 PolarHBondContact NH1-OD1 3.2Å; R823-D833 IonicContact NH1-OD2 2.73Å; R823-D833 PolarHBondContact NH1-OD2 3.14Å
824	K	95.9	Very high	95.6	Very high	101 Å²	101	39.9 Å²	39.9	44%	0.439	22%	0.219	S	C	.	.			trans	-99.4	162	176.9	-56.4	-49.9	-173.8	174.8	0	111.2	G525 T527	G525-K824 VanDerWaalsContact O-CD 3.25Å; G525-K824 WeakPolarHBondContact O-CD 3.17Å; G525-K824 WeakPolarHBondContact O-CE 3.07Å; G525-K824 PolarHBondContact O-NZ 3.24Å; T527-K824 VanDerWaalsContact OG1-CD 3.32Å; T527-K824 WeakPolarHBondContact OG1-CD 3.46Å; T527-K824 PolarHBondContact OG1-NZ 3.25Å
825	G	97.3	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.6	-170.6	-177.3	0	0	0	0	0	113.6	I526 I528	I526-G825 PolarHBondContact O-N 3.13Å; I528-G825 PolarHBondContact N-O 2.7Å
826	L	97.4	Very high	95.5	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.9	172.7	-62.5	161	0	0	0	109.4	L510 M514 Q518 V521 I528	L510-L826 HydrophobicContact CD1-CB 4.29Å; L510-L826 HydrophobicContact CD1-CD1 4.18Å; L510-L826 HydrophobicContact CD1-CD2 4.19Å; L510-L826 HydrophobicContact CD1-CG 4.47Å; M514-L826 HydrophobicContact CE-CD2 3.9Å; M514-L826 WeakPolarHBondContact O-CD1 3.48Å; Q518-L826 HydrophobicContact CB-CD1 4.11Å; Q518-L826 VanDerWaalsContact OE1-CB 3.29Å; V521-L826 HydrophobicContact CG2-CD2 4.27Å; V521-L826 HydrophobicContact CG2-CG 4.27Å; I528-L826 HydrophobicContact CB-CD2 3.8Å; I528-L826 HydrophobicContact CD1-CD2 4.21Å; I528-L826 HydrophobicContact CG1-CD2 4.49Å; I528-L826 HydrophobicContact CG2-CD2 3.77Å; I528-L826 WeakPolarHBondContact O-CA 3.47Å
827	L	96.9	Very high	95.3	Very high	7 Å²	7	43 Å²	43	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152.1	-174.2	-48.8	-169.5	0	0	0	110.6	T527 I528 N530 I821 R823 I834	T527-L827 HydrophobicContact CG2-CD1 3.74Å; T527-L827 HydrophobicContact CG2-CG 4.34Å; I528-L827 PolarHBondContact O-N 3.47Å; N530-L827 PolarHBondContact N-O 3.19Å; I821-L827 HydrophobicContact CG2-CD1 3.65Å; R823-L827 HydrophobicContact CB-CD1 4.03Å; R823-L827 HydrophobicContact CG-CD2 4.12Å; L827-I834 HydrophobicContact CB-CD1 4.14Å; L827-I834 HydrophobicContact CD1-CD1 4.14Å
828	V	96.7	Very high	95.4	Very high	31 Å²	31	42.1 Å²	42.1	19%	0.188	24%	0.237	C	C	.	.			trans	-132	154.7	170.9	-66.5	0	0	0	0	108.5	L510 N530 E531 M830	L510-V828 HydrophobicContact CB-CG1 4.31Å; L510-V828 HydrophobicContact CD2-CG1 4.25Å; N530-V828 HydrophobicContact CB-CG1 4.32Å; E531-V828 HydrophobicContact CB-CG1 4.26Å; E531-V828 HydrophobicContact CG-CG1 4.12Å; V828-M830 HydrophobicContact CG2-CB 4.24Å; V828-M830 HydrophobicContact CG2-CE 4.3Å; V828-M830 HydrophobicContact CG2-CG 3.89Å; V828-M830 HydrophobicContact CG2-SD 3.88Å; V828-M830 PolarHBondContact O-N 2.97Å
