A0A087X8Y0_POEFO Loading...

HECT domain containing 3

AlphaFold DB , UniProt , Accession A0A087X8Y0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 856 aa.

						>A0A087X8Y0_POEFO|A0A087X8Y0
MALGDNPHLLLGRIRFLNRCIESFRRSEPIPESLCYVPKEVCYKICKDSSSSCSAAAGAAAGGSTVGKTLLAIFESPHQVPHSKKSCKYSIEPKKGTCIRTTGEEYCNSQGLWVKINKEQLEELRPGQDLEEGWILVCKHTEGGDRLVPVESPETISRQQQLFGYDHKPCYRWEQVVDVENAIYIGSKPKIAECDSVAVQKLRYVPPTWTYECDEDLVHYFYDHIGKEDENLGSVKQCVTGIEVSSSSEDPSGGVTCLTDGDTETYWESDGMQGQHWIRLLMKRGTVVNKLILTVDSTDDNYMPKRVTVYGGEGDNLKKLSDVTIDDNLIGEVCVLEDMTSHLPVIEVRIEECRDEGIDVRIRGLKIKSSCERDLGLNADVFHSSNLVRYPRLQGTPPDILYRRALVIQRFISLLDNVLPHLVPAWDYSLGTFNQIKSIKQFLLLSKRRSALIIQCLKDSETSKPNFMPRLYINRRLAMEHRDNPSLDPSCKNAVFSQVYEGLKPSDKHEKTLDYRWPARYDQWWECKFIAEGIIDQGGGFRDSLADMSEELCPSSAECPMPLPFFTRTSNQGDFEARDYYVPNPSCKDFHKYEWIGQLMGAALRGKDFLVLALPGLVWKQLTGETVSWSKDFPAVDSVLVNLLEAMENMDKETFEFRFGEELVYTTPLTDGHMMDLIPGGSNVPVRYEDRKEFIRLVQKVRLEESRQQVAAMQAGLLKVVPQAVLDLLTWQEVEKKVCGDPEITVEALKRLTRYEDLEQSDVRVQYLWEALSNFTNEDRSRFLRFVTGRSRLPAPIYVFPDKQGSDTTDALPQSSTCSSTLYLPNYPSAKVCEEKLRYAAYNCVAIDTDMSPWEE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.6	Very low	61.3	Low	213 Å²	213	85.7 Å²	85.7	100%	1.049	49%	0.49	S	S	*	.				0	118.8	0	-79.5	174.9	-171.2	0	0	106.5	D5	M1-D5 HydrophobicContact CB-CB 4.17Å; M1-D5 HydrophobicContact CG-CB 4.28Å
2	A	28.6	Very low	63.5	Low	68 Å²	68	78.8 Å²	78.8	56%	0.562	45%	0.451	S	S	*	.			trans	-58.3	153.4	170.6	0	0	0	0	0	108	G4 D5	A2-G4 PolarHBondContact O-N 3.27Å; A2-D5 PolarHBondContact N-OD2 3.19Å; A2-D5 PolarHBondContact O-N 3.33Å
3	L	37.5	Very low	65.5	Low	154 Å²	154	75.9 Å²	75.9	81%	0.806	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-55.8	-17.1	177.7	-95	120.7	0	0	0	113.1	L9	L3-L9 WeakPolarHBondContact O-CD2 2.97Å
4	G	42.6	Very low	67.1	Low	47 Å²	47	72.4 Å²	72.4	49%	0.485	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-75.9	-16.3	173.1	0	0	0	0	0	116.2	A2	A2-G4 PolarHBondContact O-N 3.27Å
5	D	52.9	Low	68.5	Low	97 Å²	97	77.1 Å²	77.1	52%	0.519	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-93	2.1	-173.5	-57.2	-36.5	0	0	0	113.8	M1 A2 P7	M1-D5 HydrophobicContact CB-CB 4.17Å; M1-D5 HydrophobicContact CG-CB 4.28Å; A2-D5 PolarHBondContact N-OD2 3.19Å; A2-D5 PolarHBondContact O-N 3.33Å; D5-P7 WeakPolarHBondContact O-CD 3.35Å
6	N	74	Confident	70	Confident	72 Å²	72	72.3 Å²	72.3	39%	0.385	39%	0.39	S	S	.	.			trans	-83.8	108.6	179.1	-172.5	-30.2	0	0	0	110.5	H8 L9 L10	N6-H8 PolarHBondContact O-N 2.76Å; N6-H8 WeakPolarHBondContact OD1-CB 3.47Å; N6-H8 PolarHBondContact OD1-N 3.43Å; N6-L9 HydrophobicContact CB-CB 4.03Å; N6-L9 WeakPolarHBondContact O-CB 3.31Å; N6-L9 PolarHBondContact O-N 3.07Å; N6-L10 PolarHBondContact O-N 2.91Å; N6-L10 VanDerWaalsContact O-N 3.1Å
7	P	78.1	Confident	71.3	Confident	77 Å²	77	68.1 Å²	68.1	50%	0.5	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-27.7	-176.1	26.4	-35.4	0	0	0	112.8	D5 L11	D5-P7 WeakPolarHBondContact O-CD 3.35Å; P7-L11 VanDerWaalsContact O-CB 3.3Å; P7-L11 WeakPolarHBondContact O-CB 3.48Å; P7-L11 WeakPolarHBondContact O-CG 3.26Å; P7-L11 PolarHBondContact O-N 3.37Å
8	H	82.4	Confident	72.3	Confident	71 Å²	71	66.4 Å²	66.4	33%	0.329	36%	0.358	S	S	.	.	H	α-helix	trans	-70.2	-34.9	176.8	-62.3	-63.6	0	0	0	112.4	N6 G12 I183	N6-H8 PolarHBondContact O-N 2.76Å; N6-H8 WeakPolarHBondContact OD1-CB 3.47Å; N6-H8 PolarHBondContact OD1-N 3.43Å; H8-G12 PolarHBondContact O-N 3.32Å; H8-I183 HydrophobicContact CB-CB 4.24Å
9	L	82.2	Confident	73.4	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-70	-48.7	176.1	-165.9	69.7	0	0	0	110.3	L3 N6 G12 R13 D178 A182	L3-L9 WeakPolarHBondContact O-CD2 2.97Å; N6-L9 HydrophobicContact CB-CB 4.03Å; N6-L9 WeakPolarHBondContact O-CB 3.31Å; N6-L9 PolarHBondContact O-N 3.07Å; L9-G12 PolarHBondContact O-N 3.23Å; L9-R13 WeakPolarHBondContact O-CG 3.09Å; L9-R13 PolarHBondContact O-N 3.47Å; L9-D178 HydrophobicContact CD1-CB 3.43Å; L9-D178 VanDerWaalsContact CD1-CB 3.43Å; L9-D178 WeakPolarHBondContact CD1-OD1 3.21Å; L9-A182 HydrophobicContact CD1-CB 3.89Å
10	L	83.1	Confident	74.5	Confident	40 Å²	40	66.4 Å²	66.4	21%	0.209	35%	0.347	C	S	.	.	H	α-helix	trans	-57.8	-51.7	178.2	-179.4	63.1	0	0	0	111.4	N6 G12 R13 I14 V418 H421	N6-L10 PolarHBondContact O-N 2.91Å; N6-L10 VanDerWaalsContact O-N 3.1Å; L10-G12 VanDerWaalsContact C-N 3.3Å; L10-G12 PolarHBondContact O-N 3.36Å; L10-R13 PolarHBondContact O-N 3.46Å; L10-I14 HydrophobicContact CD1-CD1 4.42Å; L10-I14 HydrophobicContact CG-CD1 4.17Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.09Å; L10-V418 HydrophobicContact CD1-CB 4.39Å; L10-V418 HydrophobicContact CD1-CG1 3.98Å; L10-V418 HydrophobicContact CD1-CG2 4.12Å; L10-H421 HydrophobicContact CD1-CB 4.19Å; L10-H421 HydrophobicContact CD2-CB 3.97Å
11	L	84.4	Confident	75.4	Confident	86 Å²	86	63.2 Å²	63.2	45%	0.45	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-35.6	177.6	-70.6	172.2	0	0	0	112.4	P7 I14 R15	P7-L11 VanDerWaalsContact O-CB 3.3Å; P7-L11 WeakPolarHBondContact O-CB 3.48Å; P7-L11 WeakPolarHBondContact O-CG 3.26Å; P7-L11 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 3.29Å; L11-R15 WeakPolarHBondContact O-CG 3.4Å; L11-R15 PolarHBondContact O-N 2.84Å; L11-R15 VanDerWaalsContact O-N 3.07Å
12	G	88.2	Confident	78.5	Confident	2 Å²	2	57.2 Å²	57.2	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-48.5	173.7	0	0	0	0	0	112	H8 L9 L10 I14 R15 F16 N181	H8-G12 PolarHBondContact O-N 3.32Å; L9-G12 PolarHBondContact O-N 3.23Å; L10-G12 VanDerWaalsContact C-N 3.3Å; L10-G12 PolarHBondContact O-N 3.36Å; G12-I14 PolarHBondContact O-N 3.01Å; G12-R15 PolarHBondContact O-N 3.13Å; G12-F16 WeakPolarHBondContact O-CB 3.44Å; G12-F16 PolarHBondContact O-N 3.17Å; G12-N181 VanDerWaalsContact CA-O 3.25Å; G12-N181 WeakPolarHBondContact CA-O 3.34Å
13	R	88.9	Confident	81.6	Confident	42 Å²	42	54.7 Å²	54.7	16%	0.158	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-42	175.7	-71.2	-180	177.9	-175.7	-0.8	112.4	L9 L10 R15 F16 L17 D178 V418	L9-R13 WeakPolarHBondContact O-CG 3.09Å; L9-R13 PolarHBondContact O-N 3.47Å; L10-R13 PolarHBondContact O-N 3.46Å; R13-R15 PolarHBondContact O-N 3.33Å; R13-F16 WeakPolarHBondContact O-CB 3.43Å; R13-F16 PolarHBondContact O-N 2.95Å; R13-L17 WeakPolarHBondContact O-CB 3.36Å; R13-L17 VanDerWaalsContact O-CG 3.32Å; R13-L17 WeakPolarHBondContact O-CG 3.25Å; R13-L17 PolarHBondContact O-N 3.36Å; R13-D178 IonicContact CZ-OD1 2.67Å; R13-D178 IonicContact CZ-OD2 3.64Å; R13-D178 IonicContact NE-OD1 3.91Å; R13-D178 PolarHBondContact NE-OD1 2.88Å; R13-D178 IonicContact NE-OD2 3.52Å; R13-D178 IonicContact NH2-OD1 2.87Å; R13-D178 PolarHBondContact NH2-OD1 2.87Å; R13-D178 IonicContact NH2-OD2 3.61Å; R13-D178 PolarHBondContact NH2-OD2 2.93Å; R13-V418 HydrophobicContact CB-CG2 3.88Å
14	I	87.4	Confident	84.4	Confident	26 Å²	26	47.3 Å²	47.3	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-47.9	176.6	-68.4	167.2	0	0	0	111.2	L10 L11 G12 F16 L17 N18 V418 L422 F433	L10-I14 HydrophobicContact CD1-CD1 4.42Å; L10-I14 HydrophobicContact CG-CD1 4.17Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.09Å; L11-I14 PolarHBondContact O-N 3.29Å; G12-I14 PolarHBondContact O-N 3.01Å; I14-F16 VanDerWaalsContact C-N 3.28Å; I14-F16 PolarHBondContact O-N 3.46Å; I14-L17 PolarHBondContact O-N 3.07Å; I14-N18 PolarHBondContact O-N 3.46Å; I14-N18 PolarHBondContact O-ND2 3.03Å; I14-V418 HydrophobicContact CD1-CG1 4Å; I14-V418 HydrophobicContact CG1-CG1 3.34Å; I14-L422 HydrophobicContact CD1-CD2 3.72Å; I14-L422 HydrophobicContact CG1-CD2 3.98Å; I14-F433 HydrophobicContact CG2-CD2 3.87Å; I14-F433 HydrophobicContact CG2-CE2 4.02Å
15	R	88.1	Confident	86.8	Confident	144 Å²	144	51 Å²	51	54%	0.543	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-39.8	177	-71.2	173.3	-173.6	167	2.2	111.7	L11 G12 R13 N18 R19	L11-R15 WeakPolarHBondContact O-CG 3.4Å; L11-R15 PolarHBondContact O-N 2.84Å; L11-R15 VanDerWaalsContact O-N 3.07Å; G12-R15 PolarHBondContact O-N 3.13Å; R13-R15 PolarHBondContact O-N 3.33Å; R15-N18 PolarHBondContact O-N 3.03Å; R15-R19 PolarHBondContact O-N 3.38Å
16	F	92.7	Very high	88.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-47.2	177.2	-176.3	-106.6	0	0	0	112.2	G12 R13 I14 N18 R19 C20 P31 S33 L34 V177 N181 L414	G12-F16 WeakPolarHBondContact O-CB 3.44Å; G12-F16 PolarHBondContact O-N 3.17Å; R13-F16 WeakPolarHBondContact O-CB 3.43Å; R13-F16 PolarHBondContact O-N 2.95Å; I14-F16 VanDerWaalsContact C-N 3.28Å; I14-F16 PolarHBondContact O-N 3.46Å; F16-N18 VanDerWaalsContact C-N 3.31Å; F16-N18 PolarHBondContact O-N 2.87Å; F16-R19 WeakPolarHBondContact O-CB 3.46Å; F16-R19 PolarHBondContact O-N 2.89Å; F16-R19 VanDerWaalsContact O-N 3.09Å; F16-C20 VanDerWaalsContact CE1-SG 3.58Å; F16-C20 PolarHBondContact O-N 3.3Å; F16-C20 PolarHBondContact O-SG 2.87Å; F16-P31 HydrophobicContact CE2-CB 3.52Å; F16-P31 HydrophobicContact CE2-CG 4.04Å; F16-P31 HydrophobicContact CZ-CB 3.88Å; F16-P31 HydrophobicContact CZ-CG 4.41Å; F16-S33 WeakPolarHBondContact CE2-OG 3.35Å; F16-S33 VanDerWaalsContact CZ-OG 3.25Å; F16-S33 WeakPolarHBondContact CZ-OG 3.36Å; F16-L34 HydrophobicContact CE1-CB 4.09Å; F16-L34 HydrophobicContact CE1-CD1 4.05Å; F16-L34 HydrophobicContact CZ-CB 3.87Å; F16-V177 HydrophobicContact CB-CG1 4.3Å; F16-V177 HydrophobicContact CD1-CB 4.45Å; F16-V177 HydrophobicContact CD1-CG1 3.38Å; F16-V177 HydrophobicContact CD1-CG2 4.22Å; F16-V177 HydrophobicContact CD2-CG1 4.37Å; F16-V177 HydrophobicContact CE1-CB 4.29Å; F16-V177 HydrophobicContact CE1-CG1 3.67Å; F16-V177 HydrophobicContact CE1-CG2 3.59Å; F16-V177 HydrophobicContact CG-CG1 3.75Å; F16-V177 HydrophobicContact CZ-CG1 4.28Å; F16-V177 HydrophobicContact CZ-CG2 3.76Å; F16-N181 HydrophobicContact CB-CB 4.24Å; F16-N181 VanDerWaalsContact CD2-ND2 3.27Å; F16-N181 WeakPolarHBondContact CD2-ND2 3.14Å; F16-L414 HydrophobicContact CD1-CD1 3.84Å; F16-L414 HydrophobicContact CE1-CD1 3.82Å
17	L	92.4	Very high	89.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-44.6	175.5	-73.8	169.2	0	0	0	111.2	R13 I14 R19 C20 I21 F411 L414 L415 V418 F433	R13-L17 WeakPolarHBondContact O-CB 3.36Å; R13-L17 VanDerWaalsContact O-CG 3.32Å; R13-L17 WeakPolarHBondContact O-CG 3.25Å; R13-L17 PolarHBondContact O-N 3.36Å; I14-L17 PolarHBondContact O-N 3.07Å; L17-R19 VanDerWaalsContact C-N 3.3Å; L17-R19 PolarHBondContact O-N 3.01Å; L17-C20 WeakPolarHBondContact O-CB 3.22Å; L17-C20 PolarHBondContact O-N 2.68Å; L17-C20 VanDerWaalsContact O-N 3.1Å; L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 2.8Å; L17-F411 HydrophobicContact CB-CE2 4.46Å; L17-F411 HydrophobicContact CD2-CD2 3.62Å; L17-F411 HydrophobicContact CD2-CE2 3.45Å; L17-F411 VanDerWaalsContact CD2-CE2 3.45Å; L17-F411 HydrophobicContact CD2-CZ 4.26Å; L17-L414 HydrophobicContact CD2-CB 3.88Å; L17-L415 HydrophobicContact CD1-CD1 4.21Å; L17-L415 HydrophobicContact CD2-CB 4.37Å; L17-V418 HydrophobicContact CD1-CB 4.13Å; L17-V418 HydrophobicContact CD1-CG1 4.32Å; L17-V418 HydrophobicContact CD1-CG2 4.11Å; L17-F433 HydrophobicContact CB-CZ 4.48Å
18	N	89.9	Confident	90.5	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.203	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-42.1	175.5	-77.8	-33.6	0	0	0	112.9	I14 R15 F16 I21 E22 F433 Q435	I14-N18 PolarHBondContact O-N 3.46Å; I14-N18 PolarHBondContact O-ND2 3.03Å; R15-N18 PolarHBondContact O-N 3.03Å; F16-N18 VanDerWaalsContact C-N 3.31Å; F16-N18 PolarHBondContact O-N 2.87Å; N18-I21 PolarHBondContact O-N 2.73Å; N18-E22 WeakPolarHBondContact O-CG 3.44Å; N18-E22 PolarHBondContact O-N 2.97Å; N18-F433 WeakPolarHBondContact OD1-CE2 3.16Å; N18-Q435 WeakPolarHBondContact OD1-CB 3.31Å; N18-Q435 WeakPolarHBondContact OD1-CG 3.27Å
19	R	92.6	Very high	91.1	Very high	133 Å²	133	52.3 Å²	52.3	50%	0.502	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-42.1	175.7	-68.5	174.5	62.6	-163.6	-1.1	111.7	R15 F16 L17 I21 E22 S23 P31	R15-R19 PolarHBondContact O-N 3.38Å; F16-R19 WeakPolarHBondContact O-CB 3.46Å; F16-R19 PolarHBondContact O-N 2.89Å; F16-R19 VanDerWaalsContact O-N 3.09Å; L17-R19 VanDerWaalsContact C-N 3.3Å; L17-R19 PolarHBondContact O-N 3.01Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-E22 PolarHBondContact O-N 3.44Å; R19-S23 PolarHBondContact O-N 3.31Å; R19-S23 PolarHBondContact O-OG 3.11Å; R19-P31 HydrophobicContact CB-CG 4.46Å
20	C	95.1	Very high	91.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-43	175.4	-65.8	0	0	0	0	111.6	F16 L17 E22 S23 F24 F411	F16-C20 VanDerWaalsContact CE1-SG 3.58Å; F16-C20 PolarHBondContact O-N 3.3Å; F16-C20 PolarHBondContact O-SG 2.87Å; L17-C20 WeakPolarHBondContact O-CB 3.22Å; L17-C20 PolarHBondContact O-N 2.68Å; L17-C20 VanDerWaalsContact O-N 3.1Å; C20-E22 VanDerWaalsContact C-N 3.34Å; C20-E22 PolarHBondContact O-N 2.77Å; C20-S23 PolarHBondContact O-N 3.1Å; C20-F24 HydrophobicContact CB-CE2 4.41Å; C20-F24 WeakPolarHBondContact O-CD2 3.25Å; C20-F24 PolarHBondContact O-N 3.03Å; C20-F411 HydrophobicContact CB-CD2 3.76Å; C20-F411 HydrophobicContact CB-CE2 3.85Å
21	I	93.8	Very high	92.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-46.2	177	-65.8	169.8	0	0	0	110.7	L17 N18 R19 S23 F24 R25 F411 F433 Q435 S438 I439	L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 2.8Å; N18-I21 PolarHBondContact O-N 2.73Å; R19-I21 VanDerWaalsContact C-N 3.34Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.06Å; I21-F24 PolarHBondContact O-N 2.96Å; I21-R25 HydrophobicContact CG2-CG 4.44Å; I21-R25 WeakPolarHBondContact O-CG 3.23Å; I21-R25 PolarHBondContact O-N 3.06Å; I21-F411 HydrophobicContact CD1-CZ 4.4Å; I21-F411 HydrophobicContact CG1-CE2 4.01Å; I21-F411 HydrophobicContact CG1-CZ 3.79Å; I21-F433 HydrophobicContact CD1-CE1 4.15Å; I21-F433 HydrophobicContact CD1-CZ 3.64Å; I21-Q435 HydrophobicContact CD1-CB 3.94Å; I21-S438 WeakPolarHBondContact CG2-OG 3.41Å; I21-I439 HydrophobicContact CB-CG2 4.23Å; I21-I439 HydrophobicContact CD1-CD1 3.71Å; I21-I439 HydrophobicContact CD1-CG1 4.26Å; I21-I439 HydrophobicContact CD1-CG2 4.18Å; I21-I439 HydrophobicContact CG1-CD1 4.15Å; I21-I439 HydrophobicContact CG1-CG2 3.76Å; I21-I439 HydrophobicContact CG2-CG2 3.63Å
22	E	93.1	Very high	92.8	Very high	87 Å²	87	50.1 Å²	50.1	41%	0.407	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-42.5	175.6	-72.8	177.7	-176.8	0	0	112.1	N18 R19 C20 R25 R26	N18-E22 WeakPolarHBondContact O-CG 3.44Å; N18-E22 PolarHBondContact O-N 2.97Å; R19-E22 PolarHBondContact O-N 3.44Å; C20-E22 VanDerWaalsContact C-N 3.34Å; C20-E22 PolarHBondContact O-N 2.77Å; E22-R25 PolarHBondContact O-N 2.97Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 3.18Å
23	S	95.1	Very high	93.1	Very high	14 Å²	14	50.1 Å²	50.1	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-42.8	176	-63.4	0	0	0	0	112.5	R19 C20 I21 R26 S27 E28	R19-S23 PolarHBondContact O-N 3.31Å; R19-S23 PolarHBondContact O-OG 3.11Å; C20-S23 PolarHBondContact O-N 3.1Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.06Å; S23-R26 PolarHBondContact O-N 2.97Å; S23-S27 PolarHBondContact O-N 2.9Å; S23-E28 PolarHBondContact O-N 3.2Å
24	F	95.2	Very high	93.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-50	173.9	-75.9	-62.4	0	0	0	111.3	C20 I21 R26 S27 I30 Y211 D214 I408 F411 F442	C20-F24 HydrophobicContact CB-CE2 4.41Å; C20-F24 WeakPolarHBondContact O-CD2 3.25Å; C20-F24 PolarHBondContact O-N 3.03Å; I21-F24 PolarHBondContact O-N 2.96Å; F24-R26 VanDerWaalsContact C-N 3.26Å; F24-R26 PolarHBondContact O-N 3.09Å; F24-S27 PolarHBondContact O-N 3.41Å; F24-I30 HydrophobicContact CD1-CD1 3.79Å; F24-I30 HydrophobicContact CD2-CD1 4Å; F24-I30 HydrophobicContact CE1-CD1 3.69Å; F24-I30 HydrophobicContact CE1-CG1 4.16Å; F24-I30 HydrophobicContact CE2-CD1 3.9Å; F24-I30 HydrophobicContact CG-CD1 3.93Å; F24-I30 HydrophobicContact CZ-CD1 3.74Å; F24-I30 HydrophobicContact CZ-CG1 4.21Å; F24-Y211 HydrophobicContact CB-CD2 4.06Å; F24-Y211 HydrophobicContact CB-CE2 3.95Å; F24-Y211 WeakPolarHBondContact O-CD2 3.12Å; F24-D214 WeakPolarHBondContact CD1-OD2 3.2Å; F24-I408 HydrophobicContact CE1-CG1 3.91Å; F24-I408 HydrophobicContact CZ-CG1 4.04Å; F24-F411 HydrophobicContact CE2-CB 4.2Å; F24-F411 HydrophobicContact CE2-CD1 4.12Å; F24-F411 AromaticContact CE2-CD2 3.96Å; F24-F411 HydrophobicContact CE2-CD2 3.96Å; F24-F411 HydrophobicContact CE2-CE2 4.36Å; F24-F411 AromaticContact CE2-CG 3.82Å; F24-F411 HydrophobicContact CE2-CG 3.82Å; F24-F411 HydrophobicContact CZ-CB 4.41Å; F24-F411 HydrophobicContact CZ-CG 4.46Å; F24-F442 HydrophobicContact CB-CZ 4.48Å; F24-F442 HydrophobicContact CD1-CE1 4.21Å; F24-F442 HydrophobicContact CD1-CZ 4.21Å; F24-F442 HydrophobicContact CD2-CE1 4.17Å; F24-F442 HydrophobicContact CE1-CE1 4.22Å; F24-F442 HydrophobicContact CE2-CE1 4.18Å; F24-F442 HydrophobicContact CG-CE1 4.21Å; F24-F442 HydrophobicContact CG-CZ 4.19Å; F24-F442 HydrophobicContact CZ-CE1 4.21Å
25	R	92.3	Very high	93.9	Very high	125 Å²	125	46.9 Å²	46.9	47%	0.472	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-30.5	-177.8	-72.5	-177.2	68.5	-178.2	-0.3	114	I21 E22 Y211	I21-R25 HydrophobicContact CG2-CG 4.44Å; I21-R25 WeakPolarHBondContact O-CG 3.23Å; I21-R25 PolarHBondContact O-N 3.06Å; E22-R25 PolarHBondContact O-N 2.97Å; R25-Y211 HydrophobicContact CG-CD2 4.31Å; R25-Y211 HydrophobicContact CG-CE2 4.16Å
26	R	93.7	Very high	94.2	Very high	161 Å²	161	40.6 Å²	40.6	61%	0.608	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.5	176.5	-64.8	-179.1	-177.7	-170.4	3.4	113.2	E22 S23 F24 E28	E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 3.18Å; S23-R26 PolarHBondContact O-N 2.97Å; F24-R26 VanDerWaalsContact C-N 3.26Å; F24-R26 PolarHBondContact O-N 3.09Å; R26-E28 HydrophobicContact CB-CB 4.4Å; R26-E28 HydrophobicContact CB-CG 3.78Å; R26-E28 WeakPolarHBondContact CD-OE1 3.1Å; R26-E28 PolarHBondContact O-N 3.48Å
27	S	94.4	Very high	94.1	Very high	30 Å²	30	40.9 Å²	40.9	21%	0.21	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	37.8	-173.3	-50.6	0	0	0	0	112.2	S23 F24 V205 W209 T210 Y211	S23-S27 PolarHBondContact O-N 2.9Å; F24-S27 PolarHBondContact O-N 3.41Å; S27-V205 WeakPolarHBondContact O-CG1 3.13Å; S27-W209 VanDerWaalsContact CB-O 3.27Å; S27-W209 WeakPolarHBondContact CB-O 3.46Å; S27-W209 PolarHBondContact OG-O 2.98Å; S27-T210 VanDerWaalsContact OG-C 3.28Å; S27-T210 VanDerWaalsContact OG-CA 3.3Å; S27-T210 WeakPolarHBondContact OG-CA 2.83Å; S27-Y211 PolarHBondContact OG-N 2.87Å
28	E	95.1	Very high	94	Very high	86 Å²	86	41.8 Å²	41.8	40%	0.402	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-95	159.2	178.2	-73.6	175.3	-172	0	0	111.2	S23 R26 I30	S23-E28 PolarHBondContact O-N 3.2Å; R26-E28 HydrophobicContact CB-CB 4.4Å; R26-E28 HydrophobicContact CB-CG 3.78Å; R26-E28 WeakPolarHBondContact CD-OE1 3.1Å; R26-E28 PolarHBondContact O-N 3.48Å; E28-I30 PolarHBondContact O-N 3.37Å
29	P	95.7	Very high	93.9	Very high	67 Å²	67	44.9 Å²	44.9	44%	0.435	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-56.2	128.4	172.5	-26	35.6	0	0	0	112.2	R203	P29-R203 HydrophobicContact CB-CB 4.37Å
30	I	94.9	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-63	150.7	177.7	-59.5	-57.5	0	0	0	110.5	F24 E28 L34 R203 V407	F24-I30 HydrophobicContact CD1-CD1 3.79Å; F24-I30 HydrophobicContact CD2-CD1 4Å; F24-I30 HydrophobicContact CE1-CD1 3.69Å; F24-I30 HydrophobicContact CE1-CG1 4.16Å; F24-I30 HydrophobicContact CE2-CD1 3.9Å; F24-I30 HydrophobicContact CG-CD1 3.93Å; F24-I30 HydrophobicContact CZ-CD1 3.74Å; F24-I30 HydrophobicContact CZ-CG1 4.21Å; E28-I30 PolarHBondContact O-N 3.37Å; I30-L34 HydrophobicContact CG2-CB 4.02Å; I30-L34 HydrophobicContact CG2-CD2 3.67Å; I30-L34 HydrophobicContact CG2-CG 4.44Å; I30-R203 PolarHBondContact O-NE 3.06Å; I30-V407 HydrophobicContact CB-CG1 4.16Å; I30-V407 HydrophobicContact CG1-CG1 3.9Å; I30-V407 HydrophobicContact CG2-CG1 3.97Å
31	P	96.1	Very high	93.1	Very high	12 Å²	12	43.5 Å²	43.5	8%	0.078	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-51.7	140.8	176.2	-30.7	37.2	0	0	0	114	F16 R19 S33 L34	F16-P31 HydrophobicContact CE2-CB 3.52Å; F16-P31 HydrophobicContact CE2-CG 4.04Å; F16-P31 HydrophobicContact CZ-CB 3.88Å; F16-P31 HydrophobicContact CZ-CG 4.41Å; R19-P31 HydrophobicContact CB-CG 4.46Å; P31-S33 VanDerWaalsContact C-N 3.27Å; P31-S33 PolarHBondContact O-N 3.07Å; P31-L34 PolarHBondContact O-N 3.5Å; P31-L34 VanDerWaalsContact O-N 3.16Å
32	E	94.9	Very high	92.6	Very high	85 Å²	85	43.9 Å²	43.9	40%	0.397	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.1	-171.4	-163.8	165.8	153.3	0	0	114	L34 C35 Y36 V199 R203	E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.47Å; E32-C35 CarbonylContact O-C 3.52Å; E32-C35 VanDerWaalsContact O-C 3.25Å; E32-C35 WeakPolarHBondContact O-CA 3.42Å; E32-C35 PolarHBondContact O-N 3.25Å; E32-Y36 PolarHBondContact O-N 3.36Å; E32-V199 HydrophobicContact CG-CG1 3.51Å; E32-R203 IonicContact OE2-NH1 3.66Å; E32-R203 PolarHBondContact OE2-NH1 3Å
33	S	94.5	Very high	91.9	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.5	179.2	46.3	0	0	0	0	114.1	F16 P31 C35 Y36 E180	F16-S33 WeakPolarHBondContact CE2-OG 3.35Å; F16-S33 VanDerWaalsContact CZ-OG 3.25Å; F16-S33 WeakPolarHBondContact CZ-OG 3.36Å; P31-S33 VanDerWaalsContact C-N 3.27Å; P31-S33 PolarHBondContact O-N 3.07Å; S33-C35 VanDerWaalsContact C-N 3.31Å; S33-Y36 VanDerWaalsContact O-CB 3.3Å; S33-Y36 WeakPolarHBondContact O-CB 3.18Å; S33-Y36 PolarHBondContact O-N 3.49Å; S33-E180 WeakPolarHBondContact CB-OE2 3.43Å; S33-E180 PolarHBondContact OG-OE2 3.38Å
34	L	95.5	Very high	91.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-33.6	174.1	-164.1	71.4	0	0	0	111.2	F16 I30 P31 E32 Y36 W173 V407 R410 F411 L414	F16-L34 HydrophobicContact CE1-CB 4.09Å; F16-L34 HydrophobicContact CE1-CD1 4.05Å; F16-L34 HydrophobicContact CZ-CB 3.87Å; I30-L34 HydrophobicContact CG2-CB 4.02Å; I30-L34 HydrophobicContact CG2-CD2 3.67Å; I30-L34 HydrophobicContact CG2-CG 4.44Å; P31-L34 PolarHBondContact O-N 3.5Å; P31-L34 VanDerWaalsContact O-N 3.16Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.47Å; L34-Y36 VanDerWaalsContact C-N 3.27Å; L34-Y36 PolarHBondContact O-N 2.97Å; L34-W173 HydrophobicContact CD1-CE3 3.74Å; L34-W173 HydrophobicContact CD1-CH2 4.32Å; L34-W173 HydrophobicContact CD1-CZ3 3.45Å; L34-W173 VanDerWaalsContact CD1-CZ3 3.45Å; L34-V407 HydrophobicContact CD2-CG1 3.91Å; L34-R410 HydrophobicContact CD1-CB 3.85Å; L34-R410 HydrophobicContact CG-CB 4.06Å; L34-R410 VanDerWaalsContact O-CD 3.24Å; L34-R410 WeakPolarHBondContact O-CD 3.44Å; L34-R410 PolarHBondContact O-NH1 2.97Å; L34-F411 HydrophobicContact CD2-CB 3.95Å; L34-L414 HydrophobicContact CD1-CD1 3.65Å; L34-L414 HydrophobicContact CD1-CG 4.47Å
35	C	96	Very high	90	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.7	177.9	-61.7	0	0	0	0	112.9	E32 S33 V37 V199 L202 R203	E32-C35 CarbonylContact O-C 3.52Å; E32-C35 VanDerWaalsContact O-C 3.25Å; E32-C35 WeakPolarHBondContact O-CA 3.42Å; E32-C35 PolarHBondContact O-N 3.25Å; S33-C35 VanDerWaalsContact C-N 3.31Å; C35-V37 PolarHBondContact O-N 3.39Å; C35-V199 HydrophobicContact CB-CG1 4.37Å; C35-V199 WeakPolarHBondContact O-CG2 3.41Å; C35-L202 HydrophobicContact CB-CB 3.84Å; C35-L202 HydrophobicContact CB-CD1 4.37Å; C35-R203 HydrophobicContact CB-CG 3.61Å; C35-R203 WeakPolarHBondContact SG-CG 3.45Å
36	Y	95	Very high	88.7	Confident	12 Å²	12	41.6 Å²	41.6	5%	0.047	21%	0.205	C	C	.	.			trans	-59.3	132.7	-177.3	176.3	-89.6	0	0	0	110.6	E32 S33 L34 P38 W173 V176 I191 A192 C194 R410	E32-Y36 PolarHBondContact O-N 3.36Å; S33-Y36 VanDerWaalsContact O-CB 3.3Å; S33-Y36 WeakPolarHBondContact O-CB 3.18Å; S33-Y36 PolarHBondContact O-N 3.49Å; L34-Y36 VanDerWaalsContact C-N 3.27Å; L34-Y36 PolarHBondContact O-N 2.97Å; Y36-P38 HydrophobicContact CE1-CB 4.1Å; Y36-W173 HydrophobicContact CD1-CB 4.35Å; Y36-V176 HydrophobicContact CD1-CG2 3.79Å; Y36-V176 HydrophobicContact CD2-CB 4.41Å; Y36-V176 HydrophobicContact CD2-CG1 4.14Å; Y36-V176 HydrophobicContact CD2-CG2 3.81Å; Y36-V176 HydrophobicContact CE1-CG2 3.95Å; Y36-V176 HydrophobicContact CE2-CG2 3.95Å; Y36-V176 HydrophobicContact CG-CB 4.2Å; Y36-V176 HydrophobicContact CG-CG1 4.3Å; Y36-V176 HydrophobicContact CG-CG2 3.72Å; Y36-I191 HydrophobicContact CD2-CG2 4.38Å; Y36-I191 HydrophobicContact CE2-CG2 3.69Å; Y36-A192 WeakPolarHBondContact OH-CB 3.22Å; Y36-A192 PolarHBondContact OH-O 2.96Å; Y36-A192 VanDerWaalsContact OH-O 3.07Å; Y36-C194 HydrophobicContact CD2-CB 3.87Å; Y36-C194 HydrophobicContact CE2-CB 3.66Å; Y36-R410 PolarHBondContact O-NH1 3.09Å
37	V	91.9	Very high	87.2	Confident	5 Å²	5	39.2 Å²	39.2	3%	0.03	20%	0.199	C	C	.	.			trans	-131.3	121.9	174.4	178.7	0	0	0	0	106.7	C35 G103 C194 D195 A198 V199 L202	C35-V37 PolarHBondContact O-N 3.39Å; V37-G103 WeakPolarHBondContact CG1-O 3.33Å; V37-C194 CarbonylContact O-C 3.6Å; V37-C194 WeakPolarHBondContact O-CA 3.38Å; V37-C194 WeakPolarHBondContact O-CB 3.44Å; V37-D195 HydrophobicContact CG1-CB 4.26Å; V37-D195 PolarHBondContact O-N 2.8Å; V37-A198 HydrophobicContact CB-CB 3.94Å; V37-A198 HydrophobicContact CG1-CB 3.79Å; V37-A198 HydrophobicContact CG2-CB 4Å; V37-V199 HydrophobicContact CB-CG2 4.28Å; V37-L202 HydrophobicContact CG2-CD1 3.66Å
38	P	89.3	Confident	85.1	Confident	20 Å²	20	39.4 Å²	39.4	13%	0.13	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-65.2	141.9	178.6	26.8	-32.8	0	0	0	110.3	Y36 E40 V41 G103	Y36-P38 HydrophobicContact CE1-CB 4.1Å; P38-E40 PolarHBondContact O-N 3.28Å; P38-V41 HydrophobicContact CB-CG2 4.36Å; P38-V41 HydrophobicContact CG-CG2 3.61Å; P38-G103 WeakPolarHBondContact O-CA 3.47Å; P38-G103 PolarHBondContact O-N 2.71Å
39	K	88.6	Confident	82.6	Confident	102 Å²	102	40.2 Å²	40.2	44%	0.443	21%	0.213	S	C	.	.	S	Bend	trans	-63.6	-32.9	177.4	-177.9	174.8	169.9	-175.8	0	112.6	E193	K39-E193 HydrophobicContact CB-CB 4.14Å; K39-E193 VanDerWaalsContact CB-O 3.25Å; K39-E193 WeakPolarHBondContact CB-O 3.33Å; K39-E193 HydrophobicContact CD-CB 3.96Å; K39-E193 VanDerWaalsContact CD-OE2 3.31Å; K39-E193 WeakPolarHBondContact CD-OE2 3.36Å; K39-E193 PolarHBondContact N-O 3.37Å; K39-E193 IonicContact NZ-OE2 3.4Å; K39-E193 PolarHBondContact NZ-OE2 2.79Å
40	E	86.5	Confident	80	Confident	73 Å²	73	41 Å²	41	34%	0.341	22%	0.22	S	C	.	.			trans	-137.9	133.5	-179.8	-170	173.5	104.2	0	0	112.1	P38 R100 T101 N117	P38-E40 PolarHBondContact O-N 3.28Å; E40-R100 HydrophobicContact CG-CB 4.14Å; E40-R100 HydrophobicContact CG-CG 4.4Å; E40-R100 WeakPolarHBondContact OE1-CD 3.3Å; E40-R100 WeakPolarHBondContact OE2-CD 3.48Å; E40-R100 IonicContact OE2-NH1 2.76Å; E40-T101 CarbonylContact C-O 3.37Å; E40-T101 VanDerWaalsContact CA-O 3.26Å; E40-T101 WeakPolarHBondContact CA-O 3.22Å; E40-N117 PolarHBondContact OE2-ND2 3.37Å
41	V	83.2	Confident	77.3	Confident	32 Å²	32	44.8 Å²	44.8	19%	0.194	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.6	168.9	-174.4	0	0	0	0	108.3	P38 Y43 T101 P149	P38-V41 HydrophobicContact CB-CG2 4.36Å; P38-V41 HydrophobicContact CG-CG2 3.61Å; V41-Y43 HydrophobicContact CB-CE2 3.81Å; V41-Y43 HydrophobicContact CG1-CD2 4.11Å; V41-Y43 HydrophobicContact CG1-CE2 3.41Å; V41-Y43 VanDerWaalsContact CG1-CE2 3.41Å; V41-T101 PolarHBondContact N-O 2.86Å; V41-T101 PolarHBondContact O-N 3.02Å; V41-T101 PolarHBondContact O-OG1 3.04Å; V41-P149 HydrophobicContact CG1-CB 4.3Å
42	C	83.1	Confident	74.5	Confident	7 Å²	7	48.3 Å²	48.3	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.6	-176.3	-88	0	0	0	0	109.9	C98 I99 P149 V150	C42-C98 WeakPolarHBondContact CB-SG 3.06Å; C42-I99 CarbonylContact C-O 3.55Å; C42-I99 WeakPolarHBondContact CA-O 3.47Å; C42-P149 CarbonylContact O-C 3.25Å; C42-P149 VanDerWaalsContact O-CA 3.27Å; C42-P149 WeakPolarHBondContact O-CA 3.41Å; C42-V150 HydrophobicContact CB-CG2 4.25Å; C42-V150 VanDerWaalsContact CB-O 3.28Å; C42-V150 WeakPolarHBondContact CB-O 3.42Å; C42-V150 PolarHBondContact O-N 3.06Å
43	Y	79	Confident	71.4	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144	178.5	-69.1	-97.6	0	0	0	112.2	V41 C98 I99 T101 V114 V137 L147 V148 P149	V41-Y43 HydrophobicContact CB-CE2 3.81Å; V41-Y43 HydrophobicContact CG1-CD2 4.11Å; V41-Y43 HydrophobicContact CG1-CE2 3.41Å; V41-Y43 VanDerWaalsContact CG1-CE2 3.41Å; Y43-C98 CarbonylContact O-C 3.1Å; Y43-C98 WeakPolarHBondContact O-CA 3.38Å; Y43-I99 PolarHBondContact N-O 3.42Å; Y43-I99 PolarHBondContact O-N 3.42Å; Y43-T101 HydrophobicContact CD2-CG2 3.9Å; Y43-T101 WeakPolarHBondContact CD2-OG1 3.46Å; Y43-T101 HydrophobicContact CE2-CG2 4.3Å; Y43-T101 WeakPolarHBondContact CE2-OG1 3.49Å; Y43-V114 HydrophobicContact CE2-CG1 4.43Å; Y43-V114 HydrophobicContact CE2-CG2 4.33Å; Y43-V137 HydrophobicContact CD1-CG1 3.93Å; Y43-V137 HydrophobicContact CE1-CG1 3.8Å; Y43-L147 HydrophobicContact CD1-CB 4.12Å; Y43-L147 HydrophobicContact CG-CB 4.44Å; Y43-V148 CarbonylContact C-O 3.49Å; Y43-V148 VanDerWaalsContact CA-O 3.31Å; Y43-V148 WeakPolarHBondContact CA-O 3.18Å; Y43-P149 HydrophobicContact CD1-CB 4.21Å; Y43-P149 HydrophobicContact CE1-CB 3.94Å; Y43-P149 HydrophobicContact CE1-CG 4.27Å
44	K	78	Confident	68.4	Low	82 Å²	82	54.7 Å²	54.7	36%	0.357	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.9	171.5	-86.1	-179.6	-172.9	168.9	0	111.7	C46 L147 V148 V150	K44-C46 PolarHBondContact O-N 3.33Å; K44-L147 WeakPolarHBondContact O-CA 3.42Å; K44-V148 PolarHBondContact N-O 3.08Å; K44-V148 PolarHBondContact O-N 3.48Å; K44-V150 HydrophobicContact CB-CG1 4.01Å; K44-V150 HydrophobicContact CB-CG2 4.21Å; K44-V150 HydrophobicContact CD-CB 4.47Å; K44-V150 HydrophobicContact CD-CG1 4.07Å; K44-V150 HydrophobicContact CD-CG2 3.95Å; K44-V150 HydrophobicContact CG-CG1 4.24Å; K44-V150 HydrophobicContact CG-CG2 3.75Å
45	I	73.4	Confident	65.4	Low	48 Å²	48	58.8 Å²	58.8	25%	0.246	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119	175.9	-59.3	168.6	0	0	0	109.3	K47 T69 L71 P93 D145 R146 L147	I45-K47 HydrophobicContact CG2-CG 4.4Å; I45-T69 HydrophobicContact CD1-CG2 4.14Å; I45-T69 HydrophobicContact CG2-CG2 4.42Å; I45-L71 HydrophobicContact CD1-CD1 3.83Å; I45-L71 HydrophobicContact CG1-CD1 4.36Å; I45-P93 HydrophobicContact CD1-CB 4.37Å; I45-P93 HydrophobicContact CD1-CG 3.53Å; I45-D145 HydrophobicContact CG2-CB 4.17Å; I45-R146 CarbonylContact C-O 3.5Å; I45-R146 WeakPolarHBondContact CA-O 3.41Å; I45-L147 HydrophobicContact CB-CD2 4.4Å; I45-L147 HydrophobicContact CG1-CD2 3.46Å; I45-L147 VanDerWaalsContact CG1-CD2 3.46Å; I45-L147 HydrophobicContact CG1-CG 4.45Å
46	C	64.9	Low	62.3	Low	44 Å²	44	63.3 Å²	63.3	30%	0.297	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.7	168.9	-177.9	0	0	0	0	107.8	K44 R146 V148	K44-C46 PolarHBondContact O-N 3.33Å; C46-R146 HydrophobicContact CB-CG 3.71Å; C46-R146 PolarHBondContact N-O 2.78Å; C46-R146 WeakPolarHBondContact O-CG 3.23Å; C46-R146 PolarHBondContact O-N 2.73Å; C46-R146 PolarHBondContact SG-NE 3.26Å; C46-R146 VanDerWaalsContact SG-NE 3.42Å; C46-V148 HydrophobicContact CB-CG2 3.85Å
47	K	61	Low	59.4	Low	111 Å²	111	67.8 Å²	67.8	48%	0.483	43%	0.434	S	S	.	.			trans	-85.7	131.3	178.7	-61.3	-156.4	167.9	-158.8	0	110	I45 S49 G67 T69 D145	I45-K47 HydrophobicContact CG2-CG 4.4Å; K47-S49 PolarHBondContact O-N 3.47Å; K47-G67 PolarHBondContact NZ-O 2.99Å; K47-T69 VanDerWaalsContact CE-OG1 3.23Å; K47-T69 WeakPolarHBondContact CE-OG1 3.42Å; K47-T69 PolarHBondContact NZ-OG1 3.41Å; K47-D145 WeakPolarHBondContact CA-OD1 3.35Å; K47-D145 WeakPolarHBondContact CG-OD1 3.49Å
48	D	51.3	Low	56.5	Low	35 Å²	35	70.9 Å²	70.9	19%	0.187	47%	0.467	C	S	.	.			trans	-71.2	115	171.3	-98.5	-17.6	0	0	0	110	S50 S51 G144	D48-S50 PolarHBondContact O-N 3.36Å; D48-S50 VanDerWaalsContact O-N 3.15Å; D48-S51 PolarHBondContact O-N 3.14Å; D48-S51 PolarHBondContact O-OG 3.41Å; D48-G144 PolarHBondContact OD2-N 3.37Å
49	S	41.4	Very low	53.6	Low	103 Å²	103	75 Å²	75	72%	0.72	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-66.6	-7.3	177.8	28.1	0	0	0	0	114.1	K47 S52	K47-S49 PolarHBondContact O-N 3.47Å; S49-S52 PolarHBondContact O-OG 3.04Å
50	S	42.3	Very low	51.1	Low	83 Å²	83	74.8 Å²	74.8	58%	0.58	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-80.3	-15.7	177.7	54.5	0	0	0	0	114	D48 S52	D48-S50 PolarHBondContact O-N 3.36Å; D48-S50 VanDerWaalsContact O-N 3.15Å; S50-S52 VanDerWaalsContact C-N 3.34Å; S50-S52 PolarHBondContact O-N 2.83Å
51	S	38.5	Very low	48.6	Very low	79 Å²	79	76.6 Å²	76.6	55%	0.552	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-79.1	-12.2	-178.5	61.2	0	0	0	0	114.4	D48	D48-S51 PolarHBondContact O-N 3.14Å; D48-S51 PolarHBondContact O-OG 3.41Å
52	S	35.7	Very low	46	Very low	86 Å²	86	78.7 Å²	78.7	60%	0.601	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-84.2	-7.4	-179.8	39.2	0	0	0	0	115.2	S49 S50	S49-S52 PolarHBondContact O-OG 3.04Å; S50-S52 VanDerWaalsContact C-N 3.34Å; S50-S52 PolarHBondContact O-N 2.83Å
53	C	30.2	Very low	43.4	Very low	111 Å²	111	82 Å²	82	75%	0.75	61%	0.611	S	S	*	*	S	Bend	trans	-92.6	-9.5	-174.1	-72	0	0	0	0	115.3
54	S	31.2	Very low	41	Very low	111 Å²	111	87.4 Å²	87.4	78%	0.776	65%	0.65	S	S	*	*	S	Bend	trans	-96.6	-0.1	-179.4	52.2	0	0	0	0	114.9
55	A	33	Very low	38.7	Very low	86 Å²	86	90.1 Å²	90.1	71%	0.711	67%	0.673	S	S	*	*	S	Bend	trans	-109	19.1	-176.8	0	0	0	0	0	114.7
56	A	31.7	Very low	37.1	Very low	96 Å²	96	93.8 Å²	93.8	79%	0.793	70%	0.698	S	S	*	*	S	Bend	trans	-105.5	29.7	-179.3	0	0	0	0	0	114.1
57	A	33.1	Very low	36.2	Very low	105 Å²	105	94.5 Å²	94.5	87%	0.868	71%	0.713	S	S	*	*	S	Bend	trans	-142.7	74	171.2	0	0	0	0	0	110.9
58	G	30.7	Very low	36	Very low	70 Å²	70	96 Å²	96	72%	0.722	72%	0.719	S	S	*	*	S	Bend	trans	160	118.6	168.1	0	0	0	0	0	115
59	A	29.8	Very low	36.6	Very low	108 Å²	108	95.5 Å²	95.5	89%	0.893	72%	0.717	S	S	*	*			trans	84.1	112	161.7	0	0	0	0	0	118.9
60	A	34.7	Very low	38.1	Very low	97 Å²	97	96 Å²	96	80%	0.802	71%	0.712	S	S	*	*			trans	-68.6	155.3	157.9	0	0	0	0	0	111.8
61	A	34.7	Very low	39.8	Very low	111 Å²	111	92.9 Å²	92.9	92%	0.917	69%	0.688	S	S	*	*			trans	70.8	102.7	165.8	0	0	0	0	0	117.9
62	G	28.3	Very low	41.9	Very low	76 Å²	76	90.7 Å²	90.7	78%	0.784	68%	0.675	S	S	*	*			trans	157.5	125.3	166.2	0	0	0	0	0	111.6
63	G	27.7	Very low	44.2	Very low	76 Å²	76	86.6 Å²	86.6	78%	0.784	65%	0.646	S	S	*	*			trans	-50.8	142.3	-168.6	0	0	0	0	0	116.5	T65	G63-T65 PolarHBondContact O-N 3.02Å; G63-T65 VanDerWaalsContact O-N 3.13Å
64	S	28.6	Very low	46.8	Very low	118 Å²	118	82 Å²	82	83%	0.825	61%	0.614	S	S	*	*			trans	-61.7	109.2	178.9	65	0	0	0	0	111.8
65	T	30.2	Very low	49.3	Very low	138 Å²	138	82.4 Å²	82.4	85%	0.847	60%	0.603	S	S	*	*			trans	-101.2	110.2	158.4	40.3	0	0	0	0	107.8	G63 G67	G63-T65 PolarHBondContact O-N 3.02Å; G63-T65 VanDerWaalsContact O-N 3.13Å; T65-G67 PolarHBondContact O-N 3.09Å
66	V	40.5	Very low	51.6	Low	126 Å²	126	79.8 Å²	79.8	76%	0.764	58%	0.58	S	S	*	*			trans	-59.7	125.2	172.6	175.7	0	0	0	0	107.9	K68	V66-K68 PolarHBondContact O-N 3.48Å; V66-K68 VanDerWaalsContact O-N 3.1Å
67	G	46.3	Very low	54	Low	59 Å²	59	75.5 Å²	75.5	61%	0.608	54%	0.543	S	S	*	.			trans	-52.5	114.9	-177.4	0	0	0	0	0	112.5	K47 T65	K47-G67 PolarHBondContact NZ-O 2.99Å; T65-G67 PolarHBondContact O-N 3.09Å
68	K	55.8	Low	56.1	Low	142 Å²	142	75 Å²	75	62%	0.617	52%	0.523	S	S	*	.			trans	-76.8	124.8	178.3	-65.2	171.7	153.2	-122.7	0	109.6	V66 L70 E92	V66-K68 PolarHBondContact O-N 3.48Å; V66-K68 VanDerWaalsContact O-N 3.1Å; K68-L70 PolarHBondContact O-N 3.25Å; K68-E92 HydrophobicContact CB-CG 4.5Å; K68-E92 WeakPolarHBondContact CB-OE1 3.5Å; K68-E92 WeakPolarHBondContact CD-OE1 3.32Å; K68-E92 WeakPolarHBondContact CE-OE1 3.47Å; K68-E92 WeakPolarHBondContact CG-OE1 3.44Å; K68-E92 VanDerWaalsContact NZ-CD 3.31Å; K68-E92 IonicContact NZ-OE1 3.16Å; K68-E92 PolarHBondContact NZ-OE1 3.49Å; K68-E92 IonicContact NZ-OE2 2.68Å; K68-E92 PolarHBondContact NZ-OE2 2.9Å
69	T	63.6	Low	57.9	Low	25 Å²	25	74.3 Å²	74.3	15%	0.153	50%	0.501	C	S	.	.			trans	-82.4	110.3	175.4	-56.1	0	0	0	0	108.7	I45 K47 D145	I45-T69 HydrophobicContact CD1-CG2 4.14Å; I45-T69 HydrophobicContact CG2-CG2 4.42Å; K47-T69 VanDerWaalsContact CE-OG1 3.23Å; K47-T69 WeakPolarHBondContact CE-OG1 3.42Å; K47-T69 PolarHBondContact NZ-OG1 3.41Å; T69-D145 WeakPolarHBondContact CB-OD2 3.23Å; T69-D145 HydrophobicContact CG2-CB 4.16Å; T69-D145 WeakPolarHBondContact CG2-OD2 3.48Å; T69-D145 PolarHBondContact OG1-OD2 3.22Å
70	L	72.8	Confident	59.2	Low	114 Å²	114	73.6 Å²	73.6	60%	0.597	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-96.3	123.9	175.5	-87.2	151.7	0	0	0	109.6	K68	K68-L70 PolarHBondContact O-N 3.25Å
71	L	77.8	Confident	60.1	Low	17 Å²	17	71 Å²	71	9%	0.089	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.7	175	-99.6	145.5	0	0	0	109.3	I45 S90 I91 P93 I99 I135 L147	I45-L71 HydrophobicContact CD1-CD1 3.83Å; I45-L71 HydrophobicContact CG1-CD1 4.36Å; L71-S90 CarbonylContact O-C 3.47Å; L71-S90 VanDerWaalsContact O-CA 3.22Å; L71-S90 WeakPolarHBondContact O-CA 3.41Å; L71-I91 HydrophobicContact CB-CD1 4.16Å; L71-I91 HydrophobicContact CB-CG1 3.61Å; L71-I91 PolarHBondContact N-O 3.36Å; L71-I91 PolarHBondContact O-N 2.93Å; L71-P93 HydrophobicContact CD1-CG 3.63Å; L71-I99 HydrophobicContact CD1-CD1 3.4Å; L71-I135 HydrophobicContact CD2-CB 4.49Å; L71-L147 HydrophobicContact CD1-CD1 4.46Å; L71-L147 HydrophobicContact CD2-CD1 3.73Å
72	A	83.5	Confident	60.8	Low	33 Å²	33	73.6 Å²	73.6	27%	0.273	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.1	177.2	0	0	0	0	0	110.6	F74	A72-F74 HydrophobicContact CB-CD2 4.42Å; A72-F74 HydrophobicContact CB-CE2 3.55Å; A72-F74 HydrophobicContact CB-CZ 3.8Å
73	I	84.9	Confident	61.7	Low	0 Å²	0	72.8 Å²	72.8	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.4	-179.6	-52.6	-173.1	0	0	0	108.2	K88 Y89 I91 I116 L121 I135	I73-K88 PolarHBondContact O-N 3.16Å; I73-Y89 HydrophobicContact CB-CD2 3.83Å; I73-Y89 HydrophobicContact CB-CE2 3.61Å; I73-Y89 WeakPolarHBondContact CB-O 3.36Å; I73-Y89 HydrophobicContact CD1-CD2 3.87Å; I73-Y89 HydrophobicContact CD1-CE2 3.54Å; I73-Y89 HydrophobicContact CG1-CD2 4.16Å; I73-Y89 HydrophobicContact CG1-CE2 4.04Å; I73-Y89 HydrophobicContact CG2-CD2 4.32Å; I73-Y89 HydrophobicContact CG2-CE2 3.6Å; I73-Y89 PolarHBondContact N-O 3.21Å; I73-I91 HydrophobicContact CD1-CB 4.42Å; I73-I91 HydrophobicContact CD1-CD1 3.95Å; I73-I91 HydrophobicContact CD1-CG1 3.89Å; I73-I91 HydrophobicContact CD1-CG2 3.72Å; I73-I91 HydrophobicContact CG1-CG1 4.43Å; I73-I116 HydrophobicContact CD1-CD1 4.31Å; I73-I116 HydrophobicContact CD1-CG2 4.48Å; I73-I116 HydrophobicContact CG2-CG2 4.4Å; I73-L121 HydrophobicContact CD1-CD2 3.58Å; I73-I135 HydrophobicContact CD1-CG2 4.47Å; I73-I135 HydrophobicContact CG1-CG2 3.89Å
74	F	84.8	Confident	62.7	Low	15 Å²	15	79.3 Å²	79.3	7%	0.066	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	154.2	-172.6	-61.8	-94	0	0	0	110.4	A72 P81 W113 G133 W134	A72-F74 HydrophobicContact CB-CD2 4.42Å; A72-F74 HydrophobicContact CB-CE2 3.55Å; A72-F74 HydrophobicContact CB-CZ 3.8Å; F74-P81 HydrophobicContact CZ-CB 4.33Å; F74-W113 HydrophobicContact CB-CZ3 4.26Å; F74-W113 HydrophobicContact CD2-CH2 4.08Å; F74-W113 AromaticContact CD2-CZ3 3.5Å; F74-W113 HydrophobicContact CD2-CZ3 3.5Å; F74-W113 HydrophobicContact CE2-CH2 4.18Å; F74-W113 AromaticContact CE2-CZ3 3.94Å; F74-W113 HydrophobicContact CE2-CZ3 3.94Å; F74-W113 HydrophobicContact CG-CH2 4.34Å; F74-W113 AromaticContact CG-CZ3 3.94Å; F74-W113 HydrophobicContact CG-CZ3 3.94Å; F74-G133 CarbonylContact O-C 3.54Å; F74-G133 WeakPolarHBondContact O-CA 3.32Å; F74-W134 HydrophobicContact CB-CB 4.46Å; F74-W134 PolarHBondContact N-O 3.17Å; F74-W134 PolarHBondContact O-N 3.03Å
75	E	83.1	Confident	63.7	Low	119 Å²	119	83.3 Å²	83.3	56%	0.556	45%	0.445	S	S	*	.	S	Bend	trans	-75.5	-32.9	175.4	-174.8	176.9	-157.4	0	0	111.7
76	S	81.9	Confident	64.9	Low	31 Å²	31	77.8 Å²	77.8	22%	0.217	41%	0.411	C	S	.	.			trans	-148.7	143.9	-177.2	175.6	0	0	0	0	110.5	H78 Q79	S76-H78 PolarHBondContact O-N 3.26Å; S76-H78 PolarHBondContact OG-N 3.16Å; S76-H78 PolarHBondContact OG-ND1 3.12Å; S76-Q79 PolarHBondContact O-N 3.04Å
77	P	82.2	Confident	66.1	Low	5 Å²	5	73.9 Å²	73.9	3%	0.032	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.4	176.7	31	-35.6	0	0	0	112.7	Q79 Y106 N108 W113 W134	P77-Q79 VanDerWaalsContact C-N 3.31Å; P77-Q79 PolarHBondContact O-N 3.47Å; P77-Y106 HydrophobicContact CB-CD1 3.52Å; P77-Y106 HydrophobicContact CB-CE1 3.93Å; P77-Y106 HydrophobicContact CB-CG 4.36Å; P77-Y106 HydrophobicContact CG-CD1 3.42Å; P77-Y106 VanDerWaalsContact CG-CD1 3.42Å; P77-Y106 HydrophobicContact CG-CE1 3.71Å; P77-Y106 HydrophobicContact CG-CG 3.93Å; P77-N108 PolarHBondContact O-ND2 2.98Å; P77-W113 HydrophobicContact CB-CB 4.08Å; P77-W113 HydrophobicContact CB-CD2 3.77Å; P77-W113 HydrophobicContact CB-CE3 4.27Å; P77-W113 HydrophobicContact CB-CG 3.67Å; P77-W134 HydrophobicContact CB-CD2 4.41Å; P77-W134 HydrophobicContact CG-CD2 4.14Å; P77-W134 HydrophobicContact CG-CE3 4.47Å; P77-W134 HydrophobicContact CG-CG 4.47Å; P77-W134 HydrophobicContact CG-CZ2 4.47Å
78	H	76.3	Confident	67.3	Low	95 Å²	95	75.1 Å²	75.1	44%	0.44	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-8.4	178.5	-58.2	89.6	0	0	0	114	S76 Y106 D399	S76-H78 PolarHBondContact O-N 3.26Å; S76-H78 PolarHBondContact OG-N 3.16Å; S76-H78 PolarHBondContact OG-ND1 3.12Å; H78-Y106 AromaticContact NE2-CZ 3.81Å; H78-Y106 PolarHBondContact NE2-OH 3.43Å; H78-Y106 VanDerWaalsContact NE2-OH 3.1Å; H78-D399 IonicContact CE1-OD1 2.76Å; H78-D399 PolarHBondContact CE1-OD1 3.3Å; H78-D399 IonicContact CE1-OD2 3.98Å; H78-D399 PolarHBondContact CE1-OD2 3.4Å; H78-D399 IonicContact NE2-OD1 3.68Å; H78-D399 PolarHBondContact NE2-OD1 3.46Å; H78-D399 IonicContact NE2-OD2 2.93Å
79	Q	68.5	Low	68.3	Low	56 Å²	56	69.5 Å²	69.5	26%	0.262	35%	0.353	S	S	.	.	S	Bend	trans	-86.1	129.8	-176.7	-67.4	175.2	-7	0	0	111	S76 P77 P81 S86	S76-Q79 PolarHBondContact O-N 3.04Å; P77-Q79 VanDerWaalsContact C-N 3.31Å; P77-Q79 PolarHBondContact O-N 3.47Å; Q79-P81 WeakPolarHBondContact O-CD 2.99Å; Q79-S86 PolarHBondContact OE1-O 3.33Å; Q79-S86 VanDerWaalsContact OE1-O 3.09Å
80	V	57.4	Low	69	Low	92 Å²	92	70.4 Å²	70.4	56%	0.558	36%	0.361	S	S	*	.			trans	-69.7	121.1	-179	-173.6	0	0	0	0	110.5	H82 S86	V80-H82 HydrophobicContact CG1-CB 4.31Å; V80-H82 PolarHBondContact O-N 3.35Å; V80-S86 PolarHBondContact O-OG 3.05Å
81	P	54.1	Low	69.3	Low	43 Å²	43	65.3 Å²	65.3	28%	0.279	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-11.2	-173.7	-23.3	32.9	0	0	0	115.8	F74 Q79 S83 Q110 W113	F74-P81 HydrophobicContact CZ-CB 4.33Å; Q79-P81 WeakPolarHBondContact O-CD 2.99Å; P81-S83 VanDerWaalsContact C-N 3.32Å; P81-S83 PolarHBondContact O-N 3.36Å; P81-Q110 HydrophobicContact CG-CG 4.36Å; P81-W113 HydrophobicContact CG-CH2 4.4Å
82	H	49.5	Very low	69.3	Low	166 Å²	166	69.1 Å²	69.1	77%	0.769	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.4	-173.2	-64.1	-59.5	0	0	0	114.8	V80	V80-H82 HydrophobicContact CG1-CB 4.31Å; V80-H82 PolarHBondContact O-N 3.35Å
83	S	46.9	Very low	68.8	Low	58 Å²	58	68.2 Å²	68.2	41%	0.406	34%	0.342	S	S	.	.			trans	-100.5	118	175.9	166.4	0	0	0	0	110.6	P81 K85 S86	P81-S83 VanDerWaalsContact C-N 3.32Å; P81-S83 PolarHBondContact O-N 3.36Å; S83-K85 PolarHBondContact O-N 3.1Å; S83-K85 PolarHBondContact OG-N 3.2Å; S83-S86 PolarHBondContact O-N 3.01Å; S83-S86 PolarHBondContact O-OG 3.36Å
84	K	47.6	Very low	68.1	Low	214 Å²	214	76.4 Å²	76.4	93%	0.93	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-9.4	171	-78.5	-175.5	178.3	178.4	0	114
85	K	49.6	Very low	67.2	Low	202 Å²	202	86.2 Å²	86.2	88%	0.878	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.8	176.2	-68.3	-177.7	173.9	-179	0	114.8	S83	S83-K85 PolarHBondContact O-N 3.1Å; S83-K85 PolarHBondContact OG-N 3.2Å
86	S	55.3	Low	66.3	Low	21 Å²	21	83.7 Å²	83.7	15%	0.147	43%	0.426	C	S	.	.	S	Bend	trans	-99.2	-14.9	-174.3	60.8	0	0	0	0	115.2	Q79 V80 S83	Q79-S86 PolarHBondContact OE1-O 3.33Å; Q79-S86 VanDerWaalsContact OE1-O 3.09Å; V80-S86 PolarHBondContact O-OG 3.05Å; S83-S86 PolarHBondContact O-N 3.01Å; S83-S86 PolarHBondContact O-OG 3.36Å
87	C	66.5	Low	66	Low	45 Å²	45	84 Å²	84	30%	0.304	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121	178.4	-178.6	0	0	0	0	109.9	Y89	C87-Y89 PolarHBondContact SG-O 2.94Å; C87-Y89 VanDerWaalsContact SG-O 3.35Å
88	K	71.5	Confident	65.9	Low	85 Å²	85	84.8 Å²	84.8	37%	0.37	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-46	177.8	-155.7	173.3	-178.9	172.5	0	109.4	I73 E131	I73-K88 PolarHBondContact O-N 3.16Å; K88-E131 IonicContact NZ-OE2 2.71Å; K88-E131 PolarHBondContact NZ-OE2 3.38Å
89	Y	76.6	Confident	66.2	Low	23 Å²	23	80.3 Å²	80.3	9%	0.09	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	165.2	173.3	40	-97.6	0	0	0	111.3	I73 C87 L121 L130 E131	I73-Y89 HydrophobicContact CB-CD2 3.83Å; I73-Y89 HydrophobicContact CB-CE2 3.61Å; I73-Y89 WeakPolarHBondContact CB-O 3.36Å; I73-Y89 HydrophobicContact CD1-CD2 3.87Å; I73-Y89 HydrophobicContact CD1-CE2 3.54Å; I73-Y89 HydrophobicContact CG1-CD2 4.16Å; I73-Y89 HydrophobicContact CG1-CE2 4.04Å; I73-Y89 HydrophobicContact CG2-CD2 4.32Å; I73-Y89 HydrophobicContact CG2-CE2 3.6Å; I73-Y89 PolarHBondContact N-O 3.21Å; C87-Y89 PolarHBondContact SG-O 2.94Å; C87-Y89 VanDerWaalsContact SG-O 3.35Å; Y89-L121 HydrophobicContact CD2-CD2 4.44Å; Y89-L121 HydrophobicContact CE2-CD2 3.4Å; Y89-L121 WeakPolarHBondContact OH-CD1 3.34Å; Y89-L130 HydrophobicContact CD1-CD2 4Å; Y89-L130 HydrophobicContact CE1-CD2 3.61Å; Y89-E131 PolarHBondContact OH-O 2.9Å
90	S	78.8	Confident	67.1	Low	45 Å²	45	79.8 Å²	79.8	32%	0.315	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.8	176.2	-58.3	0	0	0	0	112.4	L71 R125	L71-S90 CarbonylContact O-C 3.47Å; L71-S90 VanDerWaalsContact O-CA 3.22Å; L71-S90 WeakPolarHBondContact O-CA 3.41Å; S90-R125 PolarHBondContact O-NH2 2.9Å
91	I	78.2	Confident	68.5	Low	6 Å²	6	75.4 Å²	75.4	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.1	174.8	58	167.2	0	0	0	110.1	L71 I73 P93 I116 L124	L71-I91 HydrophobicContact CB-CD1 4.16Å; L71-I91 HydrophobicContact CB-CG1 3.61Å; L71-I91 PolarHBondContact N-O 3.36Å; L71-I91 PolarHBondContact O-N 2.93Å; I73-I91 HydrophobicContact CD1-CB 4.42Å; I73-I91 HydrophobicContact CD1-CD1 3.95Å; I73-I91 HydrophobicContact CD1-CG1 3.89Å; I73-I91 HydrophobicContact CD1-CG2 3.72Å; I73-I91 HydrophobicContact CG1-CG1 4.43Å; I91-P93 VanDerWaalsContact O-CD 3.28Å; I91-P93 WeakPolarHBondContact O-CD 3.45Å; I91-I116 HydrophobicContact CD1-CD1 4.14Å; I91-L124 HydrophobicContact CD1-CD1 3.66Å; I91-L124 HydrophobicContact CG2-CB 4.46Å; I91-L124 HydrophobicContact CG2-CD1 4.42Å
92	E	78.6	Confident	70	Confident	98 Å²	98	73.5 Å²	73.5	46%	0.458	37%	0.368	S	S	.	.			trans	-113.7	83.2	175	-168	-176.2	163.8	0	0	108.1	K68	K68-E92 HydrophobicContact CB-CG 4.5Å; K68-E92 WeakPolarHBondContact CB-OE1 3.5Å; K68-E92 WeakPolarHBondContact CD-OE1 3.32Å; K68-E92 WeakPolarHBondContact CE-OE1 3.47Å; K68-E92 WeakPolarHBondContact CG-OE1 3.44Å; K68-E92 VanDerWaalsContact NZ-CD 3.31Å; K68-E92 IonicContact NZ-OE1 3.16Å; K68-E92 PolarHBondContact NZ-OE1 3.49Å; K68-E92 IonicContact NZ-OE2 2.68Å; K68-E92 PolarHBondContact NZ-OE2 2.9Å
93	P	72.6	Confident	71.6	Confident	13 Å²	13	66.2 Å²	66.2	8%	0.084	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-67.1	141.1	179.9	25.2	-31.2	0	0	0	111	I45 L71 I91 T97 I99	I45-P93 HydrophobicContact CD1-CB 4.37Å; I45-P93 HydrophobicContact CD1-CG 3.53Å; L71-P93 HydrophobicContact CD1-CG 3.63Å; I91-P93 VanDerWaalsContact O-CD 3.28Å; I91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-T97 HydrophobicContact CB-CG2 4.31Å; P93-I99 HydrophobicContact CG-CD1 4.47Å
94	K	69.3	Low	73.6	Confident	173 Å²	173	64.3 Å²	64.3	75%	0.752	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-66.5	153.6	175.8	-65.1	177.8	-178.2	173.1	0	109.8	G96 T97	K94-G96 PolarHBondContact O-N 2.87Å; K94-T97 PolarHBondContact N-OG1 2.81Å; K94-T97 VanDerWaalsContact O-CB 3.27Å; K94-T97 WeakPolarHBondContact O-CB 3.04Å; K94-T97 PolarHBondContact O-N 3.48Å; K94-T97 PolarHBondContact O-OG1 3.39Å
95	K	65.9	Low	75.4	Confident	221 Å²	221	58.7 Å²	58.7	96%	0.961	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	124	176.8	-170.6	178.2	-179.8	-178.7	0	109.8
96	G	65.3	Low	77.2	Confident	65 Å²	65	49.5 Å²	49.5	67%	0.67	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-2.6	-178.6	0	0	0	0	0	115.4	K94	K94-G96 PolarHBondContact O-N 2.87Å
97	T	75.9	Confident	78.6	Confident	39 Å²	39	48.6 Å²	48.6	24%	0.239	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-62.7	134.8	173.6	-63.3	0	0	0	0	110.9	P93 K94	P93-T97 HydrophobicContact CB-CG2 4.31Å; K94-T97 PolarHBondContact N-OG1 2.81Å; K94-T97 VanDerWaalsContact O-CB 3.27Å; K94-T97 WeakPolarHBondContact O-CB 3.04Å; K94-T97 PolarHBondContact O-N 3.48Å; K94-T97 PolarHBondContact O-OG1 3.39Å
98	C	79.8	Confident	79.3	Confident	21 Å²	21	46.8 Å²	46.8	14%	0.142	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.6	170	-158.9	0	0	0	0	108.8	C42 Y43 Q120 V150	C42-C98 WeakPolarHBondContact CB-SG 3.06Å; Y43-C98 CarbonylContact O-C 3.1Å; Y43-C98 WeakPolarHBondContact O-CA 3.38Å; C98-Q120 PolarHBondContact O-NE2 2.98Å; C98-V150 VanDerWaalsContact SG-CG2 3.6Å
99	I	83.3	Confident	79.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.8	177.9	-54.8	-176.3	0	0	0	107.6	C42 Y43 L71 P93 T101 I116 I135 L147	C42-I99 CarbonylContact C-O 3.55Å; C42-I99 WeakPolarHBondContact CA-O 3.47Å; Y43-I99 PolarHBondContact N-O 3.42Å; Y43-I99 PolarHBondContact O-N 3.42Å; L71-I99 HydrophobicContact CD1-CD1 3.4Å; P93-I99 HydrophobicContact CG-CD1 4.47Å; I99-T101 HydrophobicContact CG2-CG2 3.99Å; I99-I116 HydrophobicContact CG2-CD1 3.81Å; I99-I116 HydrophobicContact CG2-CG1 4.12Å; I99-I135 HydrophobicContact CG2-CD1 4.21Å; I99-L147 HydrophobicContact CD1-CD1 4.14Å; I99-L147 HydrophobicContact CD1-CD2 3.71Å; I99-L147 HydrophobicContact CG1-CD2 4.42Å
100	R	86.2	Confident	79.7	Confident	46 Å²	46	47.4 Å²	47.4	17%	0.174	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.1	175.5	-63.5	-178.1	-66.2	152.7	-5.9	110	E40 I116 N117 Q120 E123	E40-R100 HydrophobicContact CG-CB 4.14Å; E40-R100 HydrophobicContact CG-CG 4.4Å; E40-R100 WeakPolarHBondContact OE1-CD 3.3Å; E40-R100 WeakPolarHBondContact OE2-CD 3.48Å; E40-R100 IonicContact OE2-NH1 2.76Å; R100-I116 WeakPolarHBondContact O-CG1 3.25Å; R100-N117 PolarHBondContact O-N 3.36Å; R100-Q120 HydrophobicContact CB-CB 4.23Å; R100-Q120 HydrophobicContact CB-CG 4.23Å; R100-E123 IonicContact CZ-OE1 3.32Å; R100-E123 IonicContact CZ-OE2 3.94Å; R100-E123 IonicContact NH2-OE1 2.77Å; R100-E123 PolarHBondContact NH2-OE1 3.29Å; R100-E123 IonicContact NH2-OE2 2.73Å; R100-E123 PolarHBondContact NH2-OE2 3.38Å
101	T	87.1	Confident	79.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	165.4	-178.7	71.6	0	0	0	0	109.2	E40 V41 Y43 I99 V114 K115 I135	E40-T101 CarbonylContact C-O 3.37Å; E40-T101 VanDerWaalsContact CA-O 3.26Å; E40-T101 WeakPolarHBondContact CA-O 3.22Å; V41-T101 PolarHBondContact N-O 2.86Å; V41-T101 PolarHBondContact O-N 3.02Å; V41-T101 PolarHBondContact O-OG1 3.04Å; Y43-T101 HydrophobicContact CD2-CG2 3.9Å; Y43-T101 WeakPolarHBondContact CD2-OG1 3.46Å; Y43-T101 HydrophobicContact CE2-CG2 4.3Å; Y43-T101 WeakPolarHBondContact CE2-OG1 3.49Å; I99-T101 HydrophobicContact CG2-CG2 3.99Å; T101-V114 HydrophobicContact CG2-CG2 3.71Å; T101-K115 CarbonylContact C-O 3.54Å; T101-K115 WeakPolarHBondContact CA-O 3.48Å; T101-K115 WeakPolarHBondContact CB-O 3.23Å; T101-I135 HydrophobicContact CG2-CD1 3.91Å
102	T	85.4	Confident	79.7	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	164.9	163.9	71.3	0	0	0	0	109.1	E104 K115 N117	T102-E104 PolarHBondContact O-N 3.45Å; T102-E104 WeakPolarHBondContact OG1-CB 3.26Å; T102-E104 PolarHBondContact OG1-N 3.45Å; T102-E104 VanDerWaalsContact OG1-N 3.16Å; T102-K115 HydrophobicContact CG2-CB 4.35Å; T102-K115 PolarHBondContact N-O 3.11Å; T102-K115 WeakPolarHBondContact OG1-CB 3.3Å; T102-K115 PolarHBondContact OG1-O 3.1Å; T102-N117 VanDerWaalsContact CG2-OD1 3.23Å; T102-N117 WeakPolarHBondContact CG2-OD1 3.43Å; T102-N117 PolarHBondContact N-OD1 3.37Å
103	G	83.3	Confident	80.2	Confident	12 Å²	12	41.7 Å²	41.7	12%	0.124	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	3.8	166.8	0	0	0	0	0	114.5	V37 P38 E105	V37-G103 WeakPolarHBondContact CG1-O 3.33Å; P38-G103 WeakPolarHBondContact O-CA 3.47Å; P38-G103 PolarHBondContact O-N 2.71Å; G103-E105 PolarHBondContact O-N 3.18Å
104	E	88.4	Confident	80.9	Confident	18 Å²	18	41.1 Å²	41.1	8%	0.084	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	111.5	178.9	-166.4	177	-176.2	0	0	109.6	T102 V114 W134 A198 K201	T102-E104 PolarHBondContact O-N 3.45Å; T102-E104 WeakPolarHBondContact OG1-CB 3.26Å; T102-E104 PolarHBondContact OG1-N 3.45Å; T102-E104 VanDerWaalsContact OG1-N 3.16Å; E104-V114 WeakPolarHBondContact O-CA 3.41Å; E104-W134 HydrophobicContact CG-CH2 4Å; E104-A198 HydrophobicContact CB-CB 4.14Å; E104-A198 HydrophobicContact CG-CB 4.21Å; E104-K201 WeakPolarHBondContact OE1-CD 3.31Å; E104-K201 IonicContact OE1-NZ 3.42Å; E104-K201 PolarHBondContact OE1-NZ 2.94Å; E104-K201 IonicContact OE2-NZ 3.28Å; E104-K201 PolarHBondContact OE2-NZ 3.13Å
105	E	86.6	Confident	81.8	Confident	96 Å²	96	34.7 Å²	34.7	45%	0.449	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.1	178.8	-69.9	-180	164.1	0	0	110.9	G103 L112 W113 V114	G103-E105 PolarHBondContact O-N 3.18Å; E105-L112 HydrophobicContact CB-CD1 4.17Å; E105-W113 WeakPolarHBondContact CA-O 3.39Å; E105-V114 HydrophobicContact CG-CG1 4.07Å
106	Y	86.5	Confident	82.7	Confident	10 Å²	10	24.2 Å²	24.2	4%	0.039	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	125.3	175.8	-174	-92.5	0	0	0	110.1	P77 H78 N108 W113 A379 D399 Y402	P77-Y106 HydrophobicContact CB-CD1 3.52Å; P77-Y106 HydrophobicContact CB-CE1 3.93Å; P77-Y106 HydrophobicContact CB-CG 4.36Å; P77-Y106 HydrophobicContact CG-CD1 3.42Å; P77-Y106 VanDerWaalsContact CG-CD1 3.42Å; P77-Y106 HydrophobicContact CG-CE1 3.71Å; P77-Y106 HydrophobicContact CG-CG 3.93Å; H78-Y106 AromaticContact NE2-CZ 3.81Å; H78-Y106 PolarHBondContact NE2-OH 3.43Å; H78-Y106 VanDerWaalsContact NE2-OH 3.1Å; Y106-N108 HydrophobicContact CE1-CB 4.06Å; Y106-W113 PolarHBondContact N-O 3.31Å; Y106-W113 WeakPolarHBondContact O-CA 3.36Å; Y106-W113 VanDerWaalsContact O-CB 3.3Å; Y106-W113 WeakPolarHBondContact O-CB 3.45Å; Y106-W113 PolarHBondContact O-N 3.21Å; Y106-A379 HydrophobicContact CE1-CB 4.07Å; Y106-A379 HydrophobicContact CE2-CB 3.9Å; Y106-A379 VanDerWaalsContact CZ-CB 3.47Å; Y106-A379 WeakPolarHBondContact OH-CB 3.41Å; Y106-D399 VanDerWaalsContact CE2-OD1 3.3Å; Y106-D399 WeakPolarHBondContact CE2-OD1 3.36Å; Y106-D399 PolarHBondContact OH-OD1 2.83Å; Y106-Y402 HydrophobicContact CD2-CD1 4.01Å; Y106-Y402 AromaticContact CD2-CE1 3.76Å; Y106-Y402 HydrophobicContact CD2-CE1 3.76Å; Y106-Y402 AromaticContact CE2-CD1 3.97Å; Y106-Y402 HydrophobicContact CE2-CD1 3.97Å; Y106-Y402 HydrophobicContact CE2-CE1 4.16Å; Y106-Y402 HydrophobicContact CE2-CG 4.44Å
107	C	84.7	Confident	83.5	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.5	-178.5	-173.3	0	0	0	0	111.2	G111 L112 L375 L377 A379 Y402	C107-G111 WeakPolarHBondContact CA-O 3.46Å; C107-L112 HydrophobicContact CB-CD1 4.22Å; C107-L375 VanDerWaalsContact SG-CB 3.54Å; C107-L377 WeakPolarHBondContact CB-O 3.24Å; C107-A379 WeakPolarHBondContact O-CB 3.18Å; C107-A379 PolarHBondContact O-N 3.01Å; C107-Y402 PolarHBondContact N-OH 2.69Å
108	N	82.2	Confident	83.6	Confident	7 Å²	7	23.7 Å²	23.7	4%	0.037	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	-175	175.4	68.5	11.1	0	0	0	110.9	P77 Y106 Q110 G111 W113 H140 N378	P77-N108 PolarHBondContact O-ND2 2.98Å; Y106-N108 HydrophobicContact CE1-CB 4.06Å; N108-Q110 PolarHBondContact O-N 3.49Å; N108-Q110 VanDerWaalsContact OD1-CB 3.29Å; N108-Q110 WeakPolarHBondContact OD1-CB 3.5Å; N108-Q110 PolarHBondContact OD1-N 3.18Å; N108-G111 PolarHBondContact N-O 2.99Å; N108-G111 VanDerWaalsContact N-O 3.08Å; N108-G111 WeakPolarHBondContact O-CA 3.34Å; N108-G111 PolarHBondContact O-N 3.25Å; N108-G111 PolarHBondContact OD1-N 3.45Å; N108-W113 PolarHBondContact OD1-NE1 2.9Å; N108-H140 PolarHBondContact O-CD2 3.27Å; N108-H140 VanDerWaalsContact O-CD2 3.3Å; N108-H140 PolarHBondContact O-NE2 2.96Å; N108-N378 VanDerWaalsContact CA-OD1 3.25Å; N108-N378 WeakPolarHBondContact CA-OD1 3.38Å
109	S	78.2	Confident	83.6	Confident	65 Å²	65	28.2 Å²	28.2	46%	0.455	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-19.1	178.7	57.1	0	0	0	0	115.4	H140 N378 D380	S109-H140 PolarHBondContact O-CD2 3.49Å; S109-N378 PolarHBondContact N-ND2 2.76Å; S109-N378 PolarHBondContact N-OD1 2.81Å; S109-D380 WeakPolarHBondContact CA-OD2 3.3Å; S109-D380 WeakPolarHBondContact CB-OD2 3.38Å; S109-D380 PolarHBondContact N-OD2 3.41Å; S109-D380 PolarHBondContact OG-OD2 2.94Å
110	Q	77.9	Confident	83.4	Confident	57 Å²	57	28.7 Å²	28.7	27%	0.266	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-27.2	174.6	-56	-60.6	-55.4	0	0	112.3	P81 N108 W113 K139	P81-Q110 HydrophobicContact CG-CG 4.36Å; N108-Q110 PolarHBondContact O-N 3.49Å; N108-Q110 VanDerWaalsContact OD1-CB 3.29Å; N108-Q110 WeakPolarHBondContact OD1-CB 3.5Å; N108-Q110 PolarHBondContact OD1-N 3.18Å; Q110-W113 HydrophobicContact CB-CZ2 3.86Å; Q110-W113 HydrophobicContact CG-CZ2 4.29Å; Q110-K139 WeakPolarHBondContact O-CA 3.2Å
111	G	76.1	Confident	83	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.1	-153.3	177.9	0	0	0	0	0	113.1	C107 N108 W113 C138	C107-G111 WeakPolarHBondContact CA-O 3.46Å; N108-G111 PolarHBondContact N-O 2.99Å; N108-G111 VanDerWaalsContact N-O 3.08Å; N108-G111 WeakPolarHBondContact O-CA 3.34Å; N108-G111 PolarHBondContact O-N 3.25Å; N108-G111 PolarHBondContact OD1-N 3.45Å; G111-W113 PolarHBondContact O-NE1 2.92Å; G111-C138 CarbonylContact C-O 3.53Å; G111-C138 WeakPolarHBondContact CA-O 3.18Å
112	L	81.5	Confident	82.6	Confident	29 Å²	29	30.3 Å²	30.3	15%	0.152	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.6	-175	-178.8	65.6	0	0	0	111.2	E105 C107 V137 C138 L375	E105-L112 HydrophobicContact CB-CD1 4.17Å; C107-L112 HydrophobicContact CB-CD1 4.22Å; L112-V137 PolarHBondContact O-N 3.21Å; L112-C138 HydrophobicContact CB-CB 4.26Å; L112-C138 PolarHBondContact N-O 3.31Å; L112-C138 PolarHBondContact O-N 3.4Å; L112-L375 HydrophobicContact CB-CD1 4.32Å; L112-L375 HydrophobicContact CB-CD2 4.45Å
113	W	88	Confident	82.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.1	179.1	-56.4	81	0	0	0	110.9	F74 P77 P81 E105 Y106 N108 Q110 G111 W134 I135 L136	F74-W113 HydrophobicContact CB-CZ3 4.26Å; F74-W113 HydrophobicContact CD2-CH2 4.08Å; F74-W113 AromaticContact CD2-CZ3 3.5Å; F74-W113 HydrophobicContact CD2-CZ3 3.5Å; F74-W113 HydrophobicContact CE2-CH2 4.18Å; F74-W113 AromaticContact CE2-CZ3 3.94Å; F74-W113 HydrophobicContact CE2-CZ3 3.94Å; F74-W113 HydrophobicContact CG-CH2 4.34Å; F74-W113 AromaticContact CG-CZ3 3.94Å; F74-W113 HydrophobicContact CG-CZ3 3.94Å; P77-W113 HydrophobicContact CB-CB 4.08Å; P77-W113 HydrophobicContact CB-CD2 3.77Å; P77-W113 HydrophobicContact CB-CE3 4.27Å; P77-W113 HydrophobicContact CB-CG 3.67Å; P81-W113 HydrophobicContact CG-CH2 4.4Å; E105-W113 WeakPolarHBondContact CA-O 3.39Å; Y106-W113 PolarHBondContact N-O 3.31Å; Y106-W113 WeakPolarHBondContact O-CA 3.36Å; Y106-W113 VanDerWaalsContact O-CB 3.3Å; Y106-W113 WeakPolarHBondContact O-CB 3.45Å; Y106-W113 PolarHBondContact O-N 3.21Å; N108-W113 PolarHBondContact OD1-NE1 2.9Å; Q110-W113 HydrophobicContact CB-CZ2 3.86Å; Q110-W113 HydrophobicContact CG-CZ2 4.29Å; G111-W113 PolarHBondContact O-NE1 2.92Å; W113-W134 HydrophobicContact CB-CE3 3.67Å; W113-W134 HydrophobicContact CB-CZ3 4.12Å; W113-W134 HydrophobicContact CE3-CB 4.06Å; W113-I135 VanDerWaalsContact CA-O 3.31Å; W113-I135 WeakPolarHBondContact CA-O 3.39Å; W113-L136 HydrophobicContact CD2-CB 4.21Å; W113-L136 HydrophobicContact CD2-CD1 3.92Å; W113-L136 HydrophobicContact CE3-CB 3.91Å; W113-L136 HydrophobicContact CE3-CD1 4.48Å; W113-L136 HydrophobicContact CG-CD1 4.25Å; W113-L136 HydrophobicContact CH2-CB 4.06Å; W113-L136 HydrophobicContact CH2-CD2 4.47Å; W113-L136 HydrophobicContact CZ2-CB 4.33Å; W113-L136 HydrophobicContact CZ2-CD1 3.99Å; W113-L136 HydrophobicContact CZ2-CD2 4.33Å; W113-L136 HydrophobicContact CZ2-CG 4.46Å; W113-L136 HydrophobicContact CZ3-CB 3.84Å
114	V	87.6	Confident	81.9	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.4	169.7	-53.7	0	0	0	0	110.2	Y43 T101 E104 E105 W134 I135 V137	Y43-V114 HydrophobicContact CE2-CG1 4.43Å; Y43-V114 HydrophobicContact CE2-CG2 4.33Å; T101-V114 HydrophobicContact CG2-CG2 3.71Å; E104-V114 WeakPolarHBondContact O-CA 3.41Å; E105-V114 HydrophobicContact CG-CG1 4.07Å; V114-W134 WeakPolarHBondContact O-CA 3.18Å; V114-I135 HydrophobicContact CG2-CD1 3.8Å; V114-I135 HydrophobicContact CG2-CG1 3.48Å; V114-I135 VanDerWaalsContact CG2-CG1 3.48Å; V114-I135 PolarHBondContact N-O 3.45Å; V114-I135 WeakPolarHBondContact O-CG1 3.45Å; V114-I135 PolarHBondContact O-N 3.1Å; V114-V137 HydrophobicContact CB-CG2 4.03Å; V114-V137 HydrophobicContact CG1-CG2 3.71Å; V114-V137 HydrophobicContact CG2-CG2 3.3Å
115	K	87.4	Confident	81.2	Confident	39 Å²	39	41.1 Å²	41.1	17%	0.17	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.6	-178.8	-155.5	-171.8	-164.6	-168.8	0	111.2	T101 T102 E132 G133 W134	T101-K115 CarbonylContact C-O 3.54Å; T101-K115 WeakPolarHBondContact CA-O 3.48Å; T101-K115 WeakPolarHBondContact CB-O 3.23Å; T102-K115 HydrophobicContact CG2-CB 4.35Å; T102-K115 PolarHBondContact N-O 3.11Å; T102-K115 WeakPolarHBondContact OG1-CB 3.3Å; T102-K115 PolarHBondContact OG1-O 3.1Å; K115-E132 HydrophobicContact CD-CB 4.11Å; K115-E132 WeakPolarHBondContact CE-OE2 3.45Å; K115-E132 HydrophobicContact CG-CB 4.16Å; K115-E132 IonicContact NZ-OE2 3.94Å; K115-E132 PolarHBondContact NZ-OE2 3Å; K115-G133 CarbonylContact C-O 3.59Å; K115-G133 WeakPolarHBondContact CA-O 3.47Å; K115-W134 HydrophobicContact CB-CD2 4.41Å; K115-W134 HydrophobicContact CB-CE3 4.39Å; K115-W134 HydrophobicContact CG-CD2 4.49Å
116	I	86.6	Confident	80.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.8	178.2	-163.3	173.2	0	0	0	111.3	I73 I91 I99 R100 Q120 L121 G133	I73-I116 HydrophobicContact CD1-CD1 4.31Å; I73-I116 HydrophobicContact CD1-CG2 4.48Å; I73-I116 HydrophobicContact CG2-CG2 4.4Å; I91-I116 HydrophobicContact CD1-CD1 4.14Å; I99-I116 HydrophobicContact CG2-CD1 3.81Å; I99-I116 HydrophobicContact CG2-CG1 4.12Å; R100-I116 WeakPolarHBondContact O-CG1 3.25Å; I116-Q120 HydrophobicContact CD1-CG 4.17Å; I116-Q120 HydrophobicContact CG1-CB 4.33Å; I116-Q120 HydrophobicContact CG1-CG 4.24Å; I116-L121 HydrophobicContact CD1-CD2 4.34Å; I116-L121 HydrophobicContact CD1-CG 4.3Å; I116-L121 HydrophobicContact CG1-CG 4.45Å; I116-L121 HydrophobicContact CG2-CD1 3.45Å; I116-L121 VanDerWaalsContact CG2-CD1 3.45Å; I116-L121 HydrophobicContact CG2-CD2 3.98Å; I116-L121 HydrophobicContact CG2-CG 3.61Å; I116-G133 WeakPolarHBondContact CG2-O 3.41Å; I116-G133 PolarHBondContact N-O 3.24Å
117	N	80.5	Confident	79.4	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.091	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-69.6	143.7	-179.9	-72.7	-4	0	0	0	111.6	E40 R100 T102 E119 Q120 L121	E40-N117 PolarHBondContact OE2-ND2 3.37Å; R100-N117 PolarHBondContact O-N 3.36Å; T102-N117 VanDerWaalsContact CG2-OD1 3.23Å; T102-N117 WeakPolarHBondContact CG2-OD1 3.43Å; T102-N117 PolarHBondContact N-OD1 3.37Å; N117-E119 VanDerWaalsContact C-N 3.33Å; N117-E119 PolarHBondContact O-N 3Å; N117-Q120 HydrophobicContact CB-CB 4.22Å; N117-Q120 PolarHBondContact O-N 3.5Å; N117-L121 PolarHBondContact O-N 3.41Å; N117-L121 VanDerWaalsContact O-N 3.1Å
118	K	79.5	Confident	78.6	Confident	76 Å²	76	50.2 Å²	50.2	33%	0.33	27%	0.273	S	S	.	.	H	α-helix	trans	-55.6	-46.4	174.8	-175.6	172.5	-163.5	-163.6	0	112.1	Q120 L121 E122 D129 L130 E132	K118-Q120 VanDerWaalsContact C-N 3.32Å; K118-Q120 PolarHBondContact O-N 3.27Å; K118-L121 WeakPolarHBondContact O-CB 3.12Å; K118-L121 PolarHBondContact O-N 2.99Å; K118-L121 VanDerWaalsContact O-N 3.11Å; K118-E122 WeakPolarHBondContact CE-OE1 3.45Å; K118-E122 HydrophobicContact CG-CG 4.46Å; K118-E122 IonicContact NZ-OE1 3.53Å; K118-E122 WeakPolarHBondContact O-CG 3.39Å; K118-E122 PolarHBondContact O-N 3.44Å; K118-D129 IonicContact NZ-OD1 3.31Å; K118-D129 PolarHBondContact NZ-OD1 3.12Å; K118-L130 WeakPolarHBondContact CE-O 3.46Å; K118-L130 WeakPolarHBondContact CG-O 3.28Å; K118-E132 HydrophobicContact CB-CG 4.18Å
119	E	78.8	Confident	77.7	Confident	117 Å²	117	56.5 Å²	56.5	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-59	-42.6	179.6	-62.6	175.2	-175.5	0	0	112	N117 L121 E122 E123	N117-E119 VanDerWaalsContact C-N 3.33Å; N117-E119 PolarHBondContact O-N 3Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-L121 PolarHBondContact O-N 3.28Å; E119-E122 PolarHBondContact O-N 3.41Å; E119-E123 WeakPolarHBondContact O-CG 3.39Å; E119-E123 PolarHBondContact O-N 3.3Å
120	Q	79.3	Confident	77.2	Confident	9 Å²	9	54 Å²	54	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-36.3	177.8	-174.2	68.9	19.6	0	0	112	C98 R100 I116 N117 K118 L124	C98-Q120 PolarHBondContact O-NE2 2.98Å; R100-Q120 HydrophobicContact CB-CB 4.23Å; R100-Q120 HydrophobicContact CB-CG 4.23Å; I116-Q120 HydrophobicContact CD1-CG 4.17Å; I116-Q120 HydrophobicContact CG1-CB 4.33Å; I116-Q120 HydrophobicContact CG1-CG 4.24Å; N117-Q120 HydrophobicContact CB-CB 4.22Å; N117-Q120 PolarHBondContact O-N 3.5Å; K118-Q120 VanDerWaalsContact C-N 3.32Å; K118-Q120 PolarHBondContact O-N 3.27Å; Q120-L124 HydrophobicContact CG-CD1 4.15Å; Q120-L124 WeakPolarHBondContact O-CB 3.47Å; Q120-L124 VanDerWaalsContact O-CG 3.28Å; Q120-L124 WeakPolarHBondContact O-CG 3.42Å; Q120-L124 PolarHBondContact O-N 3.26Å; Q120-L124 VanDerWaalsContact O-N 3.1Å
121	L	77.6	Confident	76.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-45.6	175.5	-82.8	165.1	0	0	0	112.1	I73 Y89 I116 N117 K118 E119 E123 L124 R125 L130 E131	I73-L121 HydrophobicContact CD1-CD2 3.58Å; Y89-L121 HydrophobicContact CD2-CD2 4.44Å; Y89-L121 HydrophobicContact CE2-CD2 3.4Å; Y89-L121 WeakPolarHBondContact OH-CD1 3.34Å; I116-L121 HydrophobicContact CD1-CD2 4.34Å; I116-L121 HydrophobicContact CD1-CG 4.3Å; I116-L121 HydrophobicContact CG1-CG 4.45Å; I116-L121 HydrophobicContact CG2-CD1 3.45Å; I116-L121 VanDerWaalsContact CG2-CD1 3.45Å; I116-L121 HydrophobicContact CG2-CD2 3.98Å; I116-L121 HydrophobicContact CG2-CG 3.61Å; N117-L121 PolarHBondContact O-N 3.41Å; N117-L121 VanDerWaalsContact O-N 3.1Å; K118-L121 WeakPolarHBondContact O-CB 3.12Å; K118-L121 PolarHBondContact O-N 2.99Å; K118-L121 VanDerWaalsContact O-N 3.11Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-L121 PolarHBondContact O-N 3.28Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.06Å; L121-L124 PolarHBondContact O-N 2.62Å; L121-R125 PolarHBondContact O-N 2.98Å; L121-L130 HydrophobicContact CB-CB 4.23Å; L121-L130 HydrophobicContact CB-CD1 4.35Å; L121-E131 VanDerWaalsContact CD1-O 3.31Å; L121-E131 WeakPolarHBondContact CD1-O 3.39Å
122	E	79.7	Confident	76.9	Confident	79 Å²	79	60.9 Å²	60.9	37%	0.369	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-39.1	177.2	-70.5	176.4	178	0	0	111.5	K118 E119 R125 P126	K118-E122 WeakPolarHBondContact CE-OE1 3.45Å; K118-E122 HydrophobicContact CG-CG 4.46Å; K118-E122 IonicContact NZ-OE1 3.53Å; K118-E122 WeakPolarHBondContact O-CG 3.39Å; K118-E122 PolarHBondContact O-N 3.44Å; E119-E122 PolarHBondContact O-N 3.41Å; E122-R125 CarbonylContact O-C 3.59Å; E122-R125 PolarHBondContact O-N 3.39Å; E122-P126 WeakPolarHBondContact O-CA 3.34Å; E122-P126 VanDerWaalsContact O-N 3.11Å
123	E	78.7	Confident	77	Confident	123 Å²	123	59.5 Å²	59.5	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-64.4	-41	174.5	-77.4	176.2	-172	0	0	112.9	R100 E119 L121 R125	R100-E123 IonicContact CZ-OE1 3.32Å; R100-E123 IonicContact CZ-OE2 3.94Å; R100-E123 IonicContact NH2-OE1 2.77Å; R100-E123 PolarHBondContact NH2-OE1 3.29Å; R100-E123 IonicContact NH2-OE2 2.73Å; R100-E123 PolarHBondContact NH2-OE2 3.38Å; E119-E123 WeakPolarHBondContact O-CG 3.39Å; E119-E123 PolarHBondContact O-N 3.3Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 3.06Å; E123-R125 VanDerWaalsContact C-N 3.34Å
124	L	74.1	Confident	77	Confident	55 Å²	55	60.6 Å²	60.6	29%	0.288	32%	0.317	S	S	.	.	H	α-helix	trans	-76.3	-23.4	179	-70.7	170.3	0	0	0	112.5	I91 Q120 L121	I91-L124 HydrophobicContact CD1-CD1 3.66Å; I91-L124 HydrophobicContact CG2-CB 4.46Å; I91-L124 HydrophobicContact CG2-CD1 4.42Å; Q120-L124 HydrophobicContact CG-CD1 4.15Å; Q120-L124 WeakPolarHBondContact O-CB 3.47Å; Q120-L124 VanDerWaalsContact O-CG 3.28Å; Q120-L124 WeakPolarHBondContact O-CG 3.42Å; Q120-L124 PolarHBondContact O-N 3.26Å; Q120-L124 VanDerWaalsContact O-N 3.1Å; L121-L124 PolarHBondContact O-N 2.62Å
125	R	73.7	Confident	77	Confident	82 Å²	82	60.6 Å²	60.6	31%	0.309	32%	0.317	S	S	.	.	S	Bend	trans	-141.8	82.2	177.9	-74.7	-169.9	178.4	-131.6	3.5	111.8	S90 L121 E122 E123 L130	S90-R125 PolarHBondContact O-NH2 2.9Å; L121-R125 PolarHBondContact O-N 2.98Å; E122-R125 CarbonylContact O-C 3.59Å; E122-R125 PolarHBondContact O-N 3.39Å; E123-R125 VanDerWaalsContact C-N 3.34Å; R125-L130 HydrophobicContact CB-CD1 3.65Å; R125-L130 HydrophobicContact CG-CD1 4.45Å
126	P	72	Confident	76.8	Confident	112 Å²	112	60.4 Å²	60.4	73%	0.727	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	137.9	-179.5	-20.8	32.8	0	0	0	112.3	E122	E122-P126 WeakPolarHBondContact O-CA 3.34Å; E122-P126 VanDerWaalsContact O-N 3.11Å
127	G	63.2	Low	76.2	Confident	88 Å²	88	60.7 Å²	60.7	91%	0.907	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	12.1	171.1	0	0	0	0	0	116.4
128	Q	67.4	Low	75.8	Confident	98 Å²	98	60.8 Å²	60.8	46%	0.458	32%	0.321	S	S	.	.	S	Bend	trans	-116.4	133.9	168.8	-66	-174.5	-23.2	0	0	108.8	L130	Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 HydrophobicContact CB-CD1 4.08Å; Q128-L130 HydrophobicContact CB-CD2 3.91Å; Q128-L130 HydrophobicContact CB-CG 3.69Å; Q128-L130 PolarHBondContact O-N 3.22Å
129	D	64.1	Low	75.2	Confident	139 Å²	139	62.7 Å²	62.7	74%	0.743	33%	0.33	S	S	*	.			trans	-75.9	90.1	170.9	-169.2	17.5	0	0	0	108.1	K118	K118-D129 IonicContact NZ-OD1 3.31Å; K118-D129 PolarHBondContact NZ-OD1 3.12Å
130	L	67.7	Low	74.2	Confident	13 Å²	13	58.5 Å²	58.5	7%	0.068	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-99.4	119.6	-174.5	-64.9	171.9	0	0	0	109.1	Y89 K118 L121 R125 Q128	Y89-L130 HydrophobicContact CD1-CD2 4Å; Y89-L130 HydrophobicContact CE1-CD2 3.61Å; K118-L130 WeakPolarHBondContact CE-O 3.46Å; K118-L130 WeakPolarHBondContact CG-O 3.28Å; L121-L130 HydrophobicContact CB-CB 4.23Å; L121-L130 HydrophobicContact CB-CD1 4.35Å; R125-L130 HydrophobicContact CB-CD1 3.65Å; R125-L130 HydrophobicContact CG-CD1 4.45Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 HydrophobicContact CB-CD1 4.08Å; Q128-L130 HydrophobicContact CB-CD2 3.91Å; Q128-L130 HydrophobicContact CB-CG 3.69Å; Q128-L130 PolarHBondContact O-N 3.22Å
131	E	70.9	Confident	72.9	Confident	127 Å²	127	62.2 Å²	62.2	59%	0.593	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-75.6	158.3	167.2	-65.1	178.7	154.3	0	0	111.1	K88 Y89 L121	K88-E131 IonicContact NZ-OE2 2.71Å; K88-E131 PolarHBondContact NZ-OE2 3.38Å; Y89-E131 PolarHBondContact OH-O 2.9Å; L121-E131 VanDerWaalsContact CD1-O 3.31Å; L121-E131 WeakPolarHBondContact CD1-O 3.39Å
132	E	77.3	Confident	71.4	Confident	74 Å²	74	68.3 Å²	68.3	35%	0.346	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-49.6	151	172	-61.4	177.3	161.8	0	0	112.1	K115 K118	K115-E132 HydrophobicContact CD-CB 4.11Å; K115-E132 WeakPolarHBondContact CE-OE2 3.45Å; K115-E132 HydrophobicContact CG-CB 4.16Å; K115-E132 IonicContact NZ-OE2 3.94Å; K115-E132 PolarHBondContact NZ-OE2 3Å; K118-E132 HydrophobicContact CB-CG 4.18Å
133	G	83.9	Confident	70.1	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.01	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	161.9	-178.1	0	0	0	0	0	112.8	F74 K115 I116	F74-G133 CarbonylContact O-C 3.54Å; F74-G133 WeakPolarHBondContact O-CA 3.32Å; K115-G133 CarbonylContact C-O 3.59Å; K115-G133 WeakPolarHBondContact CA-O 3.47Å; I116-G133 WeakPolarHBondContact CG2-O 3.41Å; I116-G133 PolarHBondContact N-O 3.24Å
134	W	87.2	Confident	68.8	Low	23 Å²	23	62.6 Å²	62.6	9%	0.087	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137	-178.7	-68.6	88.2	0	0	0	111.2	F74 P77 E104 W113 V114 K115	F74-W134 HydrophobicContact CB-CB 4.46Å; F74-W134 PolarHBondContact N-O 3.17Å; F74-W134 PolarHBondContact O-N 3.03Å; P77-W134 HydrophobicContact CB-CD2 4.41Å; P77-W134 HydrophobicContact CG-CD2 4.14Å; P77-W134 HydrophobicContact CG-CE3 4.47Å; P77-W134 HydrophobicContact CG-CG 4.47Å; P77-W134 HydrophobicContact CG-CZ2 4.47Å; E104-W134 HydrophobicContact CG-CH2 4Å; W113-W134 HydrophobicContact CB-CE3 3.67Å; W113-W134 HydrophobicContact CB-CZ3 4.12Å; W113-W134 HydrophobicContact CE3-CB 4.06Å; V114-W134 WeakPolarHBondContact O-CA 3.18Å; K115-W134 HydrophobicContact CB-CD2 4.41Å; K115-W134 HydrophobicContact CB-CE3 4.39Å; K115-W134 HydrophobicContact CG-CD2 4.49Å
135	I	87	Confident	68	Low	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.9	173	64	178.2	0	0	0	109.3	L71 I73 I99 T101 W113 V114 V137 L147	L71-I135 HydrophobicContact CD2-CB 4.49Å; I73-I135 HydrophobicContact CD1-CG2 4.47Å; I73-I135 HydrophobicContact CG1-CG2 3.89Å; I99-I135 HydrophobicContact CG2-CD1 4.21Å; T101-I135 HydrophobicContact CG2-CD1 3.91Å; W113-I135 VanDerWaalsContact CA-O 3.31Å; W113-I135 WeakPolarHBondContact CA-O 3.39Å; V114-I135 HydrophobicContact CG2-CD1 3.8Å; V114-I135 HydrophobicContact CG2-CG1 3.48Å; V114-I135 VanDerWaalsContact CG2-CG1 3.48Å; V114-I135 PolarHBondContact N-O 3.45Å; V114-I135 WeakPolarHBondContact O-CG1 3.45Å; V114-I135 PolarHBondContact O-N 3.1Å; I135-V137 HydrophobicContact CG1-CG2 4.14Å; I135-V137 PolarHBondContact O-N 2.99Å; I135-L147 HydrophobicContact CD1-CD1 3.76Å
136	L	83.4	Confident	67.8	Low	34 Å²	34	61.5 Å²	61.5	18%	0.178	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108.5	174.4	-176.8	61.9	0	0	0	108.6	W113 C138 K139	W113-L136 HydrophobicContact CD2-CB 4.21Å; W113-L136 HydrophobicContact CD2-CD1 3.92Å; W113-L136 HydrophobicContact CE3-CB 3.91Å; W113-L136 HydrophobicContact CE3-CD1 4.48Å; W113-L136 HydrophobicContact CG-CD1 4.25Å; W113-L136 HydrophobicContact CH2-CB 4.06Å; W113-L136 HydrophobicContact CH2-CD2 4.47Å; W113-L136 HydrophobicContact CZ2-CB 4.33Å; W113-L136 HydrophobicContact CZ2-CD1 3.99Å; W113-L136 HydrophobicContact CZ2-CD2 4.33Å; W113-L136 HydrophobicContact CZ2-CG 4.46Å; W113-L136 HydrophobicContact CZ3-CB 3.84Å; L136-C138 WeakPolarHBondContact CD1-O 3.4Å; L136-K139 HydrophobicContact CD2-CD 4.4Å; L136-K139 HydrophobicContact CD2-CG 3.75Å; L136-K139 HydrophobicContact CG-CG 4.26Å
137	V	74.8	Confident	67.6	Low	7 Å²	7	56.8 Å²	56.8	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-38.4	-173.2	175.6	0	0	0	0	111.3	Y43 L112 V114 I135 L147	Y43-V137 HydrophobicContact CD1-CG1 3.93Å; Y43-V137 HydrophobicContact CE1-CG1 3.8Å; L112-V137 PolarHBondContact O-N 3.21Å; V114-V137 HydrophobicContact CB-CG2 4.03Å; V114-V137 HydrophobicContact CG1-CG2 3.71Å; V114-V137 HydrophobicContact CG2-CG2 3.3Å; I135-V137 HydrophobicContact CG1-CG2 4.14Å; I135-V137 PolarHBondContact O-N 2.99Å; V137-L147 HydrophobicContact CB-CB 4.26Å; V137-L147 HydrophobicContact CG1-CB 3.58Å; V137-L147 WeakPolarHBondContact CG1-O 3.41Å; V137-L147 HydrophobicContact CG2-CB 4.46Å; V137-L147 HydrophobicContact CG2-CD1 4.35Å; V137-L147 PolarHBondContact O-N 3.2Å
138	C	71.3	Confident	67.8	Low	18 Å²	18	55 Å²	55	12%	0.122	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.4	-179	-170.5	0	0	0	0	110.1	G111 L112 L136 R373 L375	G111-C138 CarbonylContact C-O 3.53Å; G111-C138 WeakPolarHBondContact CA-O 3.18Å; L112-C138 HydrophobicContact CB-CB 4.26Å; L112-C138 PolarHBondContact N-O 3.31Å; L112-C138 PolarHBondContact O-N 3.4Å; L136-C138 WeakPolarHBondContact CD1-O 3.4Å; C138-R373 PolarHBondContact SG-NH1 3.45Å; C138-L375 HydrophobicContact CB-CD2 4.08Å
139	K	68.1	Low	67.8	Low	116 Å²	116	54 Å²	54	50%	0.504	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	157.1	172.4	-67.2	-179.7	179.3	-178	0	111	Q110 L136	Q110-K139 WeakPolarHBondContact O-CA 3.2Å; L136-K139 HydrophobicContact CD2-CD 4.4Å; L136-K139 HydrophobicContact CD2-CG 3.75Å; L136-K139 HydrophobicContact CG-CG 4.26Å
140	H	57.1	Low	68.2	Low	29 Å²	29	49.8 Å²	49.8	13%	0.134	28%	0.276	C	S	.	.	S	Bend	trans	-69.8	-37.8	171.1	-80.3	-73.3	0	0	0	112.6	N108 S109 R373	N108-H140 PolarHBondContact O-CD2 3.27Å; N108-H140 VanDerWaalsContact O-CD2 3.3Å; N108-H140 PolarHBondContact O-NE2 2.96Å; S109-H140 PolarHBondContact O-CD2 3.49Å; H140-R373 PolarHBondContact ND1-O 2.87Å
141	T	51.9	Low	68.1	Low	88 Å²	88	52.2 Å²	52.2	54%	0.54	29%	0.287	S	S	.	.	S	Bend	trans	-71.5	147.2	-179.6	58.3	0	0	0	0	113.1
142	E	46.8	Very low	67.9	Low	128 Å²	128	47.2 Å²	47.2	60%	0.598	27%	0.266	S	S	*	.	S	Bend	trans	-59.2	132.5	177.1	-67.3	-170.9	172.1	0	0	113.8	G285	E142-G285 WeakPolarHBondContact OE1-CA 3.33Å
143	G	50.7	Low	67.2	Low	45 Å²	45	47.4 Å²	47.4	46%	0.464	27%	0.274	S	S	.	.			trans	93.8	137.1	166.5	0	0	0	0	0	116.6
144	G	53.1	Low	66.1	Low	37 Å²	37	53.7 Å²	53.7	38%	0.381	30%	0.303	S	S	.	.	S	Bend	trans	143.3	164.7	169.9	0	0	0	0	0	114.1	D48 R146	D48-G144 PolarHBondContact OD2-N 3.37Å; G144-R146 PolarHBondContact O-N 3.02Å
145	D	57.2	Low	64.8	Low	69 Å²	69	54.4 Å²	54.4	37%	0.369	31%	0.31	S	S	.	.			trans	-59	124.2	170.8	-77.1	-8	0	0	0	109.1	I45 K47 T69	I45-D145 HydrophobicContact CG2-CB 4.17Å; K47-D145 WeakPolarHBondContact CA-OD1 3.35Å; K47-D145 WeakPolarHBondContact CG-OD1 3.49Å; T69-D145 WeakPolarHBondContact CB-OD2 3.23Å; T69-D145 HydrophobicContact CG2-CB 4.16Å; T69-D145 WeakPolarHBondContact CG2-OD2 3.48Å; T69-D145 PolarHBondContact OG1-OD2 3.22Å
146	R	68.1	Low	63.5	Low	45 Å²	45	57.5 Å²	57.5	17%	0.17	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.9	-177.8	67.4	-179.5	178.5	169.2	0.7	111.4	I45 C46 G144 V148 T340	I45-R146 CarbonylContact C-O 3.5Å; I45-R146 WeakPolarHBondContact CA-O 3.41Å; C46-R146 HydrophobicContact CB-CG 3.71Å; C46-R146 PolarHBondContact N-O 2.78Å; C46-R146 WeakPolarHBondContact O-CG 3.23Å; C46-R146 PolarHBondContact O-N 2.73Å; C46-R146 PolarHBondContact SG-NE 3.26Å; C46-R146 VanDerWaalsContact SG-NE 3.42Å; G144-R146 PolarHBondContact O-N 3.02Å; R146-V148 HydrophobicContact CG-CG2 3.92Å; R146-T340 PolarHBondContact NH1-O 2.8Å; R146-T340 PolarHBondContact NH1-OG1 2.71Å
147	L	69.1	Low	62.3	Low	13 Å²	13	59.4 Å²	59.4	7%	0.068	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.7	169.7	-78.6	172.8	0	0	0	109	Y43 K44 I45 L71 I99 I135 V137	Y43-L147 HydrophobicContact CD1-CB 4.12Å; Y43-L147 HydrophobicContact CG-CB 4.44Å; K44-L147 WeakPolarHBondContact O-CA 3.42Å; I45-L147 HydrophobicContact CB-CD2 4.4Å; I45-L147 HydrophobicContact CG1-CD2 3.46Å; I45-L147 VanDerWaalsContact CG1-CD2 3.46Å; I45-L147 HydrophobicContact CG1-CG 4.45Å; L71-L147 HydrophobicContact CD1-CD1 4.46Å; L71-L147 HydrophobicContact CD2-CD1 3.73Å; I99-L147 HydrophobicContact CD1-CD1 4.14Å; I99-L147 HydrophobicContact CD1-CD2 3.71Å; I99-L147 HydrophobicContact CG1-CD2 4.42Å; I135-L147 HydrophobicContact CD1-CD1 3.76Å; V137-L147 HydrophobicContact CB-CB 4.26Å; V137-L147 HydrophobicContact CG1-CB 3.58Å; V137-L147 WeakPolarHBondContact CG1-O 3.41Å; V137-L147 HydrophobicContact CG2-CB 4.46Å; V137-L147 HydrophobicContact CG2-CD1 4.35Å; V137-L147 PolarHBondContact O-N 3.2Å
148	V	67.3	Low	61.5	Low	50 Å²	50	66.5 Å²	66.5	30%	0.303	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.6	-179.7	-173.9	0	0	0	0	108.7	Y43 K44 C46 R146	Y43-V148 CarbonylContact C-O 3.49Å; Y43-V148 VanDerWaalsContact CA-O 3.31Å; Y43-V148 WeakPolarHBondContact CA-O 3.18Å; K44-V148 PolarHBondContact N-O 3.08Å; K44-V148 PolarHBondContact O-N 3.48Å; C46-V148 HydrophobicContact CB-CG2 3.85Å; R146-V148 HydrophobicContact CG-CG2 3.92Å
149	P	67.4	Low	60.8	Low	79 Å²	79	70.5 Å²	70.5	51%	0.513	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	139.7	176.4	25.8	-33	0	0	0	110.7	V41 C42 Y43	V41-P149 HydrophobicContact CG1-CB 4.3Å; C42-P149 CarbonylContact O-C 3.25Å; C42-P149 VanDerWaalsContact O-CA 3.27Å; C42-P149 WeakPolarHBondContact O-CA 3.41Å; Y43-P149 HydrophobicContact CD1-CB 4.21Å; Y43-P149 HydrophobicContact CE1-CB 3.94Å; Y43-P149 HydrophobicContact CE1-CG 4.27Å
150	V	72	Confident	60.2	Low	50 Å²	50	72.1 Å²	72.1	30%	0.303	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.5	-179.7	-64.3	0	0	0	0	110.6	C42 K44 C98	C42-V150 HydrophobicContact CB-CG2 4.25Å; C42-V150 VanDerWaalsContact CB-O 3.28Å; C42-V150 WeakPolarHBondContact CB-O 3.42Å; C42-V150 PolarHBondContact O-N 3.06Å; K44-V150 HydrophobicContact CB-CG1 4.01Å; K44-V150 HydrophobicContact CB-CG2 4.21Å; K44-V150 HydrophobicContact CD-CB 4.47Å; K44-V150 HydrophobicContact CD-CG1 4.07Å; K44-V150 HydrophobicContact CD-CG2 3.95Å; K44-V150 HydrophobicContact CG-CG1 4.24Å; K44-V150 HydrophobicContact CG-CG2 3.75Å; C98-V150 VanDerWaalsContact SG-CG2 3.6Å
151	E	66.3	Low	60.1	Low	64 Å²	64	77 Å²	77	30%	0.299	42%	0.417	S	S	.	.			trans	-66	143.1	172.3	-63.9	-168.8	177.5	0	0	110.9	I156 Q159 K168	E151-I156 HydrophobicContact CB-CD1 4.25Å; E151-I156 HydrophobicContact CB-CG1 4.01Å; E151-Q159 PolarHBondContact OE2-NE2 3.22Å; E151-K168 WeakPolarHBondContact OE1-CE 3.05Å; E151-K168 IonicContact OE1-NZ 3.03Å; E151-K168 PolarHBondContact OE1-NZ 3.36Å
152	S	65.9	Low	60	Low	22 Å²	22	80.7 Å²	80.7	15%	0.154	43%	0.432	C	S	.	.			trans	-63.2	143.2	179.5	78.6	0	0	0	0	110.2	E154 T155 I156	S152-E154 PolarHBondContact O-N 3.21Å; S152-E154 VanDerWaalsContact O-N 3.14Å; S152-T155 WeakPolarHBondContact O-CB 3.39Å; S152-T155 PolarHBondContact O-N 3.47Å; S152-T155 WeakPolarHBondContact OG-CB 3.34Å; S152-T155 PolarHBondContact OG-N 2.87Å; S152-T155 PolarHBondContact OG-OG1 3.26Å; S152-I156 PolarHBondContact O-N 3.11Å; S152-I156 VanDerWaalsContact O-N 3.09Å
153	P	62.8	Low	60.3	Low	78 Å²	78	83.9 Å²	83.9	51%	0.506	45%	0.445	S	S	.	.	H	α-helix	trans	-55.3	-33.2	178.9	-25.5	34	0	0	0	113.3	I156 S157	P153-I156 PolarHBondContact O-N 3.27Å; P153-S157 WeakPolarHBondContact O-CB 3.37Å; P153-S157 PolarHBondContact O-N 3.25Å
154	E	61	Low	60.4	Low	133 Å²	133	85 Å²	85	62%	0.621	46%	0.456	S	S	*	.	H	α-helix	trans	-66.4	-39.9	176.6	-63.9	169.5	-175.4	0	0	112	S152 S157 R158	S152-E154 PolarHBondContact O-N 3.21Å; S152-E154 VanDerWaalsContact O-N 3.14Å; E154-S157 PolarHBondContact O-N 2.96Å; E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 3.06Å
155	T	59.9	Low	60.3	Low	38 Å²	38	92.8 Å²	92.8	23%	0.233	48%	0.475	C	S	.	.	H	α-helix	trans	-65.8	-45	176	-56.4	0	0	0	0	110.8	S152 S157 R158 Q159	S152-T155 WeakPolarHBondContact O-CB 3.39Å; S152-T155 PolarHBondContact O-N 3.47Å; S152-T155 WeakPolarHBondContact OG-CB 3.34Å; S152-T155 PolarHBondContact OG-N 2.87Å; S152-T155 PolarHBondContact OG-OG1 3.26Å; T155-S157 VanDerWaalsContact C-N 3.29Å; T155-S157 PolarHBondContact O-N 3.42Å; T155-R158 PolarHBondContact O-N 3.47Å; T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.31Å; T155-Q159 VanDerWaalsContact O-N 3.09Å
156	I	59.9	Low	60	Low	65 Å²	65	94.5 Å²	94.5	33%	0.333	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-40.9	176.4	-62.4	169.4	0	0	0	110.5	E151 S152 P153 Q159 Q160	E151-I156 HydrophobicContact CB-CD1 4.25Å; E151-I156 HydrophobicContact CB-CG1 4.01Å; S152-I156 PolarHBondContact O-N 3.11Å; S152-I156 VanDerWaalsContact O-N 3.09Å; P153-I156 PolarHBondContact O-N 3.27Å; I156-Q159 PolarHBondContact O-N 2.9Å; I156-Q160 WeakPolarHBondContact O-CG 3.34Å; I156-Q160 PolarHBondContact O-N 2.99Å
157	S	58	Low	59.4	Low	74 Å²	74	96.3 Å²	96.3	52%	0.517	50%	0.495	S	S	.	.	H	α-helix	trans	-69.2	-34.2	179.3	-172.5	0	0	0	0	113.2	P153 E154 T155	P153-S157 WeakPolarHBondContact O-CB 3.37Å; P153-S157 PolarHBondContact O-N 3.25Å; E154-S157 PolarHBondContact O-N 2.96Å; T155-S157 VanDerWaalsContact C-N 3.29Å; T155-S157 PolarHBondContact O-N 3.42Å
158	R	58.2	Low	59	Low	156 Å²	156	100.8 Å²	100.8	59%	0.589	51%	0.513	S	S	*	.	H	α-helix	trans	-69.6	-38.3	174.5	-74.7	-178.7	-175.1	172.4	4.3	112.5	E154 T155 Q160 Q161	E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 3.06Å; T155-R158 PolarHBondContact O-N 3.47Å; R158-Q160 PolarHBondContact O-N 3.06Å; R158-Q161 PolarHBondContact O-N 2.93Å
159	Q	55.1	Low	59.1	Low	102 Å²	102	100.6 Å²	100.6	48%	0.477	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-24.2	176.5	-72.6	174.5	12	0	0	113.7	E151 T155 I156 Q161	E151-Q159 PolarHBondContact OE2-NE2 3.22Å; T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.31Å; T155-Q159 VanDerWaalsContact O-N 3.09Å; I156-Q159 PolarHBondContact O-N 2.9Å; Q159-Q161 VanDerWaalsContact C-N 3.3Å; Q159-Q161 PolarHBondContact O-N 2.93Å
160	Q	55.5	Low	59.6	Low	150 Å²	150	97.4 Å²	97.4	70%	0.701	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	4.9	-178.7	-70.8	178.3	-5.8	0	0	114.4	I156 R158	I156-Q160 WeakPolarHBondContact O-CG 3.34Å; I156-Q160 PolarHBondContact O-N 2.99Å; R158-Q160 PolarHBondContact O-N 3.06Å
161	Q	56.7	Low	60	Low	132 Å²	132	99.9 Å²	99.9	62%	0.617	50%	0.497	S	S	*	.			trans	-77.4	135.4	179.2	-64.9	-171.6	4.2	0	0	112.6	R158 Q159 F163	R158-Q161 PolarHBondContact O-N 2.93Å; Q159-Q161 VanDerWaalsContact C-N 3.3Å; Q159-Q161 PolarHBondContact O-N 2.93Å; Q161-F163 VanDerWaalsContact C-N 3.35Å; Q161-F163 PolarHBondContact O-N 2.97Å
162	L	48.4	Very low	60.8	Low	165 Å²	165	102.9 Å²	102.9	86%	0.864	51%	0.506	S	S	*	.	S	Bend	trans	-69.4	-14.8	-167.1	-101.4	122.5	0	0	0	116.8
163	F	54.3	Low	61.9	Low	195 Å²	195	103.1 Å²	103.1	86%	0.855	50%	0.503	S	S	*	.	S	Bend	trans	-120	101.8	178.9	-70	-78.1	0	0	0	108.9	Q161 Y165	Q161-F163 VanDerWaalsContact C-N 3.35Å; Q161-F163 PolarHBondContact O-N 2.97Å; F163-Y165 PolarHBondContact O-N 3.33Å
164	G	52.1	Low	63.2	Low	68 Å²	68	101.1 Å²	101.1	70%	0.701	49%	0.487	S	S	*	.			trans	-58.8	115.8	-171.2	0	0	0	0	0	113.2
165	Y	50.9	Low	64.4	Low	201 Å²	201	97.8 Å²	97.8	79%	0.788	47%	0.472	S	S	*	.				-163.1	122	127.2	-98.4	-77.4	0	0	0	106.1	F163	F163-Y165 PolarHBondContact O-N 3.33Å
166	D	50.1	Low	65.9	Low	104 Å²	104	96 Å²	96	56%	0.556	46%	0.461	S	S	*	.			trans	-159.8	103	153.7	-99	-21.9	0	0	0	108.1	K168	D166-K168 PolarHBondContact O-N 2.66Å; D166-K168 VanDerWaalsContact O-N 3.17Å
167	H	55.9	Low	67.4	Low	84 Å²	84	93 Å²	93	39%	0.389	45%	0.445	S	S	.	.			trans	-52.6	121.8	174.7	-85.9	-0.8	0	0	0	109	P169 S187	H167-P169 VanDerWaalsContact O-CD 3.26Å; H167-P169 WeakPolarHBondContact O-CD 3.47Å; H167-S187 PolarHBondContact NE2-O 2.76Å
168	K	61	Low	68.9	Low	106 Å²	106	90.2 Å²	90.2	46%	0.461	43%	0.425	S	S	.	.			trans	-55.9	114.2	168.4	-169.9	173.7	-170.8	171.4	0	107.1	E151 D166	E151-K168 WeakPolarHBondContact OE1-CE 3.05Å; E151-K168 IonicContact OE1-NZ 3.03Å; E151-K168 PolarHBondContact OE1-NZ 3.36Å; D166-K168 PolarHBondContact O-N 2.66Å; D166-K168 VanDerWaalsContact O-N 3.17Å
169	P	69	Low	70.3	Confident	47 Å²	47	82.9 Å²	82.9	31%	0.305	40%	0.398	S	S	.	.			trans	-63.1	143.7	-175.8	23.9	-31.4	0	0	0	109.5	H167 Y171 K190 A192	H167-P169 VanDerWaalsContact O-CD 3.26Å; H167-P169 WeakPolarHBondContact O-CD 3.47Å; P169-Y171 VanDerWaalsContact O-CD1 3.23Å; P169-Y171 WeakPolarHBondContact O-CD1 3.38Å; P169-Y171 PolarHBondContact O-N 2.67Å; P169-K190 CarbonylContact C-O 3.55Å; P169-K190 VanDerWaalsContact CA-O 3.31Å; P169-K190 WeakPolarHBondContact CA-O 3.46Å; P169-A192 HydrophobicContact CB-CB 4.34Å
170	C	79.4	Confident	71.9	Confident	11 Å²	11	82.5 Å²	82.5	7%	0.074	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-75.9	114.9	177.8	-61	0	0	0	0	109.3	Q175 V176 K190 A192	C170-Q175 HydrophobicContact CB-CB 3.78Å; C170-V176 HydrophobicContact CB-CG2 4.44Å; C170-K190 PolarHBondContact N-O 2.82Å; C170-A192 PolarHBondContact O-N 3.27Å
171	Y	79.4	Confident	73.5	Confident	102 Å²	102	76.7 Å²	76.7	40%	0.4	37%	0.37	S	S	.	.			trans	-113.7	-4.4	-176.8	56.2	-90	0	0	0	113.1	P169	P169-Y171 VanDerWaalsContact O-CD1 3.23Å; P169-Y171 WeakPolarHBondContact O-CD1 3.38Å; P169-Y171 PolarHBondContact O-N 2.67Å
172	R	83.8	Confident	74.8	Confident	128 Å²	128	71.1 Å²	71.1	48%	0.483	35%	0.346	S	S	.	.	S	Bend	trans	-108.7	143	176.9	-62.3	-172.9	62.7	159.3	-0.8	111	E174 Q175 V176	R172-E174 WeakPolarHBondContact CB-OE2 3.39Å; R172-E174 IonicContact CZ-OE1 3.95Å; R172-E174 IonicContact NE-OE1 2.68Å; R172-E174 IonicContact NE-OE2 3.54Å; R172-E174 PolarHBondContact NE-OE2 3.08Å; R172-E174 IonicContact NH2-OE1 2.81Å; R172-E174 PolarHBondContact NH2-OE1 3.4Å; R172-E174 IonicContact NH2-OE2 2.62Å; R172-E174 PolarHBondContact O-N 2.75Å; R172-Q175 HydrophobicContact CB-CG 4.21Å; R172-Q175 WeakPolarHBondContact O-CB 3.21Å; R172-Q175 PolarHBondContact O-N 3.26Å; R172-Q175 VanDerWaalsContact O-N 3.08Å; R172-V176 WeakPolarHBondContact O-CG2 3.33Å; R172-V176 PolarHBondContact O-N 3.09Å; R172-V176 VanDerWaalsContact O-N 3.12Å
173	W	88.9	Confident	76.4	Confident	26 Å²	26	67.8 Å²	67.8	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-35	-178	66.9	-92.7	0	0	0	112.1	L34 Y36 Q175 V176 V177 R410 L414	L34-W173 HydrophobicContact CD1-CE3 3.74Å; L34-W173 HydrophobicContact CD1-CH2 4.32Å; L34-W173 HydrophobicContact CD1-CZ3 3.45Å; L34-W173 VanDerWaalsContact CD1-CZ3 3.45Å; Y36-W173 HydrophobicContact CD1-CB 4.35Å; W173-Q175 VanDerWaalsContact C-N 3.31Å; W173-Q175 PolarHBondContact O-N 3.27Å; W173-V176 PolarHBondContact O-N 3.46Å; W173-V176 VanDerWaalsContact O-N 3.16Å; W173-V177 HydrophobicContact CE3-CG2 4.24Å; W173-V177 WeakPolarHBondContact O-CG2 3.28Å; W173-V177 PolarHBondContact O-N 2.82Å; W173-R410 VanDerWaalsContact CD1-CZ 3.42Å; W173-R410 HydrophobicContact CD2-CB 4.38Å; W173-R410 HydrophobicContact CD2-CG 4.11Å; W173-R410 HydrophobicContact CE3-CB 4.36Å; W173-R410 HydrophobicContact CH2-CB 3.71Å; W173-R410 HydrophobicContact CH2-CG 4.15Å; W173-R410 WeakPolarHBondContact CH2-O 3.46Å; W173-R410 HydrophobicContact CZ2-CB 3.72Å; W173-R410 HydrophobicContact CZ2-CG 3.63Å; W173-R410 HydrophobicContact CZ3-CB 4.04Å; W173-L414 HydrophobicContact CH2-CD2 4.2Å; W173-L414 HydrophobicContact CH2-CG 3.88Å; W173-L414 HydrophobicContact CZ3-CD1 3.8Å; W173-L414 HydrophobicContact CZ3-CD2 3.89Å; W173-L414 HydrophobicContact CZ3-CG 3.59Å
174	E	88.9	Confident	77.4	Confident	36 Å²	36	62.2 Å²	62.2	17%	0.168	30%	0.302	C	S	.	.	H	α-helix	trans	-59.2	-44.5	176.6	-58.2	89.2	148	0	0	111	R172 V176 V177 D178	R172-E174 WeakPolarHBondContact CB-OE2 3.39Å; R172-E174 IonicContact CZ-OE1 3.95Å; R172-E174 IonicContact NE-OE1 2.68Å; R172-E174 IonicContact NE-OE2 3.54Å; R172-E174 PolarHBondContact NE-OE2 3.08Å; R172-E174 IonicContact NH2-OE1 2.81Å; R172-E174 PolarHBondContact NH2-OE1 3.4Å; R172-E174 IonicContact NH2-OE2 2.62Å; R172-E174 PolarHBondContact O-N 2.75Å; E174-V176 VanDerWaalsContact C-N 3.34Å; E174-V177 PolarHBondContact O-N 2.98Å; E174-D178 VanDerWaalsContact O-CG 3.27Å; E174-D178 PolarHBondContact O-N 2.7Å
175	Q	87.4	Confident	78.2	Confident	63 Å²	63	67 Å²	67	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-36.5	178.5	-62.6	173.6	-26.8	0	0	111.3	C170 R172 W173 D178 V179	C170-Q175 HydrophobicContact CB-CB 3.78Å; R172-Q175 HydrophobicContact CB-CG 4.21Å; R172-Q175 WeakPolarHBondContact O-CB 3.21Å; R172-Q175 PolarHBondContact O-N 3.26Å; R172-Q175 VanDerWaalsContact O-N 3.08Å; W173-Q175 VanDerWaalsContact C-N 3.31Å; W173-Q175 PolarHBondContact O-N 3.27Å; Q175-D178 WeakPolarHBondContact O-CB 3.27Å; Q175-D178 PolarHBondContact O-N 2.95Å; Q175-V179 WeakPolarHBondContact O-CB 3.42Å; Q175-V179 WeakPolarHBondContact O-CG2 3.41Å; Q175-V179 PolarHBondContact O-N 3.24Å
176	V	90.9	Very high	79.4	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-43.7	177.2	177.3	0	0	0	0	110.7	Y36 C170 R172 W173 E174 D178 V179 E180 I191	Y36-V176 HydrophobicContact CD1-CG2 3.79Å; Y36-V176 HydrophobicContact CD2-CB 4.41Å; Y36-V176 HydrophobicContact CD2-CG1 4.14Å; Y36-V176 HydrophobicContact CD2-CG2 3.81Å; Y36-V176 HydrophobicContact CE1-CG2 3.95Å; Y36-V176 HydrophobicContact CE2-CG2 3.95Å; Y36-V176 HydrophobicContact CG-CB 4.2Å; Y36-V176 HydrophobicContact CG-CG1 4.3Å; Y36-V176 HydrophobicContact CG-CG2 3.72Å; C170-V176 HydrophobicContact CB-CG2 4.44Å; R172-V176 WeakPolarHBondContact O-CG2 3.33Å; R172-V176 PolarHBondContact O-N 3.09Å; R172-V176 VanDerWaalsContact O-N 3.12Å; W173-V176 PolarHBondContact O-N 3.46Å; W173-V176 VanDerWaalsContact O-N 3.16Å; E174-V176 VanDerWaalsContact C-N 3.34Å; V176-D178 VanDerWaalsContact C-N 3.3Å; V176-D178 PolarHBondContact O-N 3.18Å; V176-V179 PolarHBondContact O-N 3.45Å; V176-E180 HydrophobicContact CG1-CG 4.42Å; V176-E180 WeakPolarHBondContact O-CB 3.38Å; V176-E180 WeakPolarHBondContact O-CG 3.26Å; V176-E180 PolarHBondContact O-N 3.25Å; V176-I191 HydrophobicContact CG1-CD1 4.02Å; V176-I191 HydrophobicContact CG1-CG1 4.43Å; V176-I191 HydrophobicContact CG1-CG2 4.21Å; V176-I191 HydrophobicContact CG2-CG1 4.3Å; V176-I191 HydrophobicContact CG2-CG2 3.65Å
177	V	90.9	Very high	80.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.7	-48.4	173	169.6	0	0	0	0	110.6	F16 W173 E174 E180 N181 L414	F16-V177 HydrophobicContact CB-CG1 4.3Å; F16-V177 HydrophobicContact CD1-CB 4.45Å; F16-V177 HydrophobicContact CD1-CG1 3.38Å; F16-V177 HydrophobicContact CD1-CG2 4.22Å; F16-V177 HydrophobicContact CD2-CG1 4.37Å; F16-V177 HydrophobicContact CE1-CB 4.29Å; F16-V177 HydrophobicContact CE1-CG1 3.67Å; F16-V177 HydrophobicContact CE1-CG2 3.59Å; F16-V177 HydrophobicContact CG-CG1 3.75Å; F16-V177 HydrophobicContact CZ-CG1 4.28Å; F16-V177 HydrophobicContact CZ-CG2 3.76Å; W173-V177 HydrophobicContact CE3-CG2 4.24Å; W173-V177 WeakPolarHBondContact O-CG2 3.28Å; W173-V177 PolarHBondContact O-N 2.82Å; E174-V177 PolarHBondContact O-N 2.98Å; V177-E180 PolarHBondContact O-N 2.78Å; V177-N181 WeakPolarHBondContact O-CB 3.24Å; V177-N181 PolarHBondContact O-N 3.4Å; V177-N181 VanDerWaalsContact O-N 3.13Å; V177-N181 PolarHBondContact O-ND2 2.75Å; V177-L414 HydrophobicContact CG1-CD1 3.92Å; V177-L414 HydrophobicContact CG2-CD1 4.28Å
178	D	89.3	Confident	81.4	Confident	16 Å²	16	61.1 Å²	61.1	9%	0.086	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-49.4	178.5	-74.1	-14.5	0	0	0	111.9	L9 R13 E174 Q175 V176 E180 N181 A182 Y184	L9-D178 HydrophobicContact CD1-CB 3.43Å; L9-D178 VanDerWaalsContact CD1-CB 3.43Å; L9-D178 WeakPolarHBondContact CD1-OD1 3.21Å; R13-D178 IonicContact CZ-OD1 2.67Å; R13-D178 IonicContact CZ-OD2 3.64Å; R13-D178 IonicContact NE-OD1 3.91Å; R13-D178 PolarHBondContact NE-OD1 2.88Å; R13-D178 IonicContact NE-OD2 3.52Å; R13-D178 IonicContact NH2-OD1 2.87Å; R13-D178 PolarHBondContact NH2-OD1 2.87Å; R13-D178 IonicContact NH2-OD2 3.61Å; R13-D178 PolarHBondContact NH2-OD2 2.93Å; E174-D178 VanDerWaalsContact O-CG 3.27Å; E174-D178 PolarHBondContact O-N 2.7Å; Q175-D178 WeakPolarHBondContact O-CB 3.27Å; Q175-D178 PolarHBondContact O-N 2.95Å; V176-D178 VanDerWaalsContact C-N 3.3Å; V176-D178 PolarHBondContact O-N 3.18Å; D178-E180 VanDerWaalsContact C-N 3.33Å; D178-E180 PolarHBondContact O-N 2.86Å; D178-N181 PolarHBondContact O-N 2.98Å; D178-A182 WeakPolarHBondContact O-CB 3.44Å; D178-A182 PolarHBondContact O-N 3.32Å; D178-Y184 PolarHBondContact O-OH 2.88Å
179	V	88.1	Confident	82.4	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-37.8	-178.3	171.2	0	0	0	0	112.7	Q175 V176 Y184 K188 P189 I191	Q175-V179 WeakPolarHBondContact O-CB 3.42Å; Q175-V179 WeakPolarHBondContact O-CG2 3.41Å; Q175-V179 PolarHBondContact O-N 3.24Å; V176-V179 PolarHBondContact O-N 3.45Å; V179-Y184 WeakPolarHBondContact CA-OH 3.49Å; V179-Y184 WeakPolarHBondContact CG2-OH 3.42Å; V179-Y184 PolarHBondContact N-OH 3.16Å; V179-Y184 WeakPolarHBondContact O-CE2 3.12Å; V179-K188 HydrophobicContact CG1-CD 4.27Å; V179-K188 HydrophobicContact CG1-CG 3.91Å; V179-K188 WeakPolarHBondContact O-CE 3.49Å; V179-K188 PolarHBondContact O-NZ 3.29Å; V179-P189 HydrophobicContact CG1-CB 4.38Å; V179-P189 WeakPolarHBondContact CG1-O 3.46Å; V179-P189 HydrophobicContact CG2-CB 3.68Å; V179-P189 HydrophobicContact CG2-CG 3.87Å; V179-I191 HydrophobicContact CB-CD1 4.38Å; V179-I191 HydrophobicContact CB-CG1 4.36Å; V179-I191 HydrophobicContact CG1-CD1 3.84Å; V179-I191 HydrophobicContact CG1-CG1 3.88Å
180	E	89.3	Confident	83.1	Confident	94 Å²	94	62.9 Å²	62.9	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-77.2	-28.4	-179.8	-71.4	-170.6	168.8	0	0	114	S33 V176 V177 D178 I191	S33-E180 WeakPolarHBondContact CB-OE2 3.43Å; S33-E180 PolarHBondContact OG-OE2 3.38Å; V176-E180 HydrophobicContact CG1-CG 4.42Å; V176-E180 WeakPolarHBondContact O-CB 3.38Å; V176-E180 WeakPolarHBondContact O-CG 3.26Å; V176-E180 PolarHBondContact O-N 3.25Å; V177-E180 PolarHBondContact O-N 2.78Å; D178-E180 VanDerWaalsContact C-N 3.33Å; D178-E180 PolarHBondContact O-N 2.86Å; E180-I191 HydrophobicContact CG-CD1 3.95Å
181	N	88.2	Confident	83.5	Confident	28 Å²	28	65.2 Å²	65.2	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-114	-18.5	-168.5	-61.7	-85.4	0	0	0	114.2	G12 F16 V177 D178	G12-N181 VanDerWaalsContact CA-O 3.25Å; G12-N181 WeakPolarHBondContact CA-O 3.34Å; F16-N181 HydrophobicContact CB-CB 4.24Å; F16-N181 VanDerWaalsContact CD2-ND2 3.27Å; F16-N181 WeakPolarHBondContact CD2-ND2 3.14Å; V177-N181 WeakPolarHBondContact O-CB 3.24Å; V177-N181 PolarHBondContact O-N 3.4Å; V177-N181 VanDerWaalsContact O-N 3.13Å; V177-N181 PolarHBondContact O-ND2 2.75Å; D178-N181 PolarHBondContact O-N 2.98Å
182	A	84.8	Confident	83.8	Confident	14 Å²	14	61.9 Å²	61.9	12%	0.116	32%	0.324	C	S	.	.	S	Bend	trans	-84.4	153.3	176.1	0	0	0	0	0	112.3	L9 D178 Y184	L9-A182 HydrophobicContact CD1-CB 3.89Å; D178-A182 WeakPolarHBondContact O-CB 3.44Å; D178-A182 PolarHBondContact O-N 3.32Å; A182-Y184 HydrophobicContact CB-CE2 3.91Å; A182-Y184 WeakPolarHBondContact O-CD2 3.29Å; A182-Y184 WeakPolarHBondContact O-CE2 3.33Å
183	I	81.1	Confident	84.1	Confident	95 Å²	95	62.1 Å²	62.1	49%	0.487	33%	0.33	S	S	.	.			trans	-86.4	128.7	172.1	-61.1	173.8	0	0	0	108.4	H8	H8-I183 HydrophobicContact CB-CB 4.24Å
184	Y	75.3	Confident	84.2	Confident	79 Å²	79	63 Å²	63	31%	0.31	34%	0.339	S	S	.	.			trans	-109.7	134.3	179.4	-70.4	-90.3	0	0	0	111.2	D178 V179 A182 K188 P189	D178-Y184 PolarHBondContact O-OH 2.88Å; V179-Y184 WeakPolarHBondContact CA-OH 3.49Å; V179-Y184 WeakPolarHBondContact CG2-OH 3.42Å; V179-Y184 PolarHBondContact N-OH 3.16Å; V179-Y184 WeakPolarHBondContact O-CE2 3.12Å; A182-Y184 HydrophobicContact CB-CE2 3.91Å; A182-Y184 WeakPolarHBondContact O-CD2 3.29Å; A182-Y184 WeakPolarHBondContact O-CE2 3.33Å; Y184-K188 HydrophobicContact CD2-CG 4.32Å; Y184-P189 HydrophobicContact CD1-CG 4.26Å; Y184-P189 VanDerWaalsContact CE1-CD 3.49Å; Y184-P189 HydrophobicContact CE1-CG 3.72Å
185	I	69.9	Low	84.4	Confident	167 Å²	167	62.3 Å²	62.3	86%	0.856	34%	0.337	S	S	*	.	S	Bend	trans	-93.2	106	167.4	-57.9	177	0	0	0	106.9
186	G	75.8	Confident	84.6	Confident	65 Å²	65	62.9 Å²	62.9	67%	0.67	35%	0.348	S	S	*	.	S	Bend	trans	105.1	-154.8	-176.7	0	0	0	0	0	113.9	K188	G186-K188 PolarHBondContact O-N 3.22Å
187	S	72.5	Confident	84.6	Confident	97 Å²	97	67.1 Å²	67.1	68%	0.678	37%	0.373	S	S	*	.	S	Bend	trans	-72.5	116.4	-175.1	-55.4	0	0	0	0	112	H167	H167-S187 PolarHBondContact NE2-O 2.76Å
188	K	75.9	Confident	84.6	Confident	105 Å²	105	67.2 Å²	67.2	46%	0.457	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-55.8	135.8	176.2	-176.2	170	168.1	159.5	0	111.3	V179 Y184 G186	V179-K188 HydrophobicContact CG1-CD 4.27Å; V179-K188 HydrophobicContact CG1-CG 3.91Å; V179-K188 WeakPolarHBondContact O-CE 3.49Å; V179-K188 PolarHBondContact O-NZ 3.29Å; Y184-K188 HydrophobicContact CD2-CG 4.32Å; G186-K188 PolarHBondContact O-N 3.22Å
189	P	81.9	Confident	84.9	Confident	32 Å²	32	66.5 Å²	66.5	21%	0.208	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-55.8	144.9	173.7	-24.9	34.8	0	0	0	112.2	V179 Y184	V179-P189 HydrophobicContact CG1-CB 4.38Å; V179-P189 WeakPolarHBondContact CG1-O 3.46Å; V179-P189 HydrophobicContact CG2-CB 3.68Å; V179-P189 HydrophobicContact CG2-CG 3.87Å; Y184-P189 HydrophobicContact CD1-CG 4.26Å; Y184-P189 VanDerWaalsContact CE1-CD 3.49Å; Y184-P189 HydrophobicContact CE1-CG 3.72Å
190	K	83.7	Confident	85.3	Confident	157 Å²	157	71.5 Å²	71.5	68%	0.683	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-86.6	131.3	176.9	-71.9	-174.7	178.5	177.7	0	110	P169 C170	P169-K190 CarbonylContact C-O 3.55Å; P169-K190 VanDerWaalsContact CA-O 3.31Å; P169-K190 WeakPolarHBondContact CA-O 3.46Å; C170-K190 PolarHBondContact N-O 2.82Å
191	I	88.1	Confident	85.5	Confident	60 Å²	60	69.7 Å²	69.7	31%	0.308	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-85.6	136.3	174.1	-61.9	159.8	0	0	0	108.1	Y36 V176 V179 E180	Y36-I191 HydrophobicContact CD2-CG2 4.38Å; Y36-I191 HydrophobicContact CE2-CG2 3.69Å; V176-I191 HydrophobicContact CG1-CD1 4.02Å; V176-I191 HydrophobicContact CG1-CG1 4.43Å; V176-I191 HydrophobicContact CG1-CG2 4.21Å; V176-I191 HydrophobicContact CG2-CG1 4.3Å; V176-I191 HydrophobicContact CG2-CG2 3.65Å; V179-I191 HydrophobicContact CB-CD1 4.38Å; V179-I191 HydrophobicContact CB-CG1 4.36Å; V179-I191 HydrophobicContact CG1-CD1 3.84Å; V179-I191 HydrophobicContact CG1-CG1 3.88Å; E180-I191 HydrophobicContact CG-CD1 3.95Å
192	A	86.1	Confident	85.8	Confident	33 Å²	33	69 Å²	69	27%	0.273	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-69.3	161.7	174.6	0	0	0	0	0	111.2	Y36 P169 C170 C194	Y36-A192 WeakPolarHBondContact OH-CB 3.22Å; Y36-A192 PolarHBondContact OH-O 2.96Å; Y36-A192 VanDerWaalsContact OH-O 3.07Å; P169-A192 HydrophobicContact CB-CB 4.34Å; C170-A192 PolarHBondContact O-N 3.27Å; A192-C194 PolarHBondContact O-N 3.2Å
193	E	89.3	Confident	86.4	Confident	133 Å²	133	70.9 Å²	70.9	62%	0.621	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-61.3	138.1	176.3	-68.7	-171	173.6	0	0	110.8	K39	K39-E193 HydrophobicContact CB-CB 4.14Å; K39-E193 VanDerWaalsContact CB-O 3.25Å; K39-E193 WeakPolarHBondContact CB-O 3.33Å; K39-E193 HydrophobicContact CD-CB 3.96Å; K39-E193 VanDerWaalsContact CD-OE2 3.31Å; K39-E193 WeakPolarHBondContact CD-OE2 3.36Å; K39-E193 PolarHBondContact N-O 3.37Å; K39-E193 IonicContact NZ-OE2 3.4Å; K39-E193 PolarHBondContact NZ-OE2 2.79Å
194	C	91.8	Very high	87.1	Confident	43 Å²	43	72.1 Å²	72.1	29%	0.291	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-94.2	153.6	176.7	65.3	0	0	0	0	112.2	Y36 V37 A192 S196 V199	Y36-C194 HydrophobicContact CD2-CB 3.87Å; Y36-C194 HydrophobicContact CE2-CB 3.66Å; V37-C194 CarbonylContact O-C 3.6Å; V37-C194 WeakPolarHBondContact O-CA 3.38Å; V37-C194 WeakPolarHBondContact O-CB 3.44Å; A192-C194 PolarHBondContact O-N 3.2Å; C194-S196 PolarHBondContact O-N 3.32Å; C194-V199 HydrophobicContact CB-CG2 4.2Å