829	P	96.4	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	52.7	-173.4	34.6	-37.2	0	0	0	112.9	N530 E531 M532 H540 M541 I834	N530-P829 WeakPolarHBondContact O-CD 3.47Å; E531-P829 WeakPolarHBondContact O-CG 3.34Å; M532-P829 HydrophobicContact SD-CB 3.6Å; M532-P829 HydrophobicContact SD-CG 3.82Å; H540-P829 HydrophobicContact CB-CG 4.46Å; M541-P829 HydrophobicContact CG-CB 3.85Å; M541-P829 HydrophobicContact CG-CG 4.31Å; M541-P829 HydrophobicContact SD-CB 4.31Å; P829-I834 HydrophobicContact CB-CG2 3.9Å
830	M	95	Very high	95.5	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.084	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-2.8	180	-63.1	-179	-175.2	0	0	113.2	H540 M544 Y639 Q642 Y643 V828	H540-M830 HydrophobicContact CB-CG 4.23Å; H540-M830 WeakPolarHBondContact ND1-CE 3.47Å; M544-M830 WeakPolarHBondContact CE-O 3.36Å; M544-M830 HydrophobicContact CG-CB 4.1Å; M544-M830 HydrophobicContact CG-CG 4.43Å; Y639-M830 HydrophobicContact CE1-CE 4.43Å; Q642-M830 HydrophobicContact CB-SD 4.1Å; Y643-M830 HydrophobicContact CD1-SD 4.3Å; Y643-M830 HydrophobicContact CE1-CE 3.99Å; Y643-M830 HydrophobicContact CE1-CG 4.49Å; Y643-M830 HydrophobicContact CE1-SD 4.13Å; V828-M830 HydrophobicContact CG2-CB 4.24Å; V828-M830 HydrophobicContact CG2-CE 4.3Å; V828-M830 HydrophobicContact CG2-CG 3.89Å; V828-M830 HydrophobicContact CG2-SD 3.88Å; V828-M830 PolarHBondContact O-N 2.97Å
831	T	93.4	Very high	95.6	Very high	46 Å²	46	35.9 Å²	35.9	28%	0.282	20%	0.198	S	C	.	.	S	Bend	trans	-112.2	144	178.6	57.5	0	0	0	0	110.6	R823 D833 I834 Y835	R823-T831 PolarHBondContact NH1-OG1 3.47Å; R823-T831 PolarHBondContact NH2-OG1 3.33Å; T831-D833 WeakPolarHBondContact CB-OD1 3.48Å; T831-D833 PolarHBondContact O-N 3.23Å; T831-D833 PolarHBondContact OG1-OD1 3.47Å; T831-I834 PolarHBondContact O-N 2.86Å; T831-Y835 VanDerWaalsContact C-CE1 3.42Å; T831-Y835 WeakPolarHBondContact O-CD1 3.4Å; T831-Y835 PolarHBondContact O-N 3.14Å
832	N	93.1	Very high	95.6	Very high	94 Å²	94	35.7 Å²	35.7	50%	0.503	20%	0.197	S	C	.	.	H	α-helix	trans	-60	-29.6	-171.4	-172.2	31.6	0	0	0	114.1	I834 Y835 G836	N832-I834 PolarHBondContact O-N 3.39Å; N832-Y835 HydrophobicContact CB-CE1 3.87Å; N832-Y835 HydrophobicContact CB-CE2 4.35Å; N832-Y835 WeakPolarHBondContact OD1-CE2 3.3Å; N832-G836 PolarHBondContact O-N 3.03Å; N832-G836 VanDerWaalsContact O-N 3.12Å
833	D	90.7	Very high	95.9	Very high	76 Å²	76	35.8 Å²	35.8	41%	0.406	19%	0.186	S	C	.	.	H	α-helix	trans	-61.1	-20.3	173.2	62.4	-48.3	0	0	0	113.4	R823 T831	R823-D833 IonicContact NH1-OD1 2.79Å; R823-D833 PolarHBondContact NH1-OD1 3.2Å; R823-D833 IonicContact NH1-OD2 2.73Å; R823-D833 PolarHBondContact NH1-OD2 3.14Å; T831-D833 WeakPolarHBondContact CB-OD1 3.48Å; T831-D833 PolarHBondContact O-N 3.23Å; T831-D833 PolarHBondContact OG1-OD1 3.47Å