195	D	91.6	Very high	88	Confident	23 Å²	23	69.3 Å²	69.3	12%	0.123	38%	0.375	C	S	.	.			trans	-79.2	99.2	163.4	-177	-27.4	0	0	0	108.8	V37 V197 A198 V199	V37-D195 HydrophobicContact CG1-CB 4.26Å; V37-D195 PolarHBondContact O-N 2.8Å; D195-V197 PolarHBondContact O-N 3.43Å; D195-V197 WeakPolarHBondContact OD1-CB 3.42Å; D195-V197 PolarHBondContact OD1-N 2.83Å; D195-A198 HydrophobicContact CB-CB 3.95Å; D195-A198 PolarHBondContact O-N 2.79Å; D195-A198 PolarHBondContact OD1-N 2.69Å; D195-V199 WeakPolarHBondContact O-CB 3.39Å; D195-V199 WeakPolarHBondContact O-CG2 3.32Å; D195-V199 PolarHBondContact O-N 3.27Å
196	S	91.9	Very high	89.2	Confident	75 Å²	75	62.1 Å²	62.1	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-30.4	-178	57.5	0	0	0	0	113.1	C194 Q200	C194-S196 PolarHBondContact O-N 3.32Å; S196-Q200 VanDerWaalsContact O-CG 3.23Å; S196-Q200 WeakPolarHBondContact O-CG 3.37Å; S196-Q200 PolarHBondContact O-N 3.03Å; S196-Q200 VanDerWaalsContact O-N 3.11Å
197	V	91.3	Very high	89.9	Confident	90 Å²	90	65.1 Å²	65.1	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-74.5	-46.3	-178.8	179	0	0	0	0	109.8	D195 V199 Q200 K201	D195-V197 PolarHBondContact O-N 3.43Å; D195-V197 WeakPolarHBondContact OD1-CB 3.42Å; D195-V197 PolarHBondContact OD1-N 2.83Å; V197-V199 VanDerWaalsContact C-N 3.35Å; V197-V199 PolarHBondContact O-N 3.34Å; V197-Q200 PolarHBondContact O-N 3.31Å; V197-K201 WeakPolarHBondContact O-CG 3.3Å; V197-K201 PolarHBondContact O-N 3.14Å
198	A	91.3	Very high	90.7	Very high	3 Å²	3	66.2 Å²	66.2	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-41.5	176.7	0	0	0	0	0	111.9	V37 E104 D195 Q200 K201 L202	V37-A198 HydrophobicContact CB-CB 3.94Å; V37-A198 HydrophobicContact CG1-CB 3.79Å; V37-A198 HydrophobicContact CG2-CB 4Å; E104-A198 HydrophobicContact CB-CB 4.14Å; E104-A198 HydrophobicContact CG-CB 4.21Å; D195-A198 HydrophobicContact CB-CB 3.95Å; D195-A198 PolarHBondContact O-N 2.79Å; D195-A198 PolarHBondContact OD1-N 2.69Å; A198-Q200 PolarHBondContact O-N 3.31Å; A198-K201 WeakPolarHBondContact O-CB 3.27Å; A198-K201 PolarHBondContact O-N 2.84Å; A198-L202 PolarHBondContact O-N 2.91Å
199	V	95.1	Very high	91.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-47	174.2	169.7	0	0	0	0	111.2	E32 C35 V37 C194 D195 V197 K201 L202 R203	E32-V199 HydrophobicContact CG-CG1 3.51Å; C35-V199 HydrophobicContact CB-CG1 4.37Å; C35-V199 WeakPolarHBondContact O-CG2 3.41Å; V37-V199 HydrophobicContact CB-CG2 4.28Å; C194-V199 HydrophobicContact CB-CG2 4.2Å; D195-V199 WeakPolarHBondContact O-CB 3.39Å; D195-V199 WeakPolarHBondContact O-CG2 3.32Å; D195-V199 PolarHBondContact O-N 3.27Å; V197-V199 VanDerWaalsContact C-N 3.35Å; V197-V199 PolarHBondContact O-N 3.34Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 3.07Å; V199-L202 PolarHBondContact O-N 3.33Å; V199-R203 HydrophobicContact CG1-CG 4.41Å; V199-R203 WeakPolarHBondContact O-CG 3.39Å; V199-R203 PolarHBondContact O-N 2.89Å
200	Q	96	Very high	92.1	Very high	108 Å²	108	62.8 Å²	62.8	51%	0.505	34%	0.336	S	S	.	.	H	α-helix	trans	-66.1	-34.1	179.2	-69.8	-59.3	-22.8	0	0	112.9	S196 V197 A198 L202 R203 Y204	S196-Q200 VanDerWaalsContact O-CG 3.23Å; S196-Q200 WeakPolarHBondContact O-CG 3.37Å; S196-Q200 PolarHBondContact O-N 3.03Å; S196-Q200 VanDerWaalsContact O-N 3.11Å; V197-Q200 PolarHBondContact O-N 3.31Å; A198-Q200 PolarHBondContact O-N 3.31Å; Q200-L202 VanDerWaalsContact C-N 3.31Å; Q200-L202 PolarHBondContact O-N 2.92Å; Q200-R203 PolarHBondContact O-N 2.96Å; Q200-Y204 PolarHBondContact O-N 3.14Å
201	K	94.4	Very high	92.5	Very high	57 Å²	57	56.5 Å²	56.5	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-38	173.3	-70.5	171.7	-178.9	170.6	0	112.4	E104 V197 A198 V199	E104-K201 WeakPolarHBondContact OE1-CD 3.31Å; E104-K201 IonicContact OE1-NZ 3.42Å; E104-K201 PolarHBondContact OE1-NZ 2.94Å; E104-K201 IonicContact OE2-NZ 3.28Å; E104-K201 PolarHBondContact OE2-NZ 3.13Å; V197-K201 WeakPolarHBondContact O-CG 3.3Å; V197-K201 PolarHBondContact O-N 3.14Å; A198-K201 WeakPolarHBondContact O-CB 3.27Å; A198-K201 PolarHBondContact O-N 2.84Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 3.07Å
202	L	95.1	Very high	92.6	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-74.1	-33.4	176.4	-68.9	176.9	0	0	0	112.4	C35 V37 A198 V199 Q200 Y204 R403 L406 V407	C35-L202 HydrophobicContact CB-CB 3.84Å; C35-L202 HydrophobicContact CB-CD1 4.37Å; V37-L202 HydrophobicContact CG2-CD1 3.66Å; A198-L202 PolarHBondContact O-N 2.91Å; V199-L202 PolarHBondContact O-N 3.33Å; Q200-L202 VanDerWaalsContact C-N 3.31Å; Q200-L202 PolarHBondContact O-N 2.92Å; L202-Y204 VanDerWaalsContact C-N 3.34Å; L202-R403 HydrophobicContact CD2-CB 3.99Å; L202-R403 HydrophobicContact CD2-CG 4.11Å; L202-L406 HydrophobicContact CD2-CD2 4.03Å; L202-V407 HydrophobicContact CB-CG2 3.99Å; L202-V407 HydrophobicContact CD2-CG2 4.21Å
203	R	96.3	Very high	93	Very high	54 Å²	54	54.5 Å²	54.5	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-79.2	-16.3	179.4	-69.7	-177.5	75.5	-172.1	-7	114	P29 I30 E32 C35 V199 Q200 V205	P29-R203 HydrophobicContact CB-CB 4.37Å; I30-R203 PolarHBondContact O-NE 3.06Å; E32-R203 IonicContact OE2-NH1 3.66Å; E32-R203 PolarHBondContact OE2-NH1 3Å; C35-R203 HydrophobicContact CB-CG 3.61Å; C35-R203 WeakPolarHBondContact SG-CG 3.45Å; V199-R203 HydrophobicContact CG1-CG 4.41Å; V199-R203 WeakPolarHBondContact O-CG 3.39Å; V199-R203 PolarHBondContact O-N 2.89Å; Q200-R203 PolarHBondContact O-N 2.96Å; R203-V205 PolarHBondContact O-N 3.36Å
204	Y	96.5	Very high	93.3	Very high	120 Å²	120	48.2 Å²	48.2	47%	0.471	26%	0.263	S	S	.	.			trans	-60.4	130.5	-177.1	178.7	-101.5	0	0	0	111.7	Q200 L202 P206 I400	Q200-Y204 PolarHBondContact O-N 3.14Å; L202-Y204 VanDerWaalsContact C-N 3.34Å; Y204-P206 HydrophobicContact CE1-CG 4.07Å; Y204-I400 HydrophobicContact CD1-CD1 4.45Å; Y204-I400 HydrophobicContact CE1-CD1 3.97Å
205	V	94.6	Very high	93.3	Very high	21 Å²	21	48.4 Å²	48.4	13%	0.127	26%	0.26	C	S	.	.			trans	-122.8	123.6	174.7	-172.2	0	0	0	0	107.9	S27 R203 W209 R404	S27-V205 WeakPolarHBondContact O-CG1 3.13Å; R203-V205 PolarHBondContact O-N 3.36Å; V205-W209 HydrophobicContact CG1-CB 3.71Å; V205-W209 HydrophobicContact CG1-CG 3.96Å; V205-R404 VanDerWaalsContact CG2-NH1 3.3Å
206	P	93.4	Very high	93.3	Very high	16 Å²	16	48 Å²	48	10%	0.104	26%	0.258	C	S	.	.			trans	-58.6	144	176	-22.4	31.1	0	0	0	111.6	Y204 T208 W209 I400	Y204-P206 HydrophobicContact CE1-CG 4.07Å; P206-T208 PolarHBondContact O-N 2.76Å; P206-T208 VanDerWaalsContact O-N 3.13Å; P206-W209 HydrophobicContact CB-CB 4.03Å; P206-W209 HydrophobicContact CG-CB 4.21Å; P206-W209 HydrophobicContact CG-CD2 4.43Å; P206-W209 HydrophobicContact CG-CE3 3.99Å; P206-W209 WeakPolarHBondContact O-CB 3.46Å; P206-W209 PolarHBondContact O-N 3.14Å; P206-I400 HydrophobicContact CG-CG2 3.92Å
207	P	91.1	Very high	93.3	Very high	127 Å²	127	44.5 Å²	44.5	83%	0.825	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.6	-179.2	-26.5	34.9	0	0	0	115.2
208	T	90.1	Very high	93.3	Very high	121 Å²	121	40.2 Å²	40.2	74%	0.742	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	1.4	177.5	56.8	0	0	0	0	112.9	P206	P206-T208 PolarHBondContact O-N 2.76Å; P206-T208 VanDerWaalsContact O-N 3.13Å
209	W	94.1	Very high	93.2	Very high	10 Å²	10	42.1 Å²	42.1	4%	0.038	22%	0.215	C	C	.	.			trans	-75.3	130	-178.2	-163.7	-93	0	0	0	109.8	S27 V205 P206 C213 D214 L217 L393 T396 L401 R404	S27-W209 VanDerWaalsContact CB-O 3.27Å; S27-W209 WeakPolarHBondContact CB-O 3.46Å; S27-W209 PolarHBondContact OG-O 2.98Å; V205-W209 HydrophobicContact CG1-CB 3.71Å; V205-W209 HydrophobicContact CG1-CG 3.96Å; P206-W209 HydrophobicContact CB-CB 4.03Å; P206-W209 HydrophobicContact CG-CB 4.21Å; P206-W209 HydrophobicContact CG-CD2 4.43Å; P206-W209 HydrophobicContact CG-CE3 3.99Å; P206-W209 WeakPolarHBondContact O-CB 3.46Å; P206-W209 PolarHBondContact O-N 3.14Å; W209-C213 HydrophobicContact CD2-CB 3.49Å; W209-C213 VanDerWaalsContact CD2-CB 3.49Å; W209-C213 HydrophobicContact CE3-CB 3.8Å; W209-C213 HydrophobicContact CG-CB 4.03Å; W209-C213 HydrophobicContact CH2-CB 3.85Å; W209-C213 HydrophobicContact CZ2-CB 3.55Å; W209-C213 HydrophobicContact CZ3-CB 3.97Å; W209-D214 PolarHBondContact NE1-OD1 3.02Å; W209-D214 PolarHBondContact NE1-OD2 3.38Å; W209-L217 HydrophobicContact CH2-CD2 4.28Å; W209-L217 HydrophobicContact CZ2-CD2 4.09Å; W209-L393 HydrophobicContact CH2-CD2 3.78Å; W209-L393 HydrophobicContact CZ3-CD2 4.31Å; W209-T396 HydrophobicContact CZ3-CG2 4.16Å; W209-L401 HydrophobicContact CH2-CD2 3.61Å; W209-L401 HydrophobicContact CZ3-CD2 3.81Å; W209-R404 HydrophobicContact CZ2-CG 3.91Å
210	T	93.4	Very high	92.8	Very high	54 Å²	54	42.1 Å²	42.1	33%	0.331	22%	0.215	S	C	.	.			trans	-117.4	171.1	177.3	72.2	0	0	0	0	110.3	S27 E212 C213	S27-T210 VanDerWaalsContact OG-C 3.28Å; S27-T210 VanDerWaalsContact OG-CA 3.3Å; S27-T210 WeakPolarHBondContact OG-CA 2.83Å; T210-E212 WeakPolarHBondContact CB-OE2 3.43Å; T210-E212 PolarHBondContact O-N 3Å; T210-E212 PolarHBondContact OG1-OE2 3.47Å; T210-C213 VanDerWaalsContact O-CB 3.3Å; T210-C213 WeakPolarHBondContact O-CB 3.22Å; T210-C213 PolarHBondContact O-N 3.38Å
211	Y	92.2	Very high	92.1	Very high	25 Å²	25	37.6 Å²	37.6	10%	0.098	19%	0.194	C	C	.	.	H	α-helix	trans	-58.7	-33.2	176.1	-178.2	-116.1	0	0	0	112.3	F24 R25 S27 C213 D214 E215 S438 F442	F24-Y211 HydrophobicContact CB-CD2 4.06Å; F24-Y211 HydrophobicContact CB-CE2 3.95Å; F24-Y211 WeakPolarHBondContact O-CD2 3.12Å; R25-Y211 HydrophobicContact CG-CD2 4.31Å; R25-Y211 HydrophobicContact CG-CE2 4.16Å; S27-Y211 PolarHBondContact OG-N 2.87Å; Y211-C213 VanDerWaalsContact C-N 3.28Å; Y211-C213 PolarHBondContact O-N 3.35Å; Y211-D214 WeakPolarHBondContact O-CA 3.45Å; Y211-D214 WeakPolarHBondContact O-CB 3.05Å; Y211-D214 PolarHBondContact O-N 2.93Å; Y211-E215 HydrophobicContact CD1-CG 4.3Å; Y211-E215 HydrophobicContact CE1-CG 3.94Å; Y211-E215 VanDerWaalsContact CE1-OE1 3.31Å; Y211-E215 WeakPolarHBondContact CE1-OE1 3.48Å; Y211-E215 PolarHBondContact O-N 3.44Å; Y211-S438 PolarHBondContact OH-O 3.35Å; Y211-F442 AromaticContact CE2-CE2 3.59Å; Y211-F442 HydrophobicContact CE2-CE2 3.59Å; Y211-F442 AromaticContact CE2-CZ 3.91Å; Y211-F442 HydrophobicContact CE2-CZ 3.91Å; Y211-F442 AromaticContact CZ-CE2 3.74Å; Y211-F442 WeakPolarHBondContact OH-CE2 3.41Å
212	E	89.7	Confident	91.6	Very high	45 Å²	45	39.7 Å²	39.7	21%	0.21	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-27	177.6	-58.4	73.4	-167.7	0	0	112.5	T210 D214 E215 D216 K631	T210-E212 WeakPolarHBondContact CB-OE2 3.43Å; T210-E212 PolarHBondContact O-N 3Å; T210-E212 PolarHBondContact OG1-OE2 3.47Å; E212-D214 VanDerWaalsContact C-N 3.29Å; E212-E215 PolarHBondContact O-N 3.29Å; E212-D216 WeakPolarHBondContact O-CB 3.42Å; E212-D216 PolarHBondContact O-N 2.91Å; E212-K631 IonicContact OE1-NZ 3.41Å; E212-K631 PolarHBondContact OE1-NZ 3.12Å
213	C	93.8	Very high	90.6	Very high	7 Å²	7	41.6 Å²	41.6	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-37.5	169.5	-62.6	0	0	0	0	110.5	W209 T210 Y211 L217 L393	W209-C213 HydrophobicContact CD2-CB 3.49Å; W209-C213 VanDerWaalsContact CD2-CB 3.49Å; W209-C213 HydrophobicContact CE3-CB 3.8Å; W209-C213 HydrophobicContact CG-CB 4.03Å; W209-C213 HydrophobicContact CH2-CB 3.85Å; W209-C213 HydrophobicContact CZ2-CB 3.55Å; W209-C213 HydrophobicContact CZ3-CB 3.97Å; T210-C213 VanDerWaalsContact O-CB 3.3Å; T210-C213 WeakPolarHBondContact O-CB 3.22Å; T210-C213 PolarHBondContact O-N 3.38Å; Y211-C213 VanDerWaalsContact C-N 3.28Å; Y211-C213 PolarHBondContact O-N 3.35Å; C213-L217 VanDerWaalsContact O-CB 3.24Å; C213-L217 WeakPolarHBondContact O-CB 3.45Å; C213-L217 PolarHBondContact O-N 3.27Å; C213-L393 HydrophobicContact CB-CD2 4.48Å; C213-L393 WeakPolarHBondContact O-CD2 3.29Å
214	D	95.3	Very high	89.3	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.2	-39.6	173.9	-68.3	-45.8	0	0	0	111.5	F24 W209 Y211 E212 L217 V218 R404 I408 F442	F24-D214 WeakPolarHBondContact CD1-OD2 3.2Å; W209-D214 PolarHBondContact NE1-OD1 3.02Å; W209-D214 PolarHBondContact NE1-OD2 3.38Å; Y211-D214 WeakPolarHBondContact O-CA 3.45Å; Y211-D214 WeakPolarHBondContact O-CB 3.05Å; Y211-D214 PolarHBondContact O-N 2.93Å; E212-D214 VanDerWaalsContact C-N 3.29Å; D214-L217 PolarHBondContact O-N 2.96Å; D214-V218 WeakPolarHBondContact O-CB 3.43Å; D214-V218 VanDerWaalsContact O-CG2 3.28Å; D214-V218 WeakPolarHBondContact O-CG2 2.86Å; D214-V218 PolarHBondContact O-N 3.47Å; D214-R404 IonicContact OD1-CZ 2.96Å; D214-R404 IonicContact OD1-NE 3.82Å; D214-R404 PolarHBondContact OD1-NE 3.38Å; D214-R404 IonicContact OD1-NH2 3.5Å; D214-R404 PolarHBondContact OD1-NH2 2.76Å; D214-R404 IonicContact OD2-CZ 2.8Å; D214-R404 IonicContact OD2-NE 2.77Å; D214-R404 IonicContact OD2-NH2 3.58Å; D214-R404 PolarHBondContact OD2-NH2 3.09Å; D214-I408 HydrophobicContact CB-CD1 4.35Å; D214-F442 HydrophobicContact CB-CE2 4.38Å; D214-F442 HydrophobicContact CB-CZ 3.72Å
215	E	91.8	Very high	87.6	Confident	47 Å²	47	40.1 Å²	40.1	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-46.3	174	-65.9	-174.3	143.4	0	0	112	Y211 E212 L217 V218 H219 Q441 F442	Y211-E215 HydrophobicContact CD1-CG 4.3Å; Y211-E215 HydrophobicContact CE1-CG 3.94Å; Y211-E215 VanDerWaalsContact CE1-OE1 3.31Å; Y211-E215 WeakPolarHBondContact CE1-OE1 3.48Å; Y211-E215 PolarHBondContact O-N 3.44Å; E212-E215 PolarHBondContact O-N 3.29Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.4Å; E215-V218 WeakPolarHBondContact O-CB 3.41Å; E215-V218 PolarHBondContact O-N 3.03Å; E215-H219 PolarHBondContact O-CD2 3.12Å; E215-H219 PolarHBondContact O-N 2.81Å; E215-Q441 HydrophobicContact CB-CB 4.38Å; E215-Q441 HydrophobicContact CG-CB 4.04Å; E215-Q441 HydrophobicContact CG-CG 4.1Å; E215-Q441 VanDerWaalsContact OE1-CG 3.25Å; E215-Q441 WeakPolarHBondContact OE1-CG 3.39Å; E215-F442 HydrophobicContact CG-CE2 4.39Å
216	D	91.5	Very high	85.4	Confident	15 Å²	15	40.6 Å²	40.6	8%	0.08	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-40.6	175.8	-81.7	0.3	0	0	0	112	E212 V218 H219 Y220 Y390 R392 L393	E212-D216 WeakPolarHBondContact O-CB 3.42Å; E212-D216 PolarHBondContact O-N 2.91Å; D216-V218 VanDerWaalsContact C-N 3.29Å; D216-V218 PolarHBondContact O-N 3.5Å; D216-H219 PolarHBondContact O-N 3.12Å; D216-Y220 WeakPolarHBondContact O-CB 3.22Å; D216-Y220 PolarHBondContact O-N 2.84Å; D216-Y390 HydrophobicContact CB-CD1 3.83Å; D216-Y390 HydrophobicContact CB-CE1 4.49Å; D216-R392 IonicContact OD1-CZ 2.75Å; D216-R392 IonicContact OD1-NE 3.43Å; D216-R392 IonicContact OD1-NH2 3.46Å; D216-R392 PolarHBondContact OD1-NH2 2.85Å; D216-R392 WeakPolarHBondContact OD2-CB 3.33Å; D216-R392 IonicContact OD2-CZ 3.75Å; D216-R392 IonicContact OD2-NE 3.66Å; D216-R392 PolarHBondContact OD2-NE 3.18Å; D216-R392 IonicContact OD2-NH2 2.79Å; D216-R392 PolarHBondContact OD2-NH2 2.89Å; D216-L393 HydrophobicContact CB-CD1 4.15Å; D216-L393 HydrophobicContact CB-CD2 4.08Å; D216-L393 HydrophobicContact CB-CG 4.02Å
217	L	92.9	Very high	83.1	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-39.2	177	-177.1	59	0	0	0	110.9	W209 C213 D214 E215 F221 F382 L393 R404 A405 I408	W209-L217 HydrophobicContact CH2-CD2 4.28Å; W209-L217 HydrophobicContact CZ2-CD2 4.09Å; C213-L217 VanDerWaalsContact O-CB 3.24Å; C213-L217 WeakPolarHBondContact O-CB 3.45Å; C213-L217 PolarHBondContact O-N 3.27Å; D214-L217 PolarHBondContact O-N 2.96Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.4Å; L217-F221 HydrophobicContact CD1-CD2 4.13Å; L217-F221 HydrophobicContact CD1-CE2 3.99Å; L217-F221 WeakPolarHBondContact O-CB 3.27Å; L217-F221 WeakPolarHBondContact O-CD2 3.29Å; L217-F221 PolarHBondContact O-N 2.93Å; L217-F382 HydrophobicContact CD1-CE1 3.6Å; L217-F382 HydrophobicContact CD1-CZ 4.31Å; L217-L393 HydrophobicContact CB-CD1 4.4Å; L217-L393 HydrophobicContact CB-CD2 4.2Å; L217-L393 HydrophobicContact CD1-CD1 4.39Å; L217-R404 HydrophobicContact CD2-CB 3.93Å; L217-R404 HydrophobicContact CD2-CG 3.81Å; L217-A405 HydrophobicContact CD1-CB 4.35Å; L217-A405 HydrophobicContact CD2-CB 4.12Å; L217-A405 HydrophobicContact CG-CB 4.31Å; L217-I408 HydrophobicContact CD2-CD1 3.9Å; L217-I408 HydrophobicContact CG-CD1 4.35Å
218	V	91.9	Very high	80.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-47.6	173.9	160.6	0	0	0	0	112	D214 E215 D216 Y220 F221 Y222 I408 Q441 F442 L445	D214-V218 WeakPolarHBondContact O-CB 3.43Å; D214-V218 VanDerWaalsContact O-CG2 3.28Å; D214-V218 WeakPolarHBondContact O-CG2 2.86Å; D214-V218 PolarHBondContact O-N 3.47Å; E215-V218 WeakPolarHBondContact O-CB 3.41Å; E215-V218 PolarHBondContact O-N 3.03Å; D216-V218 VanDerWaalsContact C-N 3.29Å; D216-V218 PolarHBondContact O-N 3.5Å; V218-Y220 VanDerWaalsContact C-N 3.35Å; V218-F221 VanDerWaalsContact O-CB 3.32Å; V218-F221 WeakPolarHBondContact O-CB 3.24Å; V218-F221 PolarHBondContact O-N 2.66Å; V218-Y222 WeakPolarHBondContact O-CB 3.34Å; V218-Y222 PolarHBondContact O-N 3.36Å; V218-I408 HydrophobicContact CG2-CD1 4.27Å; V218-I408 HydrophobicContact CG2-CG2 3.9Å; V218-Q441 WeakPolarHBondContact CG1-O 3.29Å; V218-F442 HydrophobicContact CG2-CD1 4.05Å; V218-F442 HydrophobicContact CG2-CD2 4.32Å; V218-F442 HydrophobicContact CG2-CE1 4.27Å; V218-F442 HydrophobicContact CG2-CE2 4.49Å; V218-F442 HydrophobicContact CG2-CG 4.09Å; V218-F442 HydrophobicContact CG2-CZ 4.48Å; V218-L445 HydrophobicContact CB-CD1 4.32Å; V218-L445 HydrophobicContact CG1-CD1 4.14Å; V218-L445 HydrophobicContact CG1-CG 4.07Å; V218-L445 HydrophobicContact CG2-CD1 3.97Å
219	H	87.3	Confident	78.4	Confident	42 Å²	42	43.4 Å²	43.4	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-44.5	177	-83	-70.7	0	0	0	111.6	E215 D216 F221 Y222 D223 Y390 Q441 L444	E215-H219 PolarHBondContact O-CD2 3.12Å; E215-H219 PolarHBondContact O-N 2.81Å; D216-H219 PolarHBondContact O-N 3.12Å; H219-F221 VanDerWaalsContact C-N 3.27Å; H219-F221 PolarHBondContact O-N 3.08Å; H219-Y222 PolarHBondContact O-N 3.19Å; H219-Y222 VanDerWaalsContact O-N 3.17Å; H219-D223 WeakPolarHBondContact O-CB 3.15Å; H219-D223 PolarHBondContact O-N 3.18Å; H219-Y390 HydrophobicContact CB-CE1 3.78Å; H219-Y390 WeakPolarHBondContact CB-OH 3.27Å; H219-Q441 PolarHBondContact CE1-OE1 3.15Å; H219-Q441 VanDerWaalsContact CE1-OE1 3.25Å; H219-Q441 PolarHBondContact NE2-OE1 3.18Å; H219-L444 WeakPolarHBondContact CE1-CD1 3.22Å
220	Y	87	Confident	75.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.8	-44.2	173.8	176.9	-104.9	0	0	0	111.5	D216 V218 D223 H224 V381 F382 N386 L387 Y390	D216-Y220 WeakPolarHBondContact O-CB 3.22Å; D216-Y220 PolarHBondContact O-N 2.84Å; V218-Y220 VanDerWaalsContact C-N 3.35Å; Y220-D223 PolarHBondContact O-N 2.87Å; Y220-H224 AromaticContact CD2-CE1 3.39Å; Y220-H224 WeakPolarHBondContact CD2-CE1 3.35Å; Y220-H224 AromaticContact CD2-ND1 3.41Å; Y220-H224 WeakPolarHBondContact CD2-ND1 3.4Å; Y220-H224 AromaticContact CE2-CD2 3.92Å; Y220-H224 AromaticContact CE2-CE1 3.24Å; Y220-H224 WeakPolarHBondContact CE2-CE1 3.45Å; Y220-H224 AromaticContact CE2-CG 3.82Å; Y220-H224 AromaticContact CE2-ND1 3.38Å; Y220-H224 WeakPolarHBondContact CE2-ND1 3.13Å; Y220-H224 AromaticContact CE2-NE2 3.58Å; Y220-H224 WeakPolarHBondContact O-CB 3.49Å; Y220-H224 PolarHBondContact O-N 3.3Å; Y220-H224 VanDerWaalsContact O-N 3.16Å; Y220-H224 PolarHBondContact O-ND1 2.93Å; Y220-V381 HydrophobicContact CE1-CG1 3.79Å; Y220-V381 VanDerWaalsContact OH-C 3.31Å; Y220-V381 WeakPolarHBondContact OH-CG1 3.47Å; Y220-V381 PolarHBondContact OH-O 2.78Å; Y220-F382 HydrophobicContact CD1-CD1 4.39Å; Y220-F382 HydrophobicContact CD1-CE1 4.18Å; Y220-F382 AromaticContact CE1-CD1 3.82Å; Y220-F382 HydrophobicContact CE1-CD1 3.82Å; Y220-F382 AromaticContact CE1-CE1 3.95Å; Y220-F382 HydrophobicContact CE1-CE1 3.95Å; Y220-N386 HydrophobicContact CE2-CB 4.17Å; Y220-N386 WeakPolarHBondContact CE2-O 3.47Å; Y220-N386 VanDerWaalsContact OH-CB 3.31Å; Y220-N386 WeakPolarHBondContact OH-CB 3.31Å; Y220-L387 HydrophobicContact CD1-CD2 4.33Å; Y220-L387 HydrophobicContact CD2-CD2 4.05Å; Y220-L387 HydrophobicContact CE1-CD2 4.12Å; Y220-L387 HydrophobicContact CE2-CD2 3.84Å; Y220-L387 HydrophobicContact CG-CD2 4.3Å; Y220-Y390 AromaticContact CD2-CD2 3.63Å; Y220-Y390 HydrophobicContact CD2-CD2 3.63Å; Y220-Y390 AromaticContact CD2-CE2 3.68Å; Y220-Y390 HydrophobicContact CD2-CE2 3.68Å; Y220-Y390 HydrophobicContact CG-CD2 4.26Å; Y220-Y390 HydrophobicContact CG-CE2 4.28Å; Y220-Y390 PolarHBondContact N-OH 3.43Å
221	F	83	Confident	73.1	Confident	14 Å²	14	54.4 Å²	54.4	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-48.6	175.5	-95.2	-123.6	0	0	0	112.3	L217 V218 H219 D223 H224 I225 G226 L377 F382 A405 L445	L217-F221 HydrophobicContact CD1-CD2 4.13Å; L217-F221 HydrophobicContact CD1-CE2 3.99Å; L217-F221 WeakPolarHBondContact O-CB 3.27Å; L217-F221 WeakPolarHBondContact O-CD2 3.29Å; L217-F221 PolarHBondContact O-N 2.93Å; V218-F221 VanDerWaalsContact O-CB 3.32Å; V218-F221 WeakPolarHBondContact O-CB 3.24Å; V218-F221 PolarHBondContact O-N 2.66Å; H219-F221 VanDerWaalsContact C-N 3.27Å; H219-F221 PolarHBondContact O-N 3.08Å; F221-D223 VanDerWaalsContact C-N 3.3Å; F221-D223 PolarHBondContact O-N 3.42Å; F221-H224 PolarHBondContact O-N 3.48Å; F221-I225 HydrophobicContact CD1-CD1 3.69Å; F221-I225 HydrophobicContact CD2-CD1 4.41Å; F221-I225 HydrophobicContact CE1-CD1 3.62Å; F221-I225 HydrophobicContact CE2-CD1 4.3Å; F221-I225 HydrophobicContact CG-CD1 4.06Å; F221-I225 HydrophobicContact CZ-CD1 3.89Å; F221-I225 WeakPolarHBondContact O-CA 3.41Å; F221-I225 VanDerWaalsContact O-CB 3.29Å; F221-I225 WeakPolarHBondContact O-CB 3.49Å; F221-I225 PolarHBondContact O-N 3.23Å; F221-G226 PolarHBondContact O-N 2.9Å; F221-L377 HydrophobicContact CE1-CD1 3.51Å; F221-L377 HydrophobicContact CE1-CD2 3.82Å; F221-L377 HydrophobicContact CE1-CG 4.2Å; F221-L377 HydrophobicContact CE2-CD1 4.29Å; F221-L377 HydrophobicContact CZ-CD1 3.22Å; F221-L377 HydrophobicContact CZ-CD2 3.52Å; F221-L377 HydrophobicContact CZ-CG 3.97Å; F221-F382 HydrophobicContact CD2-CE1 4.46Å; F221-F382 HydrophobicContact CD2-CZ 4.48Å; F221-F382 AromaticContact CE2-CE1 3.45Å; F221-F382 HydrophobicContact CE2-CE1 3.45Å; F221-F382 VanDerWaalsContact CE2-CE1 3.45Å; F221-F382 HydrophobicContact CE2-CE2 4.27Å; F221-F382 AromaticContact CE2-CZ 3.2Å; F221-F382 HydrophobicContact CE2-CZ 3.2Å; F221-F382 HydrophobicContact CZ-CE1 4.13Å; F221-F382 HydrophobicContact CZ-CE2 4.16Å; F221-F382 AromaticContact CZ-CZ 3.4Å; F221-F382 HydrophobicContact CZ-CZ 3.4Å; F221-A405 HydrophobicContact CD1-CB 4.47Å; F221-A405 HydrophobicContact CD2-CB 4.34Å; F221-A405 HydrophobicContact CE1-CB 3.61Å; F221-A405 HydrophobicContact CE2-CB 3.5Å; F221-A405 HydrophobicContact CZ-CB 3.08Å; F221-L445 HydrophobicContact CB-CD1 4.14Å; F221-L445 HydrophobicContact CB-CD2 3.67Å
222	Y	82.1	Confident	70.8	Confident	100 Å²	100	56.5 Å²	56.5	39%	0.392	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-44.3	-179.9	179.7	-104.5	0	0	0	111.2	V218 H219 H224 G226 L444	V218-Y222 WeakPolarHBondContact O-CB 3.34Å; V218-Y222 PolarHBondContact O-N 3.36Å; H219-Y222 PolarHBondContact O-N 3.19Å; H219-Y222 VanDerWaalsContact O-N 3.17Å; Y222-H224 PolarHBondContact O-N 3.43Å; Y222-G226 WeakPolarHBondContact O-CA 3.48Å; Y222-G226 PolarHBondContact O-N 2.81Å; Y222-G226 VanDerWaalsContact O-N 3.12Å; Y222-L444 HydrophobicContact CD2-CB 3.88Å; Y222-L444 VanDerWaalsContact CD2-O 3.24Å; Y222-L444 WeakPolarHBondContact CD2-O 3.22Å; Y222-L444 HydrophobicContact CE1-CD2 4.36Å; Y222-L444 HydrophobicContact CE2-CB 4.39Å; Y222-L444 HydrophobicContact CE2-CD2 4.36Å; Y222-L444 WeakPolarHBondContact CE2-O 3.5Å; Y222-L444 HydrophobicContact CG-CB 4.06Å
223	D	74.8	Confident	68.9	Low	54 Å²	54	55.4 Å²	55.4	29%	0.289	28%	0.279	S	S	.	.	H	α-helix	trans	-67.3	-34.8	-179.2	-78.8	-20.1	0	0	0	114.7	H219 Y220 F221 Y390	H219-D223 WeakPolarHBondContact O-CB 3.15Å; H219-D223 PolarHBondContact O-N 3.18Å; Y220-D223 PolarHBondContact O-N 2.87Å; F221-D223 VanDerWaalsContact C-N 3.3Å; F221-D223 PolarHBondContact O-N 3.42Å; D223-Y390 PolarHBondContact OD2-OH 3.35Å
224	H	69.6	Low	67.3	Low	82 Å²	82	57.1 Å²	57.1	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-105.4	-22.3	-169.1	-65.3	76.4	0	0	0	113.9	Y220 F221 Y222 V381	Y220-H224 AromaticContact CD2-CE1 3.39Å; Y220-H224 WeakPolarHBondContact CD2-CE1 3.35Å; Y220-H224 AromaticContact CD2-ND1 3.41Å; Y220-H224 WeakPolarHBondContact CD2-ND1 3.4Å; Y220-H224 AromaticContact CE2-CD2 3.92Å; Y220-H224 AromaticContact CE2-CE1 3.24Å; Y220-H224 WeakPolarHBondContact CE2-CE1 3.45Å; Y220-H224 AromaticContact CE2-CG 3.82Å; Y220-H224 AromaticContact CE2-ND1 3.38Å; Y220-H224 WeakPolarHBondContact CE2-ND1 3.13Å; Y220-H224 AromaticContact CE2-NE2 3.58Å; Y220-H224 WeakPolarHBondContact O-CB 3.49Å; Y220-H224 PolarHBondContact O-N 3.3Å; Y220-H224 VanDerWaalsContact O-N 3.16Å; Y220-H224 PolarHBondContact O-ND1 2.93Å; F221-H224 PolarHBondContact O-N 3.48Å; Y222-H224 PolarHBondContact O-N 3.43Å; H224-V381 HydrophobicContact CB-CG1 4.22Å
225	I	60.3	Low	66.2	Low	61 Å²	61	57.1 Å²	57.1	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-117.3	-30.7	-175.8	-53.8	176.9	0	0	0	110.6	F221 K227 L377	F221-I225 HydrophobicContact CD1-CD1 3.69Å; F221-I225 HydrophobicContact CD2-CD1 4.41Å; F221-I225 HydrophobicContact CE1-CD1 3.62Å; F221-I225 HydrophobicContact CE2-CD1 4.3Å; F221-I225 HydrophobicContact CG-CD1 4.06Å; F221-I225 HydrophobicContact CZ-CD1 3.89Å; F221-I225 WeakPolarHBondContact O-CA 3.41Å; F221-I225 VanDerWaalsContact O-CB 3.29Å; F221-I225 WeakPolarHBondContact O-CB 3.49Å; F221-I225 PolarHBondContact O-N 3.23Å; I225-K227 VanDerWaalsContact C-N 3.31Å; I225-K227 PolarHBondContact O-N 2.94Å; I225-L377 HydrophobicContact CD1-CD1 3.53Å
226	G	48.6	Very low	65.1	Low	30 Å²	30	60.9 Å²	60.9	31%	0.309	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-71.3	-16.3	-177.6	0	0	0	0	0	115.6	F221 Y222 D229	F221-G226 PolarHBondContact O-N 2.9Å; Y222-G226 WeakPolarHBondContact O-CA 3.48Å; Y222-G226 PolarHBondContact O-N 2.81Å; Y222-G226 VanDerWaalsContact O-N 3.12Å; G226-D229 PolarHBondContact O-N 3.09Å
227	K	45.1	Very low	63.9	Low	130 Å²	130	66.3 Å²	66.3	57%	0.565	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-81.5	-9.4	-179	-68.4	-179.4	-176.8	164	0	114.6	I225 D229 E230	I225-K227 VanDerWaalsContact C-N 3.31Å; I225-K227 PolarHBondContact O-N 2.94Å; K227-D229 VanDerWaalsContact C-N 3.25Å; K227-E230 PolarHBondContact O-N 3.14Å
228	E	42	Very low	63	Low	138 Å²	138	66.7 Å²	66.7	65%	0.645	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-72.4	-21.6	170.3	-67.1	-170.6	166.7	0	0	112.2	N231	E228-N231 PolarHBondContact O-N 3.47Å
229	D	39.2	Very low	62.5	Low	56 Å²	56	67 Å²	67	30%	0.299	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-77.9	-16.3	175.2	-86.6	-23.6	0	0	0	113.1	G226 K227 N231 L232 K368	G226-D229 PolarHBondContact O-N 3.09Å; K227-D229 VanDerWaalsContact C-N 3.25Å; D229-N231 PolarHBondContact O-N 3.4Å; D229-L232 HydrophobicContact CB-CD1 3.96Å; D229-L232 WeakPolarHBondContact O-CB 3.3Å; D229-L232 WeakPolarHBondContact O-CD1 3.39Å; D229-L232 PolarHBondContact O-N 3.25Å; D229-L232 VanDerWaalsContact O-N 3.14Å; D229-L232 VanDerWaalsContact OD1-CD1 3.29Å; D229-L232 WeakPolarHBondContact OD1-CD1 3.21Å; D229-K368 WeakPolarHBondContact OD1-CE 3.43Å; D229-K368 IonicContact OD1-NZ 3.89Å; D229-K368 PolarHBondContact OD1-NZ 3.03Å
230	E	40.2	Very low	62.2	Low	163 Å²	163	69.9 Å²	69.9	76%	0.762	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-68.4	-14.5	170.9	-71.8	-165.6	170.1	0	0	112.7	K227 L232	K227-E230 PolarHBondContact O-N 3.14Å; E230-L232 VanDerWaalsContact C-N 3.35Å
231	N	37.4	Very low	62.1	Low	131 Å²	131	71 Å²	71	70%	0.701	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-90.4	7.5	173.6	-72.3	-26.7	0	0	0	113.5	E228 D229 G233	E228-N231 PolarHBondContact O-N 3.47Å; D229-N231 PolarHBondContact O-N 3.4Å; N231-G233 PolarHBondContact O-N 3.35Å
232	L	44.5	Very low	62.5	Low	69 Å²	69	72.2 Å²	72.2	36%	0.361	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	130	169.2	-92.7	146.9	0	0	0	110.6	D229 E230 K368	D229-L232 HydrophobicContact CB-CD1 3.96Å; D229-L232 WeakPolarHBondContact O-CB 3.3Å; D229-L232 WeakPolarHBondContact O-CD1 3.39Å; D229-L232 PolarHBondContact O-N 3.25Å; D229-L232 VanDerWaalsContact O-N 3.14Å; D229-L232 VanDerWaalsContact OD1-CD1 3.29Å; D229-L232 WeakPolarHBondContact OD1-CD1 3.21Å; E230-L232 VanDerWaalsContact C-N 3.35Å; L232-K368 HydrophobicContact CD2-CB 3.88Å; L232-K368 HydrophobicContact CD2-CG 4.4Å
233	G	49.3	Very low	62.9	Low	22 Å²	22	71.6 Å²	71.6	23%	0.227	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	126.9	-11.2	152.3	0	0	0	0	0	116.7	N231 V235	N231-G233 PolarHBondContact O-N 3.35Å; G233-V235 PolarHBondContact O-N 2.93Å
234	S	59.9	Low	63.7	Low	44 Å²	44	70.3 Å²	70.3	31%	0.308	37%	0.37	S	S	.	.			trans	-91.8	86.5	174.8	-160.6	0	0	0	0	111.6	K236 Q237	S234-K236 PolarHBondContact O-N 3.19Å; S234-K236 VanDerWaalsContact O-N 3.13Å; S234-Q237 WeakPolarHBondContact O-CB 3.31Å; S234-Q237 PolarHBondContact O-N 3.18Å
235	V	71.6	Confident	64.7	Low	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-48.9	-38.5	170.1	-179.7	0	0	0	0	111.1	G233 Q237 C238 V239 I242 T259 L280 L365 I367	G233-V235 PolarHBondContact O-N 2.93Å; V235-Q237 PolarHBondContact O-N 2.83Å; V235-Q237 VanDerWaalsContact O-N 3.1Å; V235-C238 PolarHBondContact O-N 2.8Å; V235-V239 HydrophobicContact CG1-CG1 3.93Å; V235-V239 HydrophobicContact CG1-CG2 4Å; V235-V239 WeakPolarHBondContact O-CG2 3.38Å; V235-V239 PolarHBondContact O-N 3.01Å; V235-I242 HydrophobicContact CG1-CD1 3.68Å; V235-I242 HydrophobicContact CG1-CG1 4.4Å; V235-T259 HydrophobicContact CB-CG2 3.74Å; V235-T259 HydrophobicContact CG1-CG2 4.11Å; V235-T259 HydrophobicContact CG2-CG2 4.15Å; V235-L280 HydrophobicContact CG1-CD2 4.41Å; V235-L365 HydrophobicContact CB-CD2 4.19Å; V235-L365 HydrophobicContact CG1-CD2 3.69Å; V235-L365 VanDerWaalsContact CG2-C 3.5Å; V235-L365 HydrophobicContact CG2-CB 4.2Å; V235-L365 HydrophobicContact CG2-CD2 3.37Å; V235-L365 HydrophobicContact CG2-CG 4.38Å; V235-L365 WeakPolarHBondContact CG2-O 3.46Å; V235-I367 HydrophobicContact CG1-CD1 3.84Å; V235-I367 HydrophobicContact CG1-CG1 4.41Å; V235-I367 HydrophobicContact CG2-CG1 4.28Å
236	K	69.1	Low	65.8	Low	125 Å²	125	66.5 Å²	66.5	54%	0.543	36%	0.358	S	S	.	.	H	α-helix	trans	-56.3	-25.5	177.5	-64.8	-176.7	-178.6	172	0	113.6	S234 T259 K283	S234-K236 PolarHBondContact O-N 3.19Å; S234-K236 VanDerWaalsContact O-N 3.13Å; K236-T259 WeakPolarHBondContact CE-OG1 3.49Å; K236-K283 PolarHBondContact O-NZ 3.03Å
237	Q	66.4	Low	67.1	Low	130 Å²	130	67.8 Å²	67.8	61%	0.607	36%	0.362	S	S	*	.	H	α-helix	trans	-79.5	-28.4	176.8	-66.1	177.2	-1.1	0	0	112.2	S234 V235 K283	S234-Q237 WeakPolarHBondContact O-CB 3.31Å; S234-Q237 PolarHBondContact O-N 3.18Å; V235-Q237 PolarHBondContact O-N 2.83Å; V235-Q237 VanDerWaalsContact O-N 3.1Å; Q237-K283 VanDerWaalsContact O-CD 3.3Å; Q237-K283 WeakPolarHBondContact O-CD 3.25Å; Q237-K283 WeakPolarHBondContact O-CE 3.37Å; Q237-K283 PolarHBondContact O-NZ 3.24Å
238	C	73.1	Confident	68.5	Low	8 Å²	8	62.7 Å²	62.7	5%	0.054	34%	0.343	C	S	.	.	H	α-helix	trans	-93	-24.5	-175.9	-52.2	0	0	0	0	113.5	V235 M282 K283 T286 I367 S369	V235-C238 PolarHBondContact O-N 2.8Å; C238-M282 HydrophobicContact CB-CE 4.42Å; C238-K283 WeakPolarHBondContact O-CB 3.23Å; C238-K283 PolarHBondContact O-N 3.05Å; C238-T286 HydrophobicContact CB-CG2 4.07Å; C238-I367 HydrophobicContact CB-CB 4.27Å; C238-I367 HydrophobicContact CB-CD1 4.09Å; C238-I367 HydrophobicContact CB-CG2 4Å; C238-S369 PolarHBondContact SG-OG 3.39Å
239	V	81.3	Confident	69.5	Low	8 Å²	8	65.9 Å²	65.9	5%	0.048	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147	-174	-50.6	0	0	0	0	111.9	V235 I242 L280 L281 M282 K283 I367	V235-V239 HydrophobicContact CG1-CG1 3.93Å; V235-V239 HydrophobicContact CG1-CG2 4Å; V235-V239 WeakPolarHBondContact O-CG2 3.38Å; V235-V239 PolarHBondContact O-N 3.01Å; V239-I242 HydrophobicContact CG2-CD1 4.27Å; V239-I242 HydrophobicContact CG2-CG1 3.75Å; V239-L280 HydrophobicContact CG1-CB 4.15Å; V239-L280 HydrophobicContact CG1-CD2 4.41Å; V239-L281 CarbonylContact C-O 3.57Å; V239-L281 WeakPolarHBondContact CA-O 3.16Å; V239-L281 VanDerWaalsContact CB-O 3.26Å; V239-L281 WeakPolarHBondContact CB-O 3.5Å; V239-M282 HydrophobicContact CG1-SD 3.89Å; V239-K283 VanDerWaalsContact O-CE 3.24Å; V239-K283 WeakPolarHBondContact O-CE 3.43Å; V239-I367 HydrophobicContact CG1-CD1 3.8Å
240	T	82.4	Confident	70.7	Confident	103 Å²	103	67.5 Å²	67.5	63%	0.632	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	-23.6	167.5	52.5	0	0	0	0	111.9	L281 K283	T240-L281 PolarHBondContact N-O 3.32Å; T240-L281 WeakPolarHBondContact OG1-CB 3.47Å; T240-L281 PolarHBondContact OG1-O 2.86Å; T240-K283 HydrophobicContact CG2-CB 4.47Å; T240-K283 HydrophobicContact CG2-CG 3.63Å
241	G	84.4	Confident	71.6	Confident	24 Å²	24	65.7 Å²	65.7	25%	0.247	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	160	178.1	0	0	0	0	0	112.3	L281	G241-L281 PolarHBondContact O-N 3.02Å
242	I	91.1	Very high	72.5	Confident	38 Å²	38	62.2 Å²	62.2	20%	0.195	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.1	173.4	-55.8	176.1	0	0	0	106.9	V235 V239 V255 L258 T259 I278 R279 L280	V235-I242 HydrophobicContact CG1-CD1 3.68Å; V235-I242 HydrophobicContact CG1-CG1 4.4Å; V239-I242 HydrophobicContact CG2-CD1 4.27Å; V239-I242 HydrophobicContact CG2-CG1 3.75Å; I242-V255 HydrophobicContact CB-CG1 4.22Å; I242-V255 HydrophobicContact CG2-CG1 3.9Å; I242-L258 HydrophobicContact CG2-CD1 4.36Å; I242-T259 HydrophobicContact CD1-CG2 3.43Å; I242-T259 VanDerWaalsContact CD1-CG2 3.43Å; I242-I278 HydrophobicContact CG2-CG2 3.97Å; I242-R279 WeakPolarHBondContact CA-O 3.22Å; I242-L280 HydrophobicContact CD1-CD2 4.49Å; I242-L280 HydrophobicContact CG1-CD2 4.08Å; I242-L280 HydrophobicContact CG2-CD2 4.21Å
243	E	91.1	Very high	73.2	Confident	87 Å²	87	59 Å²	59	41%	0.407	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.4	173.8	-64.5	174.6	177	0	0	108.2	W277 I278 R279	E243-W277 HydrophobicContact CB-CH2 4.39Å; E243-W277 HydrophobicContact CB-CZ3 3.98Å; E243-I278 CarbonylContact O-C 3.52Å; E243-R279 HydrophobicContact CB-CB 4.23Å; E243-R279 PolarHBondContact N-O 3.41Å; E243-R279 PolarHBondContact O-N 3.02Å
244	V	92	Very high	74.4	Confident	27 Å²	27	58.7 Å²	58.7	16%	0.164	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.6	176.4	-62.2	0	0	0	0	109.4	S246 V255 L258 W267 W277 I278	V244-S246 VanDerWaalsContact C-N 3.27Å; V244-S246 VanDerWaalsContact CG2-O 3.3Å; V244-S246 WeakPolarHBondContact CG2-O 3.44Å; V244-S246 PolarHBondContact O-N 3.4Å; V244-V255 HydrophobicContact CB-CG2 4.29Å; V244-V255 HydrophobicContact CG1-CG1 4.12Å; V244-V255 HydrophobicContact CG1-CG2 3.89Å; V244-V255 HydrophobicContact CG2-CG2 3.39Å; V244-L258 HydrophobicContact CG1-CD1 4.02Å; V244-W267 HydrophobicContact CB-CZ2 3.75Å; V244-W267 HydrophobicContact CG1-CD2 4.5Å; V244-W267 HydrophobicContact CG1-CZ2 4.07Å; V244-W267 HydrophobicContact CG2-CZ2 4.37Å; V244-W277 CarbonylContact C-O 3.05Å; V244-W277 WeakPolarHBondContact CA-O 3.26Å; V244-I278 HydrophobicContact CG1-CG1 4.31Å; V244-I278 HydrophobicContact CG1-CG2 4.35Å
245	S	89.1	Confident	75.5	Confident	36 Å²	36	58.6 Å²	58.6	25%	0.252	33%	0.333	S	S	.	.	S	Bend	trans	-59	-39.6	175.7	51.6	0	0	0	0	112.7	H276 W277	S245-H276 WeakPolarHBondContact OG-CA 3.39Å; S245-W277 PolarHBondContact N-O 2.91Å; S245-W277 PolarHBondContact OG-N 3.26Å; S245-W277 VanDerWaalsContact OG-N 3.11Å; S245-W277 PolarHBondContact OG-O 3.15Å
246	S	83.4	Confident	75.8	Confident	27 Å²	27	63.1 Å²	63.1	19%	0.189	36%	0.36	C	S	.	.			trans	-167.7	166.4	-176.6	50.8	0	0	0	0	110.7	V244 W267 D270	V244-S246 VanDerWaalsContact C-N 3.27Å; V244-S246 VanDerWaalsContact CG2-O 3.3Å; V244-S246 WeakPolarHBondContact CG2-O 3.44Å; V244-S246 PolarHBondContact O-N 3.4Å; S246-W267 VanDerWaalsContact O-CZ2 3.25Å; S246-W267 WeakPolarHBondContact O-CZ2 3.47Å; S246-W267 PolarHBondContact O-NE1 3.01Å; S246-D270 WeakPolarHBondContact CB-O 3.32Å; S246-D270 PolarHBondContact OG-N 3.48Å; S246-D270 PolarHBondContact OG-O 3.04Å
247	S	76.9	Confident	76.5	Confident	57 Å²	57	57.5 Å²	57.5	40%	0.399	34%	0.337	S	S	.	.			trans	-150.8	140.1	174.2	56.9	0	0	0	0	109.1	E268	S247-E268 WeakPolarHBondContact CA-O 3.46Å
248	S	73.4	Confident	77.4	Confident	24 Å²	24	51.3 Å²	51.3	17%	0.168	31%	0.308	C	S	.	.			trans	-57.2	152.2	172.1	67.1	0	0	0	0	112.2	D250 E268	S248-D250 PolarHBondContact O-N 2.84Å; S248-E268 PolarHBondContact N-O 2.89Å
249	E	64.1	Low	77.7	Confident	205 Å²	205	52 Å²	52	96%	0.958	31%	0.312	S	S	*	.	S	Bend	trans	-72.6	-3.1	176.8	-67	-166.5	160.6	0	0	113.3
250	D	64.7	Low	77.2	Confident	89 Å²	89	55.1 Å²	55.1	48%	0.476	33%	0.329	S	S	.	.	S	Bend	trans	-76.2	126.2	178.4	-165.1	-22.7	0	0	0	110.7	S248 S252 G253	S248-D250 PolarHBondContact O-N 2.84Å; D250-S252 VanDerWaalsContact CG-OG 3.28Å; D250-S252 PolarHBondContact O-N 3.1Å; D250-S252 PolarHBondContact OD1-N 2.94Å; D250-S252 VanDerWaalsContact OD1-N 3.17Å; D250-S252 PolarHBondContact OD1-OG 2.81Å; D250-S252 PolarHBondContact OD2-OG 3.32Å; D250-G253 PolarHBondContact O-N 3.38Å
251	P	57.8	Low	76.4	Confident	125 Å²	125	53.7 Å²	53.7	81%	0.812	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19	175.4	19.3	-32.1	0	0	0	115
252	S	56.8	Low	75.6	Confident	59 Å²	59	56.2 Å²	56.2	41%	0.413	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.4	173.9	60.4	0	0	0	0	115.2	D250 C257	D250-S252 VanDerWaalsContact CG-OG 3.28Å; D250-S252 PolarHBondContact O-N 3.1Å; D250-S252 PolarHBondContact OD1-N 2.94Å; D250-S252 VanDerWaalsContact OD1-N 3.17Å; D250-S252 PolarHBondContact OD1-OG 2.81Å; D250-S252 PolarHBondContact OD2-OG 3.32Å; S252-C257 PolarHBondContact O-SG 3.03Å
253	G	60.1	Low	74.5	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.01	36%	0.356	C	S	.	.	S	Bend	trans	-106.6	13.1	-175.2	0	0	0	0	0	115.1	D250 Y266 E268	D250-G253 PolarHBondContact O-N 3.38Å; G253-Y266 WeakPolarHBondContact CA-O 3.46Å; G253-E268 PolarHBondContact O-N 3.39Å
254	G	74.3	Confident	73.6	Confident	16 Å²	16	60.8 Å²	60.8	17%	0.165	37%	0.368	C	S	.	.	S	Bend	trans	-77.8	164.2	-169.9	0	0	0	0	0	115.3	T256 C257	G254-T256 PolarHBondContact O-N 3.36Å; G254-C257 WeakPolarHBondContact O-CB 3.44Å; G254-C257 PolarHBondContact O-N 2.97Å
255	V	82.3	Confident	73.1	Confident	42 Å²	42	61.1 Å²	61.1	26%	0.255	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-56.4	-25.2	177.6	-177.2	0	0	0	0	112.9	I242 V244 C257 L258	I242-V255 HydrophobicContact CB-CG1 4.22Å; I242-V255 HydrophobicContact CG2-CG1 3.9Å; V244-V255 HydrophobicContact CB-CG2 4.29Å; V244-V255 HydrophobicContact CG1-CG1 4.12Å; V244-V255 HydrophobicContact CG1-CG2 3.89Å; V244-V255 HydrophobicContact CG2-CG2 3.39Å; V255-C257 PolarHBondContact O-N 3.45Å; V255-L258 HydrophobicContact CG1-CD1 4.3Å; V255-L258 WeakPolarHBondContact O-CB 3.43Å; V255-L258 PolarHBondContact O-N 3.19Å
256	T	78.8	Confident	73.1	Confident	94 Å²	94	62 Å²	62	58%	0.577	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-60.9	-31.5	177	46	0	0	0	0	112.8	G254 L258 T259 D260	G254-T256 PolarHBondContact O-N 3.36Å; T256-L258 PolarHBondContact O-N 3.26Å; T256-T259 PolarHBondContact O-N 3.41Å; T256-T259 PolarHBondContact O-OG1 3.08Å; T256-D260 PolarHBondContact O-N 3.16Å
257	C	83.4	Confident	73.5	Confident	7 Å²	7	60.7 Å²	60.7	5%	0.047	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-67.1	-20	179.4	-57.5	0	0	0	0	112.9	S252 G254 V255 T259 D260 Y266	S252-C257 PolarHBondContact O-SG 3.03Å; G254-C257 WeakPolarHBondContact O-CB 3.44Å; G254-C257 PolarHBondContact O-N 2.97Å; V255-C257 PolarHBondContact O-N 3.45Å; C257-T259 PolarHBondContact O-N 2.64Å; C257-T259 VanDerWaalsContact O-N 3.14Å; C257-D260 WeakPolarHBondContact CA-OD2 3.46Å; C257-Y266 WeakPolarHBondContact CB-O 3.5Å
258	L	84	Confident	74.2	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-66.3	-14.3	172	-66.8	173.1	0	0	0	112.8	I242 V244 V255 T256 W267 I278 I362 L365	I242-L258 HydrophobicContact CG2-CD1 4.36Å; V244-L258 HydrophobicContact CG1-CD1 4.02Å; V255-L258 HydrophobicContact CG1-CD1 4.3Å; V255-L258 WeakPolarHBondContact O-CB 3.43Å; V255-L258 PolarHBondContact O-N 3.19Å; T256-L258 PolarHBondContact O-N 3.26Å; L258-W267 HydrophobicContact CD1-CB 4.25Å; L258-W267 HydrophobicContact CD1-CD2 4.39Å; L258-W267 HydrophobicContact CD1-CG 4.23Å; L258-W267 HydrophobicContact CD2-CB 3.62Å; L258-W267 HydrophobicContact CD2-CD2 4.45Å; L258-W267 HydrophobicContact CD2-CE3 4.25Å; L258-W267 HydrophobicContact CD2-CG 4.26Å; L258-W267 HydrophobicContact CG-CB 3.65Å; L258-W267 HydrophobicContact CG-CG 4.17Å; L258-I278 HydrophobicContact CD1-CD1 4.09Å; L258-I278 HydrophobicContact CD1-CG1 4.43Å; L258-I278 HydrophobicContact CD1-CG2 4.1Å; L258-I278 HydrophobicContact CD2-CD1 4.09Å; L258-I362 HydrophobicContact CD2-CB 3.86Å; L258-I362 HydrophobicContact CD2-CG2 3.66Å; L258-L365 HydrophobicContact CB-CB 4.43Å; L258-L365 PolarHBondContact O-N 2.92Å
259	T	80.1	Confident	75	Confident	22 Å²	22	58.4 Å²	58.4	14%	0.135	34%	0.34	C	S	.	.	S	Bend	trans	-140.6	7.6	-167.4	63.4	0	0	0	0	115.1	V235 K236 I242 T256 C257 G261	V235-T259 HydrophobicContact CB-CG2 3.74Å; V235-T259 HydrophobicContact CG1-CG2 4.11Å; V235-T259 HydrophobicContact CG2-CG2 4.15Å; K236-T259 WeakPolarHBondContact CE-OG1 3.49Å; I242-T259 HydrophobicContact CD1-CG2 3.43Å; I242-T259 VanDerWaalsContact CD1-CG2 3.43Å; T256-T259 PolarHBondContact O-N 3.41Å; T256-T259 PolarHBondContact O-OG1 3.08Å; C257-T259 PolarHBondContact O-N 2.64Å; C257-T259 VanDerWaalsContact O-N 3.14Å; T259-G261 VanDerWaalsContact C-N 3.34Å
260	D	71.4	Confident	76	Confident	74 Å²	74	53.6 Å²	53.6	40%	0.396	32%	0.321	S	S	.	.	S	Bend	trans	-79.6	-18.9	179.3	59.5	7.1	0	0	0	112.7	T256 C257 D262 T265	T256-D260 PolarHBondContact O-N 3.16Å; C257-D260 WeakPolarHBondContact CA-OD2 3.46Å; D260-D262 VanDerWaalsContact C-N 3.26Å; D260-D262 PolarHBondContact OD1-N 3.12Å; D260-T265 VanDerWaalsContact CG-OG1 3.3Å; D260-T265 PolarHBondContact OD1-OG1 3.49Å; D260-T265 WeakPolarHBondContact OD2-CB 3.28Å; D260-T265 PolarHBondContact OD2-OG1 2.92Å
261	G	64.8	Low	76.8	Confident	73 Å²	73	50.9 Å²	50.9	75%	0.753	31%	0.314	S	S	*	.			trans	78.5	10.5	179.9	0	0	0	0	0	113.5	T259	T259-G261 VanDerWaalsContact C-N 3.34Å
262	D	68.5	Low	77.9	Confident	76 Å²	76	51.1 Å²	51.1	41%	0.406	31%	0.306	S	S	.	.			trans	-93.7	126.4	174.6	-167.9	-14.3	0	0	0	109.2	D260 E264 T265	D260-D262 VanDerWaalsContact C-N 3.26Å; D260-D262 PolarHBondContact OD1-N 3.12Å; D262-E264 VanDerWaalsContact C-N 3.26Å; D262-E264 WeakPolarHBondContact OD1-CB 3.31Å; D262-E264 PolarHBondContact OD1-N 2.89Å; D262-T265 HydrophobicContact CB-CG2 4.02Å; D262-T265 PolarHBondContact O-OG1 3.32Å
263	T	67.6	Low	78.9	Confident	80 Å²	80	52 Å²	52	49%	0.491	30%	0.303	S	S	.	.	S	Bend	trans	-81.6	-9.6	179.3	52.9	0	0	0	0	112.9	R363	T263-R363 WeakPolarHBondContact O-CD 3.48Å; T263-R363 PolarHBondContact O-NH1 3.02Å
264	E	73.1	Confident	79.7	Confident	142 Å²	142	53.5 Å²	53.5	66%	0.664	32%	0.319	S	S	*	.	S	Bend	trans	-89.6	-15.9	178.8	-56.7	-59.6	134.1	0	0	112.4	D262	D262-E264 VanDerWaalsContact C-N 3.26Å; D262-E264 WeakPolarHBondContact OD1-CB 3.31Å; D262-E264 PolarHBondContact OD1-N 2.89Å
265	T	81.6	Confident	80.2	Confident	34 Å²	34	58.4 Å²	58.4	21%	0.209	34%	0.338	C	S	.	.			trans	-93.3	162.5	174.5	66.4	0	0	0	0	111	D260 D262 R363	D260-T265 VanDerWaalsContact CG-OG1 3.3Å; D260-T265 PolarHBondContact OD1-OG1 3.49Å; D260-T265 WeakPolarHBondContact OD2-CB 3.28Å; D260-T265 PolarHBondContact OD2-OG1 2.92Å; D262-T265 HydrophobicContact CB-CG2 4.02Å; D262-T265 PolarHBondContact O-OG1 3.32Å; T265-R363 WeakPolarHBondContact O-CA 3.11Å
266	Y	88.4	Confident	80.7	Confident	54 Å²	54	56.6 Å²	56.6	21%	0.212	33%	0.327	C	S	.	.			trans	-152.8	148.9	179.3	54	-94.6	0	0	0	112.1	G253 C257 E268 R361 I362	G253-Y266 WeakPolarHBondContact CA-O 3.46Å; C257-Y266 WeakPolarHBondContact CB-O 3.5Å; Y266-E268 HydrophobicContact CD2-CB 4Å; Y266-E268 HydrophobicContact CE2-CB 4.02Å; Y266-E268 WeakPolarHBondContact CE2-OE2 3.37Å; Y266-R361 HydrophobicContact CD2-CB 4.44Å; Y266-R361 HydrophobicContact CD2-CG 3.76Å; Y266-R361 HydrophobicContact CE2-CG 4.15Å; Y266-R361 HydrophobicContact CG-CG 4.29Å; Y266-I362 WeakPolarHBondContact CA-O 3.16Å
267	W	91.3	Very high	81.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.7	159	166.9	66.9	0	0	0	108.7	V244 S246 L258 I278 I350 V360 R361 I362	V244-W267 HydrophobicContact CB-CZ2 3.75Å; V244-W267 HydrophobicContact CG1-CD2 4.5Å; V244-W267 HydrophobicContact CG1-CZ2 4.07Å; V244-W267 HydrophobicContact CG2-CZ2 4.37Å; S246-W267 VanDerWaalsContact O-CZ2 3.25Å; S246-W267 WeakPolarHBondContact O-CZ2 3.47Å; S246-W267 PolarHBondContact O-NE1 3.01Å; L258-W267 HydrophobicContact CD1-CB 4.25Å; L258-W267 HydrophobicContact CD1-CD2 4.39Å; L258-W267 HydrophobicContact CD1-CG 4.23Å; L258-W267 HydrophobicContact CD2-CB 3.62Å; L258-W267 HydrophobicContact CD2-CD2 4.45Å; L258-W267 HydrophobicContact CD2-CE3 4.25Å; L258-W267 HydrophobicContact CD2-CG 4.26Å; L258-W267 HydrophobicContact CG-CB 3.65Å; L258-W267 HydrophobicContact CG-CG 4.17Å; W267-I278 HydrophobicContact CE3-CD1 3.87Å; W267-I278 HydrophobicContact CE3-CG1 4.17Å; W267-I278 HydrophobicContact CH2-CD1 4.41Å; W267-I278 HydrophobicContact CH2-CG1 3.9Å; W267-I278 HydrophobicContact CZ3-CD1 3.66Å; W267-I278 HydrophobicContact CZ3-CG1 3.66Å; W267-I350 HydrophobicContact CZ3-CD1 4.42Å; W267-V360 HydrophobicContact CH2-CG1 4.12Å; W267-V360 HydrophobicContact CZ3-CG1 3.8Å; W267-R361 VanDerWaalsContact O-CA 3.3Å; W267-R361 WeakPolarHBondContact O-CA 3.45Å; W267-I362 HydrophobicContact CE3-CB 4Å; W267-I362 HydrophobicContact CE3-CG1 3.83Å; W267-I362 HydrophobicContact CZ3-CG1 3.95Å; W267-I362 PolarHBondContact N-O 3.21Å; W267-I362 PolarHBondContact O-N 2.85Å
268	E	91.6	Very high	81.9	Confident	31 Å²	31	55.2 Å²	55.2	15%	0.145	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.1	174.1	-173.3	173.1	116.8	0	0	109.3	S247 S248 G253 Y266 Y302 V360 R361	S247-E268 WeakPolarHBondContact CA-O 3.46Å; S248-E268 PolarHBondContact N-O 2.89Å; G253-E268 PolarHBondContact O-N 3.39Å; Y266-E268 HydrophobicContact CD2-CB 4Å; Y266-E268 HydrophobicContact CE2-CB 4.02Å; Y266-E268 WeakPolarHBondContact CE2-OE2 3.37Å; E268-Y302 HydrophobicContact CG-CD1 4.45Å; E268-Y302 HydrophobicContact CG-CE1 4.41Å; E268-V360 WeakPolarHBondContact CA-O 3.13Å; E268-R361 HydrophobicContact CB-CG 4.25Å; E268-R361 HydrophobicContact CG-CG 4.16Å; E268-R361 IonicContact OE2-CZ 2.79Å; E268-R361 IonicContact OE2-NE 3.18Å; E268-R361 PolarHBondContact OE2-NE 2.92Å; E268-R361 IonicContact OE2-NH2 2.57Å; E268-R361 PolarHBondContact OE2-NH2 3.42Å
269	S	90.9	Very high	82.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	32%	0.319	C	S	.	.			trans	-74.7	160.8	172.9	72.5	0	0	0	0	111.5	H276 D359 V360	S269-H276 WeakPolarHBondContact CB-ND1 3.47Å; S269-H276 PolarHBondContact OG-CE1 3.49Å; S269-H276 VanDerWaalsContact OG-CE1 3.28Å; S269-H276 PolarHBondContact OG-ND1 3.21Å; S269-H276 PolarHBondContact OG-NE2 3.12Å; S269-D359 WeakPolarHBondContact O-CB 3.3Å; S269-D359 WeakPolarHBondContact OG-CA 3.45Å; S269-V360 PolarHBondContact N-O 3.12Å; S269-V360 WeakPolarHBondContact OG-CG1 3.24Å; S269-V360 PolarHBondContact OG-N 3.25Å
270	D	84.9	Confident	83.1	Confident	104 Å²	104	56.7 Å²	56.7	56%	0.556	31%	0.313	S	S	*	.			trans	-135.9	112.9	169.8	178.4	10	0	0	0	109.1	S246 D359	S246-D270 WeakPolarHBondContact CB-O 3.32Å; S246-D270 PolarHBondContact OG-N 3.48Å; S246-D270 PolarHBondContact OG-O 3.04Å; D270-D359 WeakPolarHBondContact CA-OD1 3.45Å
271	G	81.6	Confident	84	Confident	33 Å²	33	55.6 Å²	55.6	34%	0.34	31%	0.307	S	S	.	.	S	Bend	trans	169.5	-158.3	-178.8	0	0	0	0	0	115.7	I358 D359	G271-I358 WeakPolarHBondContact O-CG2 3.38Å; G271-D359 PolarHBondContact N-OD1 3.35Å; G271-D359 VanDerWaalsContact N-OD1 3.12Å
272	M	81.1	Confident	84.9	Confident	129 Å²	129	52.6 Å²	52.6	64%	0.635	27%	0.274	S	S	*	.	S	Bend	trans	-89.6	144.9	177.5	-63.7	-173.5	72.2	0	0	111.1	G274 Q275	M272-G274 PolarHBondContact O-N 2.58Å; M272-Q275 HydrophobicContact CB-CG 4.23Å; M272-Q275 WeakPolarHBondContact O-CB 3.47Å; M272-Q275 PolarHBondContact O-N 3.49Å; M272-Q275 VanDerWaalsContact O-N 3.08Å
273	Q	76.9	Confident	85.2	Confident	77 Å²	77	52.9 Å²	52.9	36%	0.36	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	133.4	177	-170.3	-175.7	14.1	0	0	111.7	Q275 E356 G357	Q273-Q275 VanDerWaalsContact C-N 3.27Å; Q273-Q275 PolarHBondContact O-N 2.77Å; Q273-E356 PolarHBondContact NE2-OE2 3.12Å; Q273-G357 WeakPolarHBondContact CG-O 3.44Å
274	G	76.3	Confident	85.3	Confident	34 Å²	34	60.1 Å²	60.1	35%	0.351	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	6.4	179	0	0	0	0	0	115.3	M272 E351	M272-G274 PolarHBondContact O-N 2.58Å; G274-E351 WeakPolarHBondContact CA-O 3.33Å
275	Q	85.1	Confident	84.6	Confident	119 Å²	119	53.8 Å²	53.8	56%	0.556	26%	0.263	S	S	*	.			trans	-105.2	10.6	177.3	-58.5	-172.2	10.6	0	0	113.5	M272 Q273	M272-Q275 HydrophobicContact CB-CG 4.23Å; M272-Q275 WeakPolarHBondContact O-CB 3.47Å; M272-Q275 PolarHBondContact O-N 3.49Å; M272-Q275 VanDerWaalsContact O-N 3.08Å; Q273-Q275 VanDerWaalsContact C-N 3.27Å; Q273-Q275 PolarHBondContact O-N 2.77Å
276	H	92.5	Very high	84.1	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.019	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.9	-175.1	-53.8	-52.2	0	0	0	111.6	S245 S269 I350 I358 D359 V360	S245-H276 WeakPolarHBondContact OG-CA 3.39Å; S269-H276 WeakPolarHBondContact CB-ND1 3.47Å; S269-H276 PolarHBondContact OG-CE1 3.49Å; S269-H276 VanDerWaalsContact OG-CE1 3.28Å; S269-H276 PolarHBondContact OG-ND1 3.21Å; S269-H276 PolarHBondContact OG-NE2 3.12Å; H276-I350 HydrophobicContact CB-CB 4.22Å; H276-I350 HydrophobicContact CB-CD1 4.26Å; H276-I350 PolarHBondContact O-N 2.98Å; H276-I358 PolarHBondContact CD2-O 3.29Å; H276-I358 PolarHBondContact NE2-O 3.11Å; H276-D359 IonicContact CE1-OD1 3.81Å; H276-V360 HydrophobicContact CB-CG1 3.97Å
277	W	94	Very high	83.4	Confident	72 Å²	72	50.6 Å²	50.6	27%	0.273	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	150.8	179.2	56.7	-95.8	0	0	0	112.8	E243 V244 S245 R279 E347 V348 R349	E243-W277 HydrophobicContact CB-CH2 4.39Å; E243-W277 HydrophobicContact CB-CZ3 3.98Å; V244-W277 CarbonylContact C-O 3.05Å; V244-W277 WeakPolarHBondContact CA-O 3.26Å; S245-W277 PolarHBondContact N-O 2.91Å; S245-W277 PolarHBondContact OG-N 3.26Å; S245-W277 VanDerWaalsContact OG-N 3.11Å; S245-W277 PolarHBondContact OG-O 3.15Å; W277-R279 HydrophobicContact CE3-CB 3.66Å; W277-R279 HydrophobicContact CZ3-CB 3.5Å; W277-E347 HydrophobicContact CB-CG 4.12Å; W277-V348 CarbonylContact C-O 3.55Å; W277-V348 WeakPolarHBondContact CA-O 3.3Å; W277-V348 WeakPolarHBondContact CB-O 3.35Å; W277-R349 HydrophobicContact CB-CG 4.17Å
278	I	95.1	Very high	82.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.8	172.1	-54.5	169.6	0	0	0	106.9	I242 E243 V244 L258 W267 L280 E347 V348 I362 L365	I242-I278 HydrophobicContact CG2-CG2 3.97Å; E243-I278 CarbonylContact O-C 3.52Å; V244-I278 HydrophobicContact CG1-CG1 4.31Å; V244-I278 HydrophobicContact CG1-CG2 4.35Å; L258-I278 HydrophobicContact CD1-CD1 4.09Å; L258-I278 HydrophobicContact CD1-CG1 4.43Å; L258-I278 HydrophobicContact CD1-CG2 4.1Å; L258-I278 HydrophobicContact CD2-CD1 4.09Å; W267-I278 HydrophobicContact CE3-CD1 3.87Å; W267-I278 HydrophobicContact CE3-CG1 4.17Å; W267-I278 HydrophobicContact CH2-CD1 4.41Å; W267-I278 HydrophobicContact CH2-CG1 3.9Å; W267-I278 HydrophobicContact CZ3-CD1 3.66Å; W267-I278 HydrophobicContact CZ3-CG1 3.66Å; I278-L280 HydrophobicContact CG2-CD2 4.24Å; I278-E347 WeakPolarHBondContact O-CA 3.44Å; I278-V348 HydrophobicContact CB-CB 4.37Å; I278-V348 PolarHBondContact N-O 3.18Å; I278-V348 PolarHBondContact O-N 3.46Å; I278-I362 HydrophobicContact CD1-CG1 4.29Å; I278-L365 HydrophobicContact CG2-CD1 4.16Å
279	R	94.3	Very high	81.8	Confident	53 Å²	53	50.1 Å²	50.1	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.8	-179.6	-176.9	-177.7	-73.5	-169.8	-6.1	110.2	I242 E243 W277 V345 E347	I242-R279 WeakPolarHBondContact CA-O 3.22Å; E243-R279 HydrophobicContact CB-CB 4.23Å; E243-R279 PolarHBondContact N-O 3.41Å; E243-R279 PolarHBondContact O-N 3.02Å; W277-R279 HydrophobicContact CE3-CB 3.66Å; W277-R279 HydrophobicContact CZ3-CB 3.5Å; R279-V345 HydrophobicContact CG-CG1 3.74Å; R279-E347 HydrophobicContact CB-CG 4.46Å; R279-E347 IonicContact CZ-OE2 2.76Å; R279-E347 IonicContact NE-OE2 3.12Å; R279-E347 PolarHBondContact NE-OE2 2.99Å; R279-E347 IonicContact NH2-OE2 3.38Å; R279-E347 PolarHBondContact NH2-OE2 3.13Å
280	L	93.9	Very high	81.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.6	-178.9	-54.3	172.4	0	0	0	108.5	V235 V239 I242 I278 M282 L291 I346 L365 I367	V235-L280 HydrophobicContact CG1-CD2 4.41Å; V239-L280 HydrophobicContact CG1-CB 4.15Å; V239-L280 HydrophobicContact CG1-CD2 4.41Å; I242-L280 HydrophobicContact CD1-CD2 4.49Å; I242-L280 HydrophobicContact CG1-CD2 4.08Å; I242-L280 HydrophobicContact CG2-CD2 4.21Å; I278-L280 HydrophobicContact CG2-CD2 4.24Å; L280-M282 HydrophobicContact CB-SD 3.89Å; L280-L291 HydrophobicContact CD1-CD1 3.75Å; L280-L291 HydrophobicContact CD1-CD2 4.08Å; L280-I346 HydrophobicContact CB-CB 4.4Å; L280-I346 HydrophobicContact CD1-CG2 4.46Å; L280-I346 PolarHBondContact N-O 2.78Å; L280-I346 PolarHBondContact O-N 2.86Å; L280-I346 VanDerWaalsContact O-N 3.08Å; L280-L365 HydrophobicContact CD1-CD1 4.43Å; L280-L365 HydrophobicContact CD1-CD2 4.18Å; L280-L365 HydrophobicContact CD2-CD1 4.21Å; L280-L365 HydrophobicContact CD2-CD2 4.16Å; L280-I367 HydrophobicContact CD1-CD1 4Å
281	L	90.3	Very high	81.6	Confident	51 Å²	51	48.2 Å²	48.2	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.5	172.6	-61.2	176	0	0	0	107.9	V239 T240 G241 V345	V239-L281 CarbonylContact C-O 3.57Å; V239-L281 WeakPolarHBondContact CA-O 3.16Å; V239-L281 VanDerWaalsContact CB-O 3.26Å; V239-L281 WeakPolarHBondContact CB-O 3.5Å; T240-L281 PolarHBondContact N-O 3.32Å; T240-L281 WeakPolarHBondContact OG1-CB 3.47Å; T240-L281 PolarHBondContact OG1-O 2.86Å; G241-L281 PolarHBondContact O-N 3.02Å; L281-V345 HydrophobicContact CD2-CG2 4.21Å
282	M	85.1	Confident	82	Confident	11 Å²	11	47.4 Å²	47.4	5%	0.054	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.3	-169.8	-57.1	-58.5	-62.6	0	0	111.1	C238 V239 L280 R284 T286 V288 L343 P344 I346 I367	C238-M282 HydrophobicContact CB-CE 4.42Å; V239-M282 HydrophobicContact CG1-SD 3.89Å; L280-M282 HydrophobicContact CB-SD 3.89Å; M282-R284 PolarHBondContact O-N 2.87Å; M282-T286 HydrophobicContact CE-CG2 3.69Å; M282-V288 HydrophobicContact CE-CG2 3.47Å; M282-V288 VanDerWaalsContact CE-CG2 3.47Å; M282-L343 VanDerWaalsContact CB-O 3.27Å; M282-L343 WeakPolarHBondContact CB-O 3.44Å; M282-L343 WeakPolarHBondContact CG-O 3.43Å; M282-P344 PolarHBondContact N-O 2.92Å; M282-I346 HydrophobicContact CE-CD1 4.4Å; M282-I346 HydrophobicContact CG-CD1 4.1Å; M282-I346 HydrophobicContact CG-CG1 4.15Å; M282-I346 HydrophobicContact SD-CD1 4.03Å; M282-I346 HydrophobicContact SD-CG1 4.45Å; M282-I367 HydrophobicContact CE-CD1 4.29Å; M282-I367 HydrophobicContact SD-CD1 4.46Å
283	K	74.6	Confident	82.5	Confident	81 Å²	81	41.2 Å²	41.2	35%	0.352	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-64	137.9	168.7	-74.4	-177.6	-167.9	164	0	109.2	K236 Q237 C238 V239 T240 G285 T286 H342	K236-K283 PolarHBondContact O-NZ 3.03Å; Q237-K283 VanDerWaalsContact O-CD 3.3Å; Q237-K283 WeakPolarHBondContact O-CD 3.25Å; Q237-K283 WeakPolarHBondContact O-CE 3.37Å; Q237-K283 PolarHBondContact O-NZ 3.24Å; C238-K283 WeakPolarHBondContact O-CB 3.23Å; C238-K283 PolarHBondContact O-N 3.05Å; V239-K283 VanDerWaalsContact O-CE 3.24Å; V239-K283 WeakPolarHBondContact O-CE 3.43Å; T240-K283 HydrophobicContact CG2-CB 4.47Å; T240-K283 HydrophobicContact CG2-CG 3.63Å; K283-G285 PolarHBondContact O-N 3.07Å; K283-T286 WeakPolarHBondContact O-CB 3.41Å; K283-T286 PolarHBondContact O-N 3.36Å; K283-T286 VanDerWaalsContact O-N 3.09Å; K283-T286 PolarHBondContact O-OG1 3.39Å; K283-H342 PolarHBondContact O-NE2 3.11Å
284	R	69.7	Low	83.1	Confident	232 Å²	232	38.1 Å²	38.1	88%	0.875	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	129	-179.9	-172.8	177.9	-178.6	174	1.5	110.9	M282	M282-R284 PolarHBondContact O-N 2.87Å
285	G	58.2	Low	83.8	Confident	10 Å²	10	36.5 Å²	36.5	10%	0.103	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	-17.7	178	0	0	0	0	0	114.9	E142 K283 V287 H342	E142-G285 WeakPolarHBondContact OE1-CA 3.33Å; K283-G285 PolarHBondContact O-N 3.07Å; G285-V287 PolarHBondContact O-N 2.92Å; G285-H342 PolarHBondContact N-CD2 3.47Å
286	T	70.7	Confident	83.8	Confident	10 Å²	10	31.8 Å²	31.8	6%	0.061	14%	0.139	C	C	.	.			trans	-66.7	115.2	-177.1	-51.3	0	0	0	0	111.8	C238 M282 K283 H342	C238-T286 HydrophobicContact CB-CG2 4.07Å; M282-T286 HydrophobicContact CE-CG2 3.69Å; K283-T286 WeakPolarHBondContact O-CB 3.41Å; K283-T286 PolarHBondContact O-N 3.36Å; K283-T286 VanDerWaalsContact O-N 3.09Å; K283-T286 PolarHBondContact O-OG1 3.39Å; T286-H342 PolarHBondContact N-CD2 3.25Å; T286-H342 PolarHBondContact O-CD2 3.45Å
287	V	74	Confident	83.4	Confident	10 Å²	10	32.7 Å²	32.7	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.3	171.1	-174.1	0	0	0	0	108.8	G285 N289 M339 H342 S369 S370	G285-V287 PolarHBondContact O-N 2.92Å; V287-N289 PolarHBondContact O-N 3.13Å; V287-M339 HydrophobicContact CG1-CB 4.22Å; V287-M339 WeakPolarHBondContact CG1-O 3.41Å; V287-H342 HydrophobicContact CG2-CB 4.42Å; V287-S369 CarbonylContact O-C 3.52Å; V287-S369 WeakPolarHBondContact O-CA 3.17Å; V287-S369 WeakPolarHBondContact O-CB 3.46Å; V287-S370 PolarHBondContact N-O 3.25Å; V287-S370 PolarHBondContact O-N 3.37Å
288	V	78.3	Confident	83	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	106.1	-179	177.7	0	0	0	0	110.1	M282 L291 L336 M339 I346 I367	M282-V288 HydrophobicContact CE-CG2 3.47Å; M282-V288 VanDerWaalsContact CE-CG2 3.47Å; V288-L291 HydrophobicContact CG1-CB 4.1Å; V288-L336 HydrophobicContact CG1-CD2 4.34Å; V288-M339 HydrophobicContact CB-CG 4.28Å; V288-M339 WeakPolarHBondContact O-CB 3.06Å; V288-M339 VanDerWaalsContact O-CG 3.28Å; V288-M339 WeakPolarHBondContact O-CG 3.42Å; V288-M339 PolarHBondContact O-N 3.46Å; V288-I346 HydrophobicContact CB-CD1 4.23Å; V288-I346 HydrophobicContact CG2-CD1 3.47Å; V288-I346 VanDerWaalsContact CG2-CD1 3.47Å; V288-I367 HydrophobicContact CG1-CG2 4.43Å; V288-I367 HydrophobicContact CG2-CG2 4.28Å
289	N	71	Confident	82.6	Confident	16 Å²	16	34.2 Å²	34.2	9%	0.086	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-39.9	172.8	-64.1	-0.9	0	0	0	110.3	V287 E337 D338 K368 S370 D374	V287-N289 PolarHBondContact O-N 3.13Å; N289-E337 CarbonylContact O-C 3.6Å; N289-E337 WeakPolarHBondContact O-CA 3.13Å; N289-D338 PolarHBondContact O-N 3.46Å; N289-K368 WeakPolarHBondContact CA-O 3.41Å; N289-K368 HydrophobicContact CB-CB 4.44Å; N289-K368 HydrophobicContact CB-CG 4.24Å; N289-K368 PolarHBondContact N-O 3.25Å; N289-S370 PolarHBondContact OD1-OG 3.04Å; N289-D374 VanDerWaalsContact ND2-CB 3.25Å; N289-D374 WeakPolarHBondContact ND2-CB 3.4Å
290	K	82.3	Confident	82.3	Confident	64 Å²	64	35.8 Å²	35.8	28%	0.278	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.9	172.4	-62.1	-166.1	173.2	-151.7	0	111.8	I292 L336 E337 I367 K368	K290-I292 HydrophobicContact CB-CD1 4.35Å; K290-I292 HydrophobicContact CB-CG1 4.3Å; K290-L336 CarbonylContact C-O 3.59Å; K290-L336 VanDerWaalsContact CA-O 3.32Å; K290-L336 WeakPolarHBondContact CA-O 3.47Å; K290-E337 HydrophobicContact CG-CB 4.21Å; K290-E337 IonicContact NZ-OE2 3.69Å; K290-I367 CarbonylContact O-C 3.49Å; K290-I367 WeakPolarHBondContact O-CA 3.18Å; K290-K368 HydrophobicContact CB-CB 3.96Å; K290-K368 PolarHBondContact N-O 3.49Å; K290-K368 PolarHBondContact O-N 3.49Å
291	L	89.1	Confident	82.1	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.3	164	-179.4	60.1	0	0	0	107.7	L280 V288 V309 C334 V335 L336 I346 V348 L365 I367	L280-L291 HydrophobicContact CD1-CD1 3.75Å; L280-L291 HydrophobicContact CD1-CD2 4.08Å; V288-L291 HydrophobicContact CG1-CB 4.1Å; L291-V309 HydrophobicContact CD2-CG1 4.37Å; L291-C334 CarbonylContact O-C 3.58Å; L291-C334 WeakPolarHBondContact O-CA 3.34Å; L291-C334 PolarHBondContact O-SG 3.33Å; L291-V335 HydrophobicContact CB-CG2 4.14Å; L291-V335 HydrophobicContact CD2-CG2 3.92Å; L291-V335 HydrophobicContact CG-CG2 3.7Å; L291-V335 WeakPolarHBondContact O-CG2 3.17Å; L291-V335 PolarHBondContact O-N 3.07Å; L291-L336 HydrophobicContact CB-CB 3.8Å; L291-L336 HydrophobicContact CD2-CB 4.36Å; L291-L336 PolarHBondContact N-O 3.44Å; L291-L336 PolarHBondContact O-N 3.05Å; L291-I346 HydrophobicContact CD2-CG2 4Å; L291-V348 HydrophobicContact CD2-CG2 3.61Å; L291-L365 HydrophobicContact CD1-CD1 4.32Å; L291-L365 HydrophobicContact CD1-CD2 3.62Å; L291-L365 HydrophobicContact CD1-CG 3.99Å; L291-I367 HydrophobicContact CD1-CD1 4.31Å; L291-I367 HydrophobicContact CD1-CG1 3.65Å
292	I	89.4	Confident	82.1	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.082	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.6	-172.7	-61.3	169.7	0	0	0	108.6	K290 E332 V333 C334 L365 K366	K290-I292 HydrophobicContact CB-CD1 4.35Å; K290-I292 HydrophobicContact CB-CG1 4.3Å; I292-E332 HydrophobicContact CG2-CB 3.56Å; I292-E332 HydrophobicContact CG2-CG 3.78Å; I292-V333 CarbonylContact C-O 3.55Å; I292-V333 VanDerWaalsContact CA-O 3.28Å; I292-V333 WeakPolarHBondContact CA-O 3.31Å; I292-C334 HydrophobicContact CG1-CB 4.22Å; I292-L365 CarbonylContact O-C 3.08Å; I292-L365 WeakPolarHBondContact O-CA 3.3Å; I292-K366 HydrophobicContact CB-CB 4.23Å; I292-K366 PolarHBondContact N-O 2.85Å; I292-K366 PolarHBondContact O-N 3.33Å
293	L	92.2	Very high	82.4	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	140.6	169.6	-57.5	179.2	0	0	0	109.5	V295 V307 E332 V333 V335 V348 I362 G364 L365	L293-V295 HydrophobicContact CB-CG1 4.43Å; L293-V307 HydrophobicContact CD1-CG1 4.13Å; L293-V307 HydrophobicContact CD1-CG2 4.39Å; L293-E332 CarbonylContact O-C 3.54Å; L293-E332 WeakPolarHBondContact O-CA 3.3Å; L293-V333 HydrophobicContact CB-CG1 3.92Å; L293-V333 PolarHBondContact N-O 3.17Å; L293-V333 WeakPolarHBondContact O-CG1 3.38Å; L293-V333 PolarHBondContact O-N 3.21Å; L293-V335 HydrophobicContact CD1-CG1 3.72Å; L293-V335 HydrophobicContact CD1-CG2 4.34Å; L293-V335 HydrophobicContact CG-CG1 3.9Å; L293-V335 HydrophobicContact CG-CG2 4.01Å; L293-V348 HydrophobicContact CD1-CG1 4.02Å; L293-I362 HydrophobicContact CD1-CD1 4.46Å; L293-I362 HydrophobicContact CD2-CG2 4.32Å; L293-G364 WeakPolarHBondContact CA-O 3.4Å; L293-L365 HydrophobicContact CD2-CD1 3.76Å; L293-L365 HydrophobicContact CD2-CG 4.08Å
294	T	88.9	Confident	83.3	Confident	12 Å²	12	35.1 Å²	35.1	7%	0.074	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.2	168.5	-50.5	0	0	0	0	108.8	G331 R363 G364	T294-G331 WeakPolarHBondContact CA-O 3.42Å; T294-R363 HydrophobicContact CG2-CB 3.98Å; T294-R363 PolarHBondContact O-N 2.64Å; T294-G364 PolarHBondContact N-O 2.77Å
295	V	90.6	Very high	84.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.9	-175.3	-63.9	0	0	0	0	109.6	L293 M303 P304 I325 L329 G331 V333 I362	L293-V295 HydrophobicContact CB-CG1 4.43Å; V295-M303 HydrophobicContact CB-CE 3.58Å; V295-M303 HydrophobicContact CB-SD 3.71Å; V295-M303 HydrophobicContact CG2-CE 3.43Å; V295-M303 VanDerWaalsContact CG2-CE 3.43Å; V295-M303 HydrophobicContact CG2-SD 4.27Å; V295-P304 HydrophobicContact CB-CG 4.39Å; V295-P304 HydrophobicContact CG1-CG 3.55Å; V295-I325 HydrophobicContact CG2-CG2 4.26Å; V295-L329 HydrophobicContact CG2-CD2 3.79Å; V295-L329 HydrophobicContact CG2-CG 4.19Å; V295-G331 WeakPolarHBondContact CG2-O 3.32Å; V295-G331 PolarHBondContact N-O 2.71Å; V295-G331 PolarHBondContact O-N 2.92Å; V295-V333 HydrophobicContact CG1-CG1 4.32Å; V295-V333 HydrophobicContact CG2-CG1 4.17Å; V295-I362 HydrophobicContact CG1-CD1 4.24Å
296	D	85.3	Confident	86.1	Confident	19 Å²	19	30.5 Å²	30.5	10%	0.102	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	121.8	-179.2	-167.2	-39.5	0	0	0	110.7	T298 D299 M303 I330 R363	D296-T298 PolarHBondContact O-N 2.7Å; D296-T298 VanDerWaalsContact O-N 3.11Å; D296-T298 VanDerWaalsContact OD1-CB 3.26Å; D296-T298 WeakPolarHBondContact OD1-CB 3.26Å; D296-T298 VanDerWaalsContact OD1-CG2 3.31Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.39Å; D296-T298 PolarHBondContact OD1-N 2.96Å; D296-T298 PolarHBondContact OD1-OG1 2.9Å; D296-D299 VanDerWaalsContact O-CB 3.26Å; D296-D299 WeakPolarHBondContact O-CB 3.4Å; D296-D299 PolarHBondContact O-N 3.35Å; D296-M303 VanDerWaalsContact C-SD 3.54Å; D296-M303 VanDerWaalsContact O-SD 3.35Å; D296-I330 HydrophobicContact CB-CG2 4.47Å; D296-R363 IonicContact OD2-CZ 3.71Å; D296-R363 IonicContact OD2-NE 3.31Å
297	S	85.2	Confident	87.3	Confident	23 Å²	23	30 Å²	30	16%	0.161	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-63.6	-14.8	179.4	61.6	0	0	0	0	114	D299 D300 D327 N328 L329 I330	S297-D299 PolarHBondContact O-N 2.85Å; S297-D300 PolarHBondContact O-N 3.43Å; S297-D327 VanDerWaalsContact CB-O 3.25Å; S297-D327 WeakPolarHBondContact CB-O 3.37Å; S297-N328 PolarHBondContact OG-O 3Å; S297-L329 PolarHBondContact N-O 2.67Å; S297-I330 WeakPolarHBondContact OG-CG1 3.43Å
298	T	85.1	Confident	88.3	Confident	97 Å²	97	29.7 Å²	29.7	60%	0.595	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-72.5	-12	170.8	66.5	0	0	0	0	113.4	D296 D300 I330	D296-T298 PolarHBondContact O-N 2.7Å; D296-T298 VanDerWaalsContact O-N 3.11Å; D296-T298 VanDerWaalsContact OD1-CB 3.26Å; D296-T298 WeakPolarHBondContact OD1-CB 3.26Å; D296-T298 VanDerWaalsContact OD1-CG2 3.31Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.39Å; D296-T298 PolarHBondContact OD1-N 2.96Å; D296-T298 PolarHBondContact OD1-OG1 2.9Å; T298-D300 PolarHBondContact O-N 2.87Å; T298-I330 HydrophobicContact CG2-CD1 4.21Å
299	D	86.4	Confident	89.2	Confident	7 Å²	7	29.4 Å²	29.4	4%	0.037	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-74.4	-1.5	172	-66.6	-38.9	0	0	0	113	D296 S297 N301 Y302 R361 R363	D296-D299 VanDerWaalsContact O-CB 3.26Å; D296-D299 WeakPolarHBondContact O-CB 3.4Å; D296-D299 PolarHBondContact O-N 3.35Å; S297-D299 PolarHBondContact O-N 2.85Å; D299-N301 PolarHBondContact O-N 2.61Å; D299-Y302 WeakPolarHBondContact O-CB 3.42Å; D299-Y302 PolarHBondContact O-N 3.28Å; D299-R361 HydrophobicContact CB-CB 4.33Å; D299-R361 IonicContact OD1-NH1 2.75Å; D299-R363 IonicContact OD1-CZ 2.79Å; D299-R363 IonicContact OD1-NE 3.7Å; D299-R363 IonicContact OD1-NH2 3.84Å; D299-R363 PolarHBondContact OD1-NH2 2.91Å; D299-R363 IonicContact OD2-CZ 2.71Å; D299-R363 IonicContact OD2-NE 3.21Å; D299-R363 PolarHBondContact OD2-NE 3.33Å; D299-R363 IonicContact OD2-NH2 3.36Å; D299-R363 PolarHBondContact OD2-NH2 3.17Å
300	D	89	Confident	90.4	Very high	87 Å²	87	30.8 Å²	30.8	47%	0.465	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	52.9	-117.3	171.9	-162.5	17.3	0	0	0	113.1	S297 T298 Y302 M303	S297-D300 PolarHBondContact O-N 3.43Å; T298-D300 PolarHBondContact O-N 2.87Å; D300-Y302 PolarHBondContact O-N 3.22Å; D300-M303 WeakPolarHBondContact O-CB 3.5Å; D300-M303 PolarHBondContact O-N 3.27Å
301	N	90.1	Very high	90.8	Very high	64 Å²	64	27.9 Å²	27.9	34%	0.342	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-70.8	-14	179.6	67.6	-27.5	0	0	0	113.6	D299 M303 G357	D299-N301 PolarHBondContact O-N 2.61Å; N301-M303 VanDerWaalsContact C-N 3.26Å; N301-G357 WeakPolarHBondContact O-CA 3.25Å
302	Y	89.6	Confident	90.8	Very high	63 Å²	63	28.3 Å²	28.3	25%	0.247	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-81.6	-5.7	173.6	-63.7	-98.2	0	0	0	112.8	E268 D299 D300 D359 V360 R361	E268-Y302 HydrophobicContact CG-CD1 4.45Å; E268-Y302 HydrophobicContact CG-CE1 4.41Å; D299-Y302 WeakPolarHBondContact O-CB 3.42Å; D299-Y302 PolarHBondContact O-N 3.28Å; D300-Y302 PolarHBondContact O-N 3.22Å; Y302-D359 WeakPolarHBondContact CA-O 3.34Å; Y302-D359 HydrophobicContact CD1-CB 3.78Å; Y302-D359 HydrophobicContact CE1-CB 3.7Å; Y302-V360 CarbonylContact O-C 3.58Å; Y302-V360 VanDerWaalsContact O-CA 3.29Å; Y302-V360 WeakPolarHBondContact O-CA 3.42Å; Y302-V360 WeakPolarHBondContact O-CG2 3.47Å; Y302-R361 HydrophobicContact CD1-CG 4.12Å; Y302-R361 HydrophobicContact CG-CG 4.16Å; Y302-R361 PolarHBondContact O-N 3.14Å
303	M	91.6	Very high	90.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-71.7	127.6	-178.9	-178.9	68.1	173.1	0	0	111.1	V295 D296 D300 N301 I325 L329 C353 R354	V295-M303 HydrophobicContact CB-CE 3.58Å; V295-M303 HydrophobicContact CB-SD 3.71Å; V295-M303 HydrophobicContact CG2-CE 3.43Å; V295-M303 VanDerWaalsContact CG2-CE 3.43Å; V295-M303 HydrophobicContact CG2-SD 4.27Å; D296-M303 VanDerWaalsContact C-SD 3.54Å; D296-M303 VanDerWaalsContact O-SD 3.35Å; D300-M303 WeakPolarHBondContact O-CB 3.5Å; D300-M303 PolarHBondContact O-N 3.27Å; N301-M303 VanDerWaalsContact C-N 3.26Å; M303-I325 HydrophobicContact CE-CG2 3.82Å; M303-L329 HydrophobicContact CE-CB 4.25Å; M303-L329 WeakPolarHBondContact CE-O 3.23Å; M303-C353 CarbonylContact O-C 3.58Å; M303-C353 WeakPolarHBondContact O-CA 3.13Å; M303-R354 HydrophobicContact CB-CB 4.02Å; M303-R354 PolarHBondContact O-N 3.39Å
304	P	93.3	Very high	89.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	138	173.5	29.4	-36.4	0	0	0	111.2	V295 V307 I325 I350 V360 I362	V295-P304 HydrophobicContact CB-CG 4.39Å; V295-P304 HydrophobicContact CG1-CG 3.55Å; P304-V307 HydrophobicContact CB-CG2 4.05Å; P304-I325 HydrophobicContact CB-CD1 4.03Å; P304-I325 HydrophobicContact CG-CD1 3.85Å; P304-I350 HydrophobicContact CB-CG2 3.9Å; P304-V360 HydrophobicContact CB-CG2 3.89Å; P304-V360 HydrophobicContact CG-CG2 4.15Å; P304-I362 HydrophobicContact CB-CD1 4.42Å; P304-I362 HydrophobicContact CG-CD1 3.75Å
305	K	92.9	Very high	89	Confident	70 Å²	70	42.7 Å²	42.7	30%	0.304	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-40.8	179.5	-176.6	169.8	-173.6	154.9	0	113	T324 I325 D327 E352	K305-T324 CarbonylContact O-C 3.52Å; K305-T324 WeakPolarHBondContact O-CA 3.49Å; K305-I325 PolarHBondContact O-N 2.94Å; K305-D327 IonicContact NZ-OD1 2.66Å; K305-D327 IonicContact NZ-OD2 3.65Å; K305-E352 WeakPolarHBondContact CA-O 3.36Å; K305-E352 HydrophobicContact CB-CB 4.49Å; K305-E352 WeakPolarHBondContact CB-O 3.45Å; K305-E352 PolarHBondContact N-O 2.96Å
306	R	94.1	Very high	88.8	Confident	75 Å²	75	49.3 Å²	49.3	28%	0.283	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.8	174.5	-166.2	175.7	72.6	-140.6	-6	110.9	D322 V323 E351 E352	R306-D322 WeakPolarHBondContact CG-OD1 3.39Å; R306-V323 WeakPolarHBondContact CA-O 3.28Å; R306-E351 HydrophobicContact CB-CB 4.47Å; R306-E351 PolarHBondContact O-N 3.29Å; R306-E352 HydrophobicContact CB-CB 4.01Å; R306-E352 HydrophobicContact CB-CG 4.41Å; R306-E352 IonicContact CZ-OE1 2.78Å; R306-E352 IonicContact CZ-OE2 3.79Å; R306-E352 PolarHBondContact N-O 3.22Å; R306-E352 IonicContact NH1-OE1 2.71Å; R306-E352 PolarHBondContact NH1-OE1 3.5Å; R306-E352 IonicContact NH1-OE2 3.89Å; R306-E352 PolarHBondContact NH1-OE2 2.84Å; R306-E352 IonicContact NH2-OE1 3.01Å; R306-E352 PolarHBondContact NH2-OE1 3.37Å; R306-E352 PolarHBondContact O-N 3.36Å
307	V	95.8	Very high	89	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.2	-178.9	178.7	0	0	0	0	109.4	L293 P304 V323 I325 V335 V348 R349 I350	L293-V307 HydrophobicContact CD1-CG1 4.13Å; L293-V307 HydrophobicContact CD1-CG2 4.39Å; P304-V307 HydrophobicContact CB-CG2 4.05Å; V307-V323 PolarHBondContact N-O 3.34Å; V307-V323 PolarHBondContact O-N 2.9Å; V307-I325 HydrophobicContact CG2-CD1 3.74Å; V307-V335 HydrophobicContact CB-CG1 4.46Å; V307-V335 HydrophobicContact CG1-CB 4.46Å; V307-V335 HydrophobicContact CG1-CG1 4.11Å; V307-V348 HydrophobicContact CG1-CG1 3.42Å; V307-V348 VanDerWaalsContact CG1-CG1 3.42Å; V307-R349 CarbonylContact C-O 3.47Å; V307-R349 WeakPolarHBondContact CA-O 3.3Å; V307-I350 HydrophobicContact CG2-CG1 4.47Å
308	T	95.4	Very high	89.1	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.9	174	-63.5	0	0	0	0	109.9	Y310 K319 S321 R349	T308-Y310 HydrophobicContact CG2-CD2 3.83Å; T308-Y310 HydrophobicContact CG2-CE2 3.21Å; T308-K319 HydrophobicContact CG2-CD 3.6Å; T308-K319 VanDerWaalsContact CG2-CE 3.45Å; T308-K319 HydrophobicContact CG2-CG 3.72Å; T308-K319 PolarHBondContact OG1-NZ 2.98Å; T308-S321 CarbonylContact C-O 3.5Å; T308-S321 WeakPolarHBondContact CA-O 3.45Å; T308-S321 VanDerWaalsContact CG2-O 3.26Å; T308-S321 WeakPolarHBondContact CG2-O 3.46Å; T308-R349 PolarHBondContact N-O 3.18Å; T308-R349 PolarHBondContact O-N 2.98Å
309	V	96.6	Very high	89.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.1	176.7	-172.2	0	0	0	0	110	L291 L320 S321 V335 L336 I346 E347 V348	L291-V309 HydrophobicContact CD2-CG1 4.37Å; V309-L320 PolarHBondContact O-N 3.5Å; V309-S321 PolarHBondContact N-O 3.44Å; V309-S321 PolarHBondContact O-N 2.88Å; V309-S321 VanDerWaalsContact O-N 3.17Å; V309-V335 HydrophobicContact CG2-CB 3.83Å; V309-V335 HydrophobicContact CG2-CG2 3.91Å; V309-V335 WeakPolarHBondContact CG2-O 3.32Å; V309-L336 HydrophobicContact CG1-CB 4.26Å; V309-L336 HydrophobicContact CG1-CD1 4.35Å; V309-L336 HydrophobicContact CG1-CD2 4.06Å; V309-L336 HydrophobicContact CG1-CG 4.47Å; V309-L336 HydrophobicContact CG2-CB 4.48Å; V309-I346 HydrophobicContact CG1-CG2 3.66Å; V309-E347 CarbonylContact C-O 3.6Å; V309-E347 WeakPolarHBondContact CA-O 3.26Å; V309-V348 HydrophobicContact CG2-CG2 4.39Å
310	Y	94.8	Very high	89.3	Confident	44 Å²	44	59.3 Å²	59.3	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	155.1	176.1	-70	-100.5	0	0	0	110.4	T308 K318 K319 I346 E347 R349	T308-Y310 HydrophobicContact CG2-CD2 3.83Å; T308-Y310 HydrophobicContact CG2-CE2 3.21Å; Y310-K318 CarbonylContact C-O 3.57Å; Y310-K318 VanDerWaalsContact CA-O 3.24Å; Y310-K318 WeakPolarHBondContact CA-O 3.14Å; Y310-K319 HydrophobicContact CD1-CB 4Å; Y310-K319 HydrophobicContact CE1-CB 3.65Å; Y310-K319 HydrophobicContact CE1-CG 4.39Å; Y310-I346 CarbonylContact O-C 3.57Å; Y310-I346 WeakPolarHBondContact O-CA 3.37Å; Y310-E347 PolarHBondContact N-O 3.38Å; Y310-E347 PolarHBondContact O-N 3.5Å; Y310-R349 HydrophobicContact CD2-CG 4.05Å; Y310-R349 HydrophobicContact CE2-CG 4.21Å
311	G	92.3	Very high	89.4	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	157.5	169.7	0	0	0	0	0	114	K318 V345	G311-K318 PolarHBondContact N-O 3.46Å; G311-K318 PolarHBondContact O-N 3.44Å; G311-V345 CarbonylContact C-O 3.4Å; G311-V345 WeakPolarHBondContact CA-O 3.34Å
312	G	87.7	Confident	89.4	Confident	10 Å²	10	57.2 Å²	57.2	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-158.8	-172.7	0	0	0	0	0	113.7	P344 V345	G312-P344 WeakPolarHBondContact O-CD 3.31Å; G312-V345 PolarHBondContact N-O 3.42Å; G312-V345 PolarHBondContact O-N 3.12Å
313	E	81.2	Confident	89.4	Confident	145 Å²	145	55.6 Å²	55.6	68%	0.678	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.4	178.5	-64.1	-170.7	165.4	0	0	110.5	D315 N316 P344	E313-D315 PolarHBondContact O-N 3.37Å; E313-N316 PolarHBondContact O-N 2.91Å; E313-N316 VanDerWaalsContact O-N 3.08Å; E313-P344 HydrophobicContact CG-CG 4.17Å
314	G	76	Confident	89.4	Confident	46 Å²	46	60.6 Å²	60.6	47%	0.474	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-127.8	-176.7	0	0	0	0	0	111.2	L317	G314-L317 WeakPolarHBondContact O-CD2 3.12Å
315	D	75.7	Confident	89.1	Confident	139 Å²	139	60.9 Å²	60.9	74%	0.743	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.1	179.3	-59.1	-43.1	0	0	0	113.8	E313 L317	E313-D315 PolarHBondContact O-N 3.37Å; D315-L317 PolarHBondContact O-N 2.92Å
316	N	86.4	Confident	88.4	Confident	140 Å²	140	62.3 Å²	62.3	75%	0.749	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	65.4	179.8	-72.6	-41.4	0	0	0	111.3	E313	E313-N316 PolarHBondContact O-N 2.91Å; E313-N316 VanDerWaalsContact O-N 3.08Å
317	L	89.4	Confident	87.8	Confident	29 Å²	29	61.4 Å²	61.4	15%	0.152	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.3	-178.5	-52.7	179.4	0	0	0	111.6	G314 D315 V345 E347	G314-L317 WeakPolarHBondContact O-CD2 3.12Å; D315-L317 PolarHBondContact O-N 2.92Å; L317-V345 HydrophobicContact CD2-CB 3.96Å; L317-V345 HydrophobicContact CD2-CG1 3.87Å; L317-E347 HydrophobicContact CD1-CB 3.79Å; L317-E347 HydrophobicContact CD1-CG 4.47Å
318	K	88.3	Confident	86.9	Confident	160 Å²	160	67.2 Å²	67.2	70%	0.696	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.3	173	-67.6	-178.7	-178.3	175.5	0	110	Y310 G311 L320	Y310-K318 CarbonylContact C-O 3.57Å; Y310-K318 VanDerWaalsContact CA-O 3.24Å; Y310-K318 WeakPolarHBondContact CA-O 3.14Å; G311-K318 PolarHBondContact N-O 3.46Å; G311-K318 PolarHBondContact O-N 3.44Å; K318-L320 PolarHBondContact O-N 3.25Å
319	K	90.8	Very high	85.7	Confident	104 Å²	104	69.6 Å²	69.6	45%	0.452	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	125.7	173.7	-177.2	163	172.4	148.4	0	109.6	T308 Y310 D322	T308-K319 HydrophobicContact CG2-CD 3.6Å; T308-K319 VanDerWaalsContact CG2-CE 3.45Å; T308-K319 HydrophobicContact CG2-CG 3.72Å; T308-K319 PolarHBondContact OG1-NZ 2.98Å; Y310-K319 HydrophobicContact CD1-CB 4Å; Y310-K319 HydrophobicContact CE1-CB 3.65Å; Y310-K319 HydrophobicContact CE1-CG 4.39Å; K319-D322 IonicContact NZ-OD2 3.83Å; K319-D322 PolarHBondContact NZ-OD2 3.26Å
320	L	84.7	Confident	84.7	Confident	62 Å²	62	72.5 Å²	72.5	33%	0.325	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-41.6	-178.9	-56.9	177.4	0	0	0	111.8	V309 K318 L336 M339 L343	V309-L320 PolarHBondContact O-N 3.5Å; K318-L320 PolarHBondContact O-N 3.25Å; L320-L336 HydrophobicContact CB-CD1 3.63Å; L320-L336 HydrophobicContact CD1-CD1 4.05Å; L320-L336 HydrophobicContact CD1-CD2 4.04Å; L320-M339 HydrophobicContact CD1-CE 4.19Å; L320-M339 HydrophobicContact CD1-SD 4.45Å; L320-M339 HydrophobicContact CD2-CE 4.29Å; L320-L343 HydrophobicContact CD1-CD1 3.42Å; L320-L343 VanDerWaalsContact CD1-CD1 3.42Å; L320-L343 HydrophobicContact CD2-CD1 4.26Å; L320-L343 HydrophobicContact CG-CD1 4.46Å
321	S	90.6	Very high	83.9	Confident	29 Å²	29	71.5 Å²	71.5	20%	0.203	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.8	-174.1	-175	0	0	0	0	111.2	T308 V309 V323 V335	T308-S321 CarbonylContact C-O 3.5Å; T308-S321 WeakPolarHBondContact CA-O 3.45Å; T308-S321 VanDerWaalsContact CG2-O 3.26Å; T308-S321 WeakPolarHBondContact CG2-O 3.46Å; V309-S321 PolarHBondContact N-O 3.44Å; V309-S321 PolarHBondContact O-N 2.88Å; V309-S321 VanDerWaalsContact O-N 3.17Å; S321-V323 WeakPolarHBondContact OG-CG2 3.49Å; S321-V335 WeakPolarHBondContact CB-O 3.14Å; S321-V335 PolarHBondContact OG-O 3.18Å
322	D	91.4	Very high	83.5	Confident	78 Å²	78	75.7 Å²	75.7	42%	0.417	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	112.6	175.2	-166.3	-15	0	0	0	108.3	R306 K319	R306-D322 WeakPolarHBondContact CG-OD1 3.39Å; K319-D322 IonicContact NZ-OD2 3.83Å; K319-D322 PolarHBondContact NZ-OD2 3.26Å
323	V	88.4	Confident	83.3	Confident	29 Å²	29	76 Å²	76	18%	0.176	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127	-169.4	-178.3	0	0	0	0	109.5	R306 V307 S321 V333	R306-V323 WeakPolarHBondContact CA-O 3.28Å; V307-V323 PolarHBondContact N-O 3.34Å; V307-V323 PolarHBondContact O-N 2.9Å; S321-V323 WeakPolarHBondContact OG-CG2 3.49Å; V323-V333 HydrophobicContact CG1-CG2 4.02Å
324	T	91.3	Very high	83.4	Confident	106 Å²	106	71 Å²	71	65%	0.65	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.1	169.1	-50.1	0	0	0	0	108.9	K305	K305-T324 CarbonylContact O-C 3.52Å; K305-T324 WeakPolarHBondContact O-CA 3.49Å
325	I	87.5	Confident	84	Confident	7 Å²	7	68.9 Å²	68.9	4%	0.036	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-98.6	140.1	-177	-55	176.6	0	0	0	108.7	V295 M303 P304 K305 V307 L329 V333	V295-I325 HydrophobicContact CG2-CG2 4.26Å; M303-I325 HydrophobicContact CE-CG2 3.82Å; P304-I325 HydrophobicContact CB-CD1 4.03Å; P304-I325 HydrophobicContact CG-CD1 3.85Å; K305-I325 PolarHBondContact O-N 2.94Å; V307-I325 HydrophobicContact CG2-CD1 3.74Å; I325-L329 HydrophobicContact CG2-CB 4.32Å; I325-L329 HydrophobicContact CG2-CD2 3.8Å; I325-V333 HydrophobicContact CD1-CG1 3.96Å; I325-V333 HydrophobicContact CG1-CG1 4.38Å; I325-V333 HydrophobicContact CG1-CG2 4.28Å
326	D	78.7	Confident	84.6	Confident	101 Å²	101	62.6 Å²	62.6	54%	0.54	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-70.6	131.8	175.9	-170.1	-53.3	0	0	0	110.2	N328 L329	D326-N328 PolarHBondContact O-N 3.49Å; D326-N328 PolarHBondContact OD1-N 2.95Å; D326-L329 HydrophobicContact CB-CB 4.31Å; D326-L329 VanDerWaalsContact O-CB 3.31Å; D326-L329 WeakPolarHBondContact O-CB 3.44Å; D326-L329 PolarHBondContact O-N 3.31Å
327	D	80	Confident	84.4	Confident	55 Å²	55	60.8 Å²	60.8	29%	0.294	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.3	-176.4	-66.7	-21.1	0	0	0	112.8	S297 K305 R354	S297-D327 VanDerWaalsContact CB-O 3.25Å; S297-D327 WeakPolarHBondContact CB-O 3.37Å; K305-D327 IonicContact NZ-OD1 2.66Å; K305-D327 IonicContact NZ-OD2 3.65Å; D327-R354 PolarHBondContact O-NH1 3.27Å
328	N	77.6	Confident	83.4	Confident	122 Å²	122	65 Å²	65	65%	0.652	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	0.7	179.1	-59.7	-54.9	0	0	0	114.1	S297 D326 I330	S297-N328 PolarHBondContact OG-O 3Å; D326-N328 PolarHBondContact O-N 3.49Å; D326-N328 PolarHBondContact OD1-N 2.95Å; N328-I330 PolarHBondContact O-N 3.42Å
329	L	69.8	Low	82.7	Confident	53 Å²	53	59 Å²	59	28%	0.277	32%	0.319	S	S	.	.			trans	-66.5	125.6	-174.6	-177.7	66.7	0	0	0	111.8	V295 S297 M303 I325 D326 V333	V295-L329 HydrophobicContact CG2-CD2 3.79Å; V295-L329 HydrophobicContact CG2-CG 4.19Å; S297-L329 PolarHBondContact N-O 2.67Å; M303-L329 HydrophobicContact CE-CB 4.25Å; M303-L329 WeakPolarHBondContact CE-O 3.23Å; I325-L329 HydrophobicContact CG2-CB 4.32Å; I325-L329 HydrophobicContact CG2-CD2 3.8Å; D326-L329 HydrophobicContact CB-CB 4.31Å; D326-L329 VanDerWaalsContact O-CB 3.31Å; D326-L329 WeakPolarHBondContact O-CB 3.44Å; D326-L329 PolarHBondContact O-N 3.31Å; L329-V333 HydrophobicContact CD2-CB 4.01Å
330	I	76.2	Confident	81.2	Confident	61 Å²	61	58 Å²	58	31%	0.313	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.5	163.4	-56.7	179.5	0	0	0	107.3	D296 S297 T298 N328	D296-I330 HydrophobicContact CB-CG2 4.47Å; S297-I330 WeakPolarHBondContact OG-CG1 3.43Å; T298-I330 HydrophobicContact CG2-CD1 4.21Å; N328-I330 PolarHBondContact O-N 3.42Å
331	G	77	Confident	80.3	Confident	23 Å²	23	56.8 Å²	56.8	24%	0.237	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	131.2	-145.8	177.6	0	0	0	0	0	113.8	T294 V295	T294-G331 WeakPolarHBondContact CA-O 3.42Å; V295-G331 WeakPolarHBondContact CG2-O 3.32Å; V295-G331 PolarHBondContact N-O 2.71Å; V295-G331 PolarHBondContact O-N 2.92Å
332	E	84.1	Confident	79.6	Confident	90 Å²	90	58.1 Å²	58.1	42%	0.421	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.4	-167.3	-74.1	-179.2	-175.7	0	0	113.3	I292 L293 K366	I292-E332 HydrophobicContact CG2-CB 3.56Å; I292-E332 HydrophobicContact CG2-CG 3.78Å; L293-E332 CarbonylContact O-C 3.54Å; L293-E332 WeakPolarHBondContact O-CA 3.3Å; E332-K366 WeakPolarHBondContact OE1-CD 3.5Å; E332-K366 VanDerWaalsContact OE1-CE 3.28Å; E332-K366 WeakPolarHBondContact OE1-CE 3.48Å; E332-K366 IonicContact OE1-NZ 2.67Å; E332-K366 PolarHBondContact OE1-NZ 3.16Å
333	V	83.9	Confident	79.2	Confident	17 Å²	17	55.8 Å²	55.8	10%	0.103	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.9	171.2	59.3	0	0	0	0	110.6	I292 L293 V295 V323 I325 L329 V335	I292-V333 CarbonylContact C-O 3.55Å; I292-V333 VanDerWaalsContact CA-O 3.28Å; I292-V333 WeakPolarHBondContact CA-O 3.31Å; L293-V333 HydrophobicContact CB-CG1 3.92Å; L293-V333 PolarHBondContact N-O 3.17Å; L293-V333 WeakPolarHBondContact O-CG1 3.38Å; L293-V333 PolarHBondContact O-N 3.21Å; V295-V333 HydrophobicContact CG1-CG1 4.32Å; V295-V333 HydrophobicContact CG2-CG1 4.17Å; V323-V333 HydrophobicContact CG1-CG2 4.02Å; I325-V333 HydrophobicContact CD1-CG1 3.96Å; I325-V333 HydrophobicContact CG1-CG1 4.38Å; I325-V333 HydrophobicContact CG1-CG2 4.28Å; L329-V333 HydrophobicContact CD2-CB 4.01Å; V333-V335 HydrophobicContact CG1-CG1 4.22Å; V333-V335 HydrophobicContact CG2-CG1 4.43Å; V333-V335 PolarHBondContact O-N 3.45Å
334	C	83.3	Confident	78.9	Confident	41 Å²	41	56.5 Å²	56.5	28%	0.277	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	117.3	174.2	-166.4	0	0	0	0	109.6	L291 I292 L336	L291-C334 CarbonylContact O-C 3.58Å; L291-C334 WeakPolarHBondContact O-CA 3.34Å; L291-C334 PolarHBondContact O-SG 3.33Å; I292-C334 HydrophobicContact CG1-CB 4.22Å; C334-L336 PolarHBondContact SG-O 2.85Å; C334-L336 VanDerWaalsContact SG-O 3.36Å
335	V	89.8	Confident	79	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-19	-175.6	-64.1	0	0	0	0	113.2	L291 L293 V307 V309 S321 V333	L291-V335 HydrophobicContact CB-CG2 4.14Å; L291-V335 HydrophobicContact CD2-CG2 3.92Å; L291-V335 HydrophobicContact CG-CG2 3.7Å; L291-V335 WeakPolarHBondContact O-CG2 3.17Å; L291-V335 PolarHBondContact O-N 3.07Å; L293-V335 HydrophobicContact CD1-CG1 3.72Å; L293-V335 HydrophobicContact CD1-CG2 4.34Å; L293-V335 HydrophobicContact CG-CG1 3.9Å; L293-V335 HydrophobicContact CG-CG2 4.01Å; V307-V335 HydrophobicContact CB-CG1 4.46Å; V307-V335 HydrophobicContact CG1-CB 4.46Å; V307-V335 HydrophobicContact CG1-CG1 4.11Å; V309-V335 HydrophobicContact CG2-CB 3.83Å; V309-V335 HydrophobicContact CG2-CG2 3.91Å; V309-V335 WeakPolarHBondContact CG2-O 3.32Å; S321-V335 WeakPolarHBondContact CB-O 3.14Å; S321-V335 PolarHBondContact OG-O 3.18Å; V333-V335 HydrophobicContact CG1-CG1 4.22Å; V333-V335 HydrophobicContact CG2-CG1 4.43Å; V333-V335 PolarHBondContact O-N 3.45Å
336	L	87.8	Confident	79.3	Confident	6 Å²	6	52 Å²	52	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.7	172.7	-172.4	69.2	0	0	0	109.1	V288 K290 L291 V309 L320 C334 M339 I346	V288-L336 HydrophobicContact CG1-CD2 4.34Å; K290-L336 CarbonylContact C-O 3.59Å; K290-L336 VanDerWaalsContact CA-O 3.32Å; K290-L336 WeakPolarHBondContact CA-O 3.47Å; L291-L336 HydrophobicContact CB-CB 3.8Å; L291-L336 HydrophobicContact CD2-CB 4.36Å; L291-L336 PolarHBondContact N-O 3.44Å; L291-L336 PolarHBondContact O-N 3.05Å; V309-L336 HydrophobicContact CG1-CB 4.26Å; V309-L336 HydrophobicContact CG1-CD1 4.35Å; V309-L336 HydrophobicContact CG1-CD2 4.06Å; V309-L336 HydrophobicContact CG1-CG 4.47Å; V309-L336 HydrophobicContact CG2-CB 4.48Å; L320-L336 HydrophobicContact CB-CD1 3.63Å; L320-L336 HydrophobicContact CD1-CD1 4.05Å; L320-L336 HydrophobicContact CD1-CD2 4.04Å; C334-L336 PolarHBondContact SG-O 2.85Å; C334-L336 VanDerWaalsContact SG-O 3.36Å; L336-M339 HydrophobicContact CD1-SD 3.77Å; L336-M339 HydrophobicContact CD2-CG 3.88Å; L336-M339 HydrophobicContact CD2-SD 4.05Å; L336-M339 HydrophobicContact CG-CG 4.05Å; L336-M339 HydrophobicContact CG-SD 3.98Å; L336-I346 HydrophobicContact CD2-CD1 4.22Å; L336-I346 HydrophobicContact CD2-CG2 4.38Å
337	E	82.1	Confident	80.1	Confident	102 Å²	102	47.3 Å²	47.3	48%	0.477	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.9	175.5	63.3	-176.9	-180	0	0	112.7	N289 K290 M339	N289-E337 CarbonylContact O-C 3.6Å; N289-E337 WeakPolarHBondContact O-CA 3.13Å; K290-E337 HydrophobicContact CG-CB 4.21Å; K290-E337 IonicContact NZ-OE2 3.69Å; E337-M339 VanDerWaalsContact C-N 3.33Å; E337-M339 PolarHBondContact O-N 2.92Å
338	D	67.6	Low	80.9	Confident	119 Å²	119	44.7 Å²	44.7	64%	0.636	25%	0.247	S	C	*	.			trans	57.5	37.2	170.4	-58.7	-26.3	0	0	0	114.8	N289 T340	N289-D338 PolarHBondContact O-N 3.46Å; D338-T340 PolarHBondContact O-N 3.25Å
339	M	74.1	Confident	81.8	Confident	34 Å²	34	42.9 Å²	42.9	17%	0.167	23%	0.231	C	C	.	.			trans	-67.5	137.1	172.3	-55.8	-59.7	-56.2	0	0	109.9	V287 V288 L320 L336 E337 L343	V287-M339 HydrophobicContact CG1-CB 4.22Å; V287-M339 WeakPolarHBondContact CG1-O 3.41Å; V288-M339 HydrophobicContact CB-CG 4.28Å; V288-M339 WeakPolarHBondContact O-CB 3.06Å; V288-M339 VanDerWaalsContact O-CG 3.28Å; V288-M339 WeakPolarHBondContact O-CG 3.42Å; V288-M339 PolarHBondContact O-N 3.46Å; L320-M339 HydrophobicContact CD1-CE 4.19Å; L320-M339 HydrophobicContact CD1-SD 4.45Å; L320-M339 HydrophobicContact CD2-CE 4.29Å; L336-M339 HydrophobicContact CD1-SD 3.77Å; L336-M339 HydrophobicContact CD2-CG 3.88Å; L336-M339 HydrophobicContact CD2-SD 4.05Å; L336-M339 HydrophobicContact CG-CG 4.05Å; L336-M339 HydrophobicContact CG-SD 3.98Å; E337-M339 VanDerWaalsContact C-N 3.33Å; E337-M339 PolarHBondContact O-N 2.92Å; M339-L343 HydrophobicContact CE-CD1 3.58Å; M339-L343 HydrophobicContact CE-CG 4.35Å
340	T	59.5	Low	83	Confident	83 Å²	83	40.4 Å²	40.4	51%	0.509	22%	0.218	S	C	.	.			trans	-106.8	0.8	-178.5	58.4	0	0	0	0	113.1	R146 D338 R373	R146-T340 PolarHBondContact NH1-O 2.8Å; R146-T340 PolarHBondContact NH1-OG1 2.71Å; D338-T340 PolarHBondContact O-N 3.25Å; T340-R373 PolarHBondContact O-NE 2.85Å
341	S	65.6	Low	83.8	Confident	36 Å²	36	40 Å²	40	25%	0.252	21%	0.214	S	C	.	.	S	Bend	trans	-147.4	145.6	-177.4	52.3	0	0	0	0	111.1
342	H	76.7	Confident	84.5	Confident	57 Å²	57	42.2 Å²	42.2	26%	0.264	22%	0.219	S	C	.	.			trans	-63.5	133.1	173.1	163.1	-104.7	0	0	0	110.3	K283 G285 T286 V287	K283-H342 PolarHBondContact O-NE2 3.11Å; G285-H342 PolarHBondContact N-CD2 3.47Å; T286-H342 PolarHBondContact N-CD2 3.25Å; T286-H342 PolarHBondContact O-CD2 3.45Å; V287-H342 HydrophobicContact CG2-CB 4.42Å
343	L	82.9	Confident	84.8	Confident	29 Å²	29	38.2 Å²	38.2	15%	0.152	20%	0.201	C	C	.	.			trans	-117.6	118.9	173	-67.9	178.2	0	0	0	107.9	M282 L320 M339 V345 I346	M282-L343 VanDerWaalsContact CB-O 3.27Å; M282-L343 WeakPolarHBondContact CB-O 3.44Å; M282-L343 WeakPolarHBondContact CG-O 3.43Å; L320-L343 HydrophobicContact CD1-CD1 3.42Å; L320-L343 VanDerWaalsContact CD1-CD1 3.42Å; L320-L343 HydrophobicContact CD2-CD1 4.26Å; L320-L343 HydrophobicContact CG-CD1 4.46Å; M339-L343 HydrophobicContact CE-CD1 3.58Å; M339-L343 HydrophobicContact CE-CG 4.35Å; L343-V345 PolarHBondContact O-N 2.99Å; L343-I346 HydrophobicContact CB-CG1 4.13Å; L343-I346 HydrophobicContact CD1-CG1 4.49Å
344	P	81.3	Confident	85.1	Confident	44 Å²	44	40 Å²	40	29%	0.286	21%	0.205	S	C	.	.	S	Bend	trans	-61.9	-32	-177.7	-25.6	34.6	0	0	0	113.9	M282 G312 E313	M282-P344 PolarHBondContact N-O 2.92Å; G312-P344 WeakPolarHBondContact O-CD 3.31Å; E313-P344 HydrophobicContact CG-CG 4.17Å
345	V	92.6	Very high	85.3	Confident	15 Å²	15	43 Å²	43	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.5	178.8	-176.7	0	0	0	0	109.2	R279 L281 G311 G312 L317 L343	R279-V345 HydrophobicContact CG-CG1 3.74Å; L281-V345 HydrophobicContact CD2-CG2 4.21Å; G311-V345 CarbonylContact C-O 3.4Å; G311-V345 WeakPolarHBondContact CA-O 3.34Å; G312-V345 PolarHBondContact N-O 3.42Å; G312-V345 PolarHBondContact O-N 3.12Å; L317-V345 HydrophobicContact CD2-CB 3.96Å; L317-V345 HydrophobicContact CD2-CG1 3.87Å; L343-V345 PolarHBondContact O-N 2.99Å
346	I	95	Very high	85.1	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.3	169.5	-62.1	175.4	0	0	0	107.9	L280 M282 V288 L291 V309 Y310 L336 L343	L280-I346 HydrophobicContact CB-CB 4.4Å; L280-I346 HydrophobicContact CD1-CG2 4.46Å; L280-I346 PolarHBondContact N-O 2.78Å; L280-I346 PolarHBondContact O-N 2.86Å; L280-I346 VanDerWaalsContact O-N 3.08Å; M282-I346 HydrophobicContact CE-CD1 4.4Å; M282-I346 HydrophobicContact CG-CD1 4.1Å; M282-I346 HydrophobicContact CG-CG1 4.15Å; M282-I346 HydrophobicContact SD-CD1 4.03Å; M282-I346 HydrophobicContact SD-CG1 4.45Å; V288-I346 HydrophobicContact CB-CD1 4.23Å; V288-I346 HydrophobicContact CG2-CD1 3.47Å; V288-I346 VanDerWaalsContact CG2-CD1 3.47Å; L291-I346 HydrophobicContact CD2-CG2 4Å; V309-I346 HydrophobicContact CG1-CG2 3.66Å; Y310-I346 CarbonylContact O-C 3.57Å; Y310-I346 WeakPolarHBondContact O-CA 3.37Å; L336-I346 HydrophobicContact CD2-CD1 4.22Å; L336-I346 HydrophobicContact CD2-CG2 4.38Å; L343-I346 HydrophobicContact CB-CG1 4.13Å; L343-I346 HydrophobicContact CD1-CG1 4.49Å
347	E	96.3	Very high	85	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.019	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.2	-179.4	-175.5	173.6	93.2	0	0	109.9	W277 I278 R279 V309 Y310 L317 R349	W277-E347 HydrophobicContact CB-CG 4.12Å; I278-E347 WeakPolarHBondContact O-CA 3.44Å; R279-E347 HydrophobicContact CB-CG 4.46Å; R279-E347 IonicContact CZ-OE2 2.76Å; R279-E347 IonicContact NE-OE2 3.12Å; R279-E347 PolarHBondContact NE-OE2 2.99Å; R279-E347 IonicContact NH2-OE2 3.38Å; R279-E347 PolarHBondContact NH2-OE2 3.13Å; V309-E347 CarbonylContact C-O 3.6Å; V309-E347 WeakPolarHBondContact CA-O 3.26Å; Y310-E347 PolarHBondContact N-O 3.38Å; Y310-E347 PolarHBondContact O-N 3.5Å; L317-E347 HydrophobicContact CD1-CB 3.79Å; L317-E347 HydrophobicContact CD1-CG 4.47Å; E347-R349 HydrophobicContact CG-CG 4.19Å; E347-R349 IonicContact OE1-CZ 2.9Å; E347-R349 IonicContact OE1-NE 2.58Å; E347-R349 PolarHBondContact OE1-NE 3.45Å; E347-R349 IonicContact OE1-NH2 3.98Å; E347-R349 PolarHBondContact OE1-NH2 3.47Å
348	V	96.4	Very high	85.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.7	174.2	-177.2	0	0	0	0	107.4	W277 I278 L291 L293 V307 V309	W277-V348 CarbonylContact C-O 3.55Å; W277-V348 WeakPolarHBondContact CA-O 3.3Å; W277-V348 WeakPolarHBondContact CB-O 3.35Å; I278-V348 HydrophobicContact CB-CB 4.37Å; I278-V348 PolarHBondContact N-O 3.18Å; I278-V348 PolarHBondContact O-N 3.46Å; L291-V348 HydrophobicContact CD2-CG2 3.61Å; L293-V348 HydrophobicContact CD1-CG1 4.02Å; V307-V348 HydrophobicContact CG1-CG1 3.42Å; V307-V348 VanDerWaalsContact CG1-CG1 3.42Å; V309-V348 HydrophobicContact CG2-CG2 4.39Å
349	R	95.4	Very high	86.3	Confident	84 Å²	84	45.3 Å²	45.3	32%	0.317	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.8	176.5	-61.3	-169.9	-176.4	177.1	-4.1	110.1	W277 V307 T308 Y310 E347 E351	W277-R349 HydrophobicContact CB-CG 4.17Å; V307-R349 CarbonylContact C-O 3.47Å; V307-R349 WeakPolarHBondContact CA-O 3.3Å; T308-R349 PolarHBondContact N-O 3.18Å; T308-R349 PolarHBondContact O-N 2.98Å; Y310-R349 HydrophobicContact CD2-CG 4.05Å; Y310-R349 HydrophobicContact CE2-CG 4.21Å; E347-R349 HydrophobicContact CG-CG 4.19Å; E347-R349 IonicContact OE1-CZ 2.9Å; E347-R349 IonicContact OE1-NE 2.58Å; E347-R349 PolarHBondContact OE1-NE 3.45Å; E347-R349 IonicContact OE1-NH2 3.98Å; E347-R349 PolarHBondContact OE1-NH2 3.47Å; R349-E351 WeakPolarHBondContact CB-OE1 3.28Å
350	I	94.8	Very high	87.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	102.5	173.7	-57.2	83.9	0	0	0	106.1	W267 H276 P304 V307 V360	W267-I350 HydrophobicContact CZ3-CD1 4.42Å; H276-I350 HydrophobicContact CB-CB 4.22Å; H276-I350 HydrophobicContact CB-CD1 4.26Å; H276-I350 PolarHBondContact O-N 2.98Å; P304-I350 HydrophobicContact CB-CG2 3.9Å; V307-I350 HydrophobicContact CG2-CG1 4.47Å; I350-V360 HydrophobicContact CB-CG1 4.46Å; I350-V360 HydrophobicContact CD1-CG1 4.34Å; I350-V360 HydrophobicContact CG1-CG1 4.22Å; I350-V360 HydrophobicContact CG1-CG2 4.3Å; I350-V360 HydrophobicContact CG2-CB 4.25Å; I350-V360 HydrophobicContact CG2-CG1 4.48Å; I350-V360 HydrophobicContact CG2-CG2 4.03Å
351	E	92.6	Very high	88.7	Confident	51 Å²	51	42.1 Å²	42.1	24%	0.238	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-36.6	-172.5	-59.8	-70.8	159.8	0	0	111.1	G274 R306 R349	G274-E351 WeakPolarHBondContact CA-O 3.33Å; R306-E351 HydrophobicContact CB-CB 4.47Å; R306-E351 PolarHBondContact O-N 3.29Å; R349-E351 WeakPolarHBondContact CB-OE1 3.28Å
352	E	92.2	Very high	90	Very high	71 Å²	71	40.4 Å²	40.4	33%	0.332	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138	-177.2	-64.8	173.1	-177.6	0	0	110	K305 R306	K305-E352 WeakPolarHBondContact CA-O 3.36Å; K305-E352 HydrophobicContact CB-CB 4.49Å; K305-E352 WeakPolarHBondContact CB-O 3.45Å; K305-E352 PolarHBondContact N-O 2.96Å; R306-E352 HydrophobicContact CB-CB 4.01Å; R306-E352 HydrophobicContact CB-CG 4.41Å; R306-E352 IonicContact CZ-OE1 2.78Å; R306-E352 IonicContact CZ-OE2 3.79Å; R306-E352 PolarHBondContact N-O 3.22Å; R306-E352 IonicContact NH1-OE1 2.71Å; R306-E352 PolarHBondContact NH1-OE1 3.5Å; R306-E352 IonicContact NH1-OE2 3.89Å; R306-E352 PolarHBondContact NH1-OE2 2.84Å; R306-E352 IonicContact NH2-OE1 3.01Å; R306-E352 PolarHBondContact NH2-OE1 3.37Å; R306-E352 PolarHBondContact O-N 3.36Å
353	C	91.1	Very high	90.5	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	162.5	168.9	-64.1	0	0	0	0	110.7	M303 G357 D359	M303-C353 CarbonylContact O-C 3.58Å; M303-C353 WeakPolarHBondContact O-CA 3.13Å; C353-G357 WeakPolarHBondContact CB-O 3.38Å; C353-D359 PolarHBondContact SG-O 2.93Å
354	R	90.3	Very high	90.8	Very high	53 Å²	53	37.8 Å²	37.8	20%	0.2	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-61.6	143.6	175.4	179.5	176	169	174.8	-3.9	110.4	M303 D327 E356 G357	M303-R354 HydrophobicContact CB-CB 4.02Å; M303-R354 PolarHBondContact O-N 3.39Å; D327-R354 PolarHBondContact O-NH1 3.27Å; R354-E356 PolarHBondContact O-N 2.78Å; R354-E356 VanDerWaalsContact O-N 3.1Å; R354-G357 PolarHBondContact O-N 2.75Å
355	D	88.1	Confident	91.1	Very high	106 Å²	106	35.9 Å²	35.9	57%	0.567	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	51.4	35.5	176.2	-61	-40.4	0	0	0	114.5	G357	D355-G357 PolarHBondContact O-N 3.34Å
356	E	84.6	Confident	90.8	Very high	144 Å²	144	38.3 Å²	38.3	67%	0.673	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	58.3	31.7	-177.9	-56	-68.6	164.4	0	0	113.1	Q273 R354	Q273-E356 PolarHBondContact NE2-OE2 3.12Å; R354-E356 PolarHBondContact O-N 2.78Å; R354-E356 VanDerWaalsContact O-N 3.1Å
357	G	84.9	Confident	90.2	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.021	18%	0.179	C	C	.	.			trans	-57.2	144.8	174.6	0	0	0	0	0	113	Q273 N301 C353 R354 D355	Q273-G357 WeakPolarHBondContact CG-O 3.44Å; N301-G357 WeakPolarHBondContact O-CA 3.25Å; C353-G357 WeakPolarHBondContact CB-O 3.38Å; R354-G357 PolarHBondContact O-N 2.75Å; D355-G357 PolarHBondContact O-N 3.34Å
358	I	87.9	Confident	89.2	Confident	96 Å²	96	40.1 Å²	40.1	49%	0.492	19%	0.187	S	C	.	.	S	Bend	trans	-85.8	-47.6	-176.6	-64.3	175.3	0	0	0	110.3	G271 H276	G271-I358 WeakPolarHBondContact O-CG2 3.38Å; H276-I358 PolarHBondContact CD2-O 3.29Å; H276-I358 PolarHBondContact NE2-O 3.11Å
359	D	89.4	Confident	87.8	Confident	33 Å²	33	41.9 Å²	41.9	18%	0.176	20%	0.199	C	C	.	.	S	Bend	trans	-101.6	164.6	-178.1	-60.8	-55	0	0	0	111.6	S269 D270 G271 H276 Y302 C353	S269-D359 WeakPolarHBondContact O-CB 3.3Å; S269-D359 WeakPolarHBondContact OG-CA 3.45Å; D270-D359 WeakPolarHBondContact CA-OD1 3.45Å; G271-D359 PolarHBondContact N-OD1 3.35Å; G271-D359 VanDerWaalsContact N-OD1 3.12Å; H276-D359 IonicContact CE1-OD1 3.81Å; Y302-D359 WeakPolarHBondContact CA-O 3.34Å; Y302-D359 HydrophobicContact CD1-CB 3.78Å; Y302-D359 HydrophobicContact CE1-CB 3.7Å; C353-D359 PolarHBondContact SG-O 2.93Å
360	V	91.8	Very high	86	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.			trans	-125.2	141.5	179	66.2	0	0	0	0	111.7	W267 E268 S269 H276 Y302 P304 I350 I362	W267-V360 HydrophobicContact CH2-CG1 4.12Å; W267-V360 HydrophobicContact CZ3-CG1 3.8Å; E268-V360 WeakPolarHBondContact CA-O 3.13Å; S269-V360 PolarHBondContact N-O 3.12Å; S269-V360 WeakPolarHBondContact OG-CG1 3.24Å; S269-V360 PolarHBondContact OG-N 3.25Å; H276-V360 HydrophobicContact CB-CG1 3.97Å; Y302-V360 CarbonylContact O-C 3.58Å; Y302-V360 VanDerWaalsContact O-CA 3.29Å; Y302-V360 WeakPolarHBondContact O-CA 3.42Å; Y302-V360 WeakPolarHBondContact O-CG2 3.47Å; P304-V360 HydrophobicContact CB-CG2 3.89Å; P304-V360 HydrophobicContact CG-CG2 4.15Å; I350-V360 HydrophobicContact CB-CG1 4.46Å; I350-V360 HydrophobicContact CD1-CG1 4.34Å; I350-V360 HydrophobicContact CG1-CG1 4.22Å; I350-V360 HydrophobicContact CG1-CG2 4.3Å; I350-V360 HydrophobicContact CG2-CB 4.25Å; I350-V360 HydrophobicContact CG2-CG1 4.48Å; I350-V360 HydrophobicContact CG2-CG2 4.03Å; V360-I362 HydrophobicContact CG2-CD1 3.88Å; V360-I362 HydrophobicContact CG2-CG1 4.17Å
361	R	92.5	Very high	83.6	Confident	50 Å²	50	43.4 Å²	43.4	19%	0.189	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.4	166.4	-74.8	178.3	-177	161.1	4.6	110.8	Y266 W267 E268 D299 Y302	Y266-R361 HydrophobicContact CD2-CB 4.44Å; Y266-R361 HydrophobicContact CD2-CG 3.76Å; Y266-R361 HydrophobicContact CE2-CG 4.15Å; Y266-R361 HydrophobicContact CG-CG 4.29Å; W267-R361 VanDerWaalsContact O-CA 3.3Å; W267-R361 WeakPolarHBondContact O-CA 3.45Å; E268-R361 HydrophobicContact CB-CG 4.25Å; E268-R361 HydrophobicContact CG-CG 4.16Å; E268-R361 IonicContact OE2-CZ 2.79Å; E268-R361 IonicContact OE2-NE 3.18Å; E268-R361 PolarHBondContact OE2-NE 2.92Å; E268-R361 IonicContact OE2-NH2 2.57Å; E268-R361 PolarHBondContact OE2-NH2 3.42Å; D299-R361 HydrophobicContact CB-CB 4.33Å; D299-R361 IonicContact OD1-NH1 2.75Å; Y302-R361 HydrophobicContact CD1-CG 4.12Å; Y302-R361 HydrophobicContact CG-CG 4.16Å; Y302-R361 PolarHBondContact O-N 3.14Å
362	I	92.7	Very high	81.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.5	172.6	-55.3	-65.8	0	0	0	108.1	L258 Y266 W267 I278 L293 V295 P304 V360 G364	L258-I362 HydrophobicContact CD2-CB 3.86Å; L258-I362 HydrophobicContact CD2-CG2 3.66Å; Y266-I362 WeakPolarHBondContact CA-O 3.16Å; W267-I362 HydrophobicContact CE3-CB 4Å; W267-I362 HydrophobicContact CE3-CG1 3.83Å; W267-I362 HydrophobicContact CZ3-CG1 3.95Å; W267-I362 PolarHBondContact N-O 3.21Å; W267-I362 PolarHBondContact O-N 2.85Å; I278-I362 HydrophobicContact CD1-CG1 4.29Å; L293-I362 HydrophobicContact CD1-CD1 4.46Å; L293-I362 HydrophobicContact CD2-CG2 4.32Å; V295-I362 HydrophobicContact CG1-CD1 4.24Å; P304-I362 HydrophobicContact CB-CD1 4.42Å; P304-I362 HydrophobicContact CG-CD1 3.75Å; V360-I362 HydrophobicContact CG2-CD1 3.88Å; V360-I362 HydrophobicContact CG2-CG1 4.17Å; I362-G364 VanDerWaalsContact C-N 3.34Å
363	R	87.7	Confident	79.4	Confident	24 Å²	24	45.5 Å²	45.5	9%	0.091	23%	0.23	C	C	.	.			trans	-84.6	-9	-173.7	-61.7	-169.3	169.1	-112.7	0.1	114.4	T263 T265 T294 D296 D299	T263-R363 WeakPolarHBondContact O-CD 3.48Å; T263-R363 PolarHBondContact O-NH1 3.02Å; T265-R363 WeakPolarHBondContact O-CA 3.11Å; T294-R363 HydrophobicContact CG2-CB 3.98Å; T294-R363 PolarHBondContact O-N 2.64Å; D296-R363 IonicContact OD2-CZ 3.71Å; D296-R363 IonicContact OD2-NE 3.31Å; D299-R363 IonicContact OD1-CZ 2.79Å; D299-R363 IonicContact OD1-NE 3.7Å; D299-R363 IonicContact OD1-NH2 3.84Å; D299-R363 PolarHBondContact OD1-NH2 2.91Å; D299-R363 IonicContact OD2-CZ 2.71Å; D299-R363 IonicContact OD2-NE 3.21Å; D299-R363 PolarHBondContact OD2-NE 3.33Å; D299-R363 IonicContact OD2-NH2 3.36Å; D299-R363 PolarHBondContact OD2-NH2 3.17Å
364	G	88.2	Confident	77.6	Confident	8 Å²	8	49.6 Å²	49.6	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	158.6	-179.6	0	0	0	0	0	112.6	L293 T294 I362	L293-G364 WeakPolarHBondContact CA-O 3.4Å; T294-G364 PolarHBondContact N-O 2.77Å; I362-G364 VanDerWaalsContact C-N 3.34Å