834	I	95.9	Very high	96	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-105.6	-59.6	175.7	-56.3	177.4	0	0	0	110.3	M532 I821 L827 P829 T831 N832 G836 A838	M532-I834 HydrophobicContact SD-CG2 4.35Å; I821-I834 HydrophobicContact CD1-CG1 4.26Å; I821-I834 HydrophobicContact CD1-CG2 4.29Å; I821-I834 HydrophobicContact CG1-CG1 4.28Å; L827-I834 HydrophobicContact CB-CD1 4.14Å; L827-I834 HydrophobicContact CD1-CD1 4.14Å; P829-I834 HydrophobicContact CB-CG2 3.9Å; T831-I834 PolarHBondContact O-N 2.86Å; N832-I834 PolarHBondContact O-N 3.39Å; I834-G836 VanDerWaalsContact C-N 3.33Å; I834-G836 PolarHBondContact O-N 3.28Å; I834-A838 VanDerWaalsContact O-CB 3.28Å; I834-A838 WeakPolarHBondContact O-CB 3.26Å; I834-A838 PolarHBondContact O-N 3.33Å; I834-A838 VanDerWaalsContact O-N 3.15Å
835	Y	96.6	Very high	96	Very high	8 Å²	8	35.8 Å²	35.8	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-31.6	-169.4	73.7	-112.7	0	0	0	113	M544 E545 E548 T831 N832 A838 L839	M544-Y835 HydrophobicContact CB-CD1 3.95Å; M544-Y835 HydrophobicContact CB-CE1 3.74Å; E545-Y835 HydrophobicContact CB-CD2 4.35Å; E545-Y835 HydrophobicContact CB-CE2 3.98Å; E545-Y835 HydrophobicContact CG-CE2 4.49Å; E548-Y835 PolarHBondContact OE2-OH 3.38Å; T831-Y835 VanDerWaalsContact C-CE1 3.42Å; T831-Y835 WeakPolarHBondContact O-CD1 3.4Å; T831-Y835 PolarHBondContact O-N 3.14Å; N832-Y835 HydrophobicContact CB-CE1 3.87Å; N832-Y835 HydrophobicContact CB-CE2 4.35Å; N832-Y835 WeakPolarHBondContact OD1-CE2 3.3Å; Y835-A838 PolarHBondContact O-N 3.23Å; Y835-L839 HydrophobicContact CD2-CD1 4.17Å; Y835-L839 WeakPolarHBondContact O-CB 3.42Å; Y835-L839 VanDerWaalsContact O-CG 3.31Å; Y835-L839 WeakPolarHBondContact O-CG 3.49Å; Y835-L839 PolarHBondContact O-N 2.87Å
836	G	95.8	Very high	95.7	Very high	24 Å²	24	37.6 Å²	37.6	25%	0.247	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-50.4	-174.9	0	0	0	0	0	111.6	N832 I834 A840	N832-G836 PolarHBondContact O-N 3.03Å; N832-G836 VanDerWaalsContact O-N 3.12Å; I834-G836 VanDerWaalsContact C-N 3.33Å; I834-G836 PolarHBondContact O-N 3.28Å; G836-A840 PolarHBondContact O-N 2.86Å; G836-A840 VanDerWaalsContact O-N 3.16Å
837	L	95.6	Very high	95.6	Very high	65 Å²	65	37 Å²	37	34%	0.34	21%	0.207	S	C	.	.	H	α-helix	trans	-71.8	-36.7	177.6	-169.6	60.2	0	0	0	111.9	M815 E820 A840 R841	M815-L837 HydrophobicContact CE-CB 3.96Å; M815-L837 HydrophobicContact CE-CD2 4.1Å; M815-L837 HydrophobicContact CE-CG 4.38Å; M815-L837 HydrophobicContact CG-CD2 4.35Å; E820-L837 HydrophobicContact CB-CD2 4.42Å; E820-L837 HydrophobicContact CG-CD2 4.49Å; E820-L837 VanDerWaalsContact OE2-CD2 3.23Å; E820-L837 WeakPolarHBondContact OE2-CD2 3.42Å; L837-A840 PolarHBondContact O-N 3.48Å; L837-R841 PolarHBondContact O-N 2.9Å
838	A	97.4	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-47	176.9	0	0	0	0	0	112	M532 M541 I811 M815 I834 Y835 A840 R841 L842	M532-A838 HydrophobicContact CE-CB 4.37Å; M541-A838 HydrophobicContact SD-CB 3.6Å; M541-A838 VanDerWaalsContact SD-CB 3.6Å; I811-A838 HydrophobicContact CG2-CB 4.26Å; M815-A838 HydrophobicContact SD-CB 4.4Å; I834-A838 VanDerWaalsContact O-CB 3.28Å; I834-A838 WeakPolarHBondContact O-CB 3.26Å; I834-A838 PolarHBondContact O-N 3.33Å; I834-A838 VanDerWaalsContact O-N 3.15Å; Y835-A838 PolarHBondContact O-N 3.23Å; A838-A840 VanDerWaalsContact C-N 3.34Å; A838-A840 PolarHBondContact O-N 2.87Å; A838-R841 PolarHBondContact O-N 3.43Å; A838-L842 WeakPolarHBondContact O-CB 3.38Å; A838-L842 WeakPolarHBondContact O-CG 3.5Å; A838-L842 PolarHBondContact O-N 3.19Å
839	L	97.6	Very high	95.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-38	175.9	-74.1	175.7	0	0	0	112.5	M541 L542 E545 Y835 L842 K843 I849	M541-L839 HydrophobicContact CB-CD1 3.95Å; M541-L839 HydrophobicContact CB-CD2 3.75Å; M541-L839 HydrophobicContact CB-CG 3.77Å; M541-L839 HydrophobicContact SD-CD2 4.43Å; M541-L839 HydrophobicContact SD-CG 4.35Å; L542-L839 HydrophobicContact CD2-CD1 4.29Å; L542-L839 HydrophobicContact CD2-CD2 3.79Å; L542-L839 HydrophobicContact CG-CD2 4.26Å; E545-L839 HydrophobicContact CB-CD1 4.06Å; E545-L839 HydrophobicContact CG-CD1 4.4Å; Y835-L839 HydrophobicContact CD2-CD1 4.17Å; Y835-L839 WeakPolarHBondContact O-CB 3.42Å; Y835-L839 VanDerWaalsContact O-CG 3.31Å; Y835-L839 WeakPolarHBondContact O-CG 3.49Å; Y835-L839 PolarHBondContact O-N 2.87Å; L839-L842 HydrophobicContact CD2-CD1 4.5Å; L839-L842 PolarHBondContact O-N 3.14Å; L839-K843 VanDerWaalsContact O-CG 3.32Å; L839-K843 WeakPolarHBondContact O-CG 3.48Å; L839-K843 PolarHBondContact O-N 3.33Å; L839-I849 HydrophobicContact CD2-CD1 4.19Å
840	A	96.9	Very high	95	Very high	42 Å²	42	49.6 Å²	49.6	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-49.6	175.9	0	0	0	0	0	111.3	G836 L837 A838 L842 K843 E844	G836-A840 PolarHBondContact O-N 2.86Å; G836-A840 VanDerWaalsContact O-N 3.16Å; L837-A840 PolarHBondContact O-N 3.48Å; A838-A840 VanDerWaalsContact C-N 3.34Å; A838-A840 PolarHBondContact O-N 2.87Å; A840-L842 PolarHBondContact O-N 3.43Å; A840-K843 WeakPolarHBondContact O-CB 3.13Å; A840-K843 PolarHBondContact O-N 3.1Å; A840-E844 PolarHBondContact O-N 3.06Å
841	R	97.8	Very high	94.9	Very high	35 Å²	35	52.4 Å²	52.4	13%	0.132	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-36.8	177.3	-71.3	175.9	176.8	167.6	4.8	112.7	I811 E820 L837 A838 K843 E844 E845	I811-R841 HydrophobicContact CD1-CB 3.73Å; I811-R841 HydrophobicContact CG1-CB 4.08Å; I811-R841 HydrophobicContact CG2-CB 4.16Å; E820-R841 IonicContact OE1-CZ 3.74Å; E820-R841 IonicContact OE1-NH1 3.14Å; E820-R841 IonicContact OE1-NH2 3.49Å; E820-R841 PolarHBondContact OE1-NH2 