365	L	89.6	Confident	76.1	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137	174.9	-165.4	143.6	0	0	0	107.9	V235 L258 I278 L280 L291 I292 L293 I367	V235-L365 HydrophobicContact CB-CD2 4.19Å; V235-L365 HydrophobicContact CG1-CD2 3.69Å; V235-L365 VanDerWaalsContact CG2-C 3.5Å; V235-L365 HydrophobicContact CG2-CB 4.2Å; V235-L365 HydrophobicContact CG2-CD2 3.37Å; V235-L365 HydrophobicContact CG2-CG 4.38Å; V235-L365 WeakPolarHBondContact CG2-O 3.46Å; L258-L365 HydrophobicContact CB-CB 4.43Å; L258-L365 PolarHBondContact O-N 2.92Å; I278-L365 HydrophobicContact CG2-CD1 4.16Å; L280-L365 HydrophobicContact CD1-CD1 4.43Å; L280-L365 HydrophobicContact CD1-CD2 4.18Å; L280-L365 HydrophobicContact CD2-CD1 4.21Å; L280-L365 HydrophobicContact CD2-CD2 4.16Å; L291-L365 HydrophobicContact CD1-CD1 4.32Å; L291-L365 HydrophobicContact CD1-CD2 3.62Å; L291-L365 HydrophobicContact CD1-CG 3.99Å; I292-L365 CarbonylContact O-C 3.08Å; I292-L365 WeakPolarHBondContact O-CA 3.3Å; L293-L365 HydrophobicContact CD2-CD1 3.76Å; L293-L365 HydrophobicContact CD2-CG 4.08Å; L365-I367 HydrophobicContact CD2-CD1 4.17Å; L365-I367 HydrophobicContact CD2-CG1 3.88Å
366	K	85.6	Confident	74.9	Confident	65 Å²	65	45.4 Å²	45.4	28%	0.283	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.1	175.8	-63.6	-177.1	-178.5	177.1	0	109.6	I292 E332	I292-K366 HydrophobicContact CB-CB 4.23Å; I292-K366 PolarHBondContact N-O 2.85Å; I292-K366 PolarHBondContact O-N 3.33Å; E332-K366 WeakPolarHBondContact OE1-CD 3.5Å; E332-K366 VanDerWaalsContact OE1-CE 3.28Å; E332-K366 WeakPolarHBondContact OE1-CE 3.48Å; E332-K366 IonicContact OE1-NZ 2.67Å; E332-K366 PolarHBondContact OE1-NZ 3.16Å
367	I	81.9	Confident	74.4	Confident	4 Å²	4	39 Å²	39	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.2	173.5	-62.4	175.1	0	0	0	107.7	V235 C238 V239 L280 M282 V288 K290 L291 L365	V235-I367 HydrophobicContact CG1-CD1 3.84Å; V235-I367 HydrophobicContact CG1-CG1 4.41Å; V235-I367 HydrophobicContact CG2-CG1 4.28Å; C238-I367 HydrophobicContact CB-CB 4.27Å; C238-I367 HydrophobicContact CB-CD1 4.09Å; C238-I367 HydrophobicContact CB-CG2 4Å; V239-I367 HydrophobicContact CG1-CD1 3.8Å; L280-I367 HydrophobicContact CD1-CD1 4Å; M282-I367 HydrophobicContact CE-CD1 4.29Å; M282-I367 HydrophobicContact SD-CD1 4.46Å; V288-I367 HydrophobicContact CG1-CG2 4.43Å; V288-I367 HydrophobicContact CG2-CG2 4.28Å; K290-I367 CarbonylContact O-C 3.49Å; K290-I367 WeakPolarHBondContact O-CA 3.18Å; L291-I367 HydrophobicContact CD1-CD1 4.31Å; L291-I367 HydrophobicContact CD1-CG1 3.65Å; L365-I367 HydrophobicContact CD2-CD1 4.17Å; L365-I367 HydrophobicContact CD2-CG1 3.88Å
368	K	75	Confident	74.2	Confident	40 Å²	40	40.7 Å²	40.7	17%	0.174	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.4	156.3	-168.4	171.9	-179.8	168.1	0	106.7	D229 L232 N289 K290	D229-K368 WeakPolarHBondContact OD1-CE 3.43Å; D229-K368 IonicContact OD1-NZ 3.89Å; D229-K368 PolarHBondContact OD1-NZ 3.03Å; L232-K368 HydrophobicContact CD2-CB 3.88Å; L232-K368 HydrophobicContact CD2-CG 4.4Å; N289-K368 WeakPolarHBondContact CA-O 3.41Å; N289-K368 HydrophobicContact CB-CB 4.44Å; N289-K368 HydrophobicContact CB-CG 4.24Å; N289-K368 PolarHBondContact N-O 3.25Å; K290-K368 HydrophobicContact CB-CB 3.96Å; K290-K368 PolarHBondContact N-O 3.49Å; K290-K368 PolarHBondContact O-N 3.49Å
369	S	67.8	Low	74	Confident	37 Å²	37	36.2 Å²	36.2	26%	0.259	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156	173.9	64.1	0	0	0	0	110.8	C238 V287	C238-S369 PolarHBondContact SG-OG 3.39Å; V287-S369 CarbonylContact O-C 3.52Å; V287-S369 WeakPolarHBondContact O-CA 3.17Å; V287-S369 WeakPolarHBondContact O-CB 3.46Å
370	S	57.7	Low	73.7	Confident	17 Å²	17	36.6 Å²	36.6	12%	0.119	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.7	168.2	75.4	0	0	0	0	109.9	V287 N289 E372 D374	V287-S370 PolarHBondContact N-O 3.25Å; V287-S370 PolarHBondContact O-N 3.37Å; N289-S370 PolarHBondContact OD1-OG 3.04Å; S370-E372 WeakPolarHBondContact CB-O 3.19Å; S370-E372 PolarHBondContact OG-O 3.15Å; S370-D374 PolarHBondContact OG-N 3.21Å
371	C	44.2	Very low	73.2	Confident	101 Å²	101	38.2 Å²	38.2	68%	0.682	21%	0.209	S	C	*	.	S	Bend	trans	-75.1	-18.2	170.1	-62.5	0	0	0	0	111.1
372	E	48.1	Very low	72.9	Confident	119 Å²	119	35.9 Å²	35.9	56%	0.556	20%	0.2	S	C	*	.	S	Bend	trans	-127.1	138.3	170.4	-65.6	-174.5	163.2	0	0	107.4	S370 D374	S370-E372 WeakPolarHBondContact CB-O 3.19Å; S370-E372 PolarHBondContact OG-O 3.15Å; E372-D374 PolarHBondContact O-N 3.16Å
373	R	48.2	Very low	72.2	Confident	47 Å²	47	40.2 Å²	40.2	18%	0.177	22%	0.22	C	C	.	.			trans	-55.4	132.7	-174.9	-67.7	175.8	-170.1	166.6	7.2	111.4	C138 H140 T340 L375	C138-R373 PolarHBondContact SG-NH1 3.45Å; H140-R373 PolarHBondContact ND1-O 2.87Å; T340-R373 PolarHBondContact O-NE 2.85Å; R373-L375 HydrophobicContact CB-CD2 4.15Å; R373-L375 HydrophobicContact CB-CG 4.32Å; R373-L375 PolarHBondContact O-N 2.75Å; R373-L375 VanDerWaalsContact O-N 3.12Å
374	D	53.1	Low	71.2	Confident	91 Å²	91	43.4 Å²	43.4	49%	0.487	25%	0.246	S	C	.	.			trans	-73.9	99.3	170.4	-177.3	1.3	0	0	0	108.8	N289 S370 E372 G376	N289-D374 VanDerWaalsContact ND2-CB 3.25Å; N289-D374 WeakPolarHBondContact ND2-CB 3.4Å; S370-D374 PolarHBondContact OG-N 3.21Å; E372-D374 PolarHBondContact O-N 3.16Å; D374-G376 VanDerWaalsContact C-N 3.29Å; D374-G376 PolarHBondContact OD1-N 3.25Å; D374-G376 VanDerWaalsContact OD1-N 3.08Å
375	L	58.3	Low	70.6	Confident	35 Å²	35	47 Å²	47	18%	0.183	27%	0.27	C	S	.	.			trans	-92.5	9.9	-179.9	-61.4	177.5	0	0	0	112.1	C107 L112 C138 R373	C107-L375 VanDerWaalsContact SG-CB 3.54Å; L112-L375 HydrophobicContact CB-CD1 4.32Å; L112-L375 HydrophobicContact CB-CD2 4.45Å; C138-L375 HydrophobicContact CB-CD2 4.08Å; R373-L375 HydrophobicContact CB-CD2 4.15Å; R373-L375 HydrophobicContact CB-CG 4.32Å; R373-L375 PolarHBondContact O-N 2.75Å; R373-L375 VanDerWaalsContact O-N 3.12Å
376	G	64	Low	69.8	Low	36 Å²	36	49.8 Å²	49.8	37%	0.371	29%	0.285	S	S	.	.	S	Bend	trans	84.1	-156.2	-175.4	0	0	0	0	0	113.1	D374 N378	D374-G376 VanDerWaalsContact C-N 3.29Å; D374-G376 PolarHBondContact OD1-N 3.25Å; D374-G376 VanDerWaalsContact OD1-N 3.08Å; G376-N378 PolarHBondContact O-N 3.19Å
377	L	74.3	Confident	69.6	Low	10 Å²	10	47 Å²	47	5%	0.052	27%	0.273	C	S	.	.			trans	-58.1	124.4	-175.7	174.2	58.5	0	0	0	111.2	C107 F221 I225 F382 Y402 A405	C107-L377 WeakPolarHBondContact CB-O 3.24Å; F221-L377 HydrophobicContact CE1-CD1 3.51Å; F221-L377 HydrophobicContact CE1-CD2 3.82Å; F221-L377 HydrophobicContact CE1-CG 4.2Å; F221-L377 HydrophobicContact CE2-CD1 4.29Å; F221-L377 HydrophobicContact CZ-CD1 3.22Å; F221-L377 HydrophobicContact CZ-CD2 3.52Å; F221-L377 HydrophobicContact CZ-CG 3.97Å; I225-L377 HydrophobicContact CD1-CD1 3.53Å; L377-F382 HydrophobicContact CD1-CE2 4.18Å; L377-F382 HydrophobicContact CD1-CZ 4.49Å; L377-F382 HydrophobicContact CD2-CE2 4.11Å; L377-F382 HydrophobicContact CD2-CZ 4.34Å; L377-F382 HydrophobicContact CG-CE2 4.37Å; L377-Y402 HydrophobicContact CB-CE2 4.18Å; L377-Y402 HydrophobicContact CD2-CD2 3.64Å; L377-Y402 HydrophobicContact CD2-CE2 3.87Å; L377-Y402 HydrophobicContact CD2-CG 4.49Å; L377-Y402 HydrophobicContact CG-CD2 3.8Å; L377-Y402 HydrophobicContact CG-CE2 3.79Å; L377-Y402 WeakPolarHBondContact O-CE2 3.46Å; L377-A405 HydrophobicContact CD2-CB 3.85Å
378	N	80.5	Confident	69.4	Low	37 Å²	37	51.8 Å²	51.8	20%	0.198	30%	0.302	C	S	.	.			trans	-90	121.1	173.5	-173.2	-28.7	0	0	0	110.4	N108 S109 G376 D380 V381	N108-N378 VanDerWaalsContact CA-OD1 3.25Å; N108-N378 WeakPolarHBondContact CA-OD1 3.38Å; S109-N378 PolarHBondContact N-ND2 2.76Å; S109-N378 PolarHBondContact N-OD1 2.81Å; G376-N378 PolarHBondContact O-N 3.19Å; N378-D380 PolarHBondContact O-N 3.47Å; N378-D380 VanDerWaalsContact OD1-CB 3.28Å; N378-D380 WeakPolarHBondContact OD1-CB 3.3Å; N378-D380 PolarHBondContact OD1-N 3.08Å; N378-V381 HydrophobicContact CB-CG2 4.16Å; N378-V381 WeakPolarHBondContact O-CB 3.47Å; N378-V381 VanDerWaalsContact O-CG2 3.29Å; N378-V381 WeakPolarHBondContact O-CG2 3.44Å; N378-V381 PolarHBondContact O-N 2.81Å
379	A	84.4	Confident	69.6	Low	2 Å²	2	60.1 Å²	60.1	2%	0.017	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-63.3	-24.3	179.2	0	0	0	0	0	113.6	Y106 C107 V381 F382 Y402	Y106-A379 HydrophobicContact CE1-CB 4.07Å; Y106-A379 HydrophobicContact CE2-CB 3.9Å; Y106-A379 VanDerWaalsContact CZ-CB 3.47Å; Y106-A379 WeakPolarHBondContact OH-CB 3.41Å; C107-A379 WeakPolarHBondContact O-CB 3.18Å; C107-A379 PolarHBondContact O-N 3.01Å; A379-V381 PolarHBondContact O-N 2.51Å; A379-V381 VanDerWaalsContact O-N 3.16Å; A379-F382 WeakPolarHBondContact O-CD2 3.47Å; A379-F382 PolarHBondContact O-N 2.82Å; A379-Y402 HydrophobicContact CB-CD2 3.55Å; A379-Y402 HydrophobicContact CB-CE2 4Å; A379-Y402 HydrophobicContact CB-CG 3.92Å
380	D	82.6	Confident	70.5	Confident	42 Å²	42	59.4 Å²	59.4	23%	0.225	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-72.7	-4	178.4	-62.3	-25.1	0	0	0	112.7	S109 N378 F382 H383	S109-D380 WeakPolarHBondContact CA-OD2 3.3Å; S109-D380 WeakPolarHBondContact CB-OD2 3.38Å; S109-D380 PolarHBondContact N-OD2 3.41Å; S109-D380 PolarHBondContact OG-OD2 2.94Å; N378-D380 PolarHBondContact O-N 3.47Å; N378-D380 VanDerWaalsContact OD1-CB 3.28Å; N378-D380 WeakPolarHBondContact OD1-CB 3.3Å; N378-D380 PolarHBondContact OD1-N 3.08Å; D380-F382 VanDerWaalsContact C-N 3.26Å; D380-F382 PolarHBondContact O-N 3.45Å; D380-H383 VanDerWaalsContact CA-CE1 3.47Å; D380-H383 WeakPolarHBondContact CA-CE1 3.21Å; D380-H383 PolarHBondContact O-ND1 2.68Å; D380-H383 IonicContact OD1-CE1 3.71Å
381	V	81.9	Confident	71.8	Confident	33 Å²	33	62.7 Å²	62.7	20%	0.2	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-65.8	-36.5	171	178.5	0	0	0	0	109.5	Y220 H224 N378 A379 H383 N386	Y220-V381 HydrophobicContact CE1-CG1 3.79Å; Y220-V381 VanDerWaalsContact OH-C 3.31Å; Y220-V381 WeakPolarHBondContact OH-CG1 3.47Å; Y220-V381 PolarHBondContact OH-O 2.78Å; H224-V381 HydrophobicContact CB-CG1 4.22Å; N378-V381 HydrophobicContact CB-CG2 4.16Å; N378-V381 WeakPolarHBondContact O-CB 3.47Å; N378-V381 VanDerWaalsContact O-CG2 3.29Å; N378-V381 WeakPolarHBondContact O-CG2 3.44Å; N378-V381 PolarHBondContact O-N 2.81Å; A379-V381 PolarHBondContact O-N 2.51Å; A379-V381 VanDerWaalsContact O-N 3.16Å; V381-H383 PolarHBondContact O-N 2.53Å; V381-N386 PolarHBondContact O-ND2 2.57Å
382	F	84.4	Confident	73.9	Confident	1 Å²	1	64.1 Å²	64.1	0%	0.004	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-76.9	18.9	-173.2	-60.7	-72.4	0	0	0	117.2	L217 Y220 F221 L377 A379 D380 P398 L401 Y402 A405	L217-F382 HydrophobicContact CD1-CE1 3.6Å; L217-F382 HydrophobicContact CD1-CZ 4.31Å; Y220-F382 HydrophobicContact CD1-CD1 4.39Å; Y220-F382 HydrophobicContact CD1-CE1 4.18Å; Y220-F382 AromaticContact CE1-CD1 3.82Å; Y220-F382 HydrophobicContact CE1-CD1 3.82Å; Y220-F382 AromaticContact CE1-CE1 3.95Å; Y220-F382 HydrophobicContact CE1-CE1 3.95Å; F221-F382 HydrophobicContact CD2-CE1 4.46Å; F221-F382 HydrophobicContact CD2-CZ 4.48Å; F221-F382 AromaticContact CE2-CE1 3.45Å; F221-F382 HydrophobicContact CE2-CE1 3.45Å; F221-F382 VanDerWaalsContact CE2-CE1 3.45Å; F221-F382 HydrophobicContact CE2-CE2 4.27Å; F221-F382 AromaticContact CE2-CZ 3.2Å; F221-F382 HydrophobicContact CE2-CZ 3.2Å; F221-F382 HydrophobicContact CZ-CE1 4.13Å; F221-F382 HydrophobicContact CZ-CE2 4.16Å; F221-F382 AromaticContact CZ-CZ 3.4Å; F221-F382 HydrophobicContact CZ-CZ 3.4Å; L377-F382 HydrophobicContact CD1-CE2 4.18Å; L377-F382 HydrophobicContact CD1-CZ 4.49Å; L377-F382 HydrophobicContact CD2-CE2 4.11Å; L377-F382 HydrophobicContact CD2-CZ 4.34Å; L377-F382 HydrophobicContact CG-CE2 4.37Å; A379-F382 WeakPolarHBondContact O-CD2 3.47Å; A379-F382 PolarHBondContact O-N 2.82Å; D380-F382 VanDerWaalsContact C-N 3.26Å; D380-F382 PolarHBondContact O-N 3.45Å; F382-P398 HydrophobicContact CB-CB 3.92Å; F382-L401 HydrophobicContact CB-CB 4.41Å; F382-L401 HydrophobicContact CB-CD1 4.34Å; F382-L401 HydrophobicContact CD1-CB 3.53Å; F382-L401 HydrophobicContact CD1-CD1 3.98Å; F382-L401 HydrophobicContact CD1-CG 4.39Å; F382-L401 HydrophobicContact CE1-CB 3.69Å; F382-L401 HydrophobicContact CG-CB 3.92Å; F382-L401 HydrophobicContact CG-CD1 4.5Å; F382-L401 HydrophobicContact CZ-CB 4.23Å; F382-Y402 HydrophobicContact CE2-CD2 4.15Å; F382-Y402 HydrophobicContact CE2-CG 4.48Å; F382-A405 HydrophobicContact CZ-CB 3.79Å
383	H	80	Confident	76	Confident	91 Å²	91	58.5 Å²	58.5	42%	0.421	31%	0.31	S	S	.	.			trans	-66.5	147.6	174.5	-72.4	96.1	0	0	0	111.5	D380 V381 S385 N386	D380-H383 VanDerWaalsContact CA-CE1 3.47Å; D380-H383 WeakPolarHBondContact CA-CE1 3.21Å; D380-H383 PolarHBondContact O-ND1 2.68Å; D380-H383 IonicContact OD1-CE1 3.71Å; V381-H383 PolarHBondContact O-N 2.53Å; H383-S385 PolarHBondContact O-N 3.19Å; H383-S385 VanDerWaalsContact O-N 3.1Å; H383-N386 PolarHBondContact O-N 3.11Å
384	S	66	Low	77.9	Confident	92 Å²	92	61.9 Å²	61.9	64%	0.643	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-58.3	-28.4	-172.1	54.8	0	0	0	0	114.6	N386 L387	S384-N386 PolarHBondContact O-N 2.89Å; S384-L387 PolarHBondContact O-N 3.4Å
385	S	75.6	Confident	79.4	Confident	82 Å²	82	61.3 Å²	61.3	57%	0.573	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-61.4	-27.3	175.1	54.7	0	0	0	0	113.3	H383	H383-S385 PolarHBondContact O-N 3.19Å; H383-S385 VanDerWaalsContact O-N 3.1Å
386	N	72.9	Confident	81	Confident	64 Å²	64	60.9 Å²	60.9	34%	0.342	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-91.9	-13.7	-175.5	-56.3	-19	0	0	0	112	Y220 V381 H383 S384	Y220-N386 HydrophobicContact CE2-CB 4.17Å; Y220-N386 WeakPolarHBondContact CE2-O 3.47Å; Y220-N386 VanDerWaalsContact OH-CB 3.31Å; Y220-N386 WeakPolarHBondContact OH-CB 3.31Å; V381-N386 PolarHBondContact O-ND2 2.57Å; H383-N386 PolarHBondContact O-N 3.11Å; S384-N386 PolarHBondContact O-N 2.89Å
387	L	80.9	Confident	82.2	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	35%	0.346	C	S	.	.			trans	-95.5	5.2	-175.2	-62	174.9	0	0	0	113.7	Y220 S384 R389 Y390 L393 L401	Y220-L387 HydrophobicContact CD1-CD2 4.33Å; Y220-L387 HydrophobicContact CD2-CD2 4.05Å; Y220-L387 HydrophobicContact CE1-CD2 4.12Å; Y220-L387 HydrophobicContact CE2-CD2 3.84Å; Y220-L387 HydrophobicContact CG-CD2 4.3Å; S384-L387 PolarHBondContact O-N 3.4Å; L387-R389 PolarHBondContact O-N 3.48Å; L387-R389 VanDerWaalsContact O-N 3.15Å; L387-Y390 CarbonylContact O-C 3.58Å; L387-Y390 WeakPolarHBondContact O-CA 3.28Å; L387-Y390 PolarHBondContact O-N 3.19Å; L387-L393 HydrophobicContact CD2-CB 4.23Å; L387-L393 HydrophobicContact CD2-CD1 4.12Å; L387-L401 HydrophobicContact CD1-CD1 3.7Å
388	V	77.8	Confident	82.9	Confident	105 Å²	105	64.6 Å²	64.6	64%	0.636	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.2	-174.7	178.3	0	0	0	0	112.5	Y390	V388-Y390 VanDerWaalsContact C-N 3.27Å; V388-Y390 PolarHBondContact O-N 2.93Å
389	R	78.7	Confident	83.3	Confident	215 Å²	215	64.9 Å²	64.9	81%	0.811	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.9	177.2	-65.2	-175.4	178	-166.3	-3.4	113.9	L387 P391	L387-R389 PolarHBondContact O-N 3.48Å; L387-R389 VanDerWaalsContact O-N 3.15Å; R389-P391 WeakPolarHBondContact O-CD 3.46Å
390	Y	86.1	Confident	83.7	Confident	22 Å²	22	66.4 Å²	66.4	9%	0.086	37%	0.37	C	S	.	.			trans	-126.6	70.3	-173.2	-64.1	-79.2	0	0	0	110.4	D216 H219 Y220 D223 L387 V388 R392 L393 Q394	D216-Y390 HydrophobicContact CB-CD1 3.83Å; D216-Y390 HydrophobicContact CB-CE1 4.49Å; H219-Y390 HydrophobicContact CB-CE1 3.78Å; H219-Y390 WeakPolarHBondContact CB-OH 3.27Å; Y220-Y390 AromaticContact CD2-CD2 3.63Å; Y220-Y390 HydrophobicContact CD2-CD2 3.63Å; Y220-Y390 AromaticContact CD2-CE2 3.68Å; Y220-Y390 HydrophobicContact CD2-CE2 3.68Å; Y220-Y390 HydrophobicContact CG-CD2 4.26Å; Y220-Y390 HydrophobicContact CG-CE2 4.28Å; Y220-Y390 PolarHBondContact N-OH 3.43Å; D223-Y390 PolarHBondContact OD2-OH 3.35Å; L387-Y390 CarbonylContact O-C 3.58Å; L387-Y390 WeakPolarHBondContact O-CA 3.28Å; L387-Y390 PolarHBondContact O-N 3.19Å; V388-Y390 VanDerWaalsContact C-N 3.27Å; V388-Y390 PolarHBondContact O-N 2.93Å; Y390-R392 PolarHBondContact O-N 2.84Å; Y390-R392 VanDerWaalsContact O-N 3.15Å; Y390-L393 HydrophobicContact CG-CD1 4.19Å; Y390-L393 WeakPolarHBondContact O-CB 3.47Å; Y390-L393 PolarHBondContact O-N 2.85Å; Y390-Q394 PolarHBondContact O-N 3.49Å
391	P	85.8	Confident	84.2	Confident	86 Å²	86	64.4 Å²	64.4	56%	0.558	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.7	-172.3	24.3	-34.7	0	0	0	113.6	R389 L393 Q394	R389-P391 WeakPolarHBondContact O-CD 3.46Å; P391-L393 VanDerWaalsContact C-N 3.27Å; P391-L393 PolarHBondContact O-N 2.86Å; P391-Q394 WeakPolarHBondContact O-CB 3.41Å; P391-Q394 PolarHBondContact O-N 3Å
392	R	89.4	Confident	84.6	Confident	132 Å²	132	63.4 Å²	63.4	50%	0.498	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.5	175.1	-71	-175.6	-75.7	-94.2	0.3	113.4	D216 Y390	D216-R392 IonicContact OD1-CZ 2.75Å; D216-R392 IonicContact OD1-NE 3.43Å; D216-R392 IonicContact OD1-NH2 3.46Å; D216-R392 PolarHBondContact OD1-NH2 2.85Å; D216-R392 WeakPolarHBondContact OD2-CB 3.33Å; D216-R392 IonicContact OD2-CZ 3.75Å; D216-R392 IonicContact OD2-NE 3.66Å; D216-R392 PolarHBondContact OD2-NE 3.18Å; D216-R392 IonicContact OD2-NH2 2.79Å; D216-R392 PolarHBondContact OD2-NH2 2.89Å; Y390-R392 PolarHBondContact O-N 2.84Å; Y390-R392 VanDerWaalsContact O-N 3.15Å
393	L	91.4	Very high	85	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-22.9	175.3	-54.2	-176.3	0	0	0	111.3	W209 C213 D216 L217 L387 Y390 P391 T396 L401	W209-L393 HydrophobicContact CH2-CD2 3.78Å; W209-L393 HydrophobicContact CZ3-CD2 4.31Å; C213-L393 HydrophobicContact CB-CD2 4.48Å; C213-L393 WeakPolarHBondContact O-CD2 3.29Å; D216-L393 HydrophobicContact CB-CD1 4.15Å; D216-L393 HydrophobicContact CB-CD2 4.08Å; D216-L393 HydrophobicContact CB-CG 4.02Å; L217-L393 HydrophobicContact CB-CD1 4.4Å; L217-L393 HydrophobicContact CB-CD2 4.2Å; L217-L393 HydrophobicContact CD1-CD1 4.39Å; L387-L393 HydrophobicContact CD2-CB 4.23Å; L387-L393 HydrophobicContact CD2-CD1 4.12Å; Y390-L393 HydrophobicContact CG-CD1 4.19Å; Y390-L393 WeakPolarHBondContact O-CB 3.47Å; Y390-L393 PolarHBondContact O-N 2.85Å; P391-L393 VanDerWaalsContact C-N 3.27Å; P391-L393 PolarHBondContact O-N 2.86Å; L393-T396 WeakPolarHBondContact O-CB 3.47Å; L393-T396 PolarHBondContact O-N 3.01Å; L393-T396 PolarHBondContact O-OG1 2.92Å; L393-L401 HydrophobicContact CB-CD2 4.48Å; L393-L401 HydrophobicContact CD2-CD2 4.29Å
394	Q	87.1	Confident	85.7	Confident	118 Å²	118	61.9 Å²	61.9	55%	0.551	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	136.6	-178.5	-162.8	176.5	10.7	0	0	111.2	Y390 P391 T396	Y390-Q394 PolarHBondContact O-N 3.49Å; P391-Q394 WeakPolarHBondContact O-CB 3.41Å; P391-Q394 PolarHBondContact O-N 3Å; Q394-T396 VanDerWaalsContact C-N 3.27Å; Q394-T396 PolarHBondContact O-N 2.83Å
395	G	85.4	Confident	86.9	Confident	80 Å²	80	57.6 Å²	57.6	83%	0.825	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-9.8	-176.9	0	0	0	0	0	114.4
396	T	91	Very high	87.6	Confident	25 Å²	25	55.3 Å²	55.3	15%	0.153	29%	0.293	C	S	.	.	S	Bend	trans	-80	131.2	169	-56.4	0	0	0	0	109.9	W209 L393 Q394 I400 L401	W209-T396 HydrophobicContact CZ3-CG2 4.16Å; L393-T396 WeakPolarHBondContact O-CB 3.47Å; L393-T396 PolarHBondContact O-N 3.01Å; L393-T396 PolarHBondContact O-OG1 2.92Å; Q394-T396 VanDerWaalsContact C-N 3.27Å; Q394-T396 PolarHBondContact O-N 2.83Å; T396-I400 HydrophobicContact CG2-CB 3.97Å; T396-I400 HydrophobicContact CG2-CG2 3.85Å; T396-L401 HydrophobicContact CG2-CD2 3.75Å; T396-L401 HydrophobicContact CG2-CG 3.9Å
397	P	90.5	Very high	88.6	Confident	69 Å²	69	52.2 Å²	52.2	45%	0.448	28%	0.277	S	S	.	.			trans	-54.7	135.7	175.2	-28.4	34.3	0	0	0	113.1	D399 I400 L401	P397-D399 VanDerWaalsContact C-N 3.26Å; P397-D399 PolarHBondContact O-N 3.24Å; P397-I400 HydrophobicContact CB-CD1 4.13Å; P397-I400 HydrophobicContact CB-CG1 4.29Å; P397-I400 HydrophobicContact CG-CD1 3.91Å; P397-I400 WeakPolarHBondContact O-CB 3.25Å; P397-I400 PolarHBondContact O-N 2.86Å; P397-L401 PolarHBondContact O-N 3.49Å
398	P	89.2	Confident	89.3	Confident	56 Å²	56	52.1 Å²	52.1	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-52.7	-39.2	-179.7	-30.4	36.5	0	0	0	114.3	F382 I400 L401 Y402	F382-P398 HydrophobicContact CB-CB 3.92Å; P398-I400 VanDerWaalsContact C-N 3.26Å; P398-I400 PolarHBondContact O-N 3.15Å; P398-L401 PolarHBondContact O-N 2.69Å; P398-Y402 WeakPolarHBondContact O-CB 3.5Å; P398-Y402 PolarHBondContact O-N 2.95Å
399	D	88.7	Confident	89.8	Confident	43 Å²	43	51.1 Å²	51.1	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-57.2	-37	175.8	-84.1	-46	0	0	0	113.3	H78 Y106 P397 R403	H78-D399 IonicContact CE1-OD1 2.76Å; H78-D399 PolarHBondContact CE1-OD1 3.3Å; H78-D399 IonicContact CE1-OD2 3.98Å; H78-D399 PolarHBondContact CE1-OD2 3.4Å; H78-D399 IonicContact NE2-OD1 3.68Å; H78-D399 PolarHBondContact NE2-OD1 3.46Å; H78-D399 IonicContact NE2-OD2 2.93Å; Y106-D399 VanDerWaalsContact CE2-OD1 3.3Å; Y106-D399 WeakPolarHBondContact CE2-OD1 3.36Å; Y106-D399 PolarHBondContact OH-OD1 2.83Å; P397-D399 VanDerWaalsContact C-N 3.26Å; P397-D399 PolarHBondContact O-N 3.24Å; D399-R403 VanDerWaalsContact O-CG 3.26Å; D399-R403 WeakPolarHBondContact O-CG 3.38Å; D399-R403 PolarHBondContact O-N 2.96Å; D399-R403 VanDerWaalsContact O-N 3.13Å
400	I	92.4	Very high	90.5	Very high	33 Å²	33	42.6 Å²	42.6	17%	0.169	23%	0.233	C	C	.	.	H	α-helix	trans	-74	-43.3	-179.9	-66.3	173.9	0	0	0	109.4	Y204 P206 T396 P397 P398 Y402 R403 R404	Y204-I400 HydrophobicContact CD1-CD1 4.45Å; Y204-I400 HydrophobicContact CE1-CD1 3.97Å; P206-I400 HydrophobicContact CG-CG2 3.92Å; T396-I400 HydrophobicContact CG2-CB 3.97Å; T396-I400 HydrophobicContact CG2-CG2 3.85Å; P397-I400 HydrophobicContact CB-CD1 4.13Å; P397-I400 HydrophobicContact CB-CG1 4.29Å; P397-I400 HydrophobicContact CG-CD1 3.91Å; P397-I400 WeakPolarHBondContact O-CB 3.25Å; P397-I400 PolarHBondContact O-N 2.86Å; P398-I400 VanDerWaalsContact C-N 3.26Å; P398-I400 PolarHBondContact O-N 3.15Å; I400-Y402 VanDerWaalsContact C-N 3.34Å; I400-Y402 PolarHBondContact O-N 2.89Å; I400-R403 PolarHBondContact O-N 3.43Å; I400-R404 WeakPolarHBondContact O-CB 3.44Å; I400-R404 PolarHBondContact O-N 3.49Å
401	L	92.4	Very high	90.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175.4	-62.9	177.3	0	0	0	111.2	W209 F382 L387 L393 T396 P397 P398 R404 A405	W209-L401 HydrophobicContact CH2-CD2 3.61Å; W209-L401 HydrophobicContact CZ3-CD2 3.81Å; F382-L401 HydrophobicContact CB-CB 4.41Å; F382-L401 HydrophobicContact CB-CD1 4.34Å; F382-L401 HydrophobicContact CD1-CB 3.53Å; F382-L401 HydrophobicContact CD1-CD1 3.98Å; F382-L401 HydrophobicContact CD1-CG 4.39Å; F382-L401 HydrophobicContact CE1-CB 3.69Å; F382-L401 HydrophobicContact CG-CB 3.92Å; F382-L401 HydrophobicContact CG-CD1 4.5Å; F382-L401 HydrophobicContact CZ-CB 4.23Å; L387-L401 HydrophobicContact CD1-CD1 3.7Å; L393-L401 HydrophobicContact CB-CD2 4.48Å; L393-L401 HydrophobicContact CD2-CD2 4.29Å; T396-L401 HydrophobicContact CG2-CD2 3.75Å; T396-L401 HydrophobicContact CG2-CG 3.9Å; P397-L401 PolarHBondContact O-N 3.49Å; P398-L401 PolarHBondContact O-N 2.69Å; L401-R404 PolarHBondContact O-N 3.37Å; L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.47Å; L401-A405 PolarHBondContact O-N 2.97Å
402	Y	91.1	Very high	91.1	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-51.2	175.4	172.7	-98.4	0	0	0	112.4	Y106 C107 L377 A379 F382 P398 I400 A405 L406	Y106-Y402 HydrophobicContact CD2-CD1 4.01Å; Y106-Y402 AromaticContact CD2-CE1 3.76Å; Y106-Y402 HydrophobicContact CD2-CE1 3.76Å; Y106-Y402 AromaticContact CE2-CD1 3.97Å; Y106-Y402 HydrophobicContact CE2-CD1 3.97Å; Y106-Y402 HydrophobicContact CE2-CE1 4.16Å; Y106-Y402 HydrophobicContact CE2-CG 4.44Å; C107-Y402 PolarHBondContact N-OH 2.69Å; L377-Y402 HydrophobicContact CB-CE2 4.18Å; L377-Y402 HydrophobicContact CD2-CD2 3.64Å; L377-Y402 HydrophobicContact CD2-CE2 3.87Å; L377-Y402 HydrophobicContact CD2-CG 4.49Å; L377-Y402 HydrophobicContact CG-CD2 3.8Å; L377-Y402 HydrophobicContact CG-CE2 3.79Å; L377-Y402 WeakPolarHBondContact O-CE2 3.46Å; A379-Y402 HydrophobicContact CB-CD2 3.55Å; A379-Y402 HydrophobicContact CB-CE2 4Å; A379-Y402 HydrophobicContact CB-CG 3.92Å; F382-Y402 HydrophobicContact CE2-CD2 4.15Å; F382-Y402 HydrophobicContact CE2-CG 4.48Å; P398-Y402 WeakPolarHBondContact O-CB 3.5Å; P398-Y402 PolarHBondContact O-N 2.95Å; I400-Y402 VanDerWaalsContact C-N 3.34Å; I400-Y402 PolarHBondContact O-N 2.89Å; Y402-A405 PolarHBondContact O-N 3.15Å; Y402-L406 WeakPolarHBondContact O-CB 3.31Å; Y402-L406 PolarHBondContact O-N 3.43Å
403	R	92.5	Very high	91	Very high	56 Å²	56	33.8 Å²	33.8	21%	0.211	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-42.9	179.8	-72.2	174.6	-165.8	142.9	13.4	112	L202 D399 I400 A405 L406 V407	L202-R403 HydrophobicContact CD2-CB 3.99Å; L202-R403 HydrophobicContact CD2-CG 4.11Å; D399-R403 VanDerWaalsContact O-CG 3.26Å; D399-R403 WeakPolarHBondContact O-CG 3.38Å; D399-R403 PolarHBondContact O-N 2.96Å; D399-R403 VanDerWaalsContact O-N 3.13Å; I400-R403 PolarHBondContact O-N 3.43Å; R403-A405 VanDerWaalsContact C-N 3.32Å; R403-A405 PolarHBondContact O-N 3.1Å; R403-L406 PolarHBondContact O-N 2.9Å; R403-V407 WeakPolarHBondContact O-CG2 3.26Å; R403-V407 PolarHBondContact O-N 3.4Å; R403-V407 VanDerWaalsContact O-N 3.12Å
404	R	94.3	Very high	90.9	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-43.5	177.9	-169.9	64.6	175.2	-178.3	-2.5	110.7	V205 W209 D214 L217 I400 L401 V407 I408	V205-R404 VanDerWaalsContact CG2-NH1 3.3Å; W209-R404 HydrophobicContact CZ2-CG 3.91Å; D214-R404 IonicContact OD1-CZ 2.96Å; D214-R404 IonicContact OD1-NE 3.82Å; D214-R404 PolarHBondContact OD1-NE 3.38Å; D214-R404 IonicContact OD1-NH2 3.5Å; D214-R404 PolarHBondContact OD1-NH2 2.76Å; D214-R404 IonicContact OD2-CZ 2.8Å; D214-R404 IonicContact OD2-NE 2.77Å; D214-R404 IonicContact OD2-NH2 3.58Å; D214-R404 PolarHBondContact OD2-NH2 3.09Å; L217-R404 HydrophobicContact CD2-CB 3.93Å; L217-R404 HydrophobicContact CD2-CG 3.81Å; I400-R404 WeakPolarHBondContact O-CB 3.44Å; I400-R404 PolarHBondContact O-N 3.49Å; L401-R404 PolarHBondContact O-N 3.37Å; R404-V407 WeakPolarHBondContact O-CB 3.34Å; R404-V407 PolarHBondContact O-N 3.19Å; R404-I408 WeakPolarHBondContact O-CG1 3.45Å; R404-I408 PolarHBondContact O-N 3.24Å
405	A	91.8	Very high	90.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-36	177.2	0	0	0	0	0	113.6	L217 F221 L377 F382 L401 Y402 R403 V407 I408 Q409	L217-A405 HydrophobicContact CD1-CB 4.35Å; L217-A405 HydrophobicContact CD2-CB 4.12Å; L217-A405 HydrophobicContact CG-CB 4.31Å; F221-A405 HydrophobicContact CD1-CB 4.47Å; F221-A405 HydrophobicContact CD2-CB 4.34Å; F221-A405 HydrophobicContact CE1-CB 3.61Å; F221-A405 HydrophobicContact CE2-CB 3.5Å; F221-A405 HydrophobicContact CZ-CB 3.08Å; L377-A405 HydrophobicContact CD2-CB 3.85Å; F382-A405 HydrophobicContact CZ-CB 3.79Å; L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.47Å; L401-A405 PolarHBondContact O-N 2.97Å; Y402-A405 PolarHBondContact O-N 3.15Å; R403-A405 VanDerWaalsContact C-N 3.32Å; R403-A405 PolarHBondContact O-N 3.1Å; A405-V407 VanDerWaalsContact C-N 3.28Å; A405-V407 PolarHBondContact O-N 3.4Å; A405-I408 PolarHBondContact O-N 3.45Å; A405-Q409 WeakPolarHBondContact O-CB 3.37Å; A405-Q409 PolarHBondContact O-N 3.35Å
406	L	90.1	Very high	90.9	Very high	34 Å²	34	25.3 Å²	25.3	18%	0.178	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-41.6	172.6	-175.4	67.4	0	0	0	111.1	L202 Y402 R403 Q409 R410	L202-L406 HydrophobicContact CD2-CD2 4.03Å; Y402-L406 WeakPolarHBondContact O-CB 3.31Å; Y402-L406 PolarHBondContact O-N 3.43Å; R403-L406 PolarHBondContact O-N 2.9Å; L406-Q409 PolarHBondContact O-N 3Å; L406-R410 WeakPolarHBondContact O-CG 3.12Å; L406-R410 PolarHBondContact O-N 3.41Å
407	V	94.8	Very high	90.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-41.7	175.4	175.2	0	0	0	0	111.3	I30 L34 L202 R403 R404 A405 R410 F411	I30-V407 HydrophobicContact CB-CG1 4.16Å; I30-V407 HydrophobicContact CG1-CG1 3.9Å; I30-V407 HydrophobicContact CG2-CG1 3.97Å; L34-V407 HydrophobicContact CD2-CG1 3.91Å; L202-V407 HydrophobicContact CB-CG2 3.99Å; L202-V407 HydrophobicContact CD2-CG2 4.21Å; R403-V407 WeakPolarHBondContact O-CG2 3.26Å; R403-V407 PolarHBondContact O-N 3.4Å; R403-V407 VanDerWaalsContact O-N 3.12Å; R404-V407 WeakPolarHBondContact O-CB 3.34Å; R404-V407 PolarHBondContact O-N 3.19Å; A405-V407 VanDerWaalsContact C-N 3.28Å; A405-V407 PolarHBondContact O-N 3.4Å; V407-R410 PolarHBondContact O-N 3.15Å; V407-F411 PolarHBondContact O-N 3.02Å
408	I	94.8	Very high	90.1	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-45.3	173.3	-67.2	171.1	0	0	0	110.3	F24 D214 L217 V218 R404 A405 R410 F411 I412 F442 L445	F24-I408 HydrophobicContact CE1-CG1 3.91Å; F24-I408 HydrophobicContact CZ-CG1 4.04Å; D214-I408 HydrophobicContact CB-CD1 4.35Å; L217-I408 HydrophobicContact CD2-CD1 3.9Å; L217-I408 HydrophobicContact CG-CD1 4.35Å; V218-I408 HydrophobicContact CG2-CD1 4.27Å; V218-I408 HydrophobicContact CG2-CG2 3.9Å; R404-I408 WeakPolarHBondContact O-CG1 3.45Å; R404-I408 PolarHBondContact O-N 3.24Å; A405-I408 PolarHBondContact O-N 3.45Å; I408-R410 VanDerWaalsContact C-N 3.34Å; I408-R410 PolarHBondContact O-N 3.2Å; I408-F411 WeakPolarHBondContact O-CA 3.24Å; I408-F411 WeakPolarHBondContact O-CB 2.91Å; I408-F411 PolarHBondContact O-N 3.31Å; I408-F411 VanDerWaalsContact O-N 3.1Å; I408-I412 HydrophobicContact CG2-CG1 4.23Å; I408-I412 VanDerWaalsContact O-CG1 3.3Å; I408-I412 WeakPolarHBondContact O-CG1 3.4Å; I408-I412 PolarHBondContact O-N 2.83Å; I408-F442 HydrophobicContact CD1-CE1 4.41Å; I408-F442 HydrophobicContact CG1-CE1 4.21Å; I408-F442 HydrophobicContact CG2-CD1 4.14Å; I408-F442 HydrophobicContact CG2-CE1 4.26Å; I408-L445 HydrophobicContact CG2-CD1 3.96Å
409	Q	89.1	Confident	89.7	Confident	85 Å²	85	22 Å²	22	40%	0.397	11%	0.11	S	C	.	.	H	α-helix	trans	-61.1	-40.5	178.2	-168.9	-179.1	7.7	0	0	112.2	A405 L406 I412 S413	A405-Q409 WeakPolarHBondContact O-CB 3.37Å; A405-Q409 PolarHBondContact O-N 3.35Å; L406-Q409 PolarHBondContact O-N 3Å; Q409-I412 PolarHBondContact O-N 3.1Å; Q409-S413 WeakPolarHBondContact O-CB 3.47Å; Q409-S413 PolarHBondContact O-N 2.79Å
410	R	92	Very high	89.3	Confident	35 Å²	35	22.5 Å²	22.5	13%	0.132	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-43.3	172.5	-69.8	-176.9	178.2	-167.3	-2.3	111.7	L34 Y36 W173 L406 V407 I408 S413 L414	L34-R410 HydrophobicContact CD1-CB 3.85Å; L34-R410 HydrophobicContact CG-CB 4.06Å; L34-R410 VanDerWaalsContact O-CD 3.24Å; L34-R410 WeakPolarHBondContact O-CD 3.44Å; L34-R410 PolarHBondContact O-NH1 2.97Å; Y36-R410 PolarHBondContact O-NH1 3.09Å; W173-R410 VanDerWaalsContact CD1-CZ 3.42Å; W173-R410 HydrophobicContact CD2-CB 4.38Å; W173-R410 HydrophobicContact CD2-CG 4.11Å; W173-R410 HydrophobicContact CE3-CB 4.36Å; W173-R410 HydrophobicContact CH2-CB 3.71Å; W173-R410 HydrophobicContact CH2-CG 4.15Å; W173-R410 WeakPolarHBondContact CH2-O 3.46Å; W173-R410 HydrophobicContact CZ2-CB 3.72Å; W173-R410 HydrophobicContact CZ2-CG 3.63Å; W173-R410 HydrophobicContact CZ3-CB 4.04Å; L406-R410 WeakPolarHBondContact O-CG 3.12Å; L406-R410 PolarHBondContact O-N 3.41Å; V407-R410 PolarHBondContact O-N 3.15Å; I408-R410 VanDerWaalsContact C-N 3.34Å; I408-R410 PolarHBondContact O-N 3.2Å; R410-S413 PolarHBondContact O-N 2.88Å; R410-L414 PolarHBondContact O-N 2.86Å; R410-L414 VanDerWaalsContact O-N 3.14Å
411	F	95.2	Very high	88.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.1	-47	174.8	169.1	-99.1	0	0	0	111.8	L17 C20 I21 F24 L34 V407 I408 S413 L414 L415 I439 F442	L17-F411 HydrophobicContact CB-CE2 4.46Å; L17-F411 HydrophobicContact CD2-CD2 3.62Å; L17-F411 HydrophobicContact CD2-CE2 3.45Å; L17-F411 VanDerWaalsContact CD2-CE2 3.45Å; L17-F411 HydrophobicContact CD2-CZ 4.26Å; C20-F411 HydrophobicContact CB-CD2 3.76Å; C20-F411 HydrophobicContact CB-CE2 3.85Å; I21-F411 HydrophobicContact CD1-CZ 4.4Å; I21-F411 HydrophobicContact CG1-CE2 4.01Å; I21-F411 HydrophobicContact CG1-CZ 3.79Å; F24-F411 HydrophobicContact CE2-CB 4.2Å; F24-F411 HydrophobicContact CE2-CD1 4.12Å; F24-F411 AromaticContact CE2-CD2 3.96Å; F24-F411 HydrophobicContact CE2-CD2 3.96Å; F24-F411 HydrophobicContact CE2-CE2 4.36Å; F24-F411 AromaticContact CE2-CG 3.82Å; F24-F411 HydrophobicContact CE2-CG 3.82Å; F24-F411 HydrophobicContact CZ-CB 4.41Å; F24-F411 HydrophobicContact CZ-CG 4.46Å; L34-F411 HydrophobicContact CD2-CB 3.95Å; V407-F411 PolarHBondContact O-N 3.02Å; I408-F411 WeakPolarHBondContact O-CA 3.24Å; I408-F411 WeakPolarHBondContact O-CB 2.91Å; I408-F411 PolarHBondContact O-N 3.31Å; I408-F411 VanDerWaalsContact O-N 3.1Å; F411-S413 PolarHBondContact O-N 2.67Å; F411-L414 PolarHBondContact O-N 2.91Å; F411-L415 HydrophobicContact CE1-CD2 4.25Å; F411-L415 PolarHBondContact O-N 3.03Å; F411-I439 HydrophobicContact CE1-CD1 4.21Å; F411-I439 HydrophobicContact CZ-CD1 3.89Å; F411-F442 HydrophobicContact CD1-CD1 4.09Å; F411-F442 AromaticContact CE1-CD1 3.98Å; F411-F442 HydrophobicContact CE1-CD1 3.98Å
412	I	90.8	Very high	87.7	Confident	7 Å²	7	26.7 Å²	26.7	4%	0.036	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-40.3	177.8	-64.3	-61.8	0	0	0	111.6	I408 Q409 L414 L415 D416 F442 L445	I408-I412 HydrophobicContact CG2-CG1 4.23Å; I408-I412 VanDerWaalsContact O-CG1 3.3Å; I408-I412 WeakPolarHBondContact O-CG1 3.4Å; I408-I412 PolarHBondContact O-N 2.83Å; Q409-I412 PolarHBondContact O-N 3.1Å; I412-L414 VanDerWaalsContact C-N 3.32Å; I412-L414 PolarHBondContact O-N 3.07Å; I412-L415 HydrophobicContact CD1-CD2 4.33Å; I412-L415 CarbonylContact O-C 3.54Å; I412-L415 WeakPolarHBondContact O-CB 3.45Å; I412-L415 PolarHBondContact O-N 2.78Å; I412-L415 VanDerWaalsContact O-N 3.09Å; I412-D416 PolarHBondContact O-N 3.35Å; I412-F442 HydrophobicContact CD1-CB 4Å; I412-F442 WeakPolarHBondContact CD1-O 3.43Å; I412-L445 HydrophobicContact CD1-CB 4.32Å; I412-L445 HydrophobicContact CG1-CB 4.01Å; I412-L445 HydrophobicContact CG1-CD1 4.44Å; I412-L445 HydrophobicContact CG2-CB 4.18Å; I412-L445 WeakPolarHBondContact CG2-O 3.46Å
413	S	85.7	Confident	86.7	Confident	49 Å²	49	26.8 Å²	26.8	34%	0.343	14%	0.137	S	C	.	.	H	α-helix	trans	-59.1	-41.9	175.4	178.1	0	0	0	0	112.3	Q409 R410 F411 N417	Q409-S413 WeakPolarHBondContact O-CB 3.47Å; Q409-S413 PolarHBondContact O-N 2.79Å; R410-S413 PolarHBondContact O-N 2.88Å; F411-S413 PolarHBondContact O-N 2.67Å; S413-N417 PolarHBondContact O-N 3.01Å; S413-N417 PolarHBondContact O-ND2 2.86Å
414	L	89.4	Confident	85.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.7	-41.2	172.4	-71.7	179.7	0	0	0	112.3	F16 L17 L34 W173 V177 R410 F411 I412 N417 V418	F16-L414 HydrophobicContact CD1-CD1 3.84Å; F16-L414 HydrophobicContact CE1-CD1 3.82Å; L17-L414 HydrophobicContact CD2-CB 3.88Å; L34-L414 HydrophobicContact CD1-CD1 3.65Å; L34-L414 HydrophobicContact CD1-CG 4.47Å; W173-L414 HydrophobicContact CH2-CD2 4.2Å; W173-L414 HydrophobicContact CH2-CG 3.88Å; W173-L414 HydrophobicContact CZ3-CD1 3.8Å; W173-L414 HydrophobicContact CZ3-CD2 3.89Å; W173-L414 HydrophobicContact CZ3-CG 3.59Å; V177-L414 HydrophobicContact CG1-CD1 3.92Å; V177-L414 HydrophobicContact CG2-CD1 4.28Å; R410-L414 PolarHBondContact O-N 2.86Å; R410-L414 VanDerWaalsContact O-N 3.14Å; F411-L414 PolarHBondContact O-N 2.91Å; I412-L414 VanDerWaalsContact C-N 3.32Å; I412-L414 PolarHBondContact O-N 3.07Å; L414-N417 PolarHBondContact O-N 3.2Å; L414-V418 WeakPolarHBondContact O-CG2 3.32Å; L414-V418 PolarHBondContact O-N 2.82Å
415	L	88.6	Confident	83.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-46	179.2	-177.5	59.9	0	0	0	111.2	L17 F411 I412 N417 V418 L419 I439 L443	L17-L415 HydrophobicContact CD1-CD1 4.21Å; L17-L415 HydrophobicContact CD2-CB 4.37Å; F411-L415 HydrophobicContact CE1-CD2 4.25Å; F411-L415 PolarHBondContact O-N 3.03Å; I412-L415 HydrophobicContact CD1-CD2 4.33Å; I412-L415 CarbonylContact O-C 3.54Å; I412-L415 WeakPolarHBondContact O-CB 3.45Å; I412-L415 PolarHBondContact O-N 2.78Å; I412-L415 VanDerWaalsContact O-N 3.09Å; L415-N417 PolarHBondContact O-N 2.84Å; L415-V418 CarbonylContact O-C 3.59Å; L415-V418 PolarHBondContact O-N 2.86Å; L415-L419 HydrophobicContact CD1-CD1 4.39Å; L415-L419 WeakPolarHBondContact O-CB 3.36Å; L415-L419 PolarHBondContact O-N 3.38Å; L415-I439 HydrophobicContact CD2-CD1 3.91Å; L415-L443 HydrophobicContact CD2-CD2 3.65Å
416	D	84.8	Confident	81.6	Confident	19 Å²	19	33.1 Å²	33.1	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-33.8	177.8	-91.4	-28.7	0	0	0	112.6	I412 V418 P420 S446 K447 R448	I412-D416 PolarHBondContact O-N 3.35Å; D416-V418 VanDerWaalsContact C-N 3.25Å; D416-V418 PolarHBondContact O-N 2.88Å; D416-P420 WeakPolarHBondContact O-CD 3.46Å; D416-S446 WeakPolarHBondContact OD1-CA 3.33Å; D416-S446 WeakPolarHBondContact OD1-CB 3.09Å; D416-S446 PolarHBondContact OD1-OG 3.18Å; D416-S446 VanDerWaalsContact OD1-OG 3.11Å; D416-K447 PolarHBondContact OD1-N 2.89Å; D416-K447 VanDerWaalsContact OD1-N 3.12Å; D416-K447 PolarHBondContact OD2-N 3.33Å; D416-R448 HydrophobicContact CB-CG 4.05Å; D416-R448 PolarHBondContact OD1-N 2.95Å; D416-R448 VanDerWaalsContact OD1-N 3.11Å
417	N	82.6	Confident	79.5	Confident	81 Å²	81	37.3 Å²	37.3	43%	0.433	20%	0.202	S	C	.	.	H	α-helix	trans	-72.1	-19.4	176.8	-72.3	-49.3	0	0	0	113.6	S413 L414 L415	S413-N417 PolarHBondContact O-N 3.01Å; S413-N417 PolarHBondContact O-ND2 2.86Å; L414-N417 PolarHBondContact O-N 3.2Å; L415-N417 PolarHBondContact O-N 2.84Å
418	V	82.1	Confident	77	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-111.4	-28	-171.9	179	0	0	0	0	110.9	L10 R13 I14 L17 L414 L415 D416 P420 H421 L422	L10-V418 HydrophobicContact CD1-CB 4.39Å; L10-V418 HydrophobicContact CD1-CG1 3.98Å; L10-V418 HydrophobicContact CD1-CG2 4.12Å; R13-V418 HydrophobicContact CB-CG2 3.88Å; I14-V418 HydrophobicContact CD1-CG1 4Å; I14-V418 HydrophobicContact CG1-CG1 3.34Å; L17-V418 HydrophobicContact CD1-CB 4.13Å; L17-V418 HydrophobicContact CD1-CG1 4.32Å; L17-V418 HydrophobicContact CD1-CG2 4.11Å; L414-V418 WeakPolarHBondContact O-CG2 3.32Å; L414-V418 PolarHBondContact O-N 2.82Å; L415-V418 CarbonylContact O-C 3.59Å; L415-V418 PolarHBondContact O-N 2.86Å; D416-V418 VanDerWaalsContact C-N 3.25Å; D416-V418 PolarHBondContact O-N 2.88Å; V418-P420 VanDerWaalsContact C-CD 3.47Å; V418-H421 WeakPolarHBondContact O-CA 3.22Å; V418-H421 WeakPolarHBondContact O-CB 3.32Å; V418-H421 PolarHBondContact O-N 3.19Å; V418-L422 HydrophobicContact CG1-CD1 3.76Å; V418-L422 HydrophobicContact CG1-CD2 4.11Å; V418-L422 HydrophobicContact CG1-CG 3.76Å; V418-L422 PolarHBondContact O-N 3.31Å
419	L	81.3	Confident	74.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-52.5	-43.7	-174.9	-164.1	66.5	0	0	0	114.1	L415 H421 L422 V423 I436 L443 R449 L452 L728	L415-L419 HydrophobicContact CD1-CD1 4.39Å; L415-L419 WeakPolarHBondContact O-CB 3.36Å; L415-L419 PolarHBondContact O-N 3.38Å; L419-H421 PolarHBondContact O-N 3.23Å; L419-L422 PolarHBondContact O-N 2.97Å; L419-L422 VanDerWaalsContact O-N 3.08Å; L419-V423 HydrophobicContact CD1-CG2 4.28Å; L419-V423 PolarHBondContact O-N 2.78Å; L419-V423 VanDerWaalsContact O-N 3.12Å; L419-I436 HydrophobicContact CD1-CD1 3.75Å; L419-L443 HydrophobicContact CD1-CD2 4.42Å; L419-R449 HydrophobicContact CD2-CB 4.45Å; L419-L452 HydrophobicContact CB-CD1 4.2Å; L419-L452 HydrophobicContact CD2-CD1 3.75Å; L419-L452 HydrophobicContact CG-CD1 3.66Å; L419-L728 HydrophobicContact CD1-CD2 3.96Å; L419-L728 HydrophobicContact CD2-CD2 4.01Å; L419-L728 HydrophobicContact CG-CD2 4.21Å
420	P	79.4	Confident	72.4	Confident	53 Å²	53	51.1 Å²	51.1	34%	0.344	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-23.8	176.9	-22.8	35.1	0	0	0	114.1	D416 V418 L452	D416-P420 WeakPolarHBondContact O-CD 3.46Å; V418-P420 VanDerWaalsContact C-CD 3.47Å; P420-L452 HydrophobicContact CB-CD2 4.28Å; P420-L452 HydrophobicContact CG-CD1 4.46Å
421	H	77.5	Confident	70.3	Confident	97 Å²	97	52 Å²	52	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-89.9	-21	177.4	-54.3	-71.8	0	0	0	112.9	L10 V418 L419	L10-H421 HydrophobicContact CD1-CB 4.19Å; L10-H421 HydrophobicContact CD2-CB 3.97Å; V418-H421 WeakPolarHBondContact O-CA 3.22Å; V418-H421 WeakPolarHBondContact O-CB 3.32Å; V418-H421 PolarHBondContact O-N 3.19Å; L419-H421 PolarHBondContact O-N 3.23Å
422	L	74.7	Confident	68.1	Low	24 Å²	24	56.9 Å²	56.9	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-84.4	-28	178.6	-64.9	178.2	0	0	0	112.6	I14 V418 L419 P424 F433	I14-L422 HydrophobicContact CD1-CD2 3.72Å; I14-L422 HydrophobicContact CG1-CD2 3.98Å; V418-L422 HydrophobicContact CG1-CD1 3.76Å; V418-L422 HydrophobicContact CG1-CD2 4.11Å; V418-L422 HydrophobicContact CG1-CG 3.76Å; V418-L422 PolarHBondContact O-N 3.31Å; L419-L422 PolarHBondContact O-N 2.97Å; L419-L422 VanDerWaalsContact O-N 3.08Å; L422-P424 WeakPolarHBondContact O-CD 3.28Å; L422-F433 HydrophobicContact CD1-CB 4.31Å; L422-F433 HydrophobicContact CD1-CD1 3.64Å; L422-F433 HydrophobicContact CD1-CD2 4.19Å; L422-F433 HydrophobicContact CD1-CE1 3.94Å; L422-F433 HydrophobicContact CD1-CE2 4.41Å; L422-F433 HydrophobicContact CD1-CG 3.79Å; L422-F433 HydrophobicContact CD1-CZ 4.31Å; L422-F433 HydrophobicContact CD2-CB 3.85Å; L422-F433 HydrophobicContact CD2-CD2 4.2Å; L422-F433 HydrophobicContact CD2-CG 4.01Å; L422-F433 HydrophobicContact CG-CB 4.45Å; L422-F433 HydrophobicContact CG-CG 4.41Å
423	V	69.7	Low	66.8	Low	14 Å²	14	57.3 Å²	57.3	9%	0.085	32%	0.324	C	S	.	.	S	Bend	trans	-114.8	71.6	-179.4	-169	0	0	0	0	107.7	L419 A724 L728	L419-V423 HydrophobicContact CD1-CG2 4.28Å; L419-V423 PolarHBondContact O-N 2.78Å; L419-V423 VanDerWaalsContact O-N 3.12Å; V423-A724 HydrophobicContact CG1-CB 3.26Å; V423-L728 HydrophobicContact CG1-CD1 4.14Å; V423-L728 HydrophobicContact CG2-CD1 4.49Å; V423-L728 HydrophobicContact CG2-CD2 4.22Å; V423-L728 HydrophobicContact CG2-CG 4.37Å
424	P	59.8	Low	66	Low	42 Å²	42	59.9 Å²	59.9	27%	0.273	33%	0.334	S	S	.	.			trans	-63.9	161.8	177.8	30.2	-37.7	0	0	0	110.7	L422 Y428	L422-P424 WeakPolarHBondContact O-CD 3.28Å; P424-Y428 WeakPolarHBondContact CG-O 3.49Å
425	A	55.5	Low	65.3	Low	63 Å²	63	62.1 Å²	62.1	52%	0.521	34%	0.344	S	S	.	.			trans	-46.6	151.5	172.5	0	0	0	0	0	111.9	D427 Y428	A425-D427 PolarHBondContact O-N 2.78Å; A425-Y428 PolarHBondContact O-N 2.84Å
426	W	55.9	Low	64.9	Low	91 Å²	91	62.4 Å²	62.4	35%	0.345	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-31.5	-28	-170.8	170.6	-99	0	0	0	118.1	P722	W426-P722 HydrophobicContact CE3-CB 3.46Å; W426-P722 VanDerWaalsContact CE3-CB 3.46Å; W426-P722 HydrophobicContact CE3-CG 3.41Å; W426-P722 VanDerWaalsContact CE3-CG 3.41Å; W426-P722 HydrophobicContact CZ3-CB 3.5Å; W426-P722 HydrophobicContact CZ3-CG 3.39Å
427	D	45.4	Very low	64.7	Low	121 Å²	121	64.3 Å²	64.3	65%	0.647	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-18	-170	-73.2	-24.9	0	0	0	116	A425	A425-D427 PolarHBondContact O-N 2.78Å
428	Y	43.5	Very low	64.8	Low	180 Å²	180	61.3 Å²	61.3	71%	0.706	34%	0.339	S	S	*	.			trans	-151.3	88.2	-179.3	-64.8	-82.1	0	0	0	112.5	P424 A425 L430	P424-Y428 WeakPolarHBondContact CG-O 3.49Å; A425-Y428 PolarHBondContact O-N 2.84Å; Y428-L430 PolarHBondContact O-N 3.47Å
429	S	43.6	Very low	65.1	Low	85 Å²	85	61.3 Å²	61.3	59%	0.594	34%	0.339	S	S	*	.			trans	-65.4	96.4	155.6	58.4	0	0	0	0	107.6	G431	S429-G431 PolarHBondContact O-N 3.17Å
430	L	43	Very low	65.5	Low	113 Å²	113	61.4 Å²	61.4	59%	0.592	34%	0.339	S	S	*	.			trans	-56	114.1	157.6	-66.5	166.7	0	0	0	103.9	Y428 T432	Y428-L430 PolarHBondContact O-N 3.47Å; L430-T432 HydrophobicContact CB-CG2 4.29Å; L430-T432 WeakPolarHBondContact CB-OG1 3.38Å; L430-T432 PolarHBondContact O-N 3.35Å; L430-T432 PolarHBondContact O-OG1 2.89Å
431	G	48.2	Very low	66	Low	54 Å²	54	59.2 Å²	59.2	56%	0.557	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-63	25	177.6	0	0	0	0	0	114	S429 N434	S429-G431 PolarHBondContact O-N 3.17Å; G431-N434 PolarHBondContact O-ND2 2.77Å
432	T	49.1	Very low	66.7	Low	102 Å²	102	54.6 Å²	54.6	63%	0.626	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-93.1	2.4	-164.6	40.7	0	0	0	0	114.8	L430	L430-T432 HydrophobicContact CB-CG2 4.29Å; L430-T432 WeakPolarHBondContact CB-OG1 3.38Å; L430-T432 PolarHBondContact O-N 3.35Å; L430-T432 PolarHBondContact O-OG1 2.89Å
433	F	62.9	Low	67.4	Low	15 Å²	15	53.4 Å²	53.4	7%	0.066	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-140.5	53	169	-157.4	-101.5	0	0	0	113.5	I14 L17 N18 I21 L422 Q435 I436	I14-F433 HydrophobicContact CG2-CD2 3.87Å; I14-F433 HydrophobicContact CG2-CE2 4.02Å; L17-F433 HydrophobicContact CB-CZ 4.48Å; N18-F433 WeakPolarHBondContact OD1-CE2 3.16Å; I21-F433 HydrophobicContact CD1-CE1 4.15Å; I21-F433 HydrophobicContact CD1-CZ 3.64Å; L422-F433 HydrophobicContact CD1-CB 4.31Å; L422-F433 HydrophobicContact CD1-CD1 3.64Å; L422-F433 HydrophobicContact CD1-CD2 4.19Å; L422-F433 HydrophobicContact CD1-CE1 3.94Å; L422-F433 HydrophobicContact CD1-CE2 4.41Å; L422-F433 HydrophobicContact CD1-CG 3.79Å; L422-F433 HydrophobicContact CD1-CZ 4.31Å; L422-F433 HydrophobicContact CD2-CB 3.85Å; L422-F433 HydrophobicContact CD2-CD2 4.2Å; L422-F433 HydrophobicContact CD2-CG 4.01Å; L422-F433 HydrophobicContact CG-CB 4.45Å; L422-F433 HydrophobicContact CG-CG 4.41Å; F433-Q435 HydrophobicContact CE1-CB 4.36Å; F433-Q435 HydrophobicContact CZ-CB 4.31Å; F433-Q435 PolarHBondContact O-N 3.39Å; F433-I436 HydrophobicContact CD1-CB 3.87Å; F433-I436 HydrophobicContact CE1-CB 4.17Å; F433-I436 WeakPolarHBondContact O-CG2 3.37Å; F433-I436 PolarHBondContact O-N 2.57Å; F433-I436 VanDerWaalsContact O-N 3.09Å
434	N	68.3	Low	68.3	Low	103 Å²	103	53.6 Å²	53.6	55%	0.551	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-55.5	-18.5	174.1	-72.7	-32.2	0	0	0	114.1	G431 I436 K437	G431-N434 PolarHBondContact O-ND2 2.77Å; N434-I436 PolarHBondContact O-N 3.13Å; N434-K437 WeakPolarHBondContact O-CB 3.18Å; N434-K437 PolarHBondContact O-N 3.22Å
435	Q	75.8	Confident	69.6	Low	47 Å²	47	53.4 Å²	53.4	22%	0.22	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-63.7	-20.5	177.1	-70.7	-103.1	13.7	0	0	112.6	N18 I21 F433 K437 S438	N18-Q435 WeakPolarHBondContact OD1-CB 3.31Å; N18-Q435 WeakPolarHBondContact OD1-CG 3.27Å; I21-Q435 HydrophobicContact CD1-CB 3.94Å; F433-Q435 HydrophobicContact CE1-CB 4.36Å; F433-Q435 HydrophobicContact CZ-CB 4.31Å; F433-Q435 PolarHBondContact O-N 3.39Å; Q435-K437 PolarHBondContact O-N 2.89Å; Q435-S438 PolarHBondContact O-N 3.18Å; Q435-S438 PolarHBondContact O-OG 3.48Å
436	I	80.6	Confident	71	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-54.9	-36	174.1	-161.4	160.5	0	0	0	112.2	L419 F433 N434 S438 I439 K440 L443 D727 L728	L419-I436 HydrophobicContact CD1-CD1 3.75Å; F433-I436 HydrophobicContact CD1-CB 3.87Å; F433-I436 HydrophobicContact CE1-CB 4.17Å; F433-I436 WeakPolarHBondContact O-CG2 3.37Å; F433-I436 PolarHBondContact O-N 2.57Å; F433-I436 VanDerWaalsContact O-N 3.09Å; N434-I436 PolarHBondContact O-N 3.13Å; I436-S438 PolarHBondContact O-N 2.9Å; I436-I439 CarbonylContact O-C 3.56Å; I436-I439 WeakPolarHBondContact O-CG1 3.41Å; I436-I439 PolarHBondContact O-N 3.35Å; I436-K440 PolarHBondContact O-N 3.45Å; I436-L443 HydrophobicContact CD1-CD1 4.05Å; I436-L443 HydrophobicContact CD1-CD2 4.37Å; I436-L443 HydrophobicContact CG1-CD1 3.8Å; I436-L443 HydrophobicContact CG1-CD2 4.33Å; I436-D727 HydrophobicContact CG2-CB 3.99Å; I436-L728 HydrophobicContact CD1-CD2 4.14Å
437	K	80.4	Confident	72	Confident	60 Å²	60	52.8 Å²	52.8	26%	0.261	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60.4	-29	178.3	-63.5	-178.1	176.7	-178.4	0	112.7	N434 Q435 D727	N434-K437 WeakPolarHBondContact O-CB 3.18Å; N434-K437 PolarHBondContact O-N 3.22Å; Q435-K437 PolarHBondContact O-N 2.89Å; K437-D727 WeakPolarHBondContact CE-OD1 3.46Å
438	S	83.9	Confident	73.4	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.119	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-83.2	-15.8	179.7	70.1	0	0	0	0	113.9	I21 Y211 Q435 I436	I21-S438 WeakPolarHBondContact CG2-OG 3.41Å; Y211-S438 PolarHBondContact OH-O 3.35Å; Q435-S438 PolarHBondContact O-N 3.18Å; Q435-S438 PolarHBondContact O-OG 3.48Å; I436-S438 PolarHBondContact O-N 2.9Å
439	I	88.8	Confident	75.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-119.8	22.2	-177.9	60	162.6	0	0	0	113	I21 F411 L415 I436 Q441 F442 L443	I21-I439 HydrophobicContact CB-CG2 4.23Å; I21-I439 HydrophobicContact CD1-CD1 3.71Å; I21-I439 HydrophobicContact CD1-CG1 4.26Å; I21-I439 HydrophobicContact CD1-CG2 4.18Å; I21-I439 HydrophobicContact CG1-CD1 4.15Å; I21-I439 HydrophobicContact CG1-CG2 3.76Å; I21-I439 HydrophobicContact CG2-CG2 3.63Å; F411-I439 HydrophobicContact CE1-CD1 4.21Å; F411-I439 HydrophobicContact CZ-CD1 3.89Å; L415-I439 HydrophobicContact CD2-CD1 3.91Å; I436-I439 CarbonylContact O-C 3.56Å; I436-I439 WeakPolarHBondContact O-CG1 3.41Å; I436-I439 PolarHBondContact O-N 3.35Å; I439-Q441 PolarHBondContact O-N 3.47Å; I439-Q441 VanDerWaalsContact O-N 3.15Å; I439-F442 HydrophobicContact CB-CB 4.23Å; I439-F442 HydrophobicContact CB-CD2 4.35Å; I439-F442 HydrophobicContact CB-CG 4.4Å; I439-F442 WeakPolarHBondContact O-CA 3.01Å; I439-F442 VanDerWaalsContact O-CB 3.29Å; I439-F442 WeakPolarHBondContact O-CB 3.1Å; I439-F442 PolarHBondContact O-N 3.36Å; I439-L443 PolarHBondContact O-N 2.77Å
440	K	89.5	Confident	77.1	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-54.5	-38	-177	-78.2	-176.3	171.1	-157.2	0	113.4	I436 F442 L443 T623 E625 L726 D727 L729 T730	I436-K440 PolarHBondContact O-N 3.45Å; K440-F442 VanDerWaalsContact C-N 3.27Å; K440-F442 PolarHBondContact O-N 3.35Å; K440-L443 HydrophobicContact CG-CD1 4.49Å; K440-L443 VanDerWaalsContact O-CB 3.3Å; K440-L443 WeakPolarHBondContact O-CB 3.38Å; K440-L443 PolarHBondContact O-N 2.79Å; K440-L443 VanDerWaalsContact O-N 3.11Å; K440-T623 PolarHBondContact NZ-O 3.3Å; K440-E625 HydrophobicContact CD-CG 3.53Å; K440-L726 PolarHBondContact NZ-O 3.44Å; K440-D727 WeakPolarHBondContact CE-O 3.46Å; K440-L729 WeakPolarHBondContact CD-O 3.45Å; K440-L729 PolarHBondContact NZ-O 3.38Å; K440-L729 VanDerWaalsContact NZ-O 3.12Å; K440-T730 HydrophobicContact CB-CG2 4.37Å
441	Q	89.8	Confident	78.7	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.033	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60	-39.1	176.9	-54.1	-57.4	-41.5	0	0	111.1	E215 V218 H219 I439 L443 L444 E625	E215-Q441 HydrophobicContact CB-CB 4.38Å; E215-Q441 HydrophobicContact CG-CB 4.04Å; E215-Q441 HydrophobicContact CG-CG 4.1Å; E215-Q441 VanDerWaalsContact OE1-CG 3.25Å; E215-Q441 WeakPolarHBondContact OE1-CG 3.39Å; V218-Q441 WeakPolarHBondContact CG1-O 3.29Å; H219-Q441 PolarHBondContact CE1-OE1 3.15Å; H219-Q441 VanDerWaalsContact CE1-OE1 3.25Å; H219-Q441 PolarHBondContact NE2-OE1 3.18Å; I439-Q441 PolarHBondContact O-N 3.47Å; I439-Q441 VanDerWaalsContact O-N 3.15Å; Q441-L443 VanDerWaalsContact C-N 3.26Å; Q441-L443 PolarHBondContact O-N 3.46Å; Q441-L444 WeakPolarHBondContact O-CB 3.49Å; Q441-L444 WeakPolarHBondContact O-CD1 3.45Å; Q441-L444 VanDerWaalsContact O-CG 3.31Å; Q441-L444 WeakPolarHBondContact O-CG 3.34Å; Q441-L444 PolarHBondContact O-N 3.28Å; Q441-E625 PolarHBondContact NE2-OE2 3.14Å; Q441-E625 VanDerWaalsContact NE2-OE2 3.16Å