3.25Å; E820-R841 IonicContact OE2-CZ 3.77Å; E820-R841 VanDerWaalsContact OE2-CZ 3.22Å; E820-R841 IonicContact OE2-NH1 3.31Å; E820-R841 PolarHBondContact OE2-NH1 3.08Å; E820-R841 IonicContact OE2-NH2 3.33Å; E820-R841 PolarHBondContact OE2-NH2 3.03Å; L837-R841 PolarHBondContact O-N 2.9Å; A838-R841 PolarHBondContact O-N 3.43Å; R841-K843 VanDerWaalsContact C-N 3.29Å; R841-K843 PolarHBondContact O-N 2.87Å; R841-E844 WeakPolarHBondContact O-CB 3.47Å; R841-E844 PolarHBondContact O-N 3.28Å; R841-E844 VanDerWaalsContact O-N 3.11Å; R841-E845 PolarHBondContact O-N 3.18Å
842	L	97.4	Very high	94.8	Very high	2 Å²	2	56 Å²	56	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-35.8	174.6	-72.9	168	0	0	0	112.3	I538 M541 P808 I811 A838 L839 A840 E844 E845 L847	I538-L842 HydrophobicContact CD1-CD1 4.29Å; I538-L842 HydrophobicContact CG1-CD1 3.94Å; M541-L842 HydrophobicContact CE-CD1 4.07Å; M541-L842 HydrophobicContact SD-CD1 4.46Å; P808-L842 HydrophobicContact CG-CD1 4.17Å; P808-L842 HydrophobicContact CG-CD2 3.78Å; I811-L842 HydrophobicContact CD1-CD2 3.63Å; I811-L842 HydrophobicContact CD1-CG 3.74Å; A838-L842 WeakPolarHBondContact O-CB 3.38Å; A838-L842 WeakPolarHBondContact O-CG 3.5Å; A838-L842 PolarHBondContact O-N 3.19Å; L839-L842 HydrophobicContact CD2-CD1 4.5Å; L839-L842 PolarHBondContact O-N 3.14Å; A840-L842 PolarHBondContact O-N 3.43Å; L842-E844 VanDerWaalsContact C-N 3.32Å; L842-E845 PolarHBondContact O-N 3.22Å; L842-L847 HydrophobicContact CB-CD2 4.37Å; L842-L847 HydrophobicContact CD2-CD2 4.06Å; L842-L847 WeakPolarHBondContact O-CB 3.42Å; L842-L847 PolarHBondContact O-N 3.39Å; L842-L847 VanDerWaalsContact O-N 3.12Å
843	K	96.2	Very high	94.8	Very high	97 Å²	97	54.5 Å²	54.5	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-36.3	173.2	-71.2	166.1	-175.3	167.9	0	111.5	E545 L839 A840 R841 E845 G846 I849	E545-K843 IonicContact OE1-NZ 2.92Å; L839-K843 VanDerWaalsContact O-CG 3.32Å; L839-K843 WeakPolarHBondContact O-CG 3.48Å; L839-K843 PolarHBondContact O-N 3.33Å; A840-K843 WeakPolarHBondContact O-CB 3.13Å; A840-K843 PolarHBondContact O-N 3.1Å; R841-K843 VanDerWaalsContact C-N 3.29Å; R841-K843 PolarHBondContact O-N 2.87Å; K843-E845 VanDerWaalsContact C-N 3.32Å; K843-G846 PolarHBondContact O-N 3.34Å; K843-G846 VanDerWaalsContact O-N 3.08Å; K843-I849 HydrophobicContact CG-CD1 4.22Å
844	E	96.3	Very high	94.8	Very high	150 Å²	150	53.8 Å²	53.8	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-65.2	-34.2	174.2	-65.3	170	175.9	0	0	112.2	A840 R841 L842 G846	A840-E844 PolarHBondContact O-N 3.06Å; R841-E844 WeakPolarHBondContact O-CB 3.47Å; R841-E844 PolarHBondContact O-N 3.28Å; R841-E844 VanDerWaalsContact O-N 3.11Å; L842-E844 VanDerWaalsContact C-N 3.32Å; E844-G846 PolarHBondContact O-N 3.43Å; E844-G846 VanDerWaalsContact O-N 3.15Å