442	F	92.8	Very high	80.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.6	-28.8	177.9	-73	-120.1	0	0	0	112.7	F24 Y211 D214 E215 V218 I408 F411 I412 I439 K440 L444 L445	F24-F442 HydrophobicContact CB-CZ 4.48Å; F24-F442 HydrophobicContact CD1-CE1 4.21Å; F24-F442 HydrophobicContact CD1-CZ 4.21Å; F24-F442 HydrophobicContact CD2-CE1 4.17Å; F24-F442 HydrophobicContact CE1-CE1 4.22Å; F24-F442 HydrophobicContact CE2-CE1 4.18Å; F24-F442 HydrophobicContact CG-CE1 4.21Å; F24-F442 HydrophobicContact CG-CZ 4.19Å; F24-F442 HydrophobicContact CZ-CE1 4.21Å; Y211-F442 AromaticContact CE2-CE2 3.59Å; Y211-F442 HydrophobicContact CE2-CE2 3.59Å; Y211-F442 AromaticContact CE2-CZ 3.91Å; Y211-F442 HydrophobicContact CE2-CZ 3.91Å; Y211-F442 AromaticContact CZ-CE2 3.74Å; Y211-F442 WeakPolarHBondContact OH-CE2 3.41Å; D214-F442 HydrophobicContact CB-CE2 4.38Å; D214-F442 HydrophobicContact CB-CZ 3.72Å; E215-F442 HydrophobicContact CG-CE2 4.39Å; V218-F442 HydrophobicContact CG2-CD1 4.05Å; V218-F442 HydrophobicContact CG2-CD2 4.32Å; V218-F442 HydrophobicContact CG2-CE1 4.27Å; V218-F442 HydrophobicContact CG2-CE2 4.49Å; V218-F442 HydrophobicContact CG2-CG 4.09Å; V218-F442 HydrophobicContact CG2-CZ 4.48Å; I408-F442 HydrophobicContact CD1-CE1 4.41Å; I408-F442 HydrophobicContact CG1-CE1 4.21Å; I408-F442 HydrophobicContact CG2-CD1 4.14Å; I408-F442 HydrophobicContact CG2-CE1 4.26Å; F411-F442 HydrophobicContact CD1-CD1 4.09Å; F411-F442 AromaticContact CE1-CD1 3.98Å; F411-F442 HydrophobicContact CE1-CD1 3.98Å; I412-F442 HydrophobicContact CD1-CB 4Å; I412-F442 WeakPolarHBondContact CD1-O 3.43Å; I439-F442 HydrophobicContact CB-CB 4.23Å; I439-F442 HydrophobicContact CB-CD2 4.35Å; I439-F442 HydrophobicContact CB-CG 4.4Å; I439-F442 WeakPolarHBondContact O-CA 3.01Å; I439-F442 VanDerWaalsContact O-CB 3.29Å; I439-F442 WeakPolarHBondContact O-CB 3.1Å; I439-F442 PolarHBondContact O-N 3.36Å; K440-F442 VanDerWaalsContact C-N 3.27Å; K440-F442 PolarHBondContact O-N 3.35Å; F442-L444 PolarHBondContact O-N 3.41Å; F442-L444 VanDerWaalsContact O-N 3.14Å; F442-L445 PolarHBondContact O-N 3.46Å; F442-L445 VanDerWaalsContact O-N 3.12Å
443	L	90	Very high	81.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62.5	-21.2	179.8	-60.1	176.5	0	0	0	112.7	L415 L419 I436 I439 K440 Q441 L445 S446 R449 L728	L415-L443 HydrophobicContact CD2-CD2 3.65Å; L419-L443 HydrophobicContact CD1-CD2 4.42Å; I436-L443 HydrophobicContact CD1-CD1 4.05Å; I436-L443 HydrophobicContact CD1-CD2 4.37Å; I436-L443 HydrophobicContact CG1-CD1 3.8Å; I436-L443 HydrophobicContact CG1-CD2 4.33Å; I439-L443 PolarHBondContact O-N 2.77Å; K440-L443 HydrophobicContact CG-CD1 4.49Å; K440-L443 VanDerWaalsContact O-CB 3.3Å; K440-L443 WeakPolarHBondContact O-CB 3.38Å; K440-L443 PolarHBondContact O-N 2.79Å; K440-L443 VanDerWaalsContact O-N 3.11Å; Q441-L443 VanDerWaalsContact C-N 3.26Å; Q441-L443 PolarHBondContact O-N 3.46Å; L443-L445 PolarHBondContact O-N 3.05Å; L443-L445 VanDerWaalsContact O-N 3.11Å; L443-S446 WeakPolarHBondContact O-CB 3.25Å; L443-S446 PolarHBondContact O-N 2.91Å; L443-R449 WeakPolarHBondContact O-CD 3.49Å; L443-L728 HydrophobicContact CD1-CD2 4.3Å
444	L	88.1	Confident	82.8	Confident	18 Å²	18	42.4 Å²	42.4	9%	0.094	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-53	-30.9	173.7	-69.7	166.7	0	0	0	112.5	H219 Y222 Q441 F442 T730	H219-L444 WeakPolarHBondContact CE1-CD1 3.22Å; Y222-L444 HydrophobicContact CD2-CB 3.88Å; Y222-L444 VanDerWaalsContact CD2-O 3.24Å; Y222-L444 WeakPolarHBondContact CD2-O 3.22Å; Y222-L444 HydrophobicContact CE1-CD2 4.36Å; Y222-L444 HydrophobicContact CE2-CB 4.39Å; Y222-L444 HydrophobicContact CE2-CD2 4.36Å; Y222-L444 WeakPolarHBondContact CE2-O 3.5Å; Y222-L444 HydrophobicContact CG-CB 4.06Å; Q441-L444 WeakPolarHBondContact O-CB 3.49Å; Q441-L444 WeakPolarHBondContact O-CD1 3.45Å; Q441-L444 VanDerWaalsContact O-CG 3.31Å; Q441-L444 WeakPolarHBondContact O-CG 3.34Å; Q441-L444 PolarHBondContact O-N 3.28Å; F442-L444 PolarHBondContact O-N 3.41Å; F442-L444 VanDerWaalsContact O-N 3.14Å; L444-T730 HydrophobicContact CG-CG2 4.38Å
445	L	86.4	Confident	83.4	Confident	38 Å²	38	40.9 Å²	40.9	20%	0.199	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-87.9	-9.5	178.8	-58.9	-179.2	0	0	0	114.1	V218 F221 I408 I412 F442 L443	V218-L445 HydrophobicContact CB-CD1 4.32Å; V218-L445 HydrophobicContact CG1-CD1 4.14Å; V218-L445 HydrophobicContact CG1-CG 4.07Å; V218-L445 HydrophobicContact CG2-CD1 3.97Å; F221-L445 HydrophobicContact CB-CD1 4.14Å; F221-L445 HydrophobicContact CB-CD2 3.67Å; I408-L445 HydrophobicContact CG2-CD1 3.96Å; I412-L445 HydrophobicContact CD1-CB 4.32Å; I412-L445 HydrophobicContact CG1-CB 4.01Å; I412-L445 HydrophobicContact CG1-CD1 4.44Å; I412-L445 HydrophobicContact CG2-CB 4.18Å; I412-L445 WeakPolarHBondContact CG2-O 3.46Å; F442-L445 PolarHBondContact O-N 3.46Å; F442-L445 VanDerWaalsContact O-N 3.12Å; L443-L445 PolarHBondContact O-N 3.05Å; L443-L445 VanDerWaalsContact O-N 3.11Å
446	S	85.4	Confident	83.8	Confident	8 Å²	8	38.9 Å²	38.9	6%	0.056	20%	0.2	C	C	.	.			trans	-77.6	131.1	-176.7	117.2	0	0	0	0	110.5	D416 L443 R449	D416-S446 WeakPolarHBondContact OD1-CA 3.33Å; D416-S446 WeakPolarHBondContact OD1-CB 3.09Å; D416-S446 PolarHBondContact OD1-OG 3.18Å; D416-S446 VanDerWaalsContact OD1-OG 3.11Å; L443-S446 WeakPolarHBondContact O-CB 3.25Å; L443-S446 PolarHBondContact O-N 2.91Å; S446-R449 WeakPolarHBondContact OG-CB 3.47Å; S446-R449 PolarHBondContact OG-N 2.96Å
447	K	76.1	Confident	84.1	Confident	133 Å²	133	39.8 Å²	39.8	58%	0.578	21%	0.205	S	C	*	.	S	Bend	trans	-81.1	-18	-177.3	-64.4	178	178.7	175.8	0	112.8	D416	D416-K447 PolarHBondContact OD1-N 2.89Å; D416-K447 VanDerWaalsContact OD1-N 3.12Å; D416-K447 PolarHBondContact OD2-N 3.33Å
448	R	75.8	Confident	84.3	Confident	144 Å²	144	41.6 Å²	41.6	54%	0.543	21%	0.213	S	C	.	.	S	Bend	trans	-88.8	-22.9	-179.2	-63.8	-62.4	-170.4	173.7	1.4	113.5	D416 S450 A451 L452	D416-R448 HydrophobicContact CB-CG 4.05Å; D416-R448 PolarHBondContact OD1-N 2.95Å; D416-R448 VanDerWaalsContact OD1-N 3.11Å; R448-S450 PolarHBondContact O-N 3.43Å; R448-A451 PolarHBondContact O-N 3.41Å; R448-L452 HydrophobicContact CB-CD1 4.32Å; R448-L452 WeakPolarHBondContact O-CG 3.23Å; R448-L452 PolarHBondContact O-N 2.89Å; R448-L452 VanDerWaalsContact O-N 3.13Å
449	R	83.4	Confident	84.3	Confident	9 Å²	9	44.4 Å²	44.4	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-52.3	-52.4	-174.4	170.7	-174.1	-164.1	-135.4	3.8	114.7	L419 L443 S446 A451 L452 I453 L728 E733	L419-R449 HydrophobicContact CD2-CB 4.45Å; L443-R449 WeakPolarHBondContact O-CD 3.49Å; S446-R449 WeakPolarHBondContact OG-CB 3.47Å; S446-R449 PolarHBondContact OG-N 2.96Å; R449-A451 PolarHBondContact O-N 3.35Å; R449-L452 PolarHBondContact O-N 3.22Å; R449-I453 HydrophobicContact CG-CD1 3.79Å; R449-I453 WeakPolarHBondContact O-CG1 3.34Å; R449-I453 PolarHBondContact O-N 3.39Å; R449-L728 HydrophobicContact CG-CB 4.49Å; R449-L728 PolarHBondContact NE-O 2.75Å; R449-L728 PolarHBondContact NH2-O 2.79Å; R449-E733 IonicContact CZ-OE1 2.83Å; R449-E733 IonicContact CZ-OE2 3.19Å; R449-E733 IonicContact NH1-OE1 3.36Å; R449-E733 PolarHBondContact NH1-OE1 3.22Å; R449-E733 IonicContact NH1-OE2 3.58Å; R449-E733 PolarHBondContact NH1-OE2 3.16Å; R449-E733 VanDerWaalsContact NH2-CD 3.34Å; R449-E733 IonicContact NH2-OE1 2.69Å; R449-E733 PolarHBondContact NH2-OE1 3.13Å; R449-E733 IonicContact NH2-OE2 3.94Å; R449-E733 PolarHBondContact NH2-OE2 2.82Å
450	S	80.8	Confident	84.2	Confident	80 Å²	80	44.5 Å²	44.5	56%	0.559	23%	0.227	S	C	*	.	H	α-helix	trans	-63	-42.3	-174.1	-57.9	0	0	0	0	112	R448 I453 I454	R448-S450 PolarHBondContact O-N 3.43Å; S450-I453 PolarHBondContact O-N 3.42Å; S450-I454 WeakPolarHBondContact O-CG1 3.47Å; S450-I454 PolarHBondContact O-N 3.14Å; S450-I454 VanDerWaalsContact O-N 3.08Å
451	A	76.3	Confident	84.3	Confident	64 Å²	64	47.8 Å²	47.8	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	-63.1	-42.4	175.9	0	0	0	0	0	111.7	R448 R449 I453 I454 Q455	R448-A451 PolarHBondContact O-N 3.41Å; R449-A451 PolarHBondContact O-N 3.35Å; A451-I453 PolarHBondContact O-N 3.41Å; A451-I454 PolarHBondContact O-N 3.22Å; A451-Q455 VanDerWaalsContact O-CB 3.32Å; A451-Q455 WeakPolarHBondContact O-CB 3.25Å; A451-Q455 PolarHBondContact O-N 3.11Å
452	L	79.6	Confident	84.2	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-40.4	176.6	-70.3	170.4	0	0	0	112.4	L419 P420 R448 R449 Q455 C456 L728	L419-L452 HydrophobicContact CB-CD1 4.2Å; L419-L452 HydrophobicContact CD2-CD1 3.75Å; L419-L452 HydrophobicContact CG-CD1 3.66Å; P420-L452 HydrophobicContact CB-CD2 4.28Å; P420-L452 HydrophobicContact CG-CD1 4.46Å; R448-L452 HydrophobicContact CB-CD1 4.32Å; R448-L452 WeakPolarHBondContact O-CG 3.23Å; R448-L452 PolarHBondContact O-N 2.89Å; R448-L452 VanDerWaalsContact O-N 3.13Å; R449-L452 PolarHBondContact O-N 3.22Å; L452-Q455 PolarHBondContact O-N 3.46Å; L452-C456 WeakPolarHBondContact O-CB 3.38Å; L452-C456 PolarHBondContact O-N 3.06Å; L452-C456 PolarHBondContact O-SG 3.47Å; L452-L728 HydrophobicContact CB-CD1 3.81Å
453	I	84.3	Confident	83.8	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-49.6	175.9	-70.4	163.4	0	0	0	110.4	R449 S450 A451 Q455 C456 L457 V725 L728 L729	R449-I453 HydrophobicContact CG-CD1 3.79Å; R449-I453 WeakPolarHBondContact O-CG1 3.34Å; R449-I453 PolarHBondContact O-N 3.39Å; S450-I453 PolarHBondContact O-N 3.42Å; A451-I453 PolarHBondContact O-N 3.41Å; I453-Q455 VanDerWaalsContact C-N 3.33Å; I453-Q455 PolarHBondContact O-N 2.82Å; I453-C456 PolarHBondContact O-N 3.46Å; I453-L457 HydrophobicContact CG2-CD1 4.14Å; I453-L457 WeakPolarHBondContact O-CG 3.49Å; I453-L457 PolarHBondContact O-N 3.28Å; I453-V725 HydrophobicContact CG2-CG1 3.99Å; I453-L728 HydrophobicContact CD1-CB 4Å; I453-L728 HydrophobicContact CG1-CB 3.75Å; I453-L728 HydrophobicContact CG1-CD1 3.84Å; I453-L728 HydrophobicContact CG1-CG 4.46Å; I453-L729 HydrophobicContact CD1-CD2 3.69Å; I453-L729 HydrophobicContact CD1-CG 4.06Å
454	I	82.7	Confident	83.4	Confident	115 Å²	115	58.2 Å²	58.2	59%	0.59	31%	0.305	S	S	*	.	H	α-helix	trans	-59.6	-47.1	179.4	-67.9	165.8	0	0	0	110.1	S450 A451 L457 K458	S450-I454 WeakPolarHBondContact O-CG1 3.47Å; S450-I454 PolarHBondContact O-N 3.14Å; S450-I454 VanDerWaalsContact O-N 3.08Å; A451-I454 PolarHBondContact O-N 3.22Å; I454-L457 PolarHBondContact O-N 3.49Å; I454-K458 WeakPolarHBondContact O-CB 3.48Å; I454-K458 PolarHBondContact O-N 2.94Å
455	Q	80.7	Confident	83.1	Confident	70 Å²	70	59 Å²	59	33%	0.327	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-48.6	179.2	-174.7	60.6	28.8	0	0	111.8	A451 L452 I453 L457 K458 D459	A451-Q455 VanDerWaalsContact O-CB 3.32Å; A451-Q455 WeakPolarHBondContact O-CB 3.25Å; A451-Q455 PolarHBondContact O-N 3.11Å; L452-Q455 PolarHBondContact O-N 3.46Å; I453-Q455 VanDerWaalsContact C-N 3.33Å; I453-Q455 PolarHBondContact O-N 2.82Å; Q455-L457 VanDerWaalsContact C-N 3.31Å; Q455-L457 PolarHBondContact O-N 3.01Å; Q455-K458 PolarHBondContact O-N 3.26Å; Q455-D459 PolarHBondContact NE2-OD1 3.27Å; Q455-D459 PolarHBondContact NE2-OD2 2.91Å; Q455-D459 WeakPolarHBondContact O-CB 3.42Å; Q455-D459 VanDerWaalsContact O-CG 3.25Å; Q455-D459 PolarHBondContact O-N 3.34Å
456	C	84.1	Confident	82.9	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-37.8	179.1	-69.5	0	0	0	0	112.5	L452 I453 S460 P722 V725	L452-C456 WeakPolarHBondContact O-CB 3.38Å; L452-C456 PolarHBondContact O-N 3.06Å; L452-C456 PolarHBondContact O-SG 3.47Å; I453-C456 PolarHBondContact O-N 3.46Å; C456-S460 WeakPolarHBondContact O-CB 3.45Å; C456-S460 PolarHBondContact O-N 3.35Å; C456-S460 PolarHBondContact O-OG 2.84Å; C456-P722 HydrophobicContact CB-CG 4.23Å; C456-P722 WeakPolarHBondContact O-CG 3.13Å; C456-V725 HydrophobicContact CB-CG2 3.48Å; C456-V725 VanDerWaalsContact CB-CG2 3.48Å
457	L	86.6	Confident	82.8	Confident	25 Å²	25	72.4 Å²	72.4	13%	0.131	37%	0.374	C	S	.	.	H	α-helix	trans	-64.7	-50	174.1	-72	177.7	0	0	0	110.1	I453 I454 Q455 D459 S460 E461 L604 R605 V721 V725	I453-L457 HydrophobicContact CG2-CD1 4.14Å; I453-L457 WeakPolarHBondContact O-CG 3.49Å; I453-L457 PolarHBondContact O-N 3.28Å; I454-L457 PolarHBondContact O-N 3.49Å; Q455-L457 VanDerWaalsContact C-N 3.31Å; Q455-L457 PolarHBondContact O-N 3.01Å; L457-D459 PolarHBondContact O-N 3.43Å; L457-S460 PolarHBondContact O-N 3.41Å; L457-S460 PolarHBondContact O-OG 2.84Å; L457-E461 WeakPolarHBondContact O-CG 3.24Å; L457-E461 PolarHBondContact O-N 3.32Å; L457-L604 HydrophobicContact CD1-CD2 4.47Å; L457-L604 HydrophobicContact CD2-CD2 4.43Å; L457-R605 HydrophobicContact CD2-CG 4.01Å; L457-R605 PolarHBondContact O-NH2 3.46Å; L457-V721 HydrophobicContact CD2-CG1 4.39Å; L457-V725 HydrophobicContact CD2-CG1 4.24Å; L457-V725 HydrophobicContact CD2-CG2 4.01Å; L457-V725 HydrophobicContact CG-CG1 4.4Å; L457-V725 HydrophobicContact CG-CG2 3.97Å
458	K	85.4	Confident	83.2	Confident	97 Å²	97	68.5 Å²	68.5	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-56.7	-48.1	178.6	-171.2	179	179.6	-178.9	0	112.2	I454 Q455 S460 E461	I454-K458 WeakPolarHBondContact O-CB 3.48Å; I454-K458 PolarHBondContact O-N 2.94Å; Q455-K458 PolarHBondContact O-N 3.26Å; K458-S460 PolarHBondContact O-N 3.22Å; K458-E461 VanDerWaalsContact O-CB 3.25Å; K458-E461 WeakPolarHBondContact O-CB 3.43Å; K458-E461 WeakPolarHBondContact O-CG 3.5Å; K458-E461 PolarHBondContact O-N 2.99Å
459	D	84.1	Confident	83.8	Confident	76 Å²	76	63.3 Å²	63.3	41%	0.406	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-26.3	-178.7	-69.3	-19	0	0	0	113.1	Q455 L457	Q455-D459 PolarHBondContact NE2-OD1 3.27Å; Q455-D459 PolarHBondContact NE2-OD2 2.91Å; Q455-D459 WeakPolarHBondContact O-CB 3.42Å; Q455-D459 VanDerWaalsContact O-CG 3.25Å; Q455-D459 PolarHBondContact O-N 3.34Å; L457-D459 PolarHBondContact O-N 3.43Å
460	S	87.4	Confident	84.1	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.014	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.8	177.7	73.8	0	0	0	0	114	C456 L457 K458 R516 R605	C456-S460 WeakPolarHBondContact O-CB 3.45Å; C456-S460 PolarHBondContact O-N 3.35Å; C456-S460 PolarHBondContact O-OG 2.84Å; L457-S460 PolarHBondContact O-N 3.41Å; L457-S460 PolarHBondContact O-OG 2.84Å; K458-S460 PolarHBondContact O-N 3.22Å; S460-R516 PolarHBondContact O-NH1 3.31Å; S460-R605 PolarHBondContact OG-NH1 3.5Å; S460-R605 PolarHBondContact OG-NH2 3.28Å
461	E	89.9	Confident	84.7	Confident	72 Å²	72	65.1 Å²	65.1	34%	0.336	34%	0.339	S	S	.	.			trans	-64.4	146.6	-176.8	-74.4	177.6	178.9	0	0	112.7	L457 K458 R516 P518	L457-E461 WeakPolarHBondContact O-CG 3.24Å; L457-E461 PolarHBondContact O-N 3.32Å; K458-E461 VanDerWaalsContact O-CB 3.25Å; K458-E461 WeakPolarHBondContact O-CB 3.43Å; K458-E461 WeakPolarHBondContact O-CG 3.5Å; K458-E461 PolarHBondContact O-N 2.99Å; E461-R516 CarbonylContact C-O 3.38Å; E461-R516 VanDerWaalsContact CA-O 3.22Å; E461-R516 WeakPolarHBondContact CA-O 3.34Å; E461-P518 WeakPolarHBondContact OE2-CG 3.46Å
462	T	89.3	Confident	85.4	Confident	34 Å²	34	68.9 Å²	68.9	21%	0.209	34%	0.34	C	S	.	.			trans	-123.2	161.2	169	56.8	0	0	0	0	110.9	D514 R516 P518	T462-D514 VanDerWaalsContact CG2-OD2 3.27Å; T462-D514 WeakPolarHBondContact CG2-OD2 3.45Å; T462-D514 VanDerWaalsContact OG1-CG 3.32Å; T462-D514 PolarHBondContact OG1-OD2 3.36Å; T462-R516 HydrophobicContact CG2-CB 4.4Å; T462-R516 PolarHBondContact N-O 2.98Å; T462-P518 VanDerWaalsContact O-CD 3.29Å; T462-P518 WeakPolarHBondContact O-CD 3.46Å
463	S	83.5	Confident	86	Confident	110 Å²	110	67.7 Å²	67.7	77%	0.769	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-70.2	143	174.5	-49.8	0	0	0	0	111.2
464	K	82.1	Confident	86.4	Confident	81 Å²	81	68.3 Å²	68.3	35%	0.352	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-56.4	155	167.4	74.9	169.8	-173.1	78.8	0	110.7	W517 Y521	K464-W517 HydrophobicContact CB-CD2 4.04Å; K464-W517 HydrophobicContact CB-CE3 4.17Å; K464-W517 HydrophobicContact CB-CG 4.34Å; K464-Y521 HydrophobicContact CB-CD2 4.35Å; K464-Y521 HydrophobicContact CB-CE2 4.39Å; K464-Y521 HydrophobicContact CD-CD1 3.82Å; K464-Y521 HydrophobicContact CD-CE1 3.52Å; K464-Y521 HydrophobicContact CD-CE2 4.3Å; K464-Y521 HydrophobicContact CD-CG 4.36Å; K464-Y521 HydrophobicContact CG-CE1 4.44Å; K464-Y521 HydrophobicContact CG-CE2 4.39Å
465	P	82.3	Confident	86.8	Confident	36 Å²	36	64.4 Å²	64.4	23%	0.234	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.3	154.1	174.4	28.9	-37.2	0	0	0	111.4	F467 L513 W517	P465-F467 WeakPolarHBondContact CB-O 3.29Å; P465-F467 PolarHBondContact O-N 2.74Å; P465-L513 HydrophobicContact CG-CD1 4.02Å; P465-W517 VanDerWaalsContact CD-CE2 3.46Å; P465-W517 VanDerWaalsContact CD-CH2 3.46Å; P465-W517 HydrophobicContact CG-CH2 3.88Å; P465-W517 HydrophobicContact CG-CZ2 3.78Å
466	N	81.6	Confident	87.2	Confident	148 Å²	148	67.9 Å²	67.9	79%	0.791	33%	0.325	S	S	*	.	S	Bend	trans	-62.4	-36.8	175.9	-70.4	-21.1	0	0	0	111.4
467	F	82.5	Confident	87.6	Confident	178 Å²	178	69.9 Å²	69.9	78%	0.781	34%	0.335	S	S	*	.	S	Bend	trans	-122.1	129.2	175.5	-58.7	-78.1	0	0	0	109.1	P465	P465-F467 WeakPolarHBondContact CB-O 3.29Å; P465-F467 PolarHBondContact O-N 2.74Å
468	M	85.2	Confident	87.9	Confident	51 Å²	51	68.9 Å²	68.9	25%	0.251	33%	0.331	S	S	.	.			trans	-73.9	131	175.5	-166.8	63.9	77.2	0	0	109	R470 W517 Q523 W524 E526	M468-R470 PolarHBondContact O-N 2.69Å; M468-W517 HydrophobicContact CE-CH2 4.32Å; M468-W517 HydrophobicContact CE-CZ3 3.83Å; M468-W517 HydrophobicContact SD-CH2 3.9Å; M468-W517 HydrophobicContact SD-CZ3 3.96Å; M468-Q523 VanDerWaalsContact CE-O 3.22Å; M468-Q523 WeakPolarHBondContact CE-O 3.49Å; M468-W524 VanDerWaalsContact SD-C 3.55Å; M468-E526 HydrophobicContact CB-CG 4.29Å; M468-E526 HydrophobicContact CG-CG 4Å
469	P	88.6	Confident	88.1	Confident	35 Å²	35	69.6 Å²	69.6	23%	0.227	34%	0.337	C	S	.	.			trans	-64.8	133	176.2	24.7	-31	0	0	0	109.8	L503 L513 W525 E526	P469-L503 HydrophobicContact CB-CD2 3.84Å; P469-L503 HydrophobicContact CG-CD2 3.71Å; P469-L513 HydrophobicContact CG-CD1 4.08Å; P469-L513 HydrophobicContact CG-CD2 4.01Å; P469-W525 HydrophobicContact CG-CB 4.24Å; P469-W525 WeakPolarHBondContact O-CA 3.2Å; P469-W525 WeakPolarHBondContact O-CB 3.34Å; P469-E526 PolarHBondContact O-N 3.42Å
470	R	89.9	Confident	88.4	Confident	122 Å²	122	70.3 Å²	70.3	46%	0.46	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.6	179.8	-177.9	178.1	-74.2	170.6	-1.6	110.1	M468 Y472 E526	M468-R470 PolarHBondContact O-N 2.69Å; R470-Y472 HydrophobicContact CG-CE2 4.11Å; R470-E526 WeakPolarHBondContact CA-O 3.44Å; R470-E526 HydrophobicContact CB-CB 4.18Å; R470-E526 HydrophobicContact CG-CB 4.15Å; R470-E526 IonicContact CZ-OE2 3.78Å; R470-E526 IonicContact NE-OE2 2.73Å; R470-E526 PolarHBondContact NE-OE2 3.42Å; R470-E526 IonicContact NH2-OE2 3.46Å; R470-E526 PolarHBondContact NH2-OE2 3.47Å
471	L	91.8	Very high	88.7	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.7	-177.2	-56.9	-176.8	0	0	0	111	I473 V499 G502 L503 W525 E526 K528	L471-I473 HydrophobicContact CB-CG1 4.35Å; L471-V499 HydrophobicContact CD1-CB 4.24Å; L471-V499 HydrophobicContact CD1-CG1 3.78Å; L471-V499 HydrophobicContact CD1-CG2 4.13Å; L471-G502 VanDerWaalsContact CD2-C 3.4Å; L471-G502 WeakPolarHBondContact CD2-O 3.47Å; L471-L503 HydrophobicContact CD1-CD1 4.46Å; L471-L503 HydrophobicContact CD1-CD2 3.99Å; L471-L503 HydrophobicContact CD1-CG 3.97Å; L471-L503 HydrophobicContact CD2-CD2 3.88Å; L471-L503 HydrophobicContact CD2-CG 4.09Å; L471-L503 HydrophobicContact CG-CD2 4.2Å; L471-W525 HydrophobicContact CD1-CB 4.04Å; L471-W525 HydrophobicContact CD1-CD2 4.17Å; L471-W525 HydrophobicContact CD1-CG 3.65Å; L471-W525 HydrophobicContact CG-CB 4.23Å; L471-W525 HydrophobicContact CG-CG 4.31Å; L471-E526 PolarHBondContact N-O 3.15Å; L471-K528 PolarHBondContact O-N 2.94Å
472	Y	91.4	Very high	88.7	Confident	143 Å²	143	70.5 Å²	70.5	56%	0.561	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.5	173.5	-65.8	-95.5	0	0	0	108.4	R470 K528	R470-Y472 HydrophobicContact CG-CE2 4.11Å; Y472-K528 CarbonylContact C-O 3.56Å; Y472-K528 VanDerWaalsContact CA-O 3.26Å; Y472-K528 WeakPolarHBondContact CA-O 3.31Å; Y472-K528 HydrophobicContact CD1-CB 3.87Å; Y472-K528 HydrophobicContact CD1-CD 4.46Å; Y472-K528 HydrophobicContact CE1-CB 4.07Å; Y472-K528 HydrophobicContact CE1-CD 3.79Å; Y472-K528 HydrophobicContact CE1-CG 4.43Å
473	I	93.1	Very high	88.8	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.9	-171.2	-57.6	179.3	0	0	0	109.5	L471 V495 V499 C527 K528 F529 I530	L471-I473 HydrophobicContact CB-CG1 4.35Å; I473-V495 HydrophobicContact CD1-CG1 4.21Å; I473-V495 HydrophobicContact CG2-CB 4.47Å; I473-V495 HydrophobicContact CG2-CG1 4.05Å; I473-V495 HydrophobicContact CG2-CG2 4.04Å; I473-V499 HydrophobicContact CD1-CG2 3.51Å; I473-V499 HydrophobicContact CG1-CG2 4.35Å; I473-C527 VanDerWaalsContact CD1-SG 3.54Å; I473-K528 PolarHBondContact N-O 2.89Å; I473-F529 HydrophobicContact CB-CD1 3.74Å; I473-F529 HydrophobicContact CB-CE1 3.84Å; I473-F529 HydrophobicContact CD1-CE1 4.09Å; I473-F529 HydrophobicContact CG2-CD1 4Å; I473-F529 HydrophobicContact CG2-CE1 3.9Å; I473-F529 CarbonylContact O-C 3.47Å; I473-F529 VanDerWaalsContact O-CA 3.3Å; I473-F529 WeakPolarHBondContact O-CA 3.26Å; I473-I530 PolarHBondContact O-N 3.39Å
474	N	93	Very high	89.1	Confident	27 Å²	27	72.4 Å²	72.4	14%	0.144	34%	0.336	C	S	.	.			trans	-96.2	96	174.1	-165.5	-37.7	0	0	0	110.5	R476 L477 A478 Q498 I530	N474-R476 PolarHBondContact OD1-N 3.45Å; N474-L477 HydrophobicContact CB-CB 4.33Å; N474-L477 HydrophobicContact CB-CD1 4.17Å; N474-L477 HydrophobicContact CB-CG 4.34Å; N474-L477 PolarHBondContact OD1-N 3.48Å; N474-L477 VanDerWaalsContact OD1-N 3.1Å; N474-A478 PolarHBondContact O-N 3.02Å; N474-Q498 PolarHBondContact O-NE2 3.3Å; N474-I530 HydrophobicContact CB-CD1 4.09Å
475	R	89.9	Confident	89.6	Confident	32 Å²	32	69.6 Å²	69.6	12%	0.121	33%	0.326	C	S	.	.	H	α-helix	trans	-69.2	-30.7	178.5	-81.6	176.4	159	171.7	-3.1	114.1	L477 A478 M479 F529 E532 D543 D547	R475-L477 PolarHBondContact O-N 2.63Å; R475-A478 PolarHBondContact O-N 3.19Å; R475-M479 WeakPolarHBondContact O-CB 3.26Å; R475-M479 PolarHBondContact O-N 2.85Å; R475-F529 VanDerWaalsContact CD-CD1 3.49Å; R475-F529 HydrophobicContact CG-CD1 3.61Å; R475-F529 HydrophobicContact CG-CE1 3.85Å; R475-F529 HydrophobicContact CG-CG 4.32Å; R475-F529 VanDerWaalsContact NE-CZ 3.3Å; R475-F529 VanDerWaalsContact NH1-CD2 3.27Å; R475-F529 VanDerWaalsContact NH2-CE2 3.29Å; R475-E532 WeakPolarHBondContact CB-OE1 3.38Å; R475-E532 VanDerWaalsContact CD-OE1 3.23Å; R475-E532 WeakPolarHBondContact CD-OE1 3.49Å; R475-E532 IonicContact NH1-OE2 3.76Å; R475-E532 PolarHBondContact NH1-OE2 3.45Å; R475-E532 VanDerWaalsContact NH1-OE2 3.14Å; R475-D543 IonicContact NH2-OD2 2.95Å; R475-D547 IonicContact CZ-OD2 2.76Å; R475-D547 IonicContact NE-OD2 2.85Å; R475-D547 PolarHBondContact NE-OD2 2.97Å; R475-D547 IonicContact NH2-OD1 3.8Å; R475-D547 IonicContact NH2-OD2 3.27Å; R475-D547 PolarHBondContact NH2-OD2 3.28Å
476	R	89.4	Confident	90.1	Very high	144 Å²	144	71.9 Å²	71.9	54%	0.543	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-46	176.8	-175.5	177.9	63.2	83.7	-3.2	111.1	N474 A478 M479 E480	N474-R476 PolarHBondContact OD1-N 3.45Å; R476-A478 VanDerWaalsContact C-N 3.33Å; R476-M479 PolarHBondContact O-N 3.3Å; R476-E480 IonicContact CZ-OE1 3.61Å; R476-E480 IonicContact NH1-OE1 2.69Å; R476-E480 PolarHBondContact NH1-OE1 3.27Å; R476-E480 IonicContact NH1-OE2 3.11Å; R476-E480 WeakPolarHBondContact O-CG 3.5Å; R476-E480 PolarHBondContact O-N 2.61Å
477	L	92.3	Very high	90.6	Very high	47 Å²	47	71.3 Å²	71.3	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-66	-36.5	175.5	-68.7	-179.9	0	0	0	112.2	N474 R475 E480 H481 N493	N474-L477 HydrophobicContact CB-CB 4.33Å; N474-L477 HydrophobicContact CB-CD1 4.17Å; N474-L477 HydrophobicContact CB-CG 4.34Å; N474-L477 PolarHBondContact OD1-N 3.48Å; N474-L477 VanDerWaalsContact OD1-N 3.1Å; R475-L477 PolarHBondContact O-N 2.63Å; L477-E480 PolarHBondContact O-N 3.5Å; L477-H481 WeakPolarHBondContact O-CB 3.32Å; L477-H481 PolarHBondContact O-N 3.32Å; L477-N493 HydrophobicContact CB-CB 4.17Å
478	A	92.7	Very high	91	Very high	5 Å²	5	63.3 Å²	63.3	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-39.4	175.6	0	0	0	0	0	112.2	N474 R475 R476 H481 R482 N493 V495	N474-A478 PolarHBondContact O-N 3.02Å; R475-A478 PolarHBondContact O-N 3.19Å; R476-A478 VanDerWaalsContact C-N 3.33Å; A478-H481 WeakPolarHBondContact O-CB 3.47Å; A478-H481 PolarHBondContact O-N 2.77Å; A478-R482 VanDerWaalsContact O-CB 3.31Å; A478-R482 WeakPolarHBondContact O-CB 3.47Å; A478-R482 PolarHBondContact O-N 3.27Å; A478-N493 VanDerWaalsContact CA-O 3.25Å; A478-N493 WeakPolarHBondContact CA-O 3.24Å; A478-N493 WeakPolarHBondContact CB-O 3.38Å; A478-N493 PolarHBondContact N-O 2.9Å; A478-V495 HydrophobicContact CB-CG2 3.53Å
479	M	89.9	Confident	91.2	Very high	112 Å²	112	66.3 Å²	66.3	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-64.4	-46.9	174.7	-174.9	176.2	67.5	0	0	111.4	R475 R476 H481 R482 D483	R475-M479 WeakPolarHBondContact O-CB 3.26Å; R475-M479 PolarHBondContact O-N 2.85Å; R476-M479 PolarHBondContact O-N 3.3Å; M479-H481 VanDerWaalsContact C-N 3.29Å; M479-H481 PolarHBondContact O-N 3.11Å; M479-R482 PolarHBondContact O-N 3.44Å; M479-R482 VanDerWaalsContact O-N 3.16Å; M479-D483 PolarHBondContact O-N 2.89Å
480	E	91.4	Very high	91.3	Very high	91 Å²	91	68.1 Å²	68.1	43%	0.425	34%	0.341	S	S	.	.	H	α-helix	trans	-58.6	-41.1	174.4	-71.9	169.7	-162.9	0	0	111.9	R476 L477 N484	R476-E480 IonicContact CZ-OE1 3.61Å; R476-E480 IonicContact NH1-OE1 2.69Å; R476-E480 PolarHBondContact NH1-OE1 3.27Å; R476-E480 IonicContact NH1-OE2 3.11Å; R476-E480 WeakPolarHBondContact O-CG 3.5Å; R476-E480 PolarHBondContact O-N 2.61Å; L477-E480 PolarHBondContact O-N 3.5Å; E480-N484 PolarHBondContact O-N 3.1Å
481	H	93.4	Very high	91.5	Very high	5 Å²	5	63 Å²	63	2%	0.023	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-44.5	174.3	175.7	69.1	0	0	0	111.9	L477 A478 M479 D483 N484 P485 D488 N493 P562	L477-H481 WeakPolarHBondContact O-CB 3.32Å; L477-H481 PolarHBondContact O-N 3.32Å; A478-H481 WeakPolarHBondContact O-CB 3.47Å; A478-H481 PolarHBondContact O-N 2.77Å; M479-H481 VanDerWaalsContact C-N 3.29Å; M479-H481 PolarHBondContact O-N 3.11Å; H481-D483 VanDerWaalsContact C-N 3.33Å; H481-D483 PolarHBondContact O-N 3.08Å; H481-N484 CarbonylContact O-C 3.49Å; H481-N484 PolarHBondContact O-N 3.12Å; H481-P485 WeakPolarHBondContact O-CA 3.29Å; H481-P485 VanDerWaalsContact O-CD 3.25Å; H481-P485 WeakPolarHBondContact O-CD 3.41Å; H481-P485 VanDerWaalsContact O-CG 3.31Å; H481-P485 WeakPolarHBondContact O-CG 3.47Å; H481-D488 PolarHBondContact CE1-O 2.94Å; H481-D488 IonicContact ND1-OD2 3.81Å; H481-N493 HydrophobicContact CB-CB 4.07Å; H481-P562 PolarHBondContact NE2-O 3.34Å
482	R	90.4	Very high	91.6	Very high	73 Å²	73	69 Å²	69	28%	0.275	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-40.3	179.3	-178.7	179.5	177.1	-177.9	1.7	112.1	A478 M479 N484 E550 P560 P562	A478-R482 VanDerWaalsContact O-CB 3.31Å; A478-R482 WeakPolarHBondContact O-CB 3.47Å; A478-R482 PolarHBondContact O-N 3.27Å; M479-R482 PolarHBondContact O-N 3.44Å; M479-R482 VanDerWaalsContact O-N 3.16Å; R482-N484 VanDerWaalsContact C-N 3.35Å; R482-E550 VanDerWaalsContact CZ-CG 3.45Å; R482-E550 IonicContact CZ-OE1 3.96Å; R482-E550 IonicContact NH1-OE1 3.99Å; R482-E550 IonicContact NH2-OE1 2.72Å; R482-E550 PolarHBondContact NH2-OE1 2.87Å; R482-P560 VanDerWaalsContact O-CG 3.32Å; R482-P560 WeakPolarHBondContact O-CG 3.21Å; R482-P562 HydrophobicContact CG-CG 3.96Å
483	D	89.8	Confident	91.7	Very high	116 Å²	116	64.3 Å²	64.3	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-67.6	-36.8	178.5	-72.3	-16.6	0	0	0	111.8	M479 H481	M479-D483 PolarHBondContact O-N 2.89Å; H481-D483 VanDerWaalsContact C-N 3.33Å; H481-D483 PolarHBondContact O-N 3.08Å
484	N	91.1	Very high	91.9	Very high	68 Å²	68	64.3 Å²	64.3	36%	0.364	33%	0.334	S	S	.	.			trans	-143.9	84.5	176.7	-169.2	-3.5	0	0	0	113.1	E480 H481 R482 S486 L487	E480-N484 PolarHBondContact O-N 3.1Å; H481-N484 CarbonylContact O-C 3.49Å; H481-N484 PolarHBondContact O-N 3.12Å; R482-N484 VanDerWaalsContact C-N 3.35Å; N484-S486 PolarHBondContact O-N 3.13Å; N484-S486 PolarHBondContact OD1-N 3.25Å; N484-S486 PolarHBondContact OD1-OG 2.65Å; N484-L487 HydrophobicContact CB-CD1 4.06Å; N484-L487 HydrophobicContact CB-CG 4.24Å; N484-L487 PolarHBondContact O-N 3.21Å; N484-L487 VanDerWaalsContact O-N 3.17Å
485	P	92.8	Very high	92	Very high	22 Å²	22	63.1 Å²	63.1	14%	0.143	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-63.1	-18.5	-176.4	-25.3	34.8	0	0	0	114	H481 L487 D488 P560 M561	H481-P485 WeakPolarHBondContact O-CA 3.29Å; H481-P485 VanDerWaalsContact O-CD 3.25Å; H481-P485 WeakPolarHBondContact O-CD 3.41Å; H481-P485 VanDerWaalsContact O-CG 3.31Å; H481-P485 WeakPolarHBondContact O-CG 3.47Å; P485-L487 PolarHBondContact O-N 3.34Å; P485-D488 CarbonylContact O-C 3.52Å; P485-D488 PolarHBondContact O-N 3.11Å; P485-P560 HydrophobicContact CG-CB 4.02Å; P485-P560 HydrophobicContact CG-CG 3.98Å; P485-M561 WeakPolarHBondContact CG-O 3.28Å
486	S	91.4	Very high	92.4	Very high	84 Å²	84	61.6 Å²	61.6	59%	0.587	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20.2	179.4	74.4	0	0	0	0	113.8	N484 D488	N484-S486 PolarHBondContact O-N 3.13Å; N484-S486 PolarHBondContact OD1-N 3.25Å; N484-S486 PolarHBondContact OD1-OG 2.65Å; S486-D488 VanDerWaalsContact C-N 3.35Å
487	L	92	Very high	92.7	Very high	136 Å²	136	55 Å²	55	71%	0.712	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-77	-22.5	178.6	-62.7	178.7	0	0	0	112.9	N484 P485	N484-L487 HydrophobicContact CB-CD1 4.06Å; N484-L487 HydrophobicContact CB-CG 4.24Å; N484-L487 PolarHBondContact O-N 3.21Å; N484-L487 VanDerWaalsContact O-N 3.17Å; P485-L487 PolarHBondContact O-N 3.34Å
488	D	91.9	Very high	92.9	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.053	30%	0.295	C	S	.	.			trans	-130.5	79.1	173.1	176.4	22.6	0	0	0	110.7	H481 P485 S486 S490 C491 K492 N493	H481-D488 PolarHBondContact CE1-O 2.94Å; H481-D488 IonicContact ND1-OD2 3.81Å; P485-D488 CarbonylContact O-C 3.52Å; P485-D488 PolarHBondContact O-N 3.11Å; S486-D488 VanDerWaalsContact C-N 3.35Å; D488-S490 PolarHBondContact O-N 3.39Å; D488-S490 PolarHBondContact OD1-N 2.89Å; D488-S490 PolarHBondContact OD1-OG 2.92Å; D488-C491 PolarHBondContact O-N 3.17Å; D488-C491 PolarHBondContact OD1-N 3.33Å; D488-K492 VanDerWaalsContact OD2-CG 3.28Å; D488-K492 WeakPolarHBondContact OD2-CG 3.49Å; D488-K492 PolarHBondContact OD2-N 3.38Å; D488-N493 WeakPolarHBondContact OD2-CB 3.44Å; D488-N493 PolarHBondContact OD2-N 2.66Å
489	P	89.5	Confident	93.1	Very high	113 Å²	113	54.4 Å²	54.4	73%	0.734	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.4	178.6	-22.8	33.9	0	0	0	114.1	C491	P489-C491 VanDerWaalsContact C-N 3.29Å
490	S	90.1	Very high	93.4	Very high	73 Å²	73	50.9 Å²	50.9	51%	0.51	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.3	175.3	71.1	0	0	0	0	113.2	D488 K492	D488-S490 PolarHBondContact O-N 3.39Å; D488-S490 PolarHBondContact OD1-N 2.89Å; D488-S490 PolarHBondContact OD1-OG 2.92Å; S490-K492 PolarHBondContact O-N 3.38Å; S490-K492 VanDerWaalsContact O-N 3.14Å; S490-K492 WeakPolarHBondContact OG-CG 3.12Å
491	C	93.4	Very high	93.5	Very high	14 Å²	14	51.4 Å²	51.4	10%	0.095	28%	0.276	C	S	.	.			trans	55.1	22.8	-175.5	-50.4	0	0	0	0	113.6	D488 P489 N493 A494 S497 L563	D488-C491 PolarHBondContact O-N 3.17Å; D488-C491 PolarHBondContact OD1-N 3.33Å; P489-C491 VanDerWaalsContact C-N 3.29Å; C491-N493 PolarHBondContact O-N 3.37Å; C491-A494 WeakPolarHBondContact O-CB 3.08Å; C491-A494 PolarHBondContact O-N 3.19Å; C491-S497 WeakPolarHBondContact O-CB 3.41Å; C491-S497 PolarHBondContact O-OG 2.98Å; C491-L563 HydrophobicContact CB-CD2 3.96Å
492	K	93.9	Very high	93.4	Very high	134 Å²	134	53.3 Å²	53.3	58%	0.583	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.7	-176.1	67	-178.6	177.7	-179.5	0	112.5	D488 S490	D488-K492 VanDerWaalsContact OD2-CG 3.28Å; D488-K492 WeakPolarHBondContact OD2-CG 3.49Å; D488-K492 PolarHBondContact OD2-N 3.38Å; S490-K492 PolarHBondContact O-N 3.38Å; S490-K492 VanDerWaalsContact O-N 3.14Å; S490-K492 WeakPolarHBondContact OG-CG 3.12Å
493	N	94.7	Very high	93.5	Very high	44 Å²	44	50.8 Å²	50.8	24%	0.235	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.1	-178.1	-69.2	-22.2	0	0	0	113	L477 A478 H481 D488 C491 Q498	L477-N493 HydrophobicContact CB-CB 4.17Å; A478-N493 VanDerWaalsContact CA-O 3.25Å; A478-N493 WeakPolarHBondContact CA-O 3.24Å; A478-N493 WeakPolarHBondContact CB-O 3.38Å; A478-N493 PolarHBondContact N-O 2.9Å; H481-N493 HydrophobicContact CB-CB 4.07Å; D488-N493 WeakPolarHBondContact OD2-CB 3.44Å; D488-N493 PolarHBondContact OD2-N 2.66Å; C491-N493 PolarHBondContact O-N 3.37Å; N493-Q498 PolarHBondContact O-NE2 2.89Å
494	A	96.3	Very high	93.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-61.4	142.7	174.1	0	0	0	0	0	110.9	C491 F496 S497 Q498 E551 L563	C491-A494 WeakPolarHBondContact O-CB 3.08Å; C491-A494 PolarHBondContact O-N 3.19Å; A494-F496 PolarHBondContact O-N 2.85Å; A494-S497 PolarHBondContact O-N 3.36Å; A494-S497 VanDerWaalsContact O-N 3.1Å; A494-Q498 WeakPolarHBondContact O-CG 3.45Å; A494-Q498 PolarHBondContact O-N 3.26Å; A494-E551 WeakPolarHBondContact CA-OE1 3.37Å; A494-L563 HydrophobicContact CB-CD2 3.72Å
495	V	96.8	Very high	93	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-53.3	-43.2	175.3	176.9	0	0	0	0	110.3	I473 A478 S497 Q498 V499 D547 M548 E551	I473-V495 HydrophobicContact CD1-CG1 4.21Å; I473-V495 HydrophobicContact CG2-CB 4.47Å; I473-V495 HydrophobicContact CG2-CG1 4.05Å; I473-V495 HydrophobicContact CG2-CG2 4.04Å; A478-V495 HydrophobicContact CB-CG2 3.53Å; V495-S497 VanDerWaalsContact C-N 3.34Å; V495-S497 PolarHBondContact O-N 3.4Å; V495-Q498 PolarHBondContact O-N 3.06Å; V495-V499 HydrophobicContact CG1-CG2 4.06Å; V495-V499 VanDerWaalsContact O-CG2 3.3Å; V495-V499 WeakPolarHBondContact O-CG2 3.36Å; V495-V499 PolarHBondContact O-N 3.45Å; V495-D547 HydrophobicContact CB-CB 4.17Å; V495-D547 HydrophobicContact CG1-CB 4.07Å; V495-D547 HydrophobicContact CG2-CB 3.96Å; V495-M548 HydrophobicContact CB-CG 4.5Å; V495-M548 HydrophobicContact CG1-CG 3.96Å; V495-E551 VanDerWaalsContact N-CD 3.28Å; V495-E551 PolarHBondContact N-OE1 2.9Å; V495-E551 PolarHBondContact N-OE2 2.81Å
496	F	97.3	Very high	92.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-53.6	-48.5	176.9	-179	-87.2	0	0	0	112.7	A494 Y500 M548 E551 L552 L563 F565 K592 W595 I596	A494-F496 PolarHBondContact O-N 2.85Å; F496-Y500 VanDerWaalsContact O-CB 3.29Å; F496-Y500 WeakPolarHBondContact O-CB 3.4Å; F496-Y500 PolarHBondContact O-N 2.84Å; F496-M548 HydrophobicContact CB-CG 4.08Å; F496-M548 HydrophobicContact CB-SD 4.39Å; F496-M548 HydrophobicContact CD2-CB 4.46Å; F496-M548 HydrophobicContact CD2-CG 4.35Å; F496-M548 HydrophobicContact CD2-SD 4.02Å; F496-E551 WeakPolarHBondContact CB-OE2 3.39Å; F496-E551 PolarHBondContact N-OE2 3.05Å; F496-L552 HydrophobicContact CD2-CD1 4.03Å; F496-L552 HydrophobicContact CD2-CD2 3.98Å; F496-L552 HydrophobicContact CD2-CG 4.14Å; F496-L552 HydrophobicContact CE2-CD1 4.04Å; F496-L552 HydrophobicContact CE2-CD2 3.95Å; F496-L552 HydrophobicContact CE2-CG 4.39Å; F496-L563 HydrophobicContact CB-CD1 3.58Å; F496-L563 HydrophobicContact CB-CD2 4.48Å; F496-L563 HydrophobicContact CD1-CD1 4.19Å; F496-L563 HydrophobicContact CD2-CD1 4.37Å; F496-L563 HydrophobicContact CG-CD1 3.8Å; F496-F565 AromaticContact CD1-CE2 3.68Å; F496-F565 HydrophobicContact CD1-CE2 3.68Å; F496-F565 HydrophobicContact CD1-CZ 4.4Å; F496-F565 HydrophobicContact CE1-CD2 4.16Å; F496-F565 AromaticContact CE1-CE2 3.4Å; F496-F565 HydrophobicContact CE1-CE2 3.4Å; F496-F565 VanDerWaalsContact CE1-CE2 3.4Å; F496-F565 AromaticContact CE1-CZ 3.94Å; F496-F565 HydrophobicContact CE1-CZ 3.94Å; F496-F565 HydrophobicContact CZ-CD2 4.4Å; F496-F565 HydrophobicContact CZ-CE2 4.06Å; F496-K592 HydrophobicContact CE1-CB 4.31Å; F496-K592 HydrophobicContact CE1-CD 4.33Å; F496-K592 HydrophobicContact CZ-CB 4.48Å; F496-W595 HydrophobicContact CD1-CZ3 4.21Å; F496-W595 HydrophobicContact CD2-CE3 4.45Å; F496-W595 AromaticContact CD2-CZ3 3.74Å; F496-W595 HydrophobicContact CD2-CZ3 3.74Å; F496-W595 HydrophobicContact CE1-CE3 4.01Å; F496-W595 AromaticContact CE1-CZ3 3.87Å; F496-W595 HydrophobicContact CE1-CZ3 3.87Å; F496-W595 AromaticContact CE2-CE3 3.64Å; F496-W595 HydrophobicContact CE2-CE3 3.64Å; F496-W595 HydrophobicContact CE2-CH2 4.49Å; F496-W595 AromaticContact CE2-CZ3 3.37Å; F496-W595 HydrophobicContact CE2-CZ3 3.37Å; F496-W595 HydrophobicContact CG-CZ3 4.15Å; F496-W595 AromaticContact CZ-CE3 3.39Å; F496-W595 HydrophobicContact CZ-CE3 3.39Å; F496-W595 AromaticContact CZ-CZ3 3.46Å; F496-W595 HydrophobicContact CZ-CZ3 3.46Å; F496-W595 VanDerWaalsContact CZ-CZ3 3.46Å; F496-I596 HydrophobicContact CE2-CD1 4.17Å; F496-I596 HydrophobicContact CE2-CG1 3.64Å; F496-I596 HydrophobicContact CZ-CD1 3.98Å; F496-I596 HydrophobicContact CZ-CG1 3.66Å
497	S	96.3	Very high	91.4	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-70.9	-38.9	179.7	-62.5	0	0	0	0	111.9	C491 A494 V495 V499 Y500 E501	C491-S497 WeakPolarHBondContact O-CB 3.41Å; C491-S497 PolarHBondContact O-OG 2.98Å; A494-S497 PolarHBondContact O-N 3.36Å; A494-S497 VanDerWaalsContact O-N 3.1Å; V495-S497 VanDerWaalsContact C-N 3.34Å; V495-S497 PolarHBondContact O-N 3.4Å; S497-V499 VanDerWaalsContact C-N 3.34Å; S497-V499 PolarHBondContact O-N 3.48Å; S497-Y500 PolarHBondContact O-N 2.88Å; S497-E501 WeakPolarHBondContact O-CB 3.31Å; S497-E501 VanDerWaalsContact O-CG 3.31Å; S497-E501 WeakPolarHBondContact O-CG 3.28Å; S497-E501 PolarHBondContact O-N 3.4Å
498	Q	96.8	Very high	90.4	Very high	38 Å²	38	57 Å²	57	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-43.1	176.1	-69	-175.7	65.6	0	0	111.5	N474 N493 A494 V495 G502	N474-Q498 PolarHBondContact O-NE2 3.3Å; N493-Q498 PolarHBondContact O-NE2 2.89Å; A494-Q498 WeakPolarHBondContact O-CG 3.45Å; A494-Q498 PolarHBondContact O-N 3.26Å; V495-Q498 PolarHBondContact O-N 3.06Å; Q498-G502 PolarHBondContact O-N 2.81Å
499	V	96.1	Very high	89.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-47.4	175.8	175.1	0	0	0	0	110.7	L471 I473 V495 S497 E501 G502 L503 W525 M548 W595	L471-V499 HydrophobicContact CD1-CB 4.24Å; L471-V499 HydrophobicContact CD1-CG1 3.78Å; L471-V499 HydrophobicContact CD1-CG2 4.13Å; I473-V499 HydrophobicContact CD1-CG2 3.51Å; I473-V499 HydrophobicContact CG1-CG2 4.35Å; V495-V499 HydrophobicContact CG1-CG2 4.06Å; V495-V499 VanDerWaalsContact O-CG2 3.3Å; V495-V499 WeakPolarHBondContact O-CG2 3.36Å; V495-V499 PolarHBondContact O-N 3.45Å; S497-V499 VanDerWaalsContact C-N 3.34Å; S497-V499 PolarHBondContact O-N 3.48Å; V499-E501 PolarHBondContact O-N 2.68Å; V499-G502 PolarHBondContact O-N 2.67Å; V499-L503 HydrophobicContact CG1-CD1 3.75Å; V499-L503 HydrophobicContact CG1-CG 4.32Å; V499-L503 WeakPolarHBondContact O-CB 3.29Å; V499-L503 WeakPolarHBondContact O-CG 3.19Å; V499-L503 PolarHBondContact O-N 3.16Å; V499-W525 HydrophobicContact CG1-CH2 4.35Å; V499-W525 HydrophobicContact CG1-CZ2 4.12Å; V499-M548 HydrophobicContact CB-SD 3.95Å; V499-M548 HydrophobicContact CG1-CE 4.31Å; V499-M548 HydrophobicContact CG1-SD 4.06Å; V499-M548 HydrophobicContact CG2-SD 4.12Å; V499-W595 HydrophobicContact CB-CH2 4.11Å; V499-W595 HydrophobicContact CG1-CH2 3.69Å; V499-W595 HydrophobicContact CG1-CZ2 3.9Å
500	Y	95.3	Very high	88.6	Confident	38 Å²	38	64.3 Å²	64.3	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-48.1	179.9	-177.2	-111.9	0	0	0	112.3	F496 S497 K504 H591 K592 W595	F496-Y500 VanDerWaalsContact O-CB 3.29Å; F496-Y500 WeakPolarHBondContact O-CB 3.4Å; F496-Y500 PolarHBondContact O-N 2.84Å; S497-Y500 PolarHBondContact O-N 2.88Å; Y500-K504 VanDerWaalsContact CE1-CE 3.47Å; Y500-H591 PolarHBondContact OH-CD2 2.97Å; Y500-K592 HydrophobicContact CD1-CG 4.43Å; Y500-K592 HydrophobicContact CE1-CG 4.16Å; Y500-W595 HydrophobicContact CD2-CB 4.1Å; Y500-W595 AromaticContact CD2-CD2 3.35Å; Y500-W595 HydrophobicContact CD2-CD2 3.35Å; Y500-W595 AromaticContact CD2-CE2 3.89Å; Y500-W595 AromaticContact CD2-CE3 3.35Å; Y500-W595 HydrophobicContact CD2-CE3 3.35Å; Y500-W595 AromaticContact CD2-CG 3.68Å; Y500-W595 HydrophobicContact CD2-CG 3.68Å; Y500-W595 HydrophobicContact CD2-CH2 4.37Å; Y500-W595 HydrophobicContact CD2-CZ2 4.39Å; Y500-W595 AromaticContact CD2-CZ3 3.88Å; Y500-W595 HydrophobicContact CD2-CZ3 3.88Å; Y500-W595 HydrophobicContact CE2-CB 3.73Å; Y500-W595 AromaticContact CE2-CD2 3.92Å; Y500-W595 HydrophobicContact CE2-CD2 3.92Å; Y500-W595 HydrophobicContact CE2-CE3 4.17Å; Y500-W595 AromaticContact CE2-CG 3.7Å; Y500-W595 HydrophobicContact CE2-CG 3.7Å; Y500-W595 HydrophobicContact CG-CD2 4.4Å; Y500-W595 HydrophobicContact CG-CE3 4.03Å; Y500-W595 HydrophobicContact CG-CZ3 4.18Å
501	E	93.5	Very high	87.8	Confident	102 Å²	102	69.8 Å²	69.8	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-70.5	-38.8	178.7	-65.7	-59.7	141.6	0	0	111.7	S497 V499 L503 K504	S497-E501 WeakPolarHBondContact O-CB 3.31Å; S497-E501 VanDerWaalsContact O-CG 3.31Å; S497-E501 WeakPolarHBondContact O-CG 3.28Å; S497-E501 PolarHBondContact O-N 3.4Å; V499-E501 PolarHBondContact O-N 2.68Å; E501-L503 VanDerWaalsContact C-N 3.28Å; E501-L503 PolarHBondContact O-N 3.17Å; E501-K504 WeakPolarHBondContact O-CB 3.25Å; E501-K504 PolarHBondContact O-N 2.86Å; E501-K504 WeakPolarHBondContact OE1-CE 3.02Å; E501-K504 IonicContact OE1-NZ 2.81Å; E501-K504 PolarHBondContact OE1-NZ 3.26Å; E501-K504 WeakPolarHBondContact OE2-CD 3.49Å; E501-K504 VanDerWaalsContact OE2-CE 3.3Å; E501-K504 WeakPolarHBondContact OE2-CE 3.29Å; E501-K504 IonicContact OE2-NZ 2.94Å; E501-K504 PolarHBondContact OE2-NZ 3.23Å
502	G	92.1	Very high	87.3	Confident	45 Å²	45	74.2 Å²	74.2	46%	0.464	38%	0.378	S	S	.	.	H	α-helix	trans	-68.9	-23.2	-180	0	0	0	0	0	114.4	L471 Q498 V499	L471-G502 VanDerWaalsContact CD2-C 3.4Å; L471-G502 WeakPolarHBondContact CD2-O 3.47Å; Q498-G502 PolarHBondContact O-N 2.81Å; V499-G502 PolarHBondContact O-N 2.67Å
503	L	92	Very high	86.9	Confident	21 Å²	21	69.3 Å²	69.3	11%	0.11	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.4	175.1	-68.6	176.9	0	0	0	113.7	P469 L471 V499 E501 L513 W525 W595	P469-L503 HydrophobicContact CB-CD2 3.84Å; P469-L503 HydrophobicContact CG-CD2 3.71Å; L471-L503 HydrophobicContact CD1-CD1 4.46Å; L471-L503 HydrophobicContact CD1-CD2 3.99Å; L471-L503 HydrophobicContact CD1-CG 3.97Å; L471-L503 HydrophobicContact CD2-CD2 3.88Å; L471-L503 HydrophobicContact CD2-CG 4.09Å; L471-L503 HydrophobicContact CG-CD2 4.2Å; V499-L503 HydrophobicContact CG1-CD1 3.75Å; V499-L503 HydrophobicContact CG1-CG 4.32Å; V499-L503 WeakPolarHBondContact O-CB 3.29Å; V499-L503 WeakPolarHBondContact O-CG 3.19Å; V499-L503 PolarHBondContact O-N 3.16Å; E501-L503 VanDerWaalsContact C-N 3.28Å; E501-L503 PolarHBondContact O-N 3.17Å; L503-L513 HydrophobicContact CD2-CD2 4.18Å; L503-W525 HydrophobicContact CD1-CD2 4.34Å; L503-W525 HydrophobicContact CD1-CE3 3.75Å; L503-W525 HydrophobicContact CD1-CZ3 4.07Å; L503-W525 HydrophobicContact CD2-CB 4.07Å; L503-W595 HydrophobicContact CD1-CZ2 4.04Å
504	K	87.9	Confident	86.5	Confident	86 Å²	86	69.4 Å²	69.4	37%	0.374	36%	0.359	S	S	.	.	S	Bend	trans	-66.1	139.8	175.1	-72.8	-177.3	-175.9	169.7	0	110	Y500 E501 S506	Y500-K504 VanDerWaalsContact CE1-CE 3.47Å; E501-K504 WeakPolarHBondContact O-CB 3.25Å; E501-K504 PolarHBondContact O-N 2.86Å; E501-K504 WeakPolarHBondContact OE1-CE 3.02Å; E501-K504 IonicContact OE1-NZ 2.81Å; E501-K504 PolarHBondContact OE1-NZ 3.26Å; E501-K504 WeakPolarHBondContact OE2-CD 3.49Å; E501-K504 VanDerWaalsContact OE2-CE 3.3Å; E501-K504 WeakPolarHBondContact OE2-CE 3.29Å; E501-K504 IonicContact OE2-NZ 2.94Å; E501-K504 PolarHBondContact OE2-NZ 3.23Å; K504-S506 PolarHBondContact O-N 3.35Å
505	P	82.2	Confident	86.2	Confident	47 Å²	47	69.9 Å²	69.9	31%	0.305	36%	0.361	S	S	.	.			trans	-53.8	132.3	173.3	-23.7	32.8	0	0	0	110.8	D507 E510 T512	P505-D507 VanDerWaalsContact C-N 3.33Å; P505-E510 HydrophobicContact CB-CB 3.92Å; P505-E510 HydrophobicContact CB-CG 4.11Å; P505-E510 WeakPolarHBondContact CB-O 3.36Å; P505-T512 HydrophobicContact CG-CG2 4.03Å
506	S	74.8	Confident	86	Confident	123 Å²	123	72.4 Å²	72.4	86%	0.86	37%	0.37	S	S	*	.	S	Bend	trans	-78.9	-22.3	-179.6	-68.2	0	0	0	0	111.9	K504 E510	K504-S506 PolarHBondContact O-N 3.35Å; S506-E510 PolarHBondContact N-OE2 2.96Å
507	D	75.6	Confident	85.5	Confident	92 Å²	92	72.9 Å²	72.9	49%	0.492	37%	0.372	S	S	.	.	S	Bend	trans	-122.6	149.8	175.7	-169.8	2.1	0	0	0	111.3	P505 H509 E510	P505-D507 VanDerWaalsContact C-N 3.33Å; D507-H509 PolarHBondContact O-N 2.79Å; D507-H509 VanDerWaalsContact O-N 3.15Å; D507-H509 IonicContact OD1-ND1 3.5Å; D507-H509 PolarHBondContact OD1-ND1 2.59Å; D507-H509 IonicContact OD2-ND1 3.65Å; D507-E510 HydrophobicContact CB-CB 4.42Å; D507-E510 WeakPolarHBondContact O-CB 3.26Å; D507-E510 PolarHBondContact O-N 3.35Å; D507-E510 VanDerWaalsContact O-N 3.08Å
508	K	72.5	Confident	84.9	Confident	209 Å²	209	73 Å²	73	91%	0.909	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.3	178.2	-68.2	-177.3	178.2	-179.9	0	113.7
509	H	69.9	Low	83.9	Confident	164 Å²	164	73.5 Å²	73.5	76%	0.759	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-13.7	179.3	-55	94.6	0	0	0	112.9	D507	D507-H509 PolarHBondContact O-N 2.79Å; D507-H509 VanDerWaalsContact O-N 3.15Å; D507-H509 IonicContact OD1-ND1 3.5Å; D507-H509 PolarHBondContact OD1-ND1 2.59Å; D507-H509 IonicContact OD2-ND1 3.65Å
510	E	73.4	Confident	82.9	Confident	111 Å²	111	81.6 Å²	81.6	52%	0.519	41%	0.414	S	S	.	.	S	Bend	trans	-78.3	129.9	178.4	-176.1	172.9	-139.4	0	0	109.1	P505 S506 D507	P505-E510 HydrophobicContact CB-CB 3.92Å; P505-E510 HydrophobicContact CB-CG 4.11Å; P505-E510 WeakPolarHBondContact CB-O 3.36Å; S506-E510 PolarHBondContact N-OE2 2.96Å; D507-E510 HydrophobicContact CB-CB 4.42Å; D507-E510 WeakPolarHBondContact O-CB 3.26Å; D507-E510 PolarHBondContact O-N 3.35Å; D507-E510 VanDerWaalsContact O-N 3.08Å
511	K	73.9	Confident	82.2	Confident	188 Å²	188	83.1 Å²	83.1	82%	0.817	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-75.2	145	-179.2	-67.6	-177.5	-179.8	178.9	0	109.2
512	T	82.3	Confident	81.3	Confident	107 Å²	107	81.6 Å²	81.6	66%	0.656	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-54.4	141.8	167.4	51.4	0	0	0	0	110.2	P505 D514	P505-T512 HydrophobicContact CG-CG2 4.03Å; T512-D514 PolarHBondContact O-N 2.99Å
513	L	85.8	Confident	81	Confident	31 Å²	31	81.2 Å²	81.2	16%	0.162	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-54.6	127.3	178.6	-167.4	68.2	0	0	0	110.5	P465 P469 L503 Y515 W517	P465-L513 HydrophobicContact CG-CD1 4.02Å; P469-L513 HydrophobicContact CG-CD1 4.08Å; P469-L513 HydrophobicContact CG-CD2 4.01Å; L503-L513 HydrophobicContact CD2-CD2 4.18Å; L513-Y515 HydrophobicContact CD2-CE1 3.85Å; L513-Y515 HydrophobicContact CG-CE1 4.48Å; L513-W517 HydrophobicContact CD1-CH2 4Å; L513-W517 HydrophobicContact CD1-CZ2 3.65Å; L513-W517 HydrophobicContact CD2-CH2 4.49Å; L513-W517 HydrophobicContact CG-CH2 4.42Å; L513-W517 HydrophobicContact CG-CZ2 4.04Å
514	D	86.1	Confident	80.9	Confident	47 Å²	47	80.5 Å²	80.5	25%	0.251	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-86	147.5	171.4	-163.4	-18.3	0	0	0	109	T462 T512 R516 W517	T462-D514 VanDerWaalsContact CG2-OD2 3.27Å; T462-D514 WeakPolarHBondContact CG2-OD2 3.45Å; T462-D514 VanDerWaalsContact OG1-CG 3.32Å; T462-D514 PolarHBondContact OG1-OD2 3.36Å; T512-D514 PolarHBondContact O-N 2.99Å; D514-R516 WeakPolarHBondContact OD1-CB 3.4Å; D514-R516 VanDerWaalsContact OD1-CG 3.23Å; D514-R516 WeakPolarHBondContact OD1-CG 3.39Å; D514-R516 PolarHBondContact OD1-N 2.98Å; D514-R516 IonicContact OD1-NE 3.44Å; D514-R516 PolarHBondContact OD1-NE 2.86Å; D514-R516 VanDerWaalsContact OD1-NE 3.08Å; D514-R516 IonicContact OD2-CZ 3.9Å; D514-R516 VanDerWaalsContact OD2-CZ 3.31Å; D514-R516 IonicContact OD2-NE 2.65Å; D514-R516 PolarHBondContact OD2-NE 3.04Å; D514-R516 VanDerWaalsContact OD2-NE 3.13Å; D514-R516 IonicContact OD2-NH2 3.56Å; D514-R516 PolarHBondContact OD2-NH2 3.47Å; D514-W517 WeakPolarHBondContact O-CZ2 3.43Å; D514-W517 PolarHBondContact O-NE1 3.1Å
515	Y	90.5	Very high	81.1	Confident	9 Å²	9	76.4 Å²	76.4	4%	0.035	38%	0.379	C	S	.	.			trans	-116.7	9.1	178.8	-61.5	-81.4	0	0	0	112.7	L513 W517 W524 W525 W595 Q598 L599 A602 V720	L513-Y515 HydrophobicContact CD2-CE1 3.85Å; L513-Y515 HydrophobicContact CG-CE1 4.48Å; Y515-W517 PolarHBondContact O-N 2.94Å; Y515-W517 VanDerWaalsContact O-N 3.15Å; Y515-W524 HydrophobicContact CD1-CB 4.32Å; Y515-W524 HydrophobicContact CD1-CD2 4.32Å; Y515-W524 HydrophobicContact CD1-CG 4.07Å; Y515-W524 HydrophobicContact CE1-CB 4.2Å; Y515-W524 HydrophobicContact CE1-CG 4.37Å; Y515-W525 HydrophobicContact CE1-CZ3 4.33Å; Y515-W595 PolarHBondContact OH-NE1 2.86Å; Y515-W595 VanDerWaalsContact OH-NE1 3.14Å; Y515-Q598 HydrophobicContact CD2-CB 4.13Å; Y515-Q598 HydrophobicContact CE2-CB 4.24Å; Y515-L599 HydrophobicContact CE1-CD2 4.31Å; Y515-A602 HydrophobicContact CD1-CB 3.93Å; Y515-A602 HydrophobicContact CG-CB 4.05Å; Y515-V720 HydrophobicContact CD2-CG2 4.39Å
516	R	92.1	Very high	81.4	Confident	56 Å²	56	76.2 Å²	76.2	21%	0.211	37%	0.374	C	S	.	.			trans	-85.8	34.9	-177.3	-63.2	-178.6	-66.8	148.9	-4.9	113.2	S460 E461 T462 D514 R605 K719 V720	S460-R516 PolarHBondContact O-NH1 3.31Å; E461-R516 CarbonylContact C-O 3.38Å; E461-R516 VanDerWaalsContact CA-O 3.22Å; E461-R516 WeakPolarHBondContact CA-O 3.34Å; T462-R516 HydrophobicContact CG2-CB 4.4Å; T462-R516 PolarHBondContact N-O 2.98Å; D514-R516 WeakPolarHBondContact OD1-CB 3.4Å; D514-R516 VanDerWaalsContact OD1-CG 3.23Å; D514-R516 WeakPolarHBondContact OD1-CG 3.39Å; D514-R516 PolarHBondContact OD1-N 2.98Å; D514-R516 IonicContact OD1-NE 3.44Å; D514-R516 PolarHBondContact OD1-NE 2.86Å; D514-R516 VanDerWaalsContact OD1-NE 3.08Å; D514-R516 IonicContact OD2-CZ 3.9Å; D514-R516 VanDerWaalsContact OD2-CZ 3.31Å; D514-R516 IonicContact OD2-NE 2.65Å; D514-R516 PolarHBondContact OD2-NE 3.04Å; D514-R516 VanDerWaalsContact OD2-NE 3.13Å; D514-R516 IonicContact OD2-NH2 3.56Å; D514-R516 PolarHBondContact OD2-NH2 3.47Å; R516-R605 VanDerWaalsContact CB-NH1 3.29Å; R516-R605 VanDerWaalsContact CG-NH1 3.29Å; R516-R605 PolarHBondContact O-NH2 3.39Å; R516-K719 WeakPolarHBondContact CD-O 3.5Å; R516-V720 HydrophobicContact CG-CB 4.43Å; R516-V720 HydrophobicContact CG-CG1 4.11Å; R516-V720 WeakPolarHBondContact CG-O 3.46Å
517	W	87.4	Confident	82	Confident	9 Å²	9	70.4 Å²	70.4	3%	0.034	33%	0.334	C	S	.	.			trans	-79.8	158.2	-173.4	-53.8	-17	0	0	0	111.7	K464 P465 M468 L513 D514 Y515 Y521 Q523 W524	K464-W517 HydrophobicContact CB-CD2 4.04Å; K464-W517 HydrophobicContact CB-CE3 4.17Å; K464-W517 HydrophobicContact CB-CG 4.34Å; P465-W517 VanDerWaalsContact CD-CE2 3.46Å; P465-W517 VanDerWaalsContact CD-CH2 3.46Å; P465-W517 HydrophobicContact CG-CH2 3.88Å; P465-W517 HydrophobicContact CG-CZ2 3.78Å; M468-W517 HydrophobicContact CE-CH2 4.32Å; M468-W517 HydrophobicContact CE-CZ3 3.83Å; M468-W517 HydrophobicContact SD-CH2 3.9Å; M468-W517 HydrophobicContact SD-CZ3 3.96Å; L513-W517 HydrophobicContact CD1-CH2 4Å; L513-W517 HydrophobicContact CD1-CZ2 3.65Å; L513-W517 HydrophobicContact CD2-CH2 4.49Å; L513-W517 HydrophobicContact CG-CH2 4.42Å; L513-W517 HydrophobicContact CG-CZ2 4.04Å; D514-W517 WeakPolarHBondContact O-CZ2 3.43Å; D514-W517 PolarHBondContact O-NE1 3.1Å; Y515-W517 PolarHBondContact O-N 2.94Å; Y515-W517 VanDerWaalsContact O-N 3.15Å; W517-Y521 HydrophobicContact CB-CD2 4.27Å; W517-Q523 WeakPolarHBondContact CZ3-O 3.34Å; W517-W524 HydrophobicContact CZ3-CB 4.47Å
518	P	81.8	Confident	82.6	Confident	10 Å²	10	69.4 Å²	69.4	7%	0.065	33%	0.325	C	S	.	.			trans	-57.5	144.7	171.2	-23	28.5	0	0	0	112.3	E461 T462 R520 Y521	E461-P518 WeakPolarHBondContact OE2-CG 3.46Å; T462-P518 VanDerWaalsContact O-CD 3.29Å; T462-P518 WeakPolarHBondContact O-CD 3.46Å; P518-R520 HydrophobicContact CB-CG 4.19Å; P518-R520 VanDerWaalsContact CB-NH1 3.28Å; P518-R520 PolarHBondContact O-N 2.98Å; P518-Y521 HydrophobicContact CB-CD2 4.2Å; P518-Y521 HydrophobicContact CB-CE2 4.35Å; P518-Y521 HydrophobicContact CG-CD2 4.22Å; P518-Y521 HydrophobicContact CG-CE2 4.1Å; P518-Y521 PolarHBondContact O-N 3.49Å
519	A	77	Confident	83.3	Confident	49 Å²	49	59.9 Å²	59.9	41%	0.405	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.4	-174.8	0	0	0	0	0	115.7
520	R	75.4	Confident	84	Confident	169 Å²	169	56 Å²	56	64%	0.638	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.9	171.3	68.7	-178.8	178.1	-91.6	-0.7	113.4	P518	P518-R520 HydrophobicContact CB-CG 4.19Å; P518-R520 VanDerWaalsContact CB-NH1 3.28Å; P518-R520 PolarHBondContact O-N 2.98Å
521	Y	79.9	Confident	84.3	Confident	70 Å²	70	55.8 Å²	55.8	28%	0.275	28%	0.284	S	S	.	.			trans	-99.9	98.5	174.4	-56.8	-64.6	0	0	0	108.8	K464 W517 P518	K464-Y521 HydrophobicContact CB-CD2 4.35Å; K464-Y521 HydrophobicContact CB-CE2 4.39Å; K464-Y521 HydrophobicContact CD-CD1 3.82Å; K464-Y521 HydrophobicContact CD-CE1 3.52Å; K464-Y521 HydrophobicContact CD-CE2 4.3Å; K464-Y521 HydrophobicContact CD-CG 4.36Å; K464-Y521 HydrophobicContact CG-CE1 4.44Å; K464-Y521 HydrophobicContact CG-CE2 4.39Å; W517-Y521 HydrophobicContact CB-CD2 4.27Å; P518-Y521 HydrophobicContact CB-CD2 4.2Å; P518-Y521 HydrophobicContact CB-CE2 4.35Å; P518-Y521 HydrophobicContact CG-CD2 4.22Å; P518-Y521 HydrophobicContact CG-CE2 4.1Å; P518-Y521 PolarHBondContact O-N 3.49Å
522	D	74.8	Confident	84.5	Confident	70 Å²	70	49.4 Å²	49.4	37%	0.374	26%	0.257	S	S	.	.			trans	-96	7.7	-176.2	57.2	-6.2	0	0	0	113.4	F541 D608	D522-F541 WeakPolarHBondContact O-CE1 3.13Å; D522-D608 VanDerWaalsContact O-OD2 3.08Å
523	Q	86.6	Confident	83.5	Confident	37 Å²	37	45.6 Å²	45.6	17%	0.173	24%	0.24	C	C	.	.			trans	-129.8	123.6	179.5	-178.5	174.9	-0.9	0	0	110.9	M468 W517 W525 Q537 F541	M468-Q523 VanDerWaalsContact CE-O 3.22Å; M468-Q523 WeakPolarHBondContact CE-O 3.49Å; W517-Q523 WeakPolarHBondContact CZ3-O 3.34Å; Q523-W525 WeakPolarHBondContact CG-O 3.47Å; Q523-W525 PolarHBondContact NE2-O 2.67Å; Q523-Q537 PolarHBondContact NE2-O 2.86Å; Q523-F541 HydrophobicContact CB-CD1 4.44Å; Q523-F541 HydrophobicContact CG-CB 4.05Å; Q523-F541 HydrophobicContact CG-CD1 4.27Å; Q523-F541 HydrophobicContact CG-CD2 4.36Å; Q523-F541 HydrophobicContact CG-CG 3.97Å
524	W	89.1	Confident	82.4	Confident	7 Å²	7	45.8 Å²	45.8	3%	0.027	24%	0.241	C	C	.	.	S	Bend	trans	-95.4	-21.3	-178.4	-53.2	-42.9	0	0	0	114.5	M468 Y515 W517 F541 L545 A602 A603	M468-W524 VanDerWaalsContact SD-C 3.55Å; Y515-W524 HydrophobicContact CD1-CB 4.32Å; Y515-W524 HydrophobicContact CD1-CD2 4.32Å; Y515-W524 HydrophobicContact CD1-CG 4.07Å; Y515-W524 HydrophobicContact CE1-CB 4.2Å; Y515-W524 HydrophobicContact CE1-CG 4.37Å; W517-W524 HydrophobicContact CZ3-CB 4.47Å; W524-F541 HydrophobicContact CB-CE2 3.91Å; W524-F541 HydrophobicContact CB-CZ 4.33Å; W524-F541 AromaticContact CD2-CE2 3.97Å; W524-F541 HydrophobicContact CD2-CE2 3.97Å; W524-F541 AromaticContact CD2-CZ 3.65Å; W524-F541 HydrophobicContact CD2-CZ 3.65Å; W524-F541 AromaticContact CE3-CE2 3.59Å; W524-F541 HydrophobicContact CE3-CE2 3.59Å; W524-F541 AromaticContact CE3-CZ 3.4Å; W524-F541 HydrophobicContact CE3-CZ 3.4Å; W524-F541 HydrophobicContact CG-CE2 4.17Å; W524-F541 HydrophobicContact CG-CZ 4.11Å; W524-F541 HydrophobicContact CH2-CZ 4.38Å; W524-F541 HydrophobicContact CZ3-CE2 4.31Å; W524-F541 AromaticContact CZ3-CZ 3.81Å; W524-F541 HydrophobicContact CZ3-CZ 3.81Å; W524-L545 HydrophobicContact CE3-CD2 4.36Å; W524-L545 HydrophobicContact CH2-CD1 4.45Å; W524-L545 HydrophobicContact CZ3-CD1 3.88Å; W524-L545 HydrophobicContact CZ3-CD2 3.85Å; W524-L545 HydrophobicContact CZ3-CG 4.5Å; W524-A602 HydrophobicContact CD2-CB 4Å; W524-A602 HydrophobicContact CE3-CB 4.15Å; W524-A602 HydrophobicContact CH2-CB 3.62Å; W524-A602 HydrophobicContact CZ2-CB 3.4Å; W524-A602 VanDerWaalsContact CZ2-O 3.32Å; W524-A602 WeakPolarHBondContact CZ2-O 3.36Å; W524-A602 HydrophobicContact CZ3-CB 3.97Å; W524-A603 HydrophobicContact CH2-CB 4.23Å
525	W	91.2	Very high	81	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-152.3	155.9	175.4	54.4	83.8	0	0	0	110.8	P469 L471 V499 L503 Y515 Q523 F541 S544 L545 M548 L599	P469-W525 HydrophobicContact CG-CB 4.24Å; P469-W525 WeakPolarHBondContact O-CA 3.2Å; P469-W525 WeakPolarHBondContact O-CB 3.34Å; L471-W525 HydrophobicContact CD1-CB 4.04Å; L471-W525 HydrophobicContact CD1-CD2 4.17Å; L471-W525 HydrophobicContact CD1-CG 3.65Å; L471-W525 HydrophobicContact CG-CB 4.23Å; L471-W525 HydrophobicContact CG-CG 4.31Å; V499-W525 HydrophobicContact CG1-CH2 4.35Å; V499-W525 HydrophobicContact CG1-CZ2 4.12Å; L503-W525 HydrophobicContact CD1-CD2 4.34Å; L503-W525 HydrophobicContact CD1-CE3 3.75Å; L503-W525 HydrophobicContact CD1-CZ3 4.07Å; L503-W525 HydrophobicContact CD2-CB 4.07Å; Y515-W525 HydrophobicContact CE1-CZ3 4.33Å; Q523-W525 WeakPolarHBondContact CG-O 3.47Å; Q523-W525 PolarHBondContact NE2-O 2.67Å; W525-F541 AromaticContact CD1-CD2 3.91Å; W525-F541 AromaticContact CD2-CD2 3.81Å; W525-F541 HydrophobicContact CD2-CD2 3.81Å; W525-F541 AromaticContact CD2-CE2 3.87Å; W525-F541 HydrophobicContact CD2-CE2 3.87Å; W525-F541 AromaticContact CE2-CD2 3.5Å; W525-F541 VanDerWaalsContact CE2-CD2 3.5Å; W525-F541 AromaticContact CE2-CE2 3.68Å; W525-F541 HydrophobicContact CE3-CD2 4.44Å; W525-F541 HydrophobicContact CE3-CE2 4.05Å; W525-F541 HydrophobicContact CG-CD2 4.06Å; W525-F541 AromaticContact CH2-CE2 3.9Å; W525-F541 HydrophobicContact CH2-CE2 3.9Å; W525-F541 AromaticContact CZ2-CD2 3.89Å; W525-F541 HydrophobicContact CZ2-CD2 3.89Å; W525-F541 AromaticContact CZ2-CE2 3.69Å; W525-F541 HydrophobicContact CZ2-CE2 3.69Å; W525-F541 HydrophobicContact CZ3-CE2 4.07Å; W525-F541 AromaticContact NE1-CD2 3.58Å; W525-S544 PolarHBondContact NE1-OG 2.98Å; W525-L545 HydrophobicContact CH2-CD2 3.62Å; W525-L545 HydrophobicContact CH2-CG 4.4Å; W525-L545 HydrophobicContact CZ2-CD2 3.79Å; W525-L545 HydrophobicContact CZ2-CG 4.15Å; W525-M548 HydrophobicContact CH2-CE 3.85Å; W525-M548 HydrophobicContact CZ2-CE 3.75Å; W525-L599 HydrophobicContact CH2-CD2 3.98Å; W525-L599 HydrophobicContact CZ3-CD2 3.97Å
526	E	89	Confident	79.5	Confident	43 Å²	43	53.9 Å²	53.9	20%	0.201	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.2	166.8	-69.4	178.6	-167.9	0	0	109.4	M468 P469 R470 L471	M468-E526 HydrophobicContact CB-CG 4.29Å; M468-E526 HydrophobicContact CG-CG 4Å; P469-E526 PolarHBondContact O-N 3.42Å; R470-E526 WeakPolarHBondContact CA-O 3.44Å; R470-E526 HydrophobicContact CB-CB 4.18Å; R470-E526 HydrophobicContact CG-CB 4.15Å; R470-E526 IonicContact CZ-OE2 3.78Å; R470-E526 IonicContact NE-OE2 2.73Å; R470-E526 PolarHBondContact NE-OE2 3.42Å; R470-E526 IonicContact NH2-OE2 3.46Å; R470-E526 PolarHBondContact NH2-OE2 3.47Å; L471-E526 PolarHBondContact N-O 3.15Å
527	C	88.5	Confident	78.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.6	-176.9	-175	0	0	0	0	110.4	I473 F529 I534 G540	I473-C527 VanDerWaalsContact CD1-SG 3.54Å; C527-F529 VanDerWaalsContact SG-CE1 3.55Å; C527-F529 WeakPolarHBondContact SG-CZ 3.32Å; C527-I534 WeakPolarHBondContact O-CD1 3.5Å; C527-G540 WeakPolarHBondContact CB-O 3.22Å; C527-G540 PolarHBondContact SG-O 2.8Å; C527-G540 VanDerWaalsContact SG-O 3.38Å
528	K	87	Confident	77.4	Confident	72 Å²	72	53.9 Å²	53.9	31%	0.313	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.4	170.5	-66.3	-161.9	173.4	-161	0	110	L471 Y472 I473	L471-K528 PolarHBondContact O-N 2.94Å; Y472-K528 CarbonylContact C-O 3.56Å; Y472-K528 VanDerWaalsContact CA-O 3.26Å; Y472-K528 WeakPolarHBondContact CA-O 3.31Å; Y472-K528 HydrophobicContact CD1-CB 3.87Å; Y472-K528 HydrophobicContact CD1-CD 4.46Å; Y472-K528 HydrophobicContact CE1-CB 4.07Å; Y472-K528 HydrophobicContact CE1-CD 3.79Å; Y472-K528 HydrophobicContact CE1-CG 4.43Å; I473-K528 PolarHBondContact N-O 2.89Å
529	F	87.1	Confident	77.1	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.5	174.9	-66.1	-55.2	0	0	0	109.8	I473 R475 C527 A531 E532 I534 D543	I473-F529 HydrophobicContact CB-CD1 3.74Å; I473-F529 HydrophobicContact CB-CE1 3.84Å; I473-F529 HydrophobicContact CD1-CE1 4.09Å; I473-F529 HydrophobicContact CG2-CD1 4Å; I473-F529 HydrophobicContact CG2-CE1 3.9Å; I473-F529 CarbonylContact O-C 3.47Å; I473-F529 VanDerWaalsContact O-CA 3.3Å; I473-F529 WeakPolarHBondContact O-CA 3.26Å; R475-F529 VanDerWaalsContact CD-CD1 3.49Å; R475-F529 HydrophobicContact CG-CD1 3.61Å; R475-F529 HydrophobicContact CG-CE1 3.85Å; R475-F529 HydrophobicContact CG-CG 4.32Å; R475-F529 VanDerWaalsContact NE-CZ 3.3Å; R475-F529 VanDerWaalsContact NH1-CD2 3.27Å; R475-F529 VanDerWaalsContact NH2-CE2 3.29Å; C527-F529 VanDerWaalsContact SG-CE1 3.55Å; C527-F529 WeakPolarHBondContact SG-CZ 3.32Å; F529-A531 PolarHBondContact O-N 3.29Å; F529-E532 HydrophobicContact CB-CB 3.72Å; F529-E532 HydrophobicContact CB-CG 4.13Å; F529-E532 PolarHBondContact O-N 2.84Å; F529-I534 HydrophobicContact CB-CD1 4.14Å; F529-I534 HydrophobicContact CD2-CD1 3.36Å; F529-I534 HydrophobicContact CD2-CG1 4.01Å; F529-I534 HydrophobicContact CE2-CD1 3.93Å; F529-I534 HydrophobicContact CG-CD1 4Å; F529-D543 HydrophobicContact CE2-CB 4.29Å; F529-D543 HydrophobicContact CZ-CB 4.36Å
530	I	86.1	Confident	77.3	Confident	84 Å²	84	51.3 Å²	51.3	43%	0.431	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	124.2	-177.6	-59.4	-176.8	0	0	0	108.7	I473 N474 E532	I473-I530 PolarHBondContact O-N 3.39Å; N474-I530 HydrophobicContact CB-CD1 4.09Å; I530-E532 VanDerWaalsContact C-N 3.28Å; I530-E532 PolarHBondContact O-N 3.24Å
531	A	79.5	Confident	77.9	Confident	105 Å²	105	43.3 Å²	43.3	87%	0.868	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	16.8	-177.7	0	0	0	0	0	115.6	F529	F529-A531 PolarHBondContact O-N 3.29Å
532	E	77.3	Confident	78.2	Confident	54 Å²	54	41.6 Å²	41.6	25%	0.252	23%	0.232	S	C	.	.	S	Bend	trans	-116.7	141.2	170.2	-70	170.7	-135	0	0	109.7	R475 F529 I530 I534	R475-E532 WeakPolarHBondContact CB-OE1 3.38Å; R475-E532 VanDerWaalsContact CD-OE1 3.23Å; R475-E532 WeakPolarHBondContact CD-OE1 3.49Å; R475-E532 IonicContact NH1-OE2 3.76Å; R475-E532 PolarHBondContact NH1-OE2 3.45Å; R475-E532 VanDerWaalsContact NH1-OE2 3.14Å; F529-E532 HydrophobicContact CB-CB 3.72Å; F529-E532 HydrophobicContact CB-CG 4.13Å; F529-E532 PolarHBondContact O-N 2.84Å; I530-E532 VanDerWaalsContact C-N 3.28Å; I530-E532 PolarHBondContact O-N 3.24Å; E532-I534 PolarHBondContact O-N 2.88Å
533	G	62.1	Low	78.7	Confident	28 Å²	28	39 Å²	39	29%	0.289	22%	0.218	S	C	.	.			trans	-86	94.2	178.4	0	0	0	0	0	111.5
534	I	63	Low	78.9	Confident	34 Å²	34	37.3 Å²	37.3	17%	0.174	21%	0.21	C	C	.	.			trans	-86.8	116.1	172.7	-56.5	-178.3	0	0	0	109.4	C527 F529 E532 D536	C527-I534 WeakPolarHBondContact O-CD1 3.5Å; F529-I534 HydrophobicContact CB-CD1 4.14Å; F529-I534 HydrophobicContact CD2-CD1 3.36Å; F529-I534 HydrophobicContact CD2-CG1 4.01Å; F529-I534 HydrophobicContact CE2-CD1 3.93Å; F529-I534 HydrophobicContact CG-CD1 4Å; E532-I534 PolarHBondContact O-N 2.88Å; I534-D536 WeakPolarHBondContact CG2-O 3.37Å
535	I	55.4	Low	79	Confident	144 Å²	144	37.1 Å²	37.1	74%	0.738	21%	0.209	S	C	*	.	S	Bend	trans	-77.3	-33.5	178.2	-54.9	173.2	0	0	0	111.3
536	D	60.1	Low	78.9	Confident	82 Å²	82	37.8 Å²	37.8	44%	0.439	22%	0.215	S	C	.	.			trans	-136.7	140.7	-175.3	178.3	29.7	0	0	0	113.7	I534 G538 C818	I534-D536 WeakPolarHBondContact CG2-O 3.37Å; D536-G538 PolarHBondContact O-N 2.95Å; D536-C818 HydrophobicContact CB-CB 4.49Å
537	Q	64.8	Low	79	Confident	55 Å²	55	37.1 Å²	37.1	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-70.4	-28.5	-171.1	-56.8	-55.8	-45.7	0	0	113.8	Q523	Q523-Q537 PolarHBondContact NE2-O 2.86Å
538	G	70.2	Confident	79.3	Confident	11 Å²	11	37.1 Å²	37.1	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-73.4	-36.5	-178.1	0	0	0	0	0	113.9	D536 F541 R542	D536-G538 PolarHBondContact O-N 2.95Å; G538-F541 PolarHBondContact O-N 3.29Å; G538-R542 PolarHBondContact O-N 3.25Å
539	G	74.7	Confident	79.6	Confident	5 Å²	5	34 Å²	34	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-46.7	177.6	0	0	0	0	0	112.3	F541 R542 D543	G539-F541 VanDerWaalsContact C-N 3.28Å; G539-F541 PolarHBondContact O-N 2.97Å; G539-R542 PolarHBondContact O-N 3.19Å; G539-R542 VanDerWaalsContact O-N 3.16Å; G539-D543 VanDerWaalsContact O-CG 3.29Å; G539-D543 PolarHBondContact O-N 3.39Å
540	G	82.4	Confident	79.8	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-34.7	179.5	0	0	0	0	0	113.8	C527 S544	C527-G540 WeakPolarHBondContact CB-O 3.22Å; C527-G540 PolarHBondContact SG-O 2.8Å; C527-G540 VanDerWaalsContact SG-O 3.38Å; G540-S544 WeakPolarHBondContact O-CB 3.36Å; G540-S544 PolarHBondContact O-N 3.29Å; G540-S544 PolarHBondContact O-OG 3.42Å
541	F	87.4	Confident	80.2	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-52.7	173	165.1	-105.9	0	0	0	111.5	D522 Q523 W524 W525 G538 G539 D543 S544 L545 D608	D522-F541 WeakPolarHBondContact O-CE1 3.13Å; Q523-F541 HydrophobicContact CB-CD1 4.44Å; Q523-F541 HydrophobicContact CG-CB 4.05Å; Q523-F541 HydrophobicContact CG-CD1 4.27Å; Q523-F541 HydrophobicContact CG-CD2 4.36Å; Q523-F541 HydrophobicContact CG-CG 3.97Å; W524-F541 HydrophobicContact CB-CE2 3.91Å; W524-F541 HydrophobicContact CB-CZ 4.33Å; W524-F541 AromaticContact CD2-CE2 3.97Å; W524-F541 HydrophobicContact CD2-CE2 3.97Å; W524-F541 AromaticContact CD2-CZ 3.65Å; W524-F541 HydrophobicContact CD2-CZ 3.65Å; W524-F541 AromaticContact CE3-CE2 3.59Å; W524-F541 HydrophobicContact CE3-CE2 3.59Å; W524-F541 AromaticContact CE3-CZ 3.4Å; W524-F541 HydrophobicContact CE3-CZ 3.4Å; W524-F541 HydrophobicContact CG-CE2 4.17Å; W524-F541 HydrophobicContact CG-CZ 4.11Å; W524-F541 HydrophobicContact CH2-CZ 4.38Å; W524-F541 HydrophobicContact CZ3-CE2 4.31Å; W524-F541 AromaticContact CZ3-CZ 3.81Å; W524-F541 HydrophobicContact CZ3-CZ 3.81Å; W525-F541 AromaticContact CD1-CD2 3.91Å; W525-F541 AromaticContact CD2-CD2 3.81Å; W525-F541 HydrophobicContact CD2-CD2 3.81Å; W525-F541 AromaticContact CD2-CE2 3.87Å; W525-F541 HydrophobicContact CD2-CE2 3.87Å; W525-F541 AromaticContact CE2-CD2 3.5Å; W525-F541 VanDerWaalsContact CE2-CD2 3.5Å; W525-F541 AromaticContact CE2-CE2 3.68Å; W525-F541 HydrophobicContact CE3-CD2 4.44Å; W525-F541 HydrophobicContact CE3-CE2 4.05Å; W525-F541 HydrophobicContact CG-CD2 4.06Å; W525-F541 AromaticContact CH2-CE2 3.9Å; W525-F541 HydrophobicContact CH2-CE2 3.9Å; W525-F541 AromaticContact CZ2-CD2 3.89Å; W525-F541 HydrophobicContact CZ2-CD2 3.89Å; W525-F541 AromaticContact CZ2-CE2 3.69Å; W525-F541 HydrophobicContact CZ2-CE2 3.69Å; W525-F541 HydrophobicContact CZ3-CE2 4.07Å; W525-F541 AromaticContact NE1-CD2 3.58Å; G538-F541 PolarHBondContact O-N 3.29Å; G539-F541 VanDerWaalsContact C-N 3.28Å; G539-F541 PolarHBondContact O-N 2.97Å; F541-D543 VanDerWaalsContact C-N 3.32Å; F541-D543 PolarHBondContact O-N 3.37Å; F541-S544 PolarHBondContact O-N 3.11Å; F541-S544 VanDerWaalsContact O-N 3.14Å; F541-S544 PolarHBondContact O-OG 2.94Å; F541-L545 HydrophobicContact CD1-CD1 4.45Å; F541-L545 HydrophobicContact CE1-CD1 3.71Å; F541-L545 HydrophobicContact CE2-CD1 3.98Å; F541-L545 HydrophobicContact CE2-CG 4.19Å; F541-L545 HydrophobicContact CZ-CD1 3.44Å; F541-L545 VanDerWaalsContact CZ-CD1 3.44Å; F541-L545 HydrophobicContact CZ-CG 4.16Å; F541-L545 PolarHBondContact O-N 2.9Å; F541-L545 VanDerWaalsContact O-N 3.09Å; F541-D608 HydrophobicContact CE1-CB 4.17Å
542	R	85.9	Confident	80.9	Confident	33 Å²	33	26.4 Å²	26.4	13%	0.125	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-42.2	179.9	-70.3	-168.2	-71.3	-90.2	9.6	112.1	G538 G539 S544 L545 A546 D608 T817 C818	G538-R542 PolarHBondContact O-N 3.25Å; G539-R542 PolarHBondContact O-N 3.19Å; G539-R542 VanDerWaalsContact O-N 3.16Å; R542-S544 VanDerWaalsContact C-N 3.32Å; R542-S544 PolarHBondContact O-N 2.82Å; R542-L545 WeakPolarHBondContact O-CB 3.45Å; R542-L545 PolarHBondContact O-N 2.73Å; R542-A546 PolarHBondContact O-N 3.45Å; R542-D608 WeakPolarHBondContact CD-OD1 3.49Å; R542-D608 WeakPolarHBondContact CG-OD1 3.46Å; R542-T817 PolarHBondContact NH2-O 3.44Å; R542-C818 PolarHBondContact NH2-O 3.39Å
543	D	85.3	Confident	81.6	Confident	17 Å²	17	24.2 Å²	24.2	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-69.1	-33.5	179.1	-54.3	-30.1	0	0	0	111.7	R475 F529 G539 F541 L545 A546 D547	R475-D543 IonicContact NH2-OD2 2.95Å; F529-D543 HydrophobicContact CE2-CB 4.29Å; F529-D543 HydrophobicContact CZ-CB 4.36Å; G539-D543 VanDerWaalsContact O-CG 3.29Å; G539-D543 PolarHBondContact O-N 3.39Å; F541-D543 VanDerWaalsContact C-N 3.32Å; F541-D543 PolarHBondContact O-N 3.37Å; D543-L545 VanDerWaalsContact C-N 3.34Å; D543-L545 PolarHBondContact O-N 2.72Å; D543-A546 PolarHBondContact O-N 3.15Å; D543-D547 PolarHBondContact O-N 2.99Å
544	S	90.9	Very high	82.9	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-36.8	173.2	73.7	0	0	0	0	112.7	W525 G540 F541 R542 M548	W525-S544 PolarHBondContact NE1-OG 2.98Å; G540-S544 WeakPolarHBondContact O-CB 3.36Å; G540-S544 PolarHBondContact O-N 3.29Å; G540-S544 PolarHBondContact O-OG 3.42Å; F541-S544 PolarHBondContact O-N 3.11Å; F541-S544 VanDerWaalsContact O-N 3.14Å; F541-S544 PolarHBondContact O-OG 2.94Å; R542-S544 VanDerWaalsContact C-N 3.32Å; R542-S544 PolarHBondContact O-N 2.82Å; S544-M548 WeakPolarHBondContact O-CG 3.49Å; S544-M548 PolarHBondContact O-N 3.13Å
545	L	91.7	Very high	83.8	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-40.8	171.7	-72.7	176.2	0	0	0	111.7	W524 W525 F541 R542 D543 M548 S549 D608	W524-L545 HydrophobicContact CE3-CD2 4.36Å; W524-L545 HydrophobicContact CH2-CD1 4.45Å; W524-L545 HydrophobicContact CZ3-CD1 3.88Å; W524-L545 HydrophobicContact CZ3-CD2 3.85Å; W524-L545 HydrophobicContact CZ3-CG 4.5Å; W525-L545 HydrophobicContact CH2-CD2 3.62Å; W525-L545 HydrophobicContact CH2-CG 4.4Å; W525-L545 HydrophobicContact CZ2-CD2 3.79Å; W525-L545 HydrophobicContact CZ2-CG 4.15Å; F541-L545 HydrophobicContact CD1-CD1 4.45Å; F541-L545 HydrophobicContact CE1-CD1 3.71Å; F541-L545 HydrophobicContact CE2-CD1 3.98Å; F541-L545 HydrophobicContact CE2-CG 4.19Å; F541-L545 HydrophobicContact CZ-CD1 3.44Å; F541-L545 VanDerWaalsContact CZ-CD1 3.44Å; F541-L545 HydrophobicContact CZ-CG 4.16Å; F541-L545 PolarHBondContact O-N 2.9Å; F541-L545 VanDerWaalsContact O-N 3.09Å; R542-L545 WeakPolarHBondContact O-CB 3.45Å; R542-L545 PolarHBondContact O-N 2.73Å; D543-L545 VanDerWaalsContact C-N 3.34Å; D543-L545 PolarHBondContact O-N 2.72Å; L545-M548 HydrophobicContact CD2-CE 3.72Å; L545-M548 PolarHBondContact O-N 2.74Å; L545-S549 WeakPolarHBondContact O-CB 3.47Å; L545-S549 PolarHBondContact O-N 3.07Å; L545-S549 PolarHBondContact O-OG 3.46Å; L545-D608 HydrophobicContact CD1-CB 3.96Å
546	A	88.4	Confident	84.9	Confident	14 Å²	14	20.6 Å²	20.6	12%	0.116	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-39.6	178.4	0	0	0	0	0	111.9	R542 D543 S549 E550	R542-A546 PolarHBondContact O-N 3.45Å; D543-A546 PolarHBondContact O-N 3.15Å; A546-S549 PolarHBondContact O-N 2.84Å; A546-E550 WeakPolarHBondContact O-CB 3.38Å; A546-E550 PolarHBondContact O-N 2.8Å
547	D	91.5	Very high	85.5	Confident	30 Å²	30	18.6 Å²	18.6	16%	0.16	12%	0.117	C	C	.	.	H	α-helix	trans	-66.6	-45.2	175.5	-66.6	-20.5	0	0	0	111.2	R475 V495 D543 S549 E550 E551 R785	R475-D547 IonicContact CZ-OD2 2.76Å; R475-D547 IonicContact NE-OD2 2.85Å; R475-D547 PolarHBondContact NE-OD2 2.97Å; R475-D547 IonicContact NH2-OD1 3.8Å; R475-D547 IonicContact NH2-OD2 3.27Å; R475-D547 PolarHBondContact NH2-OD2 3.28Å; V495-D547 HydrophobicContact CB-CB 4.17Å; V495-D547 HydrophobicContact CG1-CB 4.07Å; V495-D547 HydrophobicContact CG2-CB 3.96Å; D543-D547 PolarHBondContact O-N 2.99Å; D547-S549 VanDerWaalsContact C-N 3.31Å; D547-S549 PolarHBondContact O-N 2.82Å; D547-E550 PolarHBondContact O-N 2.79Å; D547-E551 WeakPolarHBondContact O-CG 3.38Å; D547-E551 PolarHBondContact O-N 2.78Å; D547-R785 IonicContact OD1-NH2 3.48Å
548	M	95.3	Very high	86.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-40.6	174	-72.6	-166.7	-64.1	0	0	112.2	V495 F496 V499 W525 S544 L545 E550 E551 L552 W595 L599	V495-M548 HydrophobicContact CB-CG 4.5Å; V495-M548 HydrophobicContact CG1-CG 3.96Å; F496-M548 HydrophobicContact CB-CG 4.08Å; F496-M548 HydrophobicContact CB-SD 4.39Å; F496-M548 HydrophobicContact CD2-CB 4.46Å; F496-M548 HydrophobicContact CD2-CG 4.35Å; F496-M548 HydrophobicContact CD2-SD 4.02Å; V499-M548 HydrophobicContact CB-SD 3.95Å; V499-M548 HydrophobicContact CG1-CE 4.31Å; V499-M548 HydrophobicContact CG1-SD 4.06Å; V499-M548 HydrophobicContact CG2-SD 4.12Å; W525-M548 HydrophobicContact CH2-CE 3.85Å; W525-M548 HydrophobicContact CZ2-CE 3.75Å; S544-M548 WeakPolarHBondContact O-CG 3.49Å; S544-M548 PolarHBondContact O-N 3.13Å; L545-M548 HydrophobicContact CD2-CE 3.72Å; L545-M548 PolarHBondContact O-N 2.74Å; M548-E550 VanDerWaalsContact C-N 3.31Å; M548-E550 PolarHBondContact O-N 3.02Å; M548-E551 PolarHBondContact O-N 2.83Å; M548-L552 WeakPolarHBondContact O-CB 3.27Å; M548-L552 WeakPolarHBondContact O-CG 3.44Å; M548-L552 PolarHBondContact O-N 3.36Å; M548-W595 HydrophobicContact SD-CH2 3.88Å; M548-W595 HydrophobicContact SD-CZ3 4.35Å; M548-L599 HydrophobicContact CE-CD1 4.24Å
549	S	93.4	Very high	86.6	Confident	7 Å²	7	25.1 Å²	25.1	5%	0.049	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-44.6	176.8	-60.5	0	0	0	0	111	L545 A546 D547 L552 C553 V611	L545-S549 WeakPolarHBondContact O-CB 3.47Å; L545-S549 PolarHBondContact O-N 3.07Å; L545-S549 PolarHBondContact O-OG 3.46Å; A546-S549 PolarHBondContact O-N 2.84Å; D547-S549 VanDerWaalsContact C-N 3.31Å; D547-S549 PolarHBondContact O-N 2.82Å; S549-L552 PolarHBondContact O-N 2.73Å; S549-C553 PolarHBondContact O-N 3.08Å; S549-V611 WeakPolarHBondContact CB-O 3.49Å; S549-V611 PolarHBondContact OG-N 3.11Å
550	E	90	Very high	87.2	Confident	28 Å²	28	27.4 Å²	27.4	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-71.3	-29.4	179.1	-171.7	63.7	-156.1	0	0	113	R482 A546 D547 M548 P554 S555	R482-E550 VanDerWaalsContact CZ-CG 3.45Å; R482-E550 IonicContact CZ-OE1 3.96Å; R482-E550 IonicContact NH1-OE1 3.99Å; R482-E550 IonicContact NH2-OE1 2.72Å; R482-E550 PolarHBondContact NH2-OE1 2.87Å; A546-E550 WeakPolarHBondContact O-CB 3.38Å; A546-E550 PolarHBondContact O-N 2.8Å; D547-E550 PolarHBondContact O-N 2.79Å; M548-E550 VanDerWaalsContact C-N 3.31Å; M548-E550 PolarHBondContact O-N 3.02Å; E550-P554 WeakPolarHBondContact O-CA 3.25Å; E550-P554 WeakPolarHBondContact O-CG 3.22Å; E550-S555 PolarHBondContact OE1-N 2.85Å; E550-S555 WeakPolarHBondContact OE2-CB 3.48Å; E550-S555 PolarHBondContact OE2-N 3.18Å; E550-S555 PolarHBondContact OE2-OG 3.44Å
551	E	94.5	Very high	87.7	Confident	8 Å²	8	29.6 Å²	29.6	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-74.8	-33	172.4	-72.6	179.7	162.5	0	0	112.9	A494 V495 F496 D547 M548 P562 L563	A494-E551 WeakPolarHBondContact CA-OE1 3.37Å; V495-E551 VanDerWaalsContact N-CD 3.28Å; V495-E551 PolarHBondContact N-OE1 2.9Å; V495-E551 PolarHBondContact N-OE2 2.81Å; F496-E551 WeakPolarHBondContact CB-OE2 3.39Å; F496-E551 PolarHBondContact N-OE2 3.05Å; D547-E551 WeakPolarHBondContact O-CG 3.38Å; D547-E551 PolarHBondContact O-N 2.78Å; M548-E551 PolarHBondContact O-N 2.83Å; E551-P562 HydrophobicContact CB-CB 4.39Å; E551-P562 HydrophobicContact CG-CB 4.44Å; E551-P562 WeakPolarHBondContact O-CD 3.39Å; E551-L563 HydrophobicContact CB-CD1 3.7Å; E551-L563 HydrophobicContact CB-CG 4.19Å
552	L	95.4	Very high	87.9	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-77.6	-46.3	178.3	-70.6	170	0	0	0	111.9	F496 M548 S549 L563 F565 F566 I596 L610 L612	F496-L552 HydrophobicContact CD2-CD1 4.03Å; F496-L552 HydrophobicContact CD2-CD2 3.98Å; F496-L552 HydrophobicContact CD2-CG 4.14Å; F496-L552 HydrophobicContact CE2-CD1 4.04Å; F496-L552 HydrophobicContact CE2-CD2 3.95Å; F496-L552 HydrophobicContact CE2-CG 4.39Å; M548-L552 WeakPolarHBondContact O-CB 3.27Å; M548-L552 WeakPolarHBondContact O-CG 3.44Å; M548-L552 PolarHBondContact O-N 3.36Å; S549-L552 PolarHBondContact O-N 2.73Å; L552-L563 HydrophobicContact CD2-CD1 3.64Å; L552-L563 HydrophobicContact CG-CD1 4.05Å; L552-F565 HydrophobicContact CD2-CD2 3.75Å; L552-F566 HydrophobicContact CB-CD2 4.1Å; L552-F566 HydrophobicContact CB-CE2 4.21Å; L552-F566 HydrophobicContact CD2-CD2 4.07Å; L552-F566 HydrophobicContact CD2-CE2 3.96Å; L552-I596 HydrophobicContact CD1-CG1 4.48Å; L552-I596 HydrophobicContact CD2-CD1 3.88Å; L552-I596 HydrophobicContact CD2-CG1 4.48Å; L552-L610 HydrophobicContact CD1-CD1 4.42Å; L552-L612 HydrophobicContact CB-CD2 4.12Å; L552-L612 HydrophobicContact CD1-CD2 3.94Å
553	C	92.1	Very high	88.4	Confident	8 Å²	8	28.1 Å²	28.1	5%	0.054	17%	0.166	C	C	.	.	S	Bend	trans	-132.1	82.8	-179.6	-64.8	0	0	0	0	109.7	S549 S555 Y581 A613	S549-C553 PolarHBondContact O-N 3.08Å; C553-S555 PolarHBondContact O-N 2.82Å; C553-Y581 HydrophobicContact CB-CD2 3.56Å; C553-Y581 HydrophobicContact CB-CE2 3.84Å; C553-Y581 HydrophobicContact CB-CG 4.04Å; C553-A613 HydrophobicContact CB-CB 4.41Å
554	P	89.1	Confident	88.9	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	18%	0.177	C	C	.	.			trans	-56.8	136.3	-178.8	-25.4	32.6	0	0	0	113.3	E550 S556 C559 M561 P562 Y581	E550-P554 WeakPolarHBondContact O-CA 3.25Å; E550-P554 WeakPolarHBondContact O-CG 3.22Å; P554-S556 VanDerWaalsContact C-N 3.3Å; P554-S556 PolarHBondContact O-N 2.99Å; P554-C559 HydrophobicContact CB-CB 4.42Å; P554-M561 HydrophobicContact CG-CE 4.41Å; P554-M561 HydrophobicContact CG-SD 4.13Å; P554-P562 HydrophobicContact CG-CG 4.28Å; P554-Y581 WeakPolarHBondContact O-CE2 3.49Å; P554-Y581 PolarHBondContact O-OH 3.03Å
555	S	80.7	Confident	89.2	Confident	79 Å²	79	29.9 Å²	29.9	55%	0.552	18%	0.178	S	C	*	.	S	Bend	trans	-72.5	-24.4	-179	-61.7	0	0	0	0	112.8	E550 C553	E550-S555 PolarHBondContact OE1-N 2.85Å; E550-S555 WeakPolarHBondContact OE2-CB 3.48Å; E550-S555 PolarHBondContact OE2-N 3.18Å; E550-S555 PolarHBondContact OE2-OG 3.44Å; C553-S555 PolarHBondContact O-N 2.82Å
556	S	79.8	Confident	89.4	Confident	50 Å²	50	29.9 Å²	29.9	35%	0.35	18%	0.178	S	C	.	.			trans	-101.1	129.2	176.8	175	0	0	0	0	111.7	P554 E558 C559 R568	P554-S556 VanDerWaalsContact C-N 3.3Å; P554-S556 PolarHBondContact O-N 2.99Å; S556-E558 PolarHBondContact O-N 2.94Å; S556-E558 PolarHBondContact OG-N 2.81Å; S556-C559 PolarHBondContact O-N 2.91Å; S556-R568 PolarHBondContact O-NH2 3.5Å
557	A	72.5	Confident	89.6	Confident	40 Å²	40	30.5 Å²	30.5	33%	0.331	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.6	173.8	0	0	0	0	0	113.4
558	E	76.7	Confident	89.6	Confident	182 Å²	182	31.9 Å²	31.9	85%	0.85	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-18.6	179.9	-60.2	-177.2	170.4	0	0	112.7	S556	S556-E558 PolarHBondContact O-N 2.94Å; S556-E558 PolarHBondContact OG-N 2.81Å
559	C	81.1	Confident	89.3	Confident	20 Å²	20	32.5 Å²	32.5	14%	0.135	19%	0.186	C	C	.	.	S	Bend	trans	-74	137	-179.8	-170.5	0	0	0	0	110.4	P554 S556 R568	P554-C559 HydrophobicContact CB-CB 4.42Å; S556-C559 PolarHBondContact O-N 2.91Å; C559-R568 VanDerWaalsContact O-CZ 3.26Å; C559-R568 PolarHBondContact O-NH1 3.38Å; C559-R568 PolarHBondContact O-NH2 2.85Å
560	P	87.6	Confident	88.9	Confident	54 Å²	54	34.3 Å²	34.3	35%	0.351	20%	0.199	S	C	.	.			trans	-62	157	171.4	29.4	-36.5	0	0	0	110.7	R482 P485 P562	R482-P560 VanDerWaalsContact O-CG 3.32Å; R482-P560 WeakPolarHBondContact O-CG 3.21Å; P485-P560 HydrophobicContact CG-CB 4.02Å; P485-P560 HydrophobicContact CG-CG 3.98Å; P560-P562 WeakPolarHBondContact O-CD 3.49Å
561	M	91.8	Very high	88.5	Confident	46 Å²	46	33.6 Å²	33.6	23%	0.227	20%	0.196	C	C	.	.			trans	-72.2	114.4	175.1	-71.8	-53.6	-63.1	0	0	110.2	P485 P554 F566 R568 Y581	P485-M561 WeakPolarHBondContact CG-O 3.28Å; P554-M561 HydrophobicContact CG-CE 4.41Å; P554-M561 HydrophobicContact CG-SD 4.13Å; M561-F566 HydrophobicContact CE-CB 4.49Å; M561-F566 WeakPolarHBondContact CE-O 3.14Å; M561-R568 HydrophobicContact SD-CG 4.3Å; M561-Y581 HydrophobicContact CE-CD1 3.92Å; M561-Y581 HydrophobicContact CE-CE1 3.73Å; M561-Y581 HydrophobicContact SD-CD1 4.29Å; M561-Y581 HydrophobicContact SD-CE1 3.58Å; M561-Y581 VanDerWaalsContact SD-CE1 3.58Å
562	P	92.8	Very high	87	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.234	C	C	.	.	S	Bend	trans	-73.6	-29.4	-177.7	-19	35.7	0	0	0	112.6	H481 R482 E551 P554 P560	H481-P562 PolarHBondContact NE2-O 3.34Å; R482-P562 HydrophobicContact CG-CG 3.96Å; E551-P562 HydrophobicContact CB-CB 4.39Å; E551-P562 HydrophobicContact CG-CB 4.44Å; E551-P562 WeakPolarHBondContact O-CD 3.39Å; P554-P562 HydrophobicContact CG-CG 4.28Å; P560-P562 WeakPolarHBondContact O-CD 3.49Å
563	L	96	Very high	85	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	25%	0.25	C	C	.	.	S	Bend	trans	-124.7	145.8	-176.9	-64.6	173.6	0	0	0	111	C491 A494 F496 E551 L552 F565	C491-L563 HydrophobicContact CB-CD2 3.96Å; A494-L563 HydrophobicContact CB-CD2 3.72Å; F496-L563 HydrophobicContact CB-CD1 3.58Å; F496-L563 HydrophobicContact CB-CD2 4.48Å; F496-L563 HydrophobicContact CD1-CD1 4.19Å; F496-L563 HydrophobicContact CD2-CD1 4.37Å; F496-L563 HydrophobicContact CG-CD1 3.8Å; E551-L563 HydrophobicContact CB-CD1 3.7Å; E551-L563 HydrophobicContact CB-CG 4.19Å; L552-L563 HydrophobicContact CD2-CD1 3.64Å; L552-L563 HydrophobicContact CG-CD1 4.05Å; L563-F565 VanDerWaalsContact C-N 3.29Å; L563-F565 HydrophobicContact CB-CD2 3.76Å; L563-F565 HydrophobicContact CB-CE2 3.96Å; L563-F565 HydrophobicContact CD1-CD2 4.12Å; L563-F565 HydrophobicContact CD1-CE2 4.08Å; L563-F565 HydrophobicContact CD2-CE2 3.97Å; L563-F565 HydrophobicContact CG-CD2 4.38Å; L563-F565 HydrophobicContact CG-CE2 4.23Å; L563-F565 PolarHBondContact O-N 3.47Å
564	P	95.3	Very high	82.8	Confident	52 Å²	52	50.6 Å²	50.6	34%	0.338	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	4.4	-176.3	35.3	-37.2	0	0	0	113.9	N584 C587	P564-N584 WeakPolarHBondContact O-CB 3.49Å; P564-N584 PolarHBondContact O-ND2 3Å; P564-C587 VanDerWaalsContact O-CB 3.29Å; P564-C587 WeakPolarHBondContact O-CB 3.34Å
565	F	97.2	Very high	80.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.009	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-27.9	-173.1	-48.9	-54.8	0	0	0	113.4	F496 L552 L563 P583 N584 D589 K592 Y593 I596	F496-F565 AromaticContact CD1-CE2 3.68Å; F496-F565 HydrophobicContact CD1-CE2 3.68Å; F496-F565 HydrophobicContact CD1-CZ 4.4Å; F496-F565 HydrophobicContact CE1-CD2 4.16Å; F496-F565 AromaticContact CE1-CE2 3.4Å; F496-F565 HydrophobicContact CE1-CE2 3.4Å; F496-F565 VanDerWaalsContact CE1-CE2 3.4Å; F496-F565 AromaticContact CE1-CZ 3.94Å; F496-F565 HydrophobicContact CE1-CZ 3.94Å; F496-F565 HydrophobicContact CZ-CD2 4.4Å; F496-F565 HydrophobicContact CZ-CE2 4.06Å; L552-F565 HydrophobicContact CD2-CD2 3.75Å; L563-F565 VanDerWaalsContact C-N 3.29Å; L563-F565 HydrophobicContact CB-CD2 3.76Å; L563-F565 HydrophobicContact CB-CE2 3.96Å; L563-F565 HydrophobicContact CD1-CD2 4.12Å; L563-F565 HydrophobicContact CD1-CE2 4.08Å; L563-F565 HydrophobicContact CD2-CE2 3.97Å; L563-F565 HydrophobicContact CG-CD2 4.38Å; L563-F565 HydrophobicContact CG-CE2 4.23Å; L563-F565 PolarHBondContact O-N 3.47Å; F565-P583 WeakPolarHBondContact O-CA 3.37Å; F565-N584 PolarHBondContact O-N 2.95Å; F565-D589 HydrophobicContact CE1-CB 4.01Å; F565-K592 HydrophobicContact CE1-CB 3.92Å; F565-K592 HydrophobicContact CE1-CD 3.61Å; F565-K592 HydrophobicContact CE1-CG 4.41Å; F565-K592 HydrophobicContact CE2-CD 4.36Å; F565-K592 HydrophobicContact CZ-CB 4.08Å; F565-K592 HydrophobicContact CZ-CD 3.32Å; F565-K592 HydrophobicContact CZ-CG 4.33Å; F565-Y593 HydrophobicContact CB-CE1 3.92Å; F565-Y593 HydrophobicContact CD1-CE2 4.48Å; F565-Y593 VanDerWaalsContact O-CE1 3.25Å; F565-Y593 WeakPolarHBondContact O-CE1 3.28Å; F565-Y593 VanDerWaalsContact O-CZ 3.28Å; F565-Y593 PolarHBondContact O-OH 3.42Å; F565-I596 HydrophobicContact CB-CD1 4.25Å; F565-I596 HydrophobicContact CD2-CD1 4.32Å; F565-I596 HydrophobicContact CG-CD1 4.3Å
566	F	95.9	Very high	79.3	Confident	3 Å²	3	63.7 Å²	63.7	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.7	177.6	-65.5	-76.6	0	0	0	109.6	L552 M561 Y581 V582 P583 I596 L614 M713	L552-F566 HydrophobicContact CB-CD2 4.1Å; L552-F566 HydrophobicContact CB-CE2 4.21Å; L552-F566 HydrophobicContact CD2-CD2 4.07Å; L552-F566 HydrophobicContact CD2-CE2 3.96Å; M561-F566 HydrophobicContact CE-CB 4.49Å; M561-F566 WeakPolarHBondContact CE-O 3.14Å; F566-Y581 HydrophobicContact CB-CD1 4.36Å; F566-V582 CarbonylContact C-O 3.56Å; F566-V582 WeakPolarHBondContact CA-O 3.49Å; F566-P583 HydrophobicContact CD1-CB 4.4Å; F566-P583 HydrophobicContact CD1-CG 4.31Å; F566-P583 HydrophobicContact CE1-CB 4.33Å; F566-P583 HydrophobicContact CE1-CG 3.97Å; F566-I596 HydrophobicContact CE2-CD1 4.06Å; F566-I596 HydrophobicContact CZ-CD1 4.49Å; F566-L614 HydrophobicContact CD1-CD2 3.9Å; F566-L614 HydrophobicContact CE1-CD2 3.63Å; F566-L614 HydrophobicContact CZ-CD2 4.29Å; F566-M713 HydrophobicContact CE1-CE 4.35Å; F566-M713 HydrophobicContact CE1-SD 4.28Å; F566-M713 HydrophobicContact CZ-CE 4Å; F566-M713 HydrophobicContact CZ-SD 4.19Å
567	T	93.6	Very high	78	Confident	26 Å²	26	62.2 Å²	62.2	16%	0.16	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.4	171	-174.8	0	0	0	0	108.7	Y581 V582 T670	T567-Y581 CarbonylContact O-C 3.54Å; T567-Y581 WeakPolarHBondContact O-CA 3.36Å; T567-V582 HydrophobicContact CG2-CG2 3.84Å; T567-V582 PolarHBondContact N-O 2.86Å; T567-V582 PolarHBondContact O-N 2.84Å; T567-T670 HydrophobicContact CG2-CG2 3.8Å
568	R	90.6	Very high	77.4	Confident	60 Å²	60	65.2 Å²	65.2	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	148.3	176.2	-68.6	-178	177.8	105.5	-0.4	110.1	S556 C559 M561 Y581 T670	S556-R568 PolarHBondContact O-NH2 3.5Å; C559-R568 VanDerWaalsContact O-CZ 3.26Å; C559-R568 PolarHBondContact O-NH1 3.38Å; C559-R568 PolarHBondContact O-NH2 2.85Å; M561-R568 HydrophobicContact SD-CG 4.3Å; R568-Y581 HydrophobicContact CB-CE1 4.48Å; R568-Y581 HydrophobicContact CG-CD1 4.01Å; R568-Y581 HydrophobicContact CG-CE1 3.37Å; R568-Y581 PolarHBondContact NE-OH 2.87Å; R568-Y581 VanDerWaalsContact NE-OH 3.12Å; R568-Y581 PolarHBondContact NH2-OH 3.07Å; R568-T670 VanDerWaalsContact O-CG2 3.26Å; R568-T670 WeakPolarHBondContact O-CG2 3.5Å
569	T	89.4	Confident	77.1	Confident	12 Å²	12	60.4 Å²	60.4	7%	0.074	31%	0.313	C	S	.	.			trans	-65.6	162.3	170.9	57.4	0	0	0	0	111	N571 Y580 V582 V636	T569-N571 PolarHBondContact O-N 3.16Å; T569-Y580 WeakPolarHBondContact CG2-O 3.5Å; T569-Y580 PolarHBondContact N-O 2.97Å; T569-Y580 VanDerWaalsContact N-O 3.12Å; T569-Y580 PolarHBondContact OG1-O 3.33Å; T569-V582 HydrophobicContact CG2-CG1 4.02Å; T569-V636 WeakPolarHBondContact CB-O 3.43Å; T569-V636 HydrophobicContact CG2-CB 4.4Å; T569-V636 HydrophobicContact CG2-CG1 4.28Å; T569-V636 HydrophobicContact CG2-CG2 4.45Å
570	S	85	Confident	77.3	Confident	46 Å²	46	62.9 Å²	62.9	32%	0.322	32%	0.32	S	S	.	.	S	Bend	trans	-72.2	-12.4	178.8	-55.7	0	0	0	0	113.1	Q572 V636 D637	S570-Q572 PolarHBondContact O-N 3.24Å; S570-V636 PolarHBondContact N-O 3.44Å; S570-D637 VanDerWaalsContact CB-CG 3.45Å; S570-D637 VanDerWaalsContact CB-OD2 3.28Å; S570-D637 WeakPolarHBondContact CB-OD2 3.28Å; S570-D637 PolarHBondContact OG-OD2 2.62Å
571	N	80.7	Confident	77.6	Confident	13 Å²	13	60.4 Å²	60.4	7%	0.07	30%	0.304	C	S	.	.			trans	-66.5	126.3	-176.6	-77.3	-29.2	0	0	0	111.2	T569 P634 A635 S638	T569-N571 PolarHBondContact O-N 3.16Å; N571-P634 PolarHBondContact ND2-O 3.46Å; N571-A635 PolarHBondContact ND2-O 3.14Å; N571-S638 WeakPolarHBondContact OD1-CB 3.23Å; N571-S638 PolarHBondContact OD1-N 3.43Å; N571-S638 PolarHBondContact OD1-OG 3.08Å
572	Q	64.2	Low	77.7	Confident	176 Å²	176	58.4 Å²	58.4	82%	0.822	29%	0.294	S	S	*	.			trans	-119.7	147.5	176	-60.6	-175.6	-1.5	0	0	110.2	S570	S570-Q572 PolarHBondContact O-N 3.24Å
573	G	52.8	Low	78	Confident	33 Å²	33	58.4 Å²	58.4	34%	0.34	29%	0.294	S	S	.	.	S	Bend	trans	104.8	-174.6	174.3	0	0	0	0	0	115.7	F575 R578	G573-F575 PolarHBondContact O-N 3Å; G573-R578 VanDerWaalsContact O-CD 3.27Å; G573-R578 WeakPolarHBondContact O-CD 3.48Å
574	D	46.9	Very low	78	Confident	165 Å²	165	59.6 Å²	59.6	88%	0.882	30%	0.3	S	S	*	.	S	Bend	trans	-73.2	24.8	-174	-70.6	-20.9	0	0	0	115.2
575	F	47.6	Very low	78	Confident	151 Å²	151	57.5 Å²	57.5	66%	0.662	29%	0.287	S	S	*	.	S	Bend	trans	-84.1	146.5	178.4	-68.7	-81.9	0	0	0	111.4	G573 A577 R578	G573-F575 PolarHBondContact O-N 3Å; F575-A577 PolarHBondContact O-N 2.81Å; F575-R578 WeakPolarHBondContact O-CB 3.34Å; F575-R578 PolarHBondContact O-N 3.37Å; F575-R578 VanDerWaalsContact O-N 3.13Å
576	E	47.3	Very low	77.9	Confident	203 Å²	203	60.8 Å²	60.8	95%	0.949	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-11.5	179.9	-66.8	-176.3	160.2	0	0	115
577	A	52.8	Low	77.9	Confident	19 Å²	19	61.2 Å²	61.2	16%	0.157	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	14.8	-177.9	0	0	0	0	0	114.7	F575 D579 Y580	F575-A577 PolarHBondContact O-N 2.81Å; A577-D579 VanDerWaalsContact C-N 3.34Å; A577-D579 PolarHBondContact O-N 2.8Å; A577-Y580 HydrophobicContact CB-CD2 3.78Å; A577-Y580 HydrophobicContact CB-CE2 3.85Å
578	R	59.5	Low	78	Confident	103 Å²	103	65.1 Å²	65.1	39%	0.389	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.9	-176.6	-171.9	-168.3	177.9	161	-10.9	113.7	G573 F575	G573-R578 VanDerWaalsContact O-CD 3.27Å; G573-R578 WeakPolarHBondContact O-CD 3.48Å; F575-R578 WeakPolarHBondContact O-CB 3.34Å; F575-R578 PolarHBondContact O-N 3.37Å; F575-R578 VanDerWaalsContact O-N 3.13Å
579	D	70.4	Confident	78.2	Confident	82 Å²	82	64.9 Å²	64.9	44%	0.439	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	24.8	-166.8	-54.7	-43.7	0	0	0	112.9	A577 Y581 A613	A577-D579 VanDerWaalsContact C-N 3.34Å; A577-D579 PolarHBondContact O-N 2.8Å; D579-Y581 WeakPolarHBondContact O-CD2 3.4Å; D579-Y581 WeakPolarHBondContact O-CE2 3.42Å; D579-A613 VanDerWaalsContact O-CB 3.27Å; D579-A613 WeakPolarHBondContact O-CB 3.5Å
580	Y	86.6	Confident	78.7	Confident	71 Å²	71	67.6 Å²	67.6	28%	0.278	34%	0.342	S	S	.	.			trans	-88.1	152.4	176.6	-73.9	-52.9	0	0	0	112.8	T569 A577 A613 L614 P615	T569-Y580 WeakPolarHBondContact CG2-O 3.5Å; T569-Y580 PolarHBondContact N-O 2.97Å; T569-Y580 VanDerWaalsContact N-O 3.12Å; T569-Y580 PolarHBondContact OG1-O 3.33Å; A577-Y580 HydrophobicContact CB-CD2 3.78Å; A577-Y580 HydrophobicContact CB-CE2 3.85Å; Y580-A613 CarbonylContact C-O 3.52Å; Y580-A613 WeakPolarHBondContact CA-O 3.46Å; Y580-A613 HydrophobicContact CD1-CB 4.47Å; Y580-L614 VanDerWaalsContact CD1-C 3.45Å; Y580-L614 WeakPolarHBondContact CE1-O 3.37Å; Y580-P615 HydrophobicContact CD1-CB 4.45Å; Y580-P615 HydrophobicContact CD2-CB 4.25Å; Y580-P615 HydrophobicContact CG-CB 4.1Å
581	Y	92.9	Very high	79.2	Confident	3 Å²	3	69.6 Å²	69.6	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.5	-179.6	-68.1	-90.7	0	0	0	110	C553 P554 M561 F566 T567 R568 D579 A613 L614 P615	C553-Y581 HydrophobicContact CB-CD2 3.56Å; C553-Y581 HydrophobicContact CB-CE2 3.84Å; C553-Y581 HydrophobicContact CB-CG 4.04Å; P554-Y581 WeakPolarHBondContact O-CE2 3.49Å; P554-Y581 PolarHBondContact O-OH 3.03Å; M561-Y581 HydrophobicContact CE-CD1 3.92Å; M561-Y581 HydrophobicContact CE-CE1 3.73Å; M561-Y581 HydrophobicContact SD-CD1 4.29Å; M561-Y581 HydrophobicContact SD-CE1 3.58Å; M561-Y581 VanDerWaalsContact SD-CE1 3.58Å; F566-Y581 HydrophobicContact CB-CD1 4.36Å; T567-Y581 CarbonylContact O-C 3.54Å; T567-Y581 WeakPolarHBondContact O-CA 3.36Å; R568-Y581 HydrophobicContact CB-CE1 4.48Å; R568-Y581 HydrophobicContact CG-CD1 4.01Å; R568-Y581 HydrophobicContact CG-CE1 3.37Å; R568-Y581 PolarHBondContact NE-OH 2.87Å; R568-Y581 VanDerWaalsContact NE-OH 3.12Å; R568-Y581 PolarHBondContact NH2-OH 3.07Å; D579-Y581 WeakPolarHBondContact O-CD2 3.4Å; D579-Y581 WeakPolarHBondContact O-CE2 3.42Å; Y581-A613 HydrophobicContact CD2-CB 4.11Å; Y581-A613 PolarHBondContact N-O 2.96Å; Y581-L614 WeakPolarHBondContact O-CD2 3.26Å; Y581-P615 WeakPolarHBondContact O-CD 3.3Å
582	V	95.1	Very high	79.9	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.024	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.2	172.2	-64	0	0	0	0	109.9	F566 T567 T569 N584 P615 V618 V636 T670	F566-V582 CarbonylContact C-O 3.56Å; F566-V582 WeakPolarHBondContact CA-O 3.49Å; T567-V582 HydrophobicContact CG2-CG2 3.84Å; T567-V582 PolarHBondContact N-O 2.86Å; T567-V582 PolarHBondContact O-N 2.84Å; T569-V582 HydrophobicContact CG2-CG1 4.02Å; V582-N584 PolarHBondContact O-N 3.17Å; V582-P615 HydrophobicContact CG1-CG 3.78Å; V582-V618 HydrophobicContact CG1-CG2 4.15Å; V582-V636 HydrophobicContact CG1-CG1 4.29Å; V582-V636 HydrophobicContact CG1-CG2 3.97Å; V582-T670 HydrophobicContact CG2-CG2 3.54Å
583	P	97.7	Very high	81.5	Confident	1 Å²	1	62 Å²	62	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	136.6	177.6	-20.9	30.1	0	0	0	110.7	F565 F566 P585 Y593 V618 S706 Q709 V710 M713	F565-P583 WeakPolarHBondContact O-CA 3.37Å; F566-P583 HydrophobicContact CD1-CB 4.4Å; F566-P583 HydrophobicContact CD1-CG 4.31Å; F566-P583 HydrophobicContact CE1-CB 4.33Å; F566-P583 HydrophobicContact CE1-CG 3.97Å; P583-P585 WeakPolarHBondContact O-CD 3.34Å; P583-Y593 HydrophobicContact CB-CE1 3.96Å; P583-V618 HydrophobicContact CG-CG1 4.31Å; P583-S706 WeakPolarHBondContact O-CB 3.3Å; P583-S706 PolarHBondContact O-OG 3.19Å; P583-Q709 HydrophobicContact CB-CB 3.67Å; P583-Q709 HydrophobicContact CB-CG 4.39Å; P583-V710 HydrophobicContact CG-CG2 3.86Å; P583-M713 HydrophobicContact CG-SD 4.17Å
584	N	96.3	Very high	83.7	Confident	26 Å²	26	62.9 Å²	62.9	14%	0.139	31%	0.305	C	S	.	.			trans	-71.2	116	-176.1	179	-7.7	0	0	0	110.7	P564 F565 V582 S586 C587 Y593 Q709	P564-N584 WeakPolarHBondContact O-CB 3.49Å; P564-N584 PolarHBondContact O-ND2 3Å; F565-N584 PolarHBondContact O-N 2.95Å; V582-N584 PolarHBondContact O-N 3.17Å; N584-S586 PolarHBondContact O-N 3.33Å; N584-S586 PolarHBondContact OD1-N 2.9Å; N584-C587 HydrophobicContact CB-CB 3.96Å; N584-C587 PolarHBondContact O-N 3.39Å; N584-C587 VanDerWaalsContact O-N 3.11Å; N584-Y593 PolarHBondContact N-OH 2.88Å; N584-Y593 PolarHBondContact O-OH 3.48Å; N584-Q709 PolarHBondContact O-NE2 2.81Å
585	P	95.8	Very high	86.1	Confident	8 Å²	8	55.6 Å²	55.6	5%	0.052	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.2	-176	25.2	-33.4	0	0	0	113.3	P583 K588 L669 D671 E705 Q709	P583-P585 WeakPolarHBondContact O-CD 3.34Å; P585-K588 PolarHBondContact O-NZ 3.35Å; P585-K588 VanDerWaalsContact O-NZ 3.16Å; P585-L669 HydrophobicContact CB-CD1 4.46Å; P585-L669 HydrophobicContact CG-CB 4.34Å; P585-L669 HydrophobicContact CG-CD1 4.38Å; P585-D671 HydrophobicContact CG-CB 4.28Å; P585-E705 HydrophobicContact CB-CB 4.4Å; P585-E705 WeakPolarHBondContact CB-O 3.38Å; P585-Q709 PolarHBondContact O-NE2 3.16Å
586	S	94.9	Very high	88.5	Confident	71 Å²	71	48.4 Å²	48.4	50%	0.497	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21.9	176.4	-77.2	0	0	0	0	114.2	N584 K588 D671	N584-S586 PolarHBondContact O-N 3.33Å; N584-S586 PolarHBondContact OD1-N 2.9Å; S586-K588 PolarHBondContact O-N 2.97Å; S586-D671 WeakPolarHBondContact CB-OD2 3.42Å; S586-D671 PolarHBondContact N-OD2 3.19Å; S586-D671 PolarHBondContact OG-OD2 2.92Å
587	C	95.5	Very high	90.9	Very high	12 Å²	12	38.7 Å²	38.7	8%	0.081	19%	0.189	C	C	.	.			trans	-77.9	123	-178.4	-179.7	0	0	0	0	111.4	P564 N584 Y593 Q709	P564-C587 VanDerWaalsContact O-CB 3.29Å; P564-C587 WeakPolarHBondContact O-CB 3.34Å; N584-C587 HydrophobicContact CB-CB 3.96Å; N584-C587 PolarHBondContact O-N 3.39Å; N584-C587 VanDerWaalsContact O-N 3.11Å; C587-Y593 HydrophobicContact CB-CE2 4.16Å; C587-Q709 PolarHBondContact O-NE2 3.03Å
588	K	95.9	Very high	93	Very high	108 Å²	108	39.5 Å²	39.5	47%	0.47	19%	0.189	S	C	.	.			trans	-108.7	12.2	-176.8	-57	-58.1	179.9	-164.7	0	114.2	P585 S586 F590	P585-K588 PolarHBondContact O-NZ 3.35Å; P585-K588 VanDerWaalsContact O-NZ 3.16Å; S586-K588 PolarHBondContact O-N 2.97Å; K588-F590 HydrophobicContact CB-CE2 4.21Å; K588-F590 HydrophobicContact CB-CZ 4.38Å; K588-F590 HydrophobicContact CD-CE1 4.38Å; K588-F590 HydrophobicContact CD-CE2 4.08Å; K588-F590 HydrophobicContact CD-CZ 3.58Å; K588-F590 VanDerWaalsContact O-CD2 3.3Å; K588-F590 WeakPolarHBondContact O-CD2 3.45Å; K588-F590 PolarHBondContact O-N 2.93Å
589	D	96.1	Very high	94.8	Very high	55 Å²	55	34.6 Å²	34.6	29%	0.294	17%	0.17	S	C	.	.			trans	-74.5	60.2	175.2	-82.7	0.9	0	0	0	111.5	F565 H591 K592 Y593	F565-D589 HydrophobicContact CE1-CB 4.01Å; D589-H591 PolarHBondContact O-N 3.49Å; D589-H591 VanDerWaalsContact O-N 3.14Å; D589-H591 IonicContact OD1-CE1 2.79Å; D589-K592 HydrophobicContact CB-CB 4.47Å; D589-K592 HydrophobicContact CB-CD 4.32Å; D589-K592 PolarHBondContact O-N 3.47Å; D589-K592 IonicContact OD2-NZ 3.42Å; D589-K592 PolarHBondContact OD2-NZ 3.2Å; D589-Y593 WeakPolarHBondContact O-CD2 3.13Å; D589-Y593 PolarHBondContact O-N 3.36Å
590	F	97.9	Very high	96.1	Very high	69 Å²	69	30.7 Å²	30.7	30%	0.303	15%	0.15	S	C	.	.	H	α-helix	trans	-58.2	-31.3	-173.8	-60.9	-57.4	0	0	0	113.6	K588 K592 Y593 E594 Q708 Q709 A712	K588-F590 HydrophobicContact CB-CE2 4.21Å; K588-F590 HydrophobicContact CB-CZ 4.38Å; K588-F590 HydrophobicContact CD-CE1 4.38Å; K588-F590 HydrophobicContact CD-CE2 4.08Å; K588-F590 HydrophobicContact CD-CZ 3.58Å; K588-F590 VanDerWaalsContact O-CD2 3.3Å; K588-F590 WeakPolarHBondContact O-CD2 3.45Å; K588-F590 PolarHBondContact O-N 2.93Å; F590-K592 VanDerWaalsContact C-N 3.32Å; F590-K592 PolarHBondContact O-N 2.67Å; F590-Y593 PolarHBondContact O-N 3.43Å; F590-E594 WeakPolarHBondContact O-CB 3.49Å; F590-E594 PolarHBondContact O-N 2.89Å; F590-Q708 HydrophobicContact CE1-CB 3.56Å; F590-Q708 HydrophobicContact CZ-CB 3.82Å; F590-Q709 HydrophobicContact CE1-CG 4.36Å; F590-A712 HydrophobicContact CB-CB 4Å; F590-A712 HydrophobicContact CD1-CB 4.1Å; F590-A712 HydrophobicContact CG-CB 4.49Å
591	H	95.9	Very high	96.5	Very high	89 Å²	89	27.3 Å²	27.3	41%	0.412	14%	0.136	S	C	.	.	H	α-helix	trans	-65.3	-31.8	176.9	60.1	-81.6	0	0	0	113.1	Y500 D589 W595	Y500-H591 PolarHBondContact OH-CD2 2.97Å; D589-H591 PolarHBondContact O-N 3.49Å; D589-H591 VanDerWaalsContact O-N 3.14Å; D589-H591 IonicContact OD1-CE1 2.79Å; H591-W595 PolarHBondContact O-N 2.59Å
592	K	96.4	Very high	96.6	Very high	30 Å²	30	27.2 Å²	27.2	13%	0.13	14%	0.136	C	C	.	.	H	α-helix	trans	-79.3	-36.6	174.9	-66.5	178.1	-167	153.3	0	111.4	F496 Y500 F565 D589 F590 E594 W595 I596	F496-K592 HydrophobicContact CE1-CB 4.31Å; F496-K592 HydrophobicContact CE1-CD 4.33Å; F496-K592 HydrophobicContact CZ-CB 4.48Å; Y500-K592 HydrophobicContact CD1-CG 4.43Å; Y500-K592 HydrophobicContact CE1-CG 4.16Å; F565-K592 HydrophobicContact CE1-CB 3.92Å; F565-K592 HydrophobicContact CE1-CD 3.61Å; F565-K592 HydrophobicContact CE1-CG 4.41Å; F565-K592 HydrophobicContact CE2-CD 4.36Å; F565-K592 HydrophobicContact CZ-CB 4.08Å; F565-K592 HydrophobicContact CZ-CD 3.32Å; F565-K592 HydrophobicContact CZ-CG 4.33Å; D589-K592 HydrophobicContact CB-CB 4.47Å; D589-K592 HydrophobicContact CB-CD 4.32Å; D589-K592 PolarHBondContact O-N 3.47Å; D589-K592 IonicContact OD2-NZ 3.42Å; D589-K592 PolarHBondContact OD2-NZ 3.2Å; F590-K592 VanDerWaalsContact C-N 3.32Å; F590-K592 PolarHBondContact O-N 2.67Å; K592-E594 VanDerWaalsContact C-N 3.28Å; K592-E594 PolarHBondContact O-N 3.47Å; K592-W595 PolarHBondContact O-N 3.34Å; K592-I596 WeakPolarHBondContact O-CG1 3.36Å; K592-I596 PolarHBondContact O-N 3.33Å
593	Y	98.4	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-41.6	168.4	-78.1	-69.9	0	0	0	112	F565 P583 N584 C587 D589 F590 W595 I596 G597 Q709 M713	F565-Y593 HydrophobicContact CB-CE1 3.92Å; F565-Y593 HydrophobicContact CD1-CE2 4.48Å; F565-Y593 VanDerWaalsContact O-CE1 3.25Å; F565-Y593 WeakPolarHBondContact O-CE1 3.28Å; F565-Y593 VanDerWaalsContact O-CZ 3.28Å; F565-Y593 PolarHBondContact O-OH 3.42Å; P583-Y593 HydrophobicContact CB-CE1 3.96Å; N584-Y593 PolarHBondContact N-OH 2.88Å; N584-Y593 PolarHBondContact O-OH 3.48Å; C587-Y593 HydrophobicContact CB-CE2 4.16Å; D589-Y593 WeakPolarHBondContact O-CD2 3.13Å; D589-Y593 PolarHBondContact O-N 3.36Å; F590-Y593 PolarHBondContact O-N 3.43Å; Y593-W595 VanDerWaalsContact C-N 3.32Å; Y593-W595 PolarHBondContact O-N 3.15Å; Y593-I596 HydrophobicContact CD1-CD1 4.39Å; Y593-I596 WeakPolarHBondContact O-CB 3.44Å; Y593-I596 PolarHBondContact O-N 2.94Å; Y593-G597 PolarHBondContact O-N 3.38Å; Y593-Q709 HydrophobicContact CD1-CB 4.24Å; Y593-Q709 HydrophobicContact CD2-CB 4.25Å; Y593-Q709 HydrophobicContact CD2-CG 4.07Å; Y593-Q709 HydrophobicContact CE1-CB 3.95Å; Y593-Q709 HydrophobicContact CE1-CG 4.2Å; Y593-Q709 HydrophobicContact CE2-CB 3.95Å; Y593-Q709 HydrophobicContact CE2-CG 3.43Å; Y593-Q709 VanDerWaalsContact CE2-CG 3.43Å; Y593-Q709 HydrophobicContact CG-CB 4.36Å; Y593-Q709 VanDerWaalsContact CZ-CG 3.47Å; Y593-Q709 WeakPolarHBondContact OH-CG 3.24Å; Y593-M713 HydrophobicContact CD1-CG 3.83Å; Y593-M713 HydrophobicContact CD1-SD 3.94Å; Y593-M713 HydrophobicContact CG-CG 4.34Å; Y593-M713 WeakPolarHBondContact O-CA 3.26Å; Y593-M713 WeakPolarHBondContact O-CG 3.44Å
594	E	97.9	Very high	96.3	Very high	51 Å²	51	27.4 Å²	27.4	24%	0.238	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.2	-168.8	178.3	178	0	0	111.4	F590 K592 G597 Q598 A712 G716 K719	F590-E594 WeakPolarHBondContact O-CB 3.49Å; F590-E594 PolarHBondContact O-N 2.89Å; K592-E594 VanDerWaalsContact C-N 3.28Å; K592-E594 PolarHBondContact O-N 3.47Å; E594-G597 WeakPolarHBondContact O-CA 3.29Å; E594-G597 PolarHBondContact O-N 2.92Å; E594-Q598 WeakPolarHBondContact O-CG 3.38Å; E594-Q598 PolarHBondContact O-N 3.25Å; E594-A712 VanDerWaalsContact CA-O 3.29Å; E594-A712 WeakPolarHBondContact CA-O 3.34Å; E594-G716 WeakPolarHBondContact O-CA 3.21Å; E594-K719 WeakPolarHBondContact OE1-CE 3.22Å; E594-K719 IonicContact OE1-NZ 3.53Å; E594-K719 PolarHBondContact OE1-NZ 3.47Å