845	E	95.2	Very high	94.5	Very high	40 Å²	40	58.9 Å²	58.9	19%	0.187	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	6.9	171.5	-60.3	-54.6	133	0	0	113.8	Y428 R431 Y807 R841 L842 K843 L847	Y428-E845 HydrophobicContact CE2-CG 4.35Å; Y428-E845 WeakPolarHBondContact CE2-OE1 3.45Å; R431-E845 IonicContact CZ-OE1 3.11Å; R431-E845 IonicContact CZ-OE2 2.87Å; R431-E845 VanDerWaalsContact NH1-CD 3.29Å; R431-E845 IonicContact NH1-OE1 3.01Å; R431-E845 PolarHBondContact NH1-OE1 3.33Å; R431-E845 IonicContact NH1-OE2 3.3Å; R431-E845 PolarHBondContact NH1-OE2 3.03Å; R431-E845 VanDerWaalsContact NH1-OE2 3.1Å; R431-E845 IonicContact NH2-OE1 2.68Å; R431-E845 IonicContact NH2-OE2 3.97Å; R431-E845 PolarHBondContact NH2-OE2 3.24Å; Y807-E845 HydrophobicContact CD1-CG 4.42Å; Y807-E845 HydrophobicContact CD2-CB 4.04Å; Y807-E845 HydrophobicContact CD2-CG 4.24Å; Y807-E845 HydrophobicContact CE2-CB 4.13Å; Y807-E845 HydrophobicContact CE2-CG 4.46Å; Y807-E845 HydrophobicContact CG-CG 4.22Å; R841-E845 PolarHBondContact O-N 3.18Å; L842-E845 PolarHBondContact O-N 3.22Å; K843-E845 VanDerWaalsContact C-N 3.32Å; E845-L847 HydrophobicContact CB-CD1 4.24Å
846	G	92	Very high	93.6	Very high	38 Å²	38	63.3 Å²	63.3	39%	0.392	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	15.5	175.7	0	0	0	0	0	115	K843 E844 H848	K843-G846 PolarHBondContact O-N 3.34Å; K843-G846 VanDerWaalsContact O-N 3.08Å; E844-G846 PolarHBondContact O-N 3.43Å; E844-G846 VanDerWaalsContact O-N 3.15Å; G846-H848 PolarHBondContact O-CD2 3.26Å; G846-H848 PolarHBondContact O-N 3.15Å; G846-H848 VanDerWaalsContact O-N 3.14Å
847	L	93.8	Very high	91.5	Very high	5 Å²	5	74.7 Å²	74.7	3%	0.026	39%	0.386	C	S	.	.			trans	-78.4	98.5	171.6	-78.7	66.7	0	0	0	109.6	I538 L789 V791 T804 Y807 L842 E845 I849	I538-L847 HydrophobicContact CD1-CD2 3.79Å; L789-L847 HydrophobicContact CD1-CB 4.25Å; V791-L847 HydrophobicContact CG2-CG 4.4Å; T804-L847 HydrophobicContact CG2-CD2 4.02Å; Y807-L847 HydrophobicContact CD2-CD1 4.48Å; L842-L847 HydrophobicContact CB-CD2 4.37Å; L842-L847 HydrophobicContact CD2-CD2 4.06Å; L842-L847 WeakPolarHBondContact O-CB 3.42Å; L842-L847 PolarHBondContact O-N 3.39Å; L842-L847 VanDerWaalsContact O-N 3.12Å; E845-L847 HydrophobicContact CB-CD1 4.24Å; L847-I849 PolarHBondContact O-N 2.99Å
848	H	91.3	Very high	91.3	Very high	144 Å²	144	75.2 Å²	75.2	67%	0.667	39%	0.388	S	S	*	.			trans	-79.9	111.9	179	-59.6	-57.2	0	0	0	111.5	L789 G846	L789-H848 WeakPolarHBondContact CD1-O 3.45Å; G846-H848 PolarHBondContact O-CD2 3.26Å; G846-H848 PolarHBondContact O-N 3.15Å; G846-H848 VanDerWaalsContact O-N 3.14Å
849	I	93.6	Very high	91	Very high	39 Å²	39	79.2 Å²	79.2	20%	0.2	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.4	174.4	-61.3	146.1	0	0	0	108.4	L542 I787 L789 L839 K843 L847	L542-I849 HydrophobicContact CD1-CG1 4.48Å; L542-I849 HydrophobicContact CD1-CG2 4.44Å; L542-I849 HydrophobicContact CD2-CD1 3.69Å; L542-I849 HydrophobicContact CD2-CG1 4.05Å; L542-I849 HydrophobicContact CD2-CG2 3.78Å; I787-I849 HydrophobicContact CG2-CG2 3.66Å; L789-I849 HydrophobicContact CD1-CG1 4.23Å; L839-I849 HydrophobicContact CD2-CD1 4.19Å; K843-I849 HydrophobicContact CG-CD1 4.22Å; L847-I849 PolarHBondContact O-N 2.99Å
850	I	92.9	Very high	90.7	Very high	118 Å²	118	83.5 Å²	83.5	61%	0.605	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.6	179.3	-58.3	174.1	0	0	0	108.5	I787 S788	I787-I850 CarbonylContact C-O 3.55Å; I787-I850 WeakPolarHBondContact CA-O 3.48Å; S788-I850 PolarHBondContact N-O 3.09Å; S788-I850 PolarHBondContact O-N 2.99Å
851	S	92.8	Very high	90.3	Very high	76 Å²	76	85.9 Å²	85.9	53%	0.531	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.6	173	-174.8	0	0	0	0	110.6	Q786	Q786-S851 CarbonylContact O-C 3.49Å; Q786-S851 WeakPolarHBondContact O-CA 3.38Å
852	K	93	Very high	89.8	Confident	123 Å²	123	89.1 Å²	89.1	54%	0.535	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.8	175.8	-178.3	-178.9	178.9	-175	0	109.4	Q786	Q786-K852 HydrophobicContact CB-CB 4.26Å; Q786-K852 VanDerWaalsContact CB-O 3.26Å; Q786-K852 WeakPolarHBondContact CB-O 3.49Å; Q786-K852 PolarHBondContact N-O 3.28Å; Q786-K852 PolarHBondContact O-N 3.36Å
853	S	92.4	Very high	89.3	Confident	62 Å²	62	94.9 Å²	94.9	43%	0.434	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.7	174.3	-64.8	0	0	0	0	110.8	E783	E783-S853 WeakPolarHBondContact OE1-CB 3.43Å; E783-S853 PolarHBondContact OE1-OG 3.04Å
854	I	91.3	Very high	88.8	Confident	61 Å²	61	94.8 Å²	94.8	31%	0.313	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.2	175.4	-54.5	177.6	0	0	0	107.5	M784	M784-I854 HydrophobicContact CB-CB 4.49Å; M784-I854 PolarHBondContact N-O 3.47Å; M784-I854 PolarHBondContact O-N 2.97Å
855	L	87.8	Confident	88.3	Confident	107 Å²	107	90.5 Å²	90.5	56%	0.56	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	135	172.7	-68	167.3	0	0	0	109.5	E781 E783	E781-L855 HydrophobicContact CB-CD2 4.41Å; E783-L855 HydrophobicContact CB-CD2 3.91Å; E783-L855 HydrophobicContact CG-CD2 4.28Å
856	Q	77.9	Confident	87.7	Confident	101 Å²	101	94.8 Å²	94.8	47%	0.472	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.8	168.3	-64.5	-177.8	0.3	0	0	107.3	L782	L782-Q856 HydrophobicContact CB-CB 4.38Å; L782-Q856 PolarHBondContact N-O 2.87Å; L782-Q856 PolarHBondContact O-N 2.8Å
857	E	53.5	Low	87.3	Confident	263 Å²	263	99.9 Å²	99.9	100%	1.229	51%	0.507	S	S	*	.			trans	-67.4	0	173.6	-74.7	-174.9	168.6	0	0	112.2

Retrieved 857 of 857 residues in 676 ms (Link to these results)

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