595	W	97.3	Very high	96.1	Very high	11 Å²	11	27 Å²	27	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-38.9	174.2	-175.8	61.5	0	0	0	113.3	F496 V499 Y500 L503 Y515 M548 H591 K592 Y593 G597 Q598 L599	F496-W595 HydrophobicContact CD1-CZ3 4.21Å; F496-W595 HydrophobicContact CD2-CE3 4.45Å; F496-W595 AromaticContact CD2-CZ3 3.74Å; F496-W595 HydrophobicContact CD2-CZ3 3.74Å; F496-W595 HydrophobicContact CE1-CE3 4.01Å; F496-W595 AromaticContact CE1-CZ3 3.87Å; F496-W595 HydrophobicContact CE1-CZ3 3.87Å; F496-W595 AromaticContact CE2-CE3 3.64Å; F496-W595 HydrophobicContact CE2-CE3 3.64Å; F496-W595 HydrophobicContact CE2-CH2 4.49Å; F496-W595 AromaticContact CE2-CZ3 3.37Å; F496-W595 HydrophobicContact CE2-CZ3 3.37Å; F496-W595 HydrophobicContact CG-CZ3 4.15Å; F496-W595 AromaticContact CZ-CE3 3.39Å; F496-W595 HydrophobicContact CZ-CE3 3.39Å; F496-W595 AromaticContact CZ-CZ3 3.46Å; F496-W595 HydrophobicContact CZ-CZ3 3.46Å; F496-W595 VanDerWaalsContact CZ-CZ3 3.46Å; V499-W595 HydrophobicContact CB-CH2 4.11Å; V499-W595 HydrophobicContact CG1-CH2 3.69Å; V499-W595 HydrophobicContact CG1-CZ2 3.9Å; Y500-W595 HydrophobicContact CD2-CB 4.1Å; Y500-W595 AromaticContact CD2-CD2 3.35Å; Y500-W595 HydrophobicContact CD2-CD2 3.35Å; Y500-W595 AromaticContact CD2-CE2 3.89Å; Y500-W595 AromaticContact CD2-CE3 3.35Å; Y500-W595 HydrophobicContact CD2-CE3 3.35Å; Y500-W595 AromaticContact CD2-CG 3.68Å; Y500-W595 HydrophobicContact CD2-CG 3.68Å; Y500-W595 HydrophobicContact CD2-CH2 4.37Å; Y500-W595 HydrophobicContact CD2-CZ2 4.39Å; Y500-W595 AromaticContact CD2-CZ3 3.88Å; Y500-W595 HydrophobicContact CD2-CZ3 3.88Å; Y500-W595 HydrophobicContact CE2-CB 3.73Å; Y500-W595 AromaticContact CE2-CD2 3.92Å; Y500-W595 HydrophobicContact CE2-CD2 3.92Å; Y500-W595 HydrophobicContact CE2-CE3 4.17Å; Y500-W595 AromaticContact CE2-CG 3.7Å; Y500-W595 HydrophobicContact CE2-CG 3.7Å; Y500-W595 HydrophobicContact CG-CD2 4.4Å; Y500-W595 HydrophobicContact CG-CE3 4.03Å; Y500-W595 HydrophobicContact CG-CZ3 4.18Å; L503-W595 HydrophobicContact CD1-CZ2 4.04Å; Y515-W595 PolarHBondContact OH-NE1 2.86Å; Y515-W595 VanDerWaalsContact OH-NE1 3.14Å; M548-W595 HydrophobicContact SD-CH2 3.88Å; M548-W595 HydrophobicContact SD-CZ3 4.35Å; H591-W595 PolarHBondContact O-N 2.59Å; K592-W595 PolarHBondContact O-N 3.34Å; Y593-W595 VanDerWaalsContact C-N 3.32Å; Y593-W595 PolarHBondContact O-N 3.15Å; W595-G597 PolarHBondContact O-N 3.44Å; W595-Q598 WeakPolarHBondContact O-CA 3.21Å; W595-Q598 WeakPolarHBondContact O-CB 3.42Å; W595-Q598 PolarHBondContact O-N 3.49Å; W595-L599 HydrophobicContact CD2-CD1 4.14Å; W595-L599 HydrophobicContact CD2-CG 4.34Å; W595-L599 HydrophobicContact CE3-CD1 4.17Å; W595-L599 HydrophobicContact CH2-CD1 3.89Å; W595-L599 HydrophobicContact CZ2-CD1 3.83Å; W595-L599 HydrophobicContact CZ2-CD2 4.09Å; W595-L599 HydrophobicContact CZ2-CG 4.22Å; W595-L599 HydrophobicContact CZ3-CD1 4.06Å; W595-L599 PolarHBondContact O-N 3.09Å
596	I	98.4	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-46	169.9	-67.7	163.4	0	0	0	109.5	F496 L552 F565 F566 K592 Y593 Q598 L599 M600 L610 L612 M713	F496-I596 HydrophobicContact CE2-CD1 4.17Å; F496-I596 HydrophobicContact CE2-CG1 3.64Å; F496-I596 HydrophobicContact CZ-CD1 3.98Å; F496-I596 HydrophobicContact CZ-CG1 3.66Å; L552-I596 HydrophobicContact CD1-CG1 4.48Å; L552-I596 HydrophobicContact CD2-CD1 3.88Å; L552-I596 HydrophobicContact CD2-CG1 4.48Å; F565-I596 HydrophobicContact CB-CD1 4.25Å; F565-I596 HydrophobicContact CD2-CD1 4.32Å; F565-I596 HydrophobicContact CG-CD1 4.3Å; F566-I596 HydrophobicContact CE2-CD1 4.06Å; F566-I596 HydrophobicContact CZ-CD1 4.49Å; K592-I596 WeakPolarHBondContact O-CG1 3.36Å; K592-I596 PolarHBondContact O-N 3.33Å; Y593-I596 HydrophobicContact CD1-CD1 4.39Å; Y593-I596 WeakPolarHBondContact O-CB 3.44Å; Y593-I596 PolarHBondContact O-N 2.94Å; I596-Q598 VanDerWaalsContact C-N 3.33Å; I596-Q598 PolarHBondContact O-N 3.33Å; I596-L599 PolarHBondContact O-N 3.48Å; I596-M600 HydrophobicContact CG2-CG 4.45Å; I596-M600 HydrophobicContact CG2-SD 4.2Å; I596-M600 VanDerWaalsContact O-CG 3.26Å; I596-M600 WeakPolarHBondContact O-CG 3.49Å; I596-M600 PolarHBondContact O-N 3.16Å; I596-L610 HydrophobicContact CG2-CD2 4.44Å; I596-L612 HydrophobicContact CG2-CD1 4.31Å; I596-M713 HydrophobicContact CG2-CE 4.05Å
597	G	97.9	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.5	-42.3	173.6	0	0	0	0	0	113.9	Y593 E594 W595 M600 G601 M713 G716 L717	Y593-G597 PolarHBondContact O-N 3.38Å; E594-G597 WeakPolarHBondContact O-CA 3.29Å; E594-G597 PolarHBondContact O-N 2.92Å; W595-G597 PolarHBondContact O-N 3.44Å; G597-M600 WeakPolarHBondContact O-CB 2.88Å; G597-M600 PolarHBondContact O-N 3.46Å; G597-G601 PolarHBondContact O-N 3.12Å; G597-M713 VanDerWaalsContact CA-O 3.22Å; G597-M713 WeakPolarHBondContact CA-O 3.39Å; G597-G716 VanDerWaalsContact C-C 3.46Å; G597-L717 VanDerWaalsContact C-N 3.34Å; G597-L717 WeakPolarHBondContact O-CA 3.25Å; G597-L717 PolarHBondContact O-N 3.19Å
598	Q	96.6	Very high	94.7	Very high	35 Å²	35	29.7 Å²	29.7	16%	0.164	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-42.8	175.7	-68.1	178	-37.4	0	0	111.9	Y515 E594 W595 I596 M600 G601 A602 G716 K719 V720	Y515-Q598 HydrophobicContact CD2-CB 4.13Å; Y515-Q598 HydrophobicContact CE2-CB 4.24Å; E594-Q598 WeakPolarHBondContact O-CG 3.38Å; E594-Q598 PolarHBondContact O-N 3.25Å; W595-Q598 WeakPolarHBondContact O-CA 3.21Å; W595-Q598 WeakPolarHBondContact O-CB 3.42Å; W595-Q598 PolarHBondContact O-N 3.49Å; I596-Q598 VanDerWaalsContact C-N 3.33Å; I596-Q598 PolarHBondContact O-N 3.33Å; Q598-M600 VanDerWaalsContact C-N 3.34Å; Q598-M600 PolarHBondContact O-N 3.48Å; Q598-G601 PolarHBondContact O-N 3.36Å; Q598-G601 VanDerWaalsContact O-N 3.16Å; Q598-A602 WeakPolarHBondContact O-CB 3.36Å; Q598-A602 PolarHBondContact O-N 2.97Å; Q598-G716 WeakPolarHBondContact CG-O 3.41Å; Q598-K719 HydrophobicContact CG-CB 4.46Å; Q598-K719 VanDerWaalsContact NE2-CD 3.34Å; Q598-V720 HydrophobicContact CB-CG2 4.02Å; Q598-V720 HydrophobicContact CG-CG2 4.18Å
599	L	96.6	Very high	94.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-39	175	-66.2	178.7	0	0	0	111.8	Y515 W525 M548 W595 I596 G601 A602 A603 L610	Y515-L599 HydrophobicContact CE1-CD2 4.31Å; W525-L599 HydrophobicContact CH2-CD2 3.98Å; W525-L599 HydrophobicContact CZ3-CD2 3.97Å; M548-L599 HydrophobicContact CE-CD1 4.24Å; W595-L599 HydrophobicContact CD2-CD1 4.14Å; W595-L599 HydrophobicContact CD2-CG 4.34Å; W595-L599 HydrophobicContact CE3-CD1 4.17Å; W595-L599 HydrophobicContact CH2-CD1 3.89Å; W595-L599 HydrophobicContact CZ2-CD1 3.83Å; W595-L599 HydrophobicContact CZ2-CD2 4.09Å; W595-L599 HydrophobicContact CZ2-CG 4.22Å; W595-L599 HydrophobicContact CZ3-CD1 4.06Å; W595-L599 PolarHBondContact O-N 3.09Å; I596-L599 PolarHBondContact O-N 3.48Å; L599-G601 VanDerWaalsContact C-N 3.31Å; L599-G601 PolarHBondContact O-N 3.32Å; L599-A602 WeakPolarHBondContact O-CB 3.32Å; L599-A602 PolarHBondContact O-N 3.46Å; L599-A603 WeakPolarHBondContact O-CB 3.05Å; L599-A603 PolarHBondContact O-N 2.87Å; L599-L610 HydrophobicContact CB-CD2 3.89Å
600	M	97.6	Very high	94.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-44.3	172	-63.8	169.7	76.8	0	0	110.8	I596 G597 Q598 A602 A603 L604 L610 L612 W619 L622 M713 L717 V738	I596-M600 HydrophobicContact CG2-CG 4.45Å; I596-M600 HydrophobicContact CG2-SD 4.2Å; I596-M600 VanDerWaalsContact O-CG 3.26Å; I596-M600 WeakPolarHBondContact O-CG 3.49Å; I596-M600 PolarHBondContact O-N 3.16Å; G597-M600 WeakPolarHBondContact O-CB 2.88Å; G597-M600 PolarHBondContact O-N 3.46Å; Q598-M600 VanDerWaalsContact C-N 3.34Å; Q598-M600 PolarHBondContact O-N 3.48Å; M600-A602 VanDerWaalsContact C-N 3.33Å; M600-A602 PolarHBondContact O-N 3.15Å; M600-A603 PolarHBondContact O-N 2.91Å; M600-L604 WeakPolarHBondContact O-CB 3.2Å; M600-L604 PolarHBondContact O-N 2.79Å; M600-L610 HydrophobicContact CG-CD2 3.93Å; M600-L612 HydrophobicContact CE-CD1 4.35Å; M600-L612 HydrophobicContact CG-CD1 4.12Å; M600-L612 HydrophobicContact SD-CD1 4.11Å; M600-W619 HydrophobicContact CE-CE3 4.13Å; M600-W619 HydrophobicContact CE-CH2 3.56Å; M600-W619 HydrophobicContact CE-CZ3 3.21Å; M600-L622 HydrophobicContact CE-CD1 3.61Å; M600-M713 HydrophobicContact CE-CE 4.36Å; M600-M713 HydrophobicContact SD-CE 3.6Å; M600-L717 HydrophobicContact CB-CD1 4.24Å; M600-V738 HydrophobicContact CB-CG1 3.95Å; M600-V738 HydrophobicContact CB-CG2 4.15Å; M600-V738 HydrophobicContact CE-CG1 4.37Å; M600-V738 HydrophobicContact CG-CG1 3.92Å
601	G	95.6	Very high	94	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.1	-36.8	176.8	0	0	0	0	0	113.4	G597 Q598 L599 L604 R605 V720	G597-G601 PolarHBondContact O-N 3.12Å; Q598-G601 PolarHBondContact O-N 3.36Å; Q598-G601 VanDerWaalsContact O-N 3.16Å; L599-G601 VanDerWaalsContact C-N 3.31Å; L599-G601 PolarHBondContact O-N 3.32Å; G601-L604 PolarHBondContact O-N 3.41Å; G601-R605 WeakPolarHBondContact O-CG 3.39Å; G601-R605 PolarHBondContact O-N 3.12Å; G601-V720 VanDerWaalsContact C-CG1 3.44Å
602	A	94	Very high	93.8	Very high	1 Å²	1	17 Å²	17	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-63.3	-48.1	174.6	0	0	0	0	0	110.6	Y515 W524 Q598 L599 M600 L604 R605 G606	Y515-A602 HydrophobicContact CD1-CB 3.93Å; Y515-A602 HydrophobicContact CG-CB 4.05Å; W524-A602 HydrophobicContact CD2-CB 4Å; W524-A602 HydrophobicContact CE3-CB 4.15Å; W524-A602 HydrophobicContact CH2-CB 3.62Å; W524-A602 HydrophobicContact CZ2-CB 3.4Å; W524-A602 VanDerWaalsContact CZ2-O 3.32Å; W524-A602 WeakPolarHBondContact CZ2-O 3.36Å; W524-A602 HydrophobicContact CZ3-CB 3.97Å; Q598-A602 WeakPolarHBondContact O-CB 3.36Å; Q598-A602 PolarHBondContact O-N 2.97Å; L599-A602 WeakPolarHBondContact O-CB 3.32Å; L599-A602 PolarHBondContact O-N 3.46Å; M600-A602 VanDerWaalsContact C-N 3.33Å; M600-A602 PolarHBondContact O-N 3.15Å; A602-L604 VanDerWaalsContact C-N 3.34Å; A602-L604 PolarHBondContact O-N 3.28Å; A602-R605 PolarHBondContact O-N 3.13Å; A602-G606 PolarHBondContact O-N 2.88Å
603	A	93.8	Very high	93.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-42.1	175.8	0	0	0	0	0	112	W524 L599 M600 R605 G606 D608 L610 V738	W524-A603 HydrophobicContact CH2-CB 4.23Å; L599-A603 WeakPolarHBondContact O-CB 3.05Å; L599-A603 PolarHBondContact O-N 2.87Å; M600-A603 PolarHBondContact O-N 2.91Å; A603-R605 VanDerWaalsContact C-N 3.26Å; A603-R605 PolarHBondContact O-N 2.69Å; A603-G606 PolarHBondContact O-N 3.08Å; A603-D608 WeakPolarHBondContact CA-O 3.48Å; A603-D608 WeakPolarHBondContact CB-O 3.37Å; A603-L610 HydrophobicContact CB-CB 4.47Å; A603-V738 HydrophobicContact CB-CG1 4.45Å
604	L	93.9	Very high	93.3	Very high	9 Å²	9	16.7 Å²	16.7	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-59.4	-35.6	177.9	-173.1	151.9	0	0	0	113.1	L457 M600 G601 A602 V721 V725 L726 L729 V734 K737 V738	L457-L604 HydrophobicContact CD1-CD2 4.47Å; L457-L604 HydrophobicContact CD2-CD2 4.43Å; M600-L604 WeakPolarHBondContact O-CB 3.2Å; M600-L604 PolarHBondContact O-N 2.79Å; G601-L604 PolarHBondContact O-N 3.41Å; A602-L604 VanDerWaalsContact C-N 3.34Å; A602-L604 PolarHBondContact O-N 3.28Å; L604-V721 HydrophobicContact CB-CG2 4.27Å; L604-V721 HydrophobicContact CD1-CG1 4.4Å; L604-V721 HydrophobicContact CD1-CG2 4.36Å; L604-V721 HydrophobicContact CD2-CG1 3.99Å; L604-V721 HydrophobicContact CD2-CG2 3.9Å; L604-V721 HydrophobicContact CG-CG2 4.4Å; L604-V725 HydrophobicContact CD2-CG1 4.37Å; L604-L726 HydrophobicContact CD1-CD2 4.33Å; L604-L729 HydrophobicContact CD1-CD1 4.17Å; L604-V734 HydrophobicContact CD1-CG1 4.28Å; L604-V734 HydrophobicContact CD1-CG2 4.44Å; L604-K737 HydrophobicContact CB-CB 4.48Å; L604-K737 HydrophobicContact CG-CB 4.04Å; L604-K737 HydrophobicContact CG-CD 4.17Å; L604-V738 HydrophobicContact CB-CG2 4.27Å
605	R	90.9	Very high	92.9	Very high	19 Å²	19	14.3 Å²	14.3	7%	0.072	8%	0.075	C	C	.	.	H	α-helix	trans	-83.3	-31.6	177.3	-65.1	178.6	80.6	132.7	6.3	112.6	L457 S460 R516 G601 A602 A603 V720 V721	L457-R605 HydrophobicContact CD2-CG 4.01Å; L457-R605 PolarHBondContact O-NH2 3.46Å; S460-R605 PolarHBondContact OG-NH1 3.5Å; S460-R605 PolarHBondContact OG-NH2 3.28Å; R516-R605 VanDerWaalsContact CB-NH1 3.29Å; R516-R605 VanDerWaalsContact CG-NH1 3.29Å; R516-R605 PolarHBondContact O-NH2 3.39Å; G601-R605 WeakPolarHBondContact O-CG 3.39Å; G601-R605 PolarHBondContact O-N 3.12Å; A602-R605 PolarHBondContact O-N 3.13Å; A603-R605 VanDerWaalsContact C-N 3.26Å; A603-R605 PolarHBondContact O-N 2.69Å; R605-V720 PolarHBondContact NH1-O 3.45Å; R605-V721 HydrophobicContact CG-CG2 4.45Å
606	G	87.2	Confident	92.5	Very high	22 Å²	22	14.5 Å²	14.5	23%	0.227	8%	0.081	C	C	.	.	S	Bend	trans	-89.6	-167.1	-173.8	0	0	0	0	0	114.2	A602 A603	A602-G606 PolarHBondContact O-N 2.88Å; A603-G606 PolarHBondContact O-N 3.08Å
607	K	82.2	Confident	92.2	Very high	121 Å²	121	14.9 Å²	14.9	53%	0.526	8%	0.083	S	C	.	.	S	Bend	trans	-109.6	-5.5	176.9	-63.3	-179.9	-176.4	173.5	0	113.1	R790	K607-R790 PolarHBondContact O-NH1 2.62Å; K607-R790 PolarHBondContact O-NH2 3.41Å
608	D	87.3	Confident	92.1	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.084	C	C	.	.	S	Bend	trans	-104.9	154.7	-179.6	-70.8	-70.7	0	0	0	110.8	D522 F541 R542 L545 A603 R790	D522-D608 VanDerWaalsContact O-OD2 3.08Å; F541-D608 HydrophobicContact CE1-CB 4.17Å; R542-D608 WeakPolarHBondContact CD-OD1 3.49Å; R542-D608 WeakPolarHBondContact CG-OD1 3.46Å; L545-D608 HydrophobicContact CD1-CB 3.96Å; A603-D608 WeakPolarHBondContact CA-O 3.48Å; A603-D608 WeakPolarHBondContact CB-O 3.37Å; D608-R790 VanDerWaalsContact CG-NH2 3.32Å; D608-R790 IonicContact OD1-CZ 3.71Å; D608-R790 IonicContact OD1-NE 3.05Å; D608-R790 PolarHBondContact OD1-NE 2.93Å; D608-R790 IonicContact OD1-NH2 3.48Å; D608-R790 PolarHBondContact OD1-NH2 2.76Å; D608-R790 IonicContact OD2-NH2 3.14Å
609	F	90.4	Very high	92	Very high	25 Å²	25	13.3 Å²	13.3	11%	0.11	8%	0.076	C	C	.	.			trans	-114.1	143	-167.8	-54.8	-53.1	0	0	0	112	V611 V738 C739 P794	F609-V611 HydrophobicContact CB-CG2 4.11Å; F609-V738 CarbonylContact C-O 3.6Å; F609-V738 VanDerWaalsContact CA-O 3.27Å; F609-V738 WeakPolarHBondContact CA-O 3.33Å; F609-V738 WeakPolarHBondContact CB-O 3.39Å; F609-C739 WeakPolarHBondContact CB-O 3.47Å; F609-C739 WeakPolarHBondContact CG-O 3.45Å; F609-P794 HydrophobicContact CZ-CG 4.35Å
610	L	93.9	Very high	91.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.082	C	C	.	.			trans	-103.5	100.1	161.9	-179.2	71.2	0	0	0	106.8	L552 I596 L599 M600 A603 L612 V738 C739	L552-L610 HydrophobicContact CD1-CD1 4.42Å; I596-L610 HydrophobicContact CG2-CD2 4.44Å; L599-L610 HydrophobicContact CB-CD2 3.89Å; M600-L610 HydrophobicContact CG-CD2 3.93Å; A603-L610 HydrophobicContact CB-CB 4.47Å; L610-L612 HydrophobicContact CD2-CD1 3.96Å; L610-L612 HydrophobicContact CD2-CD2 4.36Å; L610-L612 HydrophobicContact CD2-CG 4.22Å; L610-L612 HydrophobicContact CG-CD1 4.34Å; L610-L612 HydrophobicContact CG-CD2 4.11Å; L610-L612 HydrophobicContact CG-CG 4.04Å; L610-L612 PolarHBondContact O-N 2.9Å; L610-L612 VanDerWaalsContact O-N 3.12Å; L610-V738 HydrophobicContact CB-CG1 4.43Å; L610-V738 PolarHBondContact N-O 3.39Å; L610-C739 PolarHBondContact O-SG 3Å
611	V	91.3	Very high	91.7	Very high	29 Å²	29	16.9 Å²	16.9	18%	0.176	9%	0.092	C	C	.	.			trans	-81.2	100.9	-170.2	-177	0	0	0	0	109.5	S549 F609 R792	S549-V611 WeakPolarHBondContact CB-O 3.49Å; S549-V611 PolarHBondContact OG-N 3.11Å; F609-V611 HydrophobicContact CB-CG2 4.11Å; V611-R792 HydrophobicContact CG1-CG 4.38Å; V611-R792 HydrophobicContact CG2-CG 4.35Å
612	L	93.1	Very high	91.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.			trans	-111.7	122.8	176.4	-54.5	176.2	0	0	0	109.7	L552 I596 M600 L610 L614 C739	L552-L612 HydrophobicContact CB-CD2 4.12Å; L552-L612 HydrophobicContact CD1-CD2 3.94Å; I596-L612 HydrophobicContact CG2-CD1 4.31Å; M600-L612 HydrophobicContact CE-CD1 4.35Å; M600-L612 HydrophobicContact CG-CD1 4.12Å; M600-L612 HydrophobicContact SD-CD1 4.11Å; L610-L612 HydrophobicContact CD2-CD1 3.96Å; L610-L612 HydrophobicContact CD2-CD2 4.36Å; L610-L612 HydrophobicContact CD2-CG 4.22Å; L610-L612 HydrophobicContact CG-CD1 4.34Å; L610-L612 HydrophobicContact CG-CD2 4.11Å; L610-L612 HydrophobicContact CG-CG 4.04Å; L610-L612 PolarHBondContact O-N 2.9Å; L610-L612 VanDerWaalsContact O-N 3.12Å; L612-L614 VanDerWaalsContact C-N 3.32Å; L612-L614 HydrophobicContact CB-CD1 4.06Å; L612-L614 HydrophobicContact CB-CD2 4.42Å; L612-L614 HydrophobicContact CB-CG 3.83Å; L612-L614 HydrophobicContact CD1-CD1 4.12Å; L612-L614 PolarHBondContact O-N 3.08Å; L612-L614 VanDerWaalsContact O-N 3.13Å; L612-C739 PolarHBondContact N-SG 3.22Å; L612-C739 VanDerWaalsContact N-SG 3.37Å; L612-C739 PolarHBondContact O-SG 3.48Å
613	A	90.1	Very high	91.4	Very high	22 Å²	22	16.9 Å²	16.9	18%	0.182	9%	0.092	C	C	.	.			trans	-85.1	74.8	173.2	0	0	0	0	0	109.9	C553 D579 Y580 Y581	C553-A613 HydrophobicContact CB-CB 4.41Å; D579-A613 VanDerWaalsContact O-CB 3.27Å; D579-A613 WeakPolarHBondContact O-CB 3.5Å; Y580-A613 CarbonylContact C-O 3.52Å; Y580-A613 WeakPolarHBondContact CA-O 3.46Å; Y580-A613 HydrophobicContact CD1-CB 4.47Å; Y581-A613 HydrophobicContact CD2-CB 4.11Å; Y581-A613 PolarHBondContact N-O 2.96Å
614	L	92.6	Very high	91.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.105	C	C	.	.			trans	-103.7	142.8	178	-49.9	175.2	0	0	0	110.4	F566 Y580 Y581 L612 V618 W619 M713	F566-L614 HydrophobicContact CD1-CD2 3.9Å; F566-L614 HydrophobicContact CE1-CD2 3.63Å; F566-L614 HydrophobicContact CZ-CD2 4.29Å; Y580-L614 VanDerWaalsContact CD1-C 3.45Å; Y580-L614 WeakPolarHBondContact CE1-O 3.37Å; Y581-L614 WeakPolarHBondContact O-CD2 3.26Å; L612-L614 VanDerWaalsContact C-N 3.32Å; L612-L614 HydrophobicContact CB-CD1 4.06Å; L612-L614 HydrophobicContact CB-CD2 4.42Å; L612-L614 HydrophobicContact CB-CG 3.83Å; L612-L614 HydrophobicContact CD1-CD1 4.12Å; L612-L614 PolarHBondContact O-N 3.08Å; L612-L614 VanDerWaalsContact O-N 3.13Å; L614-V618 HydrophobicContact CB-CB 4.18Å; L614-V618 HydrophobicContact CB-CG1 4.42Å; L614-V618 HydrophobicContact CD1-CG1 3.96Å; L614-W619 HydrophobicContact CB-CZ2 4.31Å; L614-W619 HydrophobicContact CD1-CH2 4.44Å; L614-W619 HydrophobicContact CD1-CZ2 4.03Å; L614-W619 HydrophobicContact CG-CZ2 4.35Å; L614-W619 PolarHBondContact O-NE1 3.08Å; L614-W619 VanDerWaalsContact O-NE1 3.09Å; L614-M713 HydrophobicContact CD1-CE 4.37Å
615	P	90.3	Very high	90.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.			trans	-71.8	156.4	176.6	30.2	-31.9	0	0	0	110.5	Y580 Y581 V582 L617 V618 A635 V636	Y580-P615 HydrophobicContact CD1-CB 4.45Å; Y580-P615 HydrophobicContact CD2-CB 4.25Å; Y580-P615 HydrophobicContact CG-CB 4.1Å; Y581-P615 WeakPolarHBondContact O-CD 3.3Å; V582-P615 HydrophobicContact CG1-CG 3.78Å; P615-L617 HydrophobicContact CG-CB 4.47Å; P615-L617 PolarHBondContact O-N 2.91Å; P615-V618 HydrophobicContact CG-CG2 4.04Å; P615-V618 PolarHBondContact O-N 2.82Å; P615-A635 HydrophobicContact CB-CB 3.9Å; P615-V636 HydrophobicContact CB-CG2 4.45Å; P615-V636 HydrophobicContact CG-CG2 3.94Å
616	G	88.2	Confident	90.6	Very high	15 Å²	15	22.7 Å²	22.7	16%	0.155	13%	0.134	C	C	.	.	H	α-helix	trans	-51.6	-28.3	178.1	0	0	0	0	0	114	V618 W619 K620	G616-V618 VanDerWaalsContact C-N 3.34Å; G616-V618 PolarHBondContact O-N 2.8Å; G616-W619 PolarHBondContact O-N 2.68Å; G616-K620 WeakPolarHBondContact O-CB 3.48Å; G616-K620 VanDerWaalsContact O-CG 3.26Å; G616-K620 WeakPolarHBondContact O-CG 3.29Å; G616-K620 PolarHBondContact O-N 3.33Å
617	L	92.3	Very high	90.8	Very high	9 Å²	9	24 Å²	24	5%	0.047	14%	0.137	C	C	.	.	H	α-helix	trans	-49.8	-50.9	170.6	-179	75.5	0	0	0	112.3	P615 Q621 V627 D632 F633 V636 L703	P615-L617 HydrophobicContact CG-CB 4.47Å; P615-L617 PolarHBondContact O-N 2.91Å; L617-Q621 VanDerWaalsContact O-CG 3.31Å; L617-Q621 WeakPolarHBondContact O-CG 3.4Å; L617-Q621 PolarHBondContact O-N 3.33Å; L617-Q621 VanDerWaalsContact O-N 3.15Å; L617-V627 HydrophobicContact CD1-CB 3.79Å; L617-V627 HydrophobicContact CD1-CG1 3.75Å; L617-V627 HydrophobicContact CD1-CG2 4.36Å; L617-D632 HydrophobicContact CB-CB 4.24Å; L617-D632 HydrophobicContact CD1-CB 3.99Å; L617-F633 HydrophobicContact CD2-CD2 4.06Å; L617-F633 HydrophobicContact CD2-CE2 4.37Å; L617-V636 HydrophobicContact CD2-CG2 3.72Å; L617-L703 HydrophobicContact CD1-CD2 3.78Å
618	V	95.8	Very high	91	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-71.6	-43.5	-175.6	179.7	0	0	0	0	110.2	V582 P583 L614 P615 G616 K620 Q621 L622 V710	V582-V618 HydrophobicContact CG1-CG2 4.15Å; P583-V618 HydrophobicContact CG-CG1 4.31Å; L614-V618 HydrophobicContact CB-CB 4.18Å; L614-V618 HydrophobicContact CB-CG1 4.42Å; L614-V618 HydrophobicContact CD1-CG1 3.96Å; P615-V618 HydrophobicContact CG-CG2 4.04Å; P615-V618 PolarHBondContact O-N 2.82Å; G616-V618 VanDerWaalsContact C-N 3.34Å; G616-V618 PolarHBondContact O-N 2.8Å; V618-K620 PolarHBondContact O-N 2.93Å; V618-Q621 PolarHBondContact O-N 2.9Å; V618-L622 HydrophobicContact CG1-CD1 4.22Å; V618-L622 WeakPolarHBondContact O-CG 3.47Å; V618-L622 PolarHBondContact O-N 2.76Å; V618-V710 HydrophobicContact CG1-CG2 4.36Å
619	W	95.3	Very high	91.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-43.5	176.7	-65.6	114.5	0	0	0	112.2	M600 L614 G616 Q621 L622 T623 W731 V734 E735 V738 C739	M600-W619 HydrophobicContact CE-CE3 4.13Å; M600-W619 HydrophobicContact CE-CH2 3.56Å; M600-W619 HydrophobicContact CE-CZ3 3.21Å; L614-W619 HydrophobicContact CB-CZ2 4.31Å; L614-W619 HydrophobicContact CD1-CH2 4.44Å; L614-W619 HydrophobicContact CD1-CZ2 4.03Å; L614-W619 HydrophobicContact CG-CZ2 4.35Å; L614-W619 PolarHBondContact O-NE1 3.08Å; L614-W619 VanDerWaalsContact O-NE1 3.09Å; G616-W619 PolarHBondContact O-N 2.68Å; W619-Q621 VanDerWaalsContact C-N 3.34Å; W619-Q621 PolarHBondContact O-N 2.8Å; W619-L622 HydrophobicContact CE3-CD1 4.06Å; W619-L622 HydrophobicContact CZ3-CD1 4.38Å; W619-L622 WeakPolarHBondContact O-CB 3.4Å; W619-L622 PolarHBondContact O-N 3.08Å; W619-T623 WeakPolarHBondContact O-CG2 3.14Å; W619-T623 PolarHBondContact O-N 3.15Å; W619-T623 PolarHBondContact O-OG1 3.21Å; W619-W731 HydrophobicContact CB-CB 3.94Å; W619-W731 HydrophobicContact CB-CD2 4.21Å; W619-W731 HydrophobicContact CB-CE3 3.59Å; W619-W731 HydrophobicContact CB-CG 4.4Å; W619-W731 HydrophobicContact CB-CZ3 4.47Å; W619-W731 HydrophobicContact CG-CE3 4.05Å; W619-V734 HydrophobicContact CE3-CG1 4.21Å; W619-V734 HydrophobicContact CZ3-CG1 4.17Å; W619-E735 HydrophobicContact CD2-CB 3.91Å; W619-E735 HydrophobicContact CD2-CG 4.35Å; W619-E735 HydrophobicContact CE3-CB 4.29Å; W619-E735 HydrophobicContact CG-CB 4.29Å; W619-E735 HydrophobicContact CH2-CB 4.48Å; W619-E735 HydrophobicContact CZ2-CB 4.13Å; W619-E735 HydrophobicContact CZ2-CG 3.83Å; W619-V738 HydrophobicContact CH2-CB 4.09Å; W619-V738 HydrophobicContact CH2-CG1 3.99Å; W619-V738 HydrophobicContact CZ3-CB 4.32Å; W619-V738 HydrophobicContact CZ3-CG1 4.47Å; W619-V738 HydrophobicContact CZ3-CG2 4.35Å; W619-C739 VanDerWaalsContact CZ2-SG 3.6Å
620	K	92.9	Very high	90.8	Very high	31 Å²	31	22.6 Å²	22.6	14%	0.135	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-43	174.9	-76.7	177.6	172.7	-176.5	0	112	G616 V618 L622 T623 G624 E625 V627 D632 W731	G616-K620 WeakPolarHBondContact O-CB 3.48Å; G616-K620 VanDerWaalsContact O-CG 3.26Å; G616-K620 WeakPolarHBondContact O-CG 3.29Å; G616-K620 PolarHBondContact O-N 3.33Å; V618-K620 PolarHBondContact O-N 2.93Å; K620-L622 PolarHBondContact O-N 3.21Å; K620-T623 PolarHBondContact O-N 2.64Å; K620-T623 PolarHBondContact O-OG1 2.89Å; K620-G624 CarbonylContact O-C 3.59Å; K620-G624 PolarHBondContact O-N 2.65Å; K620-E625 HydrophobicContact CB-CB 3.91Å; K620-E625 HydrophobicContact CG-CB 3.91Å; K620-E625 PolarHBondContact O-N 3.41Å; K620-V627 HydrophobicContact CB-CG1 3.75Å; K620-V627 HydrophobicContact CD-CG1 4.37Å; K620-D632 WeakPolarHBondContact CE-OD1 3.36Å; K620-D632 VanDerWaalsContact NZ-CG 3.27Å; K620-D632 IonicContact NZ-OD1 2.66Å; K620-D632 PolarHBondContact NZ-OD1 3.33Å; K620-D632 IonicContact NZ-OD2 2.65Å; K620-D632 PolarHBondContact NZ-OD2 3.21Å; K620-D632 VanDerWaalsContact NZ-OD2 3.11Å; K620-W731 HydrophobicContact CG-CB 4.19Å; K620-W731 HydrophobicContact CG-CD2 4.29Å; K620-W731 HydrophobicContact CG-CG 3.73Å
621	Q	94.1	Very high	90.1	Very high	43 Å²	43	27.5 Å²	27.5	20%	0.201	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-41.3	176.2	-69	174.3	-18.8	0	0	111.9	L617 V618 W619 T623 G624 V627 L703 V710	L617-Q621 VanDerWaalsContact O-CG 3.31Å; L617-Q621 WeakPolarHBondContact O-CG 3.4Å; L617-Q621 PolarHBondContact O-N 3.33Å; L617-Q621 VanDerWaalsContact O-N 3.15Å; V618-Q621 PolarHBondContact O-N 2.9Å; W619-Q621 VanDerWaalsContact C-N 3.34Å; W619-Q621 PolarHBondContact O-N 2.8Å; Q621-T623 VanDerWaalsContact C-N 3.35Å; Q621-T623 PolarHBondContact O-N 2.86Å; Q621-G624 PolarHBondContact O-N 2.83Å; Q621-V627 HydrophobicContact CG-CG1 3.87Å; Q621-L703 PolarHBondContact NE2-O 2.8Å; Q621-V710 HydrophobicContact CB-CG1 3.71Å
622	L	94	Very high	89.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-37.7	176.6	-72.6	170	0	0	0	112.8	M600 V618 W619 K620 V710 M713 Q714	M600-L622 HydrophobicContact CE-CD1 3.61Å; V618-L622 HydrophobicContact CG1-CD1 4.22Å; V618-L622 WeakPolarHBondContact O-CG 3.47Å; V618-L622 PolarHBondContact O-N 2.76Å; W619-L622 HydrophobicContact CE3-CD1 4.06Å; W619-L622 HydrophobicContact CZ3-CD1 4.38Å; W619-L622 WeakPolarHBondContact O-CB 3.4Å; W619-L622 PolarHBondContact O-N 3.08Å; K620-L622 PolarHBondContact O-N 3.21Å; L622-V710 HydrophobicContact CD2-CG1 3.82Å; L622-V710 HydrophobicContact CG-CG1 4.03Å; L622-M713 HydrophobicContact CD1-CE 4.34Å; L622-M713 HydrophobicContact CD2-CB 3.74Å; L622-Q714 HydrophobicContact CD2-CB 4.16Å; L622-Q714 PolarHBondContact O-NE2 3.05Å
623	T	90.2	Very high	89.8	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-90.5	-6	-179.3	68.1	0	0	0	0	113.6	K440 W619 K620 Q621 E625 W731 V734	K440-T623 PolarHBondContact NZ-O 3.3Å; W619-T623 WeakPolarHBondContact O-CG2 3.14Å; W619-T623 PolarHBondContact O-N 3.15Å; W619-T623 PolarHBondContact O-OG1 3.21Å; K620-T623 PolarHBondContact O-N 2.64Å; K620-T623 PolarHBondContact O-OG1 2.89Å; Q621-T623 VanDerWaalsContact C-N 3.35Å; Q621-T623 PolarHBondContact O-N 2.86Å; T623-E625 PolarHBondContact OG1-OE1 2.68Å; T623-W731 HydrophobicContact CG2-CB 4.23Å; T623-V734 HydrophobicContact CG2-CB 3.96Å; T623-V734 HydrophobicContact CG2-CG1 4.19Å; T623-V734 HydrophobicContact CG2-CG2 3.67Å
624	G	86.8	Confident	89.6	Confident	27 Å²	27	27.8 Å²	27.8	28%	0.278	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	20.2	-178.9	0	0	0	0	0	114.5	K620 Q621	K620-G624 CarbonylContact O-C 3.59Å; K620-G624 PolarHBondContact O-N 2.65Å; Q621-G624 PolarHBondContact O-N 2.83Å
625	E	88.3	Confident	89.2	Confident	22 Å²	22	28.8 Å²	28.8	10%	0.103	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-76.9	153.7	171.2	-76.2	-177.5	-117.7	0	0	111.9	K440 Q441 K620 T623 V627 W731	K440-E625 HydrophobicContact CD-CG 3.53Å; Q441-E625 PolarHBondContact NE2-OE2 3.14Å; Q441-E625 VanDerWaalsContact NE2-OE2 3.16Å; K620-E625 HydrophobicContact CB-CB 3.91Å; K620-E625 HydrophobicContact CG-CB 3.91Å; K620-E625 PolarHBondContact O-N 3.41Å; T623-E625 PolarHBondContact OG1-OE1 2.68Å; E625-V627 PolarHBondContact O-N 3.42Å; E625-W731 WeakPolarHBondContact OE1-CB 3.47Å; E625-W731 PolarHBondContact OE1-N 2.91Å
626	T	86.6	Confident	89	Confident	102 Å²	102	28.9 Å²	28.9	63%	0.626	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-73.2	127.3	179	50.4	0	0	0	0	110.9
627	V	90.3	Very high	89.1	Confident	48 Å²	48	29.1 Å²	29.1	29%	0.291	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-91.9	144.6	173.5	-64.2	0	0	0	0	111.3	L617 K620 Q621 E625 D632	L617-V627 HydrophobicContact CD1-CB 3.79Å; L617-V627 HydrophobicContact CD1-CG1 3.75Å; L617-V627 HydrophobicContact CD1-CG2 4.36Å; K620-V627 HydrophobicContact CB-CG1 3.75Å; K620-V627 HydrophobicContact CD-CG1 4.37Å; Q621-V627 HydrophobicContact CG-CG1 3.87Å; E625-V627 PolarHBondContact O-N 3.42Å; V627-D632 WeakPolarHBondContact CA-OD2 3.45Å
628	S	86.6	Confident	88.8	Confident	35 Å²	35	30.2 Å²	30.2	25%	0.245	18%	0.179	C	C	.	.			trans	-124.4	128.4	-178.6	175.9	0	0	0	0	110.7	S630 K631 D632	S628-S630 PolarHBondContact O-N 3.27Å; S628-K631 PolarHBondContact O-N 3.21Å; S628-D632 PolarHBondContact N-OD2 2.88Å; S628-D632 WeakPolarHBondContact O-CB 3.29Å; S628-D632 PolarHBondContact O-N 3.26Å
629	W	90.1	Very high	88.6	Confident	21 Å²	21	35 Å²	35	8%	0.08	21%	0.208	C	C	.	.	H	α-helix	trans	-51.9	-56.4	177.5	177	-98.3	0	0	0	112.5	K631 F633 P634 L640 V641 L644 Q699 R702 L703	W629-K631 PolarHBondContact O-N 3.48Å; W629-F633 HydrophobicContact CD2-CB 4.3Å; W629-F633 HydrophobicContact CD2-CD1 4.5Å; W629-F633 HydrophobicContact CD2-CG 4.48Å; W629-F633 HydrophobicContact CE3-CB 4.01Å; W629-F633 AromaticContact CE3-CD1 3.97Å; W629-F633 HydrophobicContact CE3-CD1 3.97Å; W629-F633 HydrophobicContact CE3-CD2 4.36Å; W629-F633 AromaticContact CE3-CG 3.84Å; W629-F633 HydrophobicContact CE3-CG 3.84Å; W629-F633 AromaticContact CH2-CD1 3.45Å; W629-F633 HydrophobicContact CH2-CD1 3.45Å; W629-F633 VanDerWaalsContact CH2-CD1 3.45Å; W629-F633 AromaticContact CH2-CE1 3.57Å; W629-F633 HydrophobicContact CH2-CE1 3.57Å; W629-F633 HydrophobicContact CH2-CG 4.16Å; W629-F633 HydrophobicContact CH2-CZ 4.36Å; W629-F633 HydrophobicContact CZ2-CD1 4.01Å; W629-F633 HydrophobicContact CZ2-CE1 4.43Å; W629-F633 HydrophobicContact CZ3-CB 4.31Å; W629-F633 AromaticContact CZ3-CD1 3.41Å; W629-F633 HydrophobicContact CZ3-CD1 3.41Å; W629-F633 VanDerWaalsContact CZ3-CD1 3.41Å; W629-F633 HydrophobicContact CZ3-CD2 4.07Å; W629-F633 AromaticContact CZ3-CE1 3.66Å; W629-F633 HydrophobicContact CZ3-CE1 3.66Å; W629-F633 HydrophobicContact CZ3-CE2 4.29Å; W629-F633 AromaticContact CZ3-CG 3.65Å; W629-F633 HydrophobicContact CZ3-CG 3.65Å; W629-F633 HydrophobicContact CZ3-CZ 4.12Å; W629-F633 WeakPolarHBondContact O-CB 3.47Å; W629-F633 PolarHBondContact O-N 3.17Å; W629-P634 WeakPolarHBondContact O-CD 3.47Å; W629-L640 HydrophobicContact CH2-CD2 4.02Å; W629-L640 HydrophobicContact CH2-CG 4.23Å; W629-L640 HydrophobicContact CZ2-CG 4.31Å; W629-V641 HydrophobicContact CZ2-CG2 3.96Å; W629-L644 HydrophobicContact CH2-CD1 4.04Å; W629-L644 HydrophobicContact CZ2-CD1 3.47Å; W629-L644 VanDerWaalsContact CZ2-CD1 3.47Å; W629-L644 HydrophobicContact CZ2-CG 4.36Å; W629-Q699 HydrophobicContact CD2-CB 4.08Å; W629-Q699 HydrophobicContact CD2-CG 3.5Å; W629-Q699 VanDerWaalsContact CD2-CG 3.5Å; W629-Q699 HydrophobicContact CE3-CB 3.84Å; W629-Q699 HydrophobicContact CE3-CG 3.75Å; W629-Q699 HydrophobicContact CG-CG 3.92Å; W629-Q699 HydrophobicContact CH2-CG 4.2Å; W629-Q699 HydrophobicContact CZ2-CG 4Å; W629-Q699 HydrophobicContact CZ3-CB 4.16Å; W629-Q699 HydrophobicContact CZ3-CG 4.1Å; W629-R702 HydrophobicContact CH2-CB 4.37Å; W629-R702 HydrophobicContact CZ3-CB 3.99Å; W629-L703 HydrophobicContact CB-CD1 4.34Å; W629-L703 HydrophobicContact CE3-CD1 4.07Å; W629-L703 HydrophobicContact CE3-CD2 4.27Å; W629-L703 HydrophobicContact CE3-CG 3.89Å; W629-L703 HydrophobicContact CZ3-CG 4.38Å
630	S	84.1	Confident	88.4	Confident	65 Å²	65	36.2 Å²	36.2	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-70.2	-12.6	-174.1	53.6	0	0	0	0	114.8	S628	S628-S630 PolarHBondContact O-N 3.27Å
631	K	79.4	Confident	88.3	Confident	105 Å²	105	34.9 Å²	34.9	46%	0.457	21%	0.209	S	C	.	.	H	α-helix	trans	-114.7	-44	-172.8	-58.7	-179.7	-172.4	167.5	0	112.9	E212 S628 W629	E212-K631 IonicContact OE1-NZ 3.41Å; E212-K631 PolarHBondContact OE1-NZ 3.12Å; S628-K631 PolarHBondContact O-N 3.21Å; W629-K631 PolarHBondContact O-N 3.48Å
632	D	86	Confident	88.1	Confident	16 Å²	16	37.6 Å²	37.6	9%	0.086	23%	0.225	C	C	.	.	H	α-helix	trans	-97.7	-33.3	-171.8	-59.4	-51.6	0	0	0	111.8	L617 K620 V627 S628 P634 A635	L617-D632 HydrophobicContact CB-CB 4.24Å; L617-D632 HydrophobicContact CD1-CB 3.99Å; K620-D632 WeakPolarHBondContact CE-OD1 3.36Å; K620-D632 VanDerWaalsContact NZ-CG 3.27Å; K620-D632 IonicContact NZ-OD1 2.66Å; K620-D632 PolarHBondContact NZ-OD1 3.33Å; K620-D632 IonicContact NZ-OD2 2.65Å; K620-D632 PolarHBondContact NZ-OD2 3.21Å; K620-D632 VanDerWaalsContact NZ-OD2 3.11Å; V627-D632 WeakPolarHBondContact CA-OD2 3.45Å; S628-D632 PolarHBondContact N-OD2 2.88Å; S628-D632 WeakPolarHBondContact O-CB 3.29Å; S628-D632 PolarHBondContact O-N 3.26Å; D632-P634 VanDerWaalsContact C-CD 3.44Å; D632-A635 PolarHBondContact O-N 3.44Å
633	F	91.2	Very high	88.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-24.8	-179.1	-152	-101.1	0	0	0	115.3	L617 W629 A635 V636 D637 L640 V641 R702 L703	L617-F633 HydrophobicContact CD2-CD2 4.06Å; L617-F633 HydrophobicContact CD2-CE2 4.37Å; W629-F633 HydrophobicContact CD2-CB 4.3Å; W629-F633 HydrophobicContact CD2-CD1 4.5Å; W629-F633 HydrophobicContact CD2-CG 4.48Å; W629-F633 HydrophobicContact CE3-CB 4.01Å; W629-F633 AromaticContact CE3-CD1 3.97Å; W629-F633 HydrophobicContact CE3-CD1 3.97Å; W629-F633 HydrophobicContact CE3-CD2 4.36Å; W629-F633 AromaticContact CE3-CG 3.84Å; W629-F633 HydrophobicContact CE3-CG 3.84Å; W629-F633 AromaticContact CH2-CD1 3.45Å; W629-F633 HydrophobicContact CH2-CD1 3.45Å; W629-F633 VanDerWaalsContact CH2-CD1 3.45Å; W629-F633 AromaticContact CH2-CE1 3.57Å; W629-F633 HydrophobicContact CH2-CE1 3.57Å; W629-F633 HydrophobicContact CH2-CG 4.16Å; W629-F633 HydrophobicContact CH2-CZ 4.36Å; W629-F633 HydrophobicContact CZ2-CD1 4.01Å; W629-F633 HydrophobicContact CZ2-CE1 4.43Å; W629-F633 HydrophobicContact CZ3-CB 4.31Å; W629-F633 AromaticContact CZ3-CD1 3.41Å; W629-F633 HydrophobicContact CZ3-CD1 3.41Å; W629-F633 VanDerWaalsContact CZ3-CD1 3.41Å; W629-F633 HydrophobicContact CZ3-CD2 4.07Å; W629-F633 AromaticContact CZ3-CE1 3.66Å; W629-F633 HydrophobicContact CZ3-CE1 3.66Å; W629-F633 HydrophobicContact CZ3-CE2 4.29Å; W629-F633 AromaticContact CZ3-CG 3.65Å; W629-F633 HydrophobicContact CZ3-CG 3.65Å; W629-F633 HydrophobicContact CZ3-CZ 4.12Å; W629-F633 WeakPolarHBondContact O-CB 3.47Å; W629-F633 PolarHBondContact O-N 3.17Å; F633-A635 PolarHBondContact O-N 3.44Å; F633-A635 VanDerWaalsContact O-N 3.15Å; F633-V636 HydrophobicContact CD2-CB 4.28Å; F633-V636 HydrophobicContact CD2-CG2 4.49Å; F633-V636 HydrophobicContact CE2-CB 4.14Å; F633-V636 HydrophobicContact CE2-CG1 4.09Å; F633-V636 HydrophobicContact CZ-CB 4.29Å; F633-V636 HydrophobicContact CZ-CG1 4.03Å; F633-V636 WeakPolarHBondContact O-CA 3.41Å; F633-V636 WeakPolarHBondContact O-CB 3.47Å; F633-V636 PolarHBondContact O-N 3.39Å; F633-D637 HydrophobicContact CD1-CB 4.33Å; F633-D637 HydrophobicContact CE1-CB 3.73Å; F633-D637 HydrophobicContact CZ-CB 4.42Å; F633-D637 PolarHBondContact O-N 2.91Å; F633-L640 HydrophobicContact CE1-CD2 4.14Å; F633-V641 HydrophobicContact CB-CG2 4.15Å; F633-V641 HydrophobicContact CD1-CG2 3.85Å; F633-R702 HydrophobicContact CE1-CB 4.29Å; F633-R702 HydrophobicContact CE2-CB 4.06Å; F633-R702 WeakPolarHBondContact CE2-O 3.4Å; F633-R702 HydrophobicContact CZ-CB 3.64Å; F633-L703 HydrophobicContact CB-CD2 4.43Å; F633-L703 HydrophobicContact CD2-CD2 3.82Å; F633-L703 HydrophobicContact CG-CD2 4.44Å
634	P	86.3	Confident	88.3	Confident	40 Å²	40	41.3 Å²	41.3	26%	0.26	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-27.3	173.2	-25.9	34.8	0	0	0	113.8	N571 W629 D632 V636 S638 V641	N571-P634 PolarHBondContact ND2-O 3.46Å; W629-P634 WeakPolarHBondContact O-CD 3.47Å; D632-P634 VanDerWaalsContact C-CD 3.44Å; P634-V636 PolarHBondContact O-N 3.25Å; P634-S638 WeakPolarHBondContact O-CB 3.37Å; P634-S638 PolarHBondContact O-N 3.29Å; P634-V641 HydrophobicContact CG-CG1 4.29Å; P634-V641 HydrophobicContact CG-CG2 4.14Å
635	A	83.4	Confident	88.6	Confident	23 Å²	23	43.9 Å²	43.9	19%	0.19	25%	0.249	C	C	.	.	H	α-helix	trans	-69.8	-17.2	174	0	0	0	0	0	113.2	N571 P615 D632 F633	N571-A635 PolarHBondContact ND2-O 3.14Å; P615-A635 HydrophobicContact CB-CB 3.9Å; D632-A635 PolarHBondContact O-N 3.44Å; F633-A635 PolarHBondContact O-N 3.44Å; F633-A635 VanDerWaalsContact O-N 3.15Å
636	V	88.1	Confident	88.8	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-98.9	-48	175.4	-178.1	0	0	0	0	111.2	T569 S570 V582 P615 L617 F633 P634	T569-V636 WeakPolarHBondContact CB-O 3.43Å; T569-V636 HydrophobicContact CG2-CB 4.4Å; T569-V636 HydrophobicContact CG2-CG1 4.28Å; T569-V636 HydrophobicContact CG2-CG2 4.45Å; S570-V636 PolarHBondContact N-O 3.44Å; V582-V636 HydrophobicContact CG1-CG1 4.29Å; V582-V636 HydrophobicContact CG1-CG2 3.97Å; P615-V636 HydrophobicContact CB-CG2 4.45Å; P615-V636 HydrophobicContact CG-CG2 3.94Å; L617-V636 HydrophobicContact CD2-CG2 3.72Å; F633-V636 HydrophobicContact CD2-CB 4.28Å; F633-V636 HydrophobicContact CD2-CG2 4.49Å; F633-V636 HydrophobicContact CE2-CB 4.14Å; F633-V636 HydrophobicContact CE2-CG1 4.09Å; F633-V636 HydrophobicContact CZ-CB 4.29Å; F633-V636 HydrophobicContact CZ-CG1 4.03Å; F633-V636 WeakPolarHBondContact O-CA 3.41Å; F633-V636 WeakPolarHBondContact O-CB 3.47Å; F633-V636 PolarHBondContact O-N 3.39Å; P634-V636 PolarHBondContact O-N 3.25Å
637	D	89.4	Confident	89.2	Confident	21 Å²	21	40.6 Å²	40.6	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-154.4	79.9	-175.3	-162.7	-27.6	0	0	0	111.1	S570 F633 V639 L640 V641 R702	S570-D637 VanDerWaalsContact CB-CG 3.45Å; S570-D637 VanDerWaalsContact CB-OD2 3.28Å; S570-D637 WeakPolarHBondContact CB-OD2 3.28Å; S570-D637 PolarHBondContact OG-OD2 2.62Å; F633-D637 HydrophobicContact CD1-CB 4.33Å; F633-D637 HydrophobicContact CE1-CB 3.73Å; F633-D637 HydrophobicContact CZ-CB 4.42Å; F633-D637 PolarHBondContact O-N 2.91Å; D637-V639 VanDerWaalsContact C-N 3.27Å; D637-V639 PolarHBondContact O-N 3.18Å; D637-L640 HydrophobicContact CB-CB 4.05Å; D637-L640 PolarHBondContact O-N 3.2Å; D637-L640 VanDerWaalsContact OD1-CB 3.27Å; D637-L640 WeakPolarHBondContact OD1-CB 2.96Å; D637-L640 PolarHBondContact OD1-N 3.49Å; D637-V641 WeakPolarHBondContact O-CG2 3.03Å; D637-V641 PolarHBondContact O-N 3.32Å; D637-V641 VanDerWaalsContact O-N 3.15Å; D637-R702 IonicContact OD2-NH2 3.72Å; D637-R702 PolarHBondContact OD2-NH2 3.31Å
638	S	86.8	Confident	89.3	Confident	32 Å²	32	42.1 Å²	42.1	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-34.5	179	58.4	0	0	0	0	112.8	N571 P634 V641 N642	N571-S638 WeakPolarHBondContact OD1-CB 3.23Å; N571-S638 PolarHBondContact OD1-N 3.43Å; N571-S638 PolarHBondContact OD1-OG 3.08Å; P634-S638 WeakPolarHBondContact O-CB 3.37Å; P634-S638 PolarHBondContact O-N 3.29Å; S638-V641 PolarHBondContact O-N 2.91Å; S638-N642 WeakPolarHBondContact O-CB 3.12Å; S638-N642 VanDerWaalsContact O-CG 3.26Å; S638-N642 PolarHBondContact O-N 3.14Å; S638-N642 PolarHBondContact O-ND2 2.91Å; S638-N642 VanDerWaalsContact O-ND2 3.09Å
639	V	89.7	Confident	89.5	Confident	103 Å²	103	47.1 Å²	47.1	62%	0.624	26%	0.264	S	S	*	.	H	α-helix	trans	-65.8	-46.1	179.1	177.3	0	0	0	0	110.4	D637 N642 L643	D637-V639 VanDerWaalsContact C-N 3.27Å; D637-V639 PolarHBondContact O-N 3.18Å; V639-N642 PolarHBondContact O-N 3.05Å; V639-L643 VanDerWaalsContact O-CB 3.32Å; V639-L643 WeakPolarHBondContact O-CB 3.48Å; V639-L643 PolarHBondContact O-N 3.05Å
640	L	92.4	Very high	89.6	Confident	24 Å²	24	47.2 Å²	47.2	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-42.5	176.4	179.6	59.7	0	0	0	111.8	W629 F633 D637 N642 L643 L644 V698 R702	W629-L640 HydrophobicContact CH2-CD2 4.02Å; W629-L640 HydrophobicContact CH2-CG 4.23Å; W629-L640 HydrophobicContact CZ2-CG 4.31Å; F633-L640 HydrophobicContact CE1-CD2 4.14Å; D637-L640 HydrophobicContact CB-CB 4.05Å; D637-L640 PolarHBondContact O-N 3.2Å; D637-L640 VanDerWaalsContact OD1-CB 3.27Å; D637-L640 WeakPolarHBondContact OD1-CB 2.96Å; D637-L640 PolarHBondContact OD1-N 3.49Å; L640-N642 PolarHBondContact O-N 2.66Å; L640-L643 HydrophobicContact CD1-CD2 4.5Å; L640-L643 PolarHBondContact O-N 3.31Å; L640-L644 HydrophobicContact CD1-CD1 4.34Å; L640-L644 HydrophobicContact CD1-CD2 4.14Å; L640-L644 HydrophobicContact CD1-CG 3.99Å; L640-L644 HydrophobicContact CG-CD1 4.49Å; L640-L644 HydrophobicContact CG-CG 4.44Å; L640-L644 WeakPolarHBondContact O-CG 3.3Å; L640-L644 PolarHBondContact O-N 3.19Å; L640-V698 HydrophobicContact CD1-CG1 4.41Å; L640-V698 HydrophobicContact CD2-CG1 4.22Å; L640-R702 HydrophobicContact CD2-CG 4.17Å
641	V	90.3	Very high	90.2	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-52.7	176.3	175	0	0	0	0	110.5	W629 F633 P634 D637 S638 L643 L644 E645	W629-V641 HydrophobicContact CZ2-CG2 3.96Å; F633-V641 HydrophobicContact CB-CG2 4.15Å; F633-V641 HydrophobicContact CD1-CG2 3.85Å; P634-V641 HydrophobicContact CG-CG1 4.29Å; P634-V641 HydrophobicContact CG-CG2 4.14Å; D637-V641 WeakPolarHBondContact O-CG2 3.03Å; D637-V641 PolarHBondContact O-N 3.32Å; D637-V641 VanDerWaalsContact O-N 3.15Å; S638-V641 PolarHBondContact O-N 2.91Å; V641-L643 VanDerWaalsContact C-N 3.29Å; V641-L643 PolarHBondContact O-N 3.12Å; V641-L644 PolarHBondContact O-N 3.35Å; V641-E645 HydrophobicContact CG1-CG 4.44Å; V641-E645 WeakPolarHBondContact O-CG 3.43Å; V641-E645 PolarHBondContact O-N 2.79Å
642	N	90.4	Very high	90.9	Very high	99 Å²	99	46.8 Å²	46.8	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-38.1	179	-71	-33.3	0	0	0	112.3	S638 V639 L640 A646	S638-N642 WeakPolarHBondContact O-CB 3.12Å; S638-N642 VanDerWaalsContact O-CG 3.26Å; S638-N642 PolarHBondContact O-N 3.14Å; S638-N642 PolarHBondContact O-ND2 2.91Å; S638-N642 VanDerWaalsContact O-ND2 3.09Å; V639-N642 PolarHBondContact O-N 3.05Å; L640-N642 PolarHBondContact O-N 2.66Å; N642-A646 VanDerWaalsContact O-CB 3.26Å; N642-A646 WeakPolarHBondContact O-CB 3.27Å; N642-A646 PolarHBondContact O-N 3.36Å
643	L	92.9	Very high	91.3	Very high	76 Å²	76	53.6 Å²	53.6	40%	0.398	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-47.3	177.4	-180	65.7	0	0	0	111.8	V639 L640 V641 A646 M647 F659	V639-L643 VanDerWaalsContact O-CB 3.32Å; V639-L643 WeakPolarHBondContact O-CB 3.48Å; V639-L643 PolarHBondContact O-N 3.05Å; L640-L643 HydrophobicContact CD1-CD2 4.5Å; L640-L643 PolarHBondContact O-N 3.31Å; V641-L643 VanDerWaalsContact C-N 3.29Å; V641-L643 PolarHBondContact O-N 3.12Å; L643-A646 PolarHBondContact O-N 2.89Å; L643-M647 VanDerWaalsContact O-CB 3.29Å; L643-M647 WeakPolarHBondContact O-CB 3.44Å; L643-M647 PolarHBondContact O-N 2.76Å; L643-F659 HydrophobicContact CD1-CE1 4.14Å; L643-F659 HydrophobicContact CD1-CZ 3.76Å
644	L	95.1	Very high	91.3	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-38.8	-179.7	-62.5	-169.9	0	0	0	111.7	W629 L640 V641 M647 E648 F694 I695 V698 Q699	W629-L644 HydrophobicContact CH2-CD1 4.04Å; W629-L644 HydrophobicContact CZ2-CD1 3.47Å; W629-L644 VanDerWaalsContact CZ2-CD1 3.47Å; W629-L644 HydrophobicContact CZ2-CG 4.36Å; L640-L644 HydrophobicContact CD1-CD1 4.34Å; L640-L644 HydrophobicContact CD1-CD2 4.14Å; L640-L644 HydrophobicContact CD1-CG 3.99Å; L640-L644 HydrophobicContact CG-CD1 4.49Å; L640-L644 HydrophobicContact CG-CG 4.44Å; L640-L644 WeakPolarHBondContact O-CG 3.3Å; L640-L644 PolarHBondContact O-N 3.19Å; V641-L644 PolarHBondContact O-N 3.35Å; L644-M647 PolarHBondContact O-N 3.43Å; L644-E648 PolarHBondContact O-N 3.37Å; L644-F694 HydrophobicContact CD2-CE1 4.37Å; L644-I695 HydrophobicContact CB-CG1 4.34Å; L644-I695 HydrophobicContact CB-CG2 4.27Å; L644-I695 HydrophobicContact CD1-CG2 4.27Å; L644-I695 HydrophobicContact CD2-CG1 4.17Å; L644-V698 HydrophobicContact CD1-CB 4.13Å; L644-V698 HydrophobicContact CD1-CG1 3.8Å; L644-Q699 HydrophobicContact CD1-CG 4.05Å
645	E	92.8	Very high	91.7	Very high	81 Å²	81	54.1 Å²	54.1	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-40.8	175.1	-72.8	-178.9	177.1	0	0	112	V641 N649	V641-E645 HydrophobicContact CG1-CG 4.44Å; V641-E645 WeakPolarHBondContact O-CG 3.43Å; V641-E645 PolarHBondContact O-N 2.79Å; E645-N649 PolarHBondContact O-ND2 2.88Å
646	A	93.1	Very high	92.1	Very high	52 Å²	52	57.9 Å²	57.9	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-43.4	173.2	0	0	0	0	0	111.4	N642 L643 E648 N649 M650	N642-A646 VanDerWaalsContact O-CB 3.26Å; N642-A646 WeakPolarHBondContact O-CB 3.27Å; N642-A646 PolarHBondContact O-N 3.36Å; L643-A646 PolarHBondContact O-N 2.89Å; A646-E648 VanDerWaalsContact C-N 3.33Å; A646-E648 PolarHBondContact O-N 3.13Å; A646-N649 PolarHBondContact O-N 3.33Å; A646-M650 WeakPolarHBondContact O-CB 3.31Å; A646-M650 PolarHBondContact O-N 2.66Å
647	M	93.9	Very high	92.3	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-36	178.5	179	173.3	159.2	0	0	112.5	L643 L644 N649 F655 L663 V686 R691 F694 I695	L643-M647 VanDerWaalsContact O-CB 3.29Å; L643-M647 WeakPolarHBondContact O-CB 3.44Å; L643-M647 PolarHBondContact O-N 2.76Å; L644-M647 PolarHBondContact O-N 3.43Å; M647-N649 VanDerWaalsContact C-N 3.35Å; M647-N649 PolarHBondContact O-N 3.49Å; M647-F655 HydrophobicContact CE-CE2 3.57Å; M647-F655 HydrophobicContact CE-CZ 4Å; M647-F655 HydrophobicContact CG-CD2 4.13Å; M647-F655 HydrophobicContact CG-CE2 3.79Å; M647-F655 HydrophobicContact SD-CE2 3.94Å; M647-L663 HydrophobicContact CE-CD2 3.7Å; M647-L663 HydrophobicContact SD-CD2 4.06Å; M647-V686 HydrophobicContact CE-CG1 4.32Å; M647-R691 HydrophobicContact CE-CB 3.48Å; M647-R691 VanDerWaalsContact CE-CB 3.48Å; M647-R691 HydrophobicContact CG-CB 4.48Å; M647-R691 WeakPolarHBondContact O-CD 3.48Å; M647-R691 PolarHBondContact O-NE 3.09Å; M647-F694 HydrophobicContact CE-CB 4.39Å; M647-F694 HydrophobicContact CE-CD1 3.4Å; M647-F694 VanDerWaalsContact CE-CD1 3.4Å; M647-F694 HydrophobicContact CE-CE1 4Å; M647-F694 HydrophobicContact CE-CG 4.19Å; M647-F694 HydrophobicContact SD-CD1 4.16Å; M647-F694 HydrophobicContact SD-CE1 4.26Å; M647-I695 HydrophobicContact CB-CD1 4.35Å; M647-I695 HydrophobicContact CE-CG1 4.33Å; M647-I695 HydrophobicContact CG-CD1 4.15Å; M647-I695 HydrophobicContact SD-CG1 4.36Å
648	E	93.1	Very high	92.2	Very high	80 Å²	80	73 Å²	73	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-44.4	178.6	-173.1	165.5	-166.9	0	0	112.1	L644 A646 R691 I695	L644-E648 PolarHBondContact O-N 3.37Å; A646-E648 VanDerWaalsContact C-N 3.33Å; A646-E648 PolarHBondContact O-N 3.13Å; E648-R691 PolarHBondContact O-NE 3.28Å; E648-R691 PolarHBondContact O-NH2 2.91Å; E648-I695 HydrophobicContact CB-CD1 3.89Å
649	N	91.7	Very high	92.4	Very high	140 Å²	140	72.9 Å²	72.9	75%	0.749	36%	0.362	S	S	*	.	H	α-helix	trans	-92.1	-3.7	-174.8	-63.2	-61.1	0	0	0	114	E645 A646 M647	E645-N649 PolarHBondContact O-ND2 2.88Å; A646-N649 PolarHBondContact O-N 3.33Å; M647-N649 VanDerWaalsContact C-N 3.35Å; M647-N649 PolarHBondContact O-N 3.49Å
650	M	92.5	Very high	91.9	Very high	22 Å²	22	69.5 Å²	69.5	11%	0.108	35%	0.348	C	S	.	.			trans	-66	144.4	179.7	-162.9	169.2	-69.9	0	0	111.5	A646 T654 F655 F659 Y688	A646-M650 WeakPolarHBondContact O-CB 3.31Å; A646-M650 PolarHBondContact O-N 2.66Å; M650-T654 HydrophobicContact CE-CG2 4.35Å; M650-T654 HydrophobicContact CG-CG2 3.74Å; M650-T654 HydrophobicContact SD-CG2 3.69Å; M650-F655 HydrophobicContact CG-CB 4.31Å; M650-F655 VanDerWaalsContact SD-CA 3.58Å; M650-F655 HydrophobicContact SD-CB 4.06Å; M650-F655 HydrophobicContact SD-CD2 4.4Å; M650-F659 HydrophobicContact CE-CE2 3.86Å; M650-F659 HydrophobicContact SD-CD2 4.23Å; M650-F659 HydrophobicContact SD-CE2 3.82Å; M650-Y688 WeakPolarHBondContact O-CE2 3.41Å; M650-Y688 PolarHBondContact O-OH 3.23Å
651	D	94.9	Very high	91.1	Very high	75 Å²	75	77 Å²	77	40%	0.401	38%	0.383	S	S	.	.			trans	-76.4	164.5	169.6	69.8	87.7	0	0	0	111.6	E653 T654 F655	D651-E653 PolarHBondContact O-N 2.72Å; D651-E653 WeakPolarHBondContact OD1-CB 3.32Å; D651-E653 PolarHBondContact OD1-N 2.95Å; D651-T654 VanDerWaalsContact CG-OG1 3.29Å; D651-T654 PolarHBondContact OD1-N 3.43Å; D651-T654 PolarHBondContact OD1-OG1 3.12Å; D651-T654 VanDerWaalsContact OD2-CB 3.24Å; D651-T654 WeakPolarHBondContact OD2-CB 3.36Å; D651-T654 PolarHBondContact OD2-OG1 2.57Å; D651-F655 WeakPolarHBondContact O-CB 3.29Å; D651-F655 PolarHBondContact O-N 3.01Å
652	K	94.6	Very high	90.9	Very high	86 Å²	86	85 Å²	85	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-64	-41.9	-174.1	-177	167.6	178.7	160.9	0	113	F655 E656 Y688 E689	K652-F655 PolarHBondContact O-N 2.98Å; K652-E656 WeakPolarHBondContact CE-OE1 3.37Å; K652-E656 HydrophobicContact CG-CG 4.43Å; K652-E656 IonicContact NZ-OE1 3.08Å; K652-E656 WeakPolarHBondContact O-CG 3.48Å; K652-E656 PolarHBondContact O-N 2.78Å; K652-Y688 HydrophobicContact CB-CD1 3.82Å; K652-Y688 HydrophobicContact CB-CD2 4.2Å; K652-Y688 HydrophobicContact CB-CE1 3.8Å; K652-Y688 HydrophobicContact CB-CE2 4.19Å; K652-Y688 HydrophobicContact CB-CG 4Å; K652-Y688 HydrophobicContact CD-CD1 3.9Å; K652-Y688 HydrophobicContact CD-CE1 4.44Å; K652-Y688 HydrophobicContact CD-CG 4.36Å; K652-Y688 HydrophobicContact CG-CD1 3.8Å; K652-Y688 HydrophobicContact CG-CD2 4.42Å; K652-Y688 HydrophobicContact CG-CE1 4.3Å; K652-Y688 HydrophobicContact CG-CG 3.85Å; K652-E689 IonicContact NZ-OE1 2.74Å; K652-E689 PolarHBondContact NZ-OE1 3.09Å
653	E	94	Very high	91	Very high	160 Å²	160	81.8 Å²	81.8	75%	0.748	40%	0.402	S	S	*	.	H	α-helix	trans	-66.9	-44.8	-176.2	-63.4	165.3	-174.9	0	0	110	D651 F655 F657	D651-E653 PolarHBondContact O-N 2.72Å; D651-E653 WeakPolarHBondContact OD1-CB 3.32Å; D651-E653 PolarHBondContact OD1-N 2.95Å; E653-F655 PolarHBondContact O-N 2.97Å; E653-F657 WeakPolarHBondContact O-CB 3.45Å; E653-F657 PolarHBondContact O-N 2.71Å
654	T	92.9	Very high	91.1	Very high	47 Å²	47	79.8 Å²	79.8	29%	0.288	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-38.9	175.1	-56.6	0	0	0	0	111.9	M650 D651 F657 R658	M650-T654 HydrophobicContact CE-CG2 4.35Å; M650-T654 HydrophobicContact CG-CG2 3.74Å; M650-T654 HydrophobicContact SD-CG2 3.69Å; D651-T654 VanDerWaalsContact CG-OG1 3.29Å; D651-T654 PolarHBondContact OD1-N 3.43Å; D651-T654 PolarHBondContact OD1-OG1 3.12Å; D651-T654 VanDerWaalsContact OD2-CB 3.24Å; D651-T654 WeakPolarHBondContact OD2-CB 3.36Å; D651-T654 PolarHBondContact OD2-OG1 2.57Å; T654-F657 PolarHBondContact O-N 3.12Å; T654-R658 HydrophobicContact CG2-CG 4.37Å; T654-R658 WeakPolarHBondContact O-CB 3.19Å; T654-R658 WeakPolarHBondContact O-CG 3.05Å; T654-R658 PolarHBondContact O-N 2.96Å
655	F	93.6	Very high	91.2	Very high	3 Å²	3	80.5 Å²	80.5	1%	0.013	40%	0.396	C	S	.	.	H	α-helix	trans	-64.2	-49.4	177.9	-178.5	-90.6	0	0	0	112	M647 M650 D651 K652 E653 F657 R658 F659 L663 V686 Y688 R691	M647-F655 HydrophobicContact CE-CE2 3.57Å; M647-F655 HydrophobicContact CE-CZ 4Å; M647-F655 HydrophobicContact CG-CD2 4.13Å; M647-F655 HydrophobicContact CG-CE2 3.79Å; M647-F655 HydrophobicContact SD-CE2 3.94Å; M650-F655 HydrophobicContact CG-CB 4.31Å; M650-F655 VanDerWaalsContact SD-CA 3.58Å; M650-F655 HydrophobicContact SD-CB 4.06Å; M650-F655 HydrophobicContact SD-CD2 4.4Å; D651-F655 WeakPolarHBondContact O-CB 3.29Å; D651-F655 PolarHBondContact O-N 3.01Å; K652-F655 PolarHBondContact O-N 2.98Å; E653-F655 PolarHBondContact O-N 2.97Å; F655-F657 VanDerWaalsContact C-N 3.28Å; F655-F657 PolarHBondContact O-N 2.62Å; F655-R658 PolarHBondContact O-N 3.21Å; F655-F659 HydrophobicContact CD2-CB 4.43Å; F655-F659 AromaticContact CD2-CD2 3.54Å; F655-F659 HydrophobicContact CD2-CD2 3.54Å; F655-F659 HydrophobicContact CD2-CE2 4.24Å; F655-F659 HydrophobicContact CD2-CG 4.36Å; F655-F659 HydrophobicContact CE1-CB 4.36Å; F655-F659 HydrophobicContact CE2-CB 4.02Å; F655-F659 AromaticContact CE2-CD2 3.62Å; F655-F659 HydrophobicContact CE2-CD2 3.62Å; F655-F659 HydrophobicContact CE2-CE2 4.4Å; F655-F659 HydrophobicContact CE2-CG 4.06Å; F655-F659 HydrophobicContact CG-CD2 4.27Å; F655-F659 HydrophobicContact CZ-CB 4Å; F655-F659 HydrophobicContact CZ-CD2 4.45Å; F655-F659 WeakPolarHBondContact O-CB 3.42Å; F655-F659 PolarHBondContact O-N 3.38Å; F655-L663 HydrophobicContact CE2-CD2 4.36Å; F655-L663 HydrophobicContact CZ-CD2 4.11Å; F655-V686 HydrophobicContact CZ-CG1 4.38Å; F655-Y688 HydrophobicContact CB-CD2 3.61Å; F655-Y688 HydrophobicContact CB-CE2 4.22Å; F655-Y688 AromaticContact CD1-CD2 3.98Å; F655-Y688 HydrophobicContact CD1-CD2 3.98Å; F655-Y688 HydrophobicContact CD1-CG 4.37Å; F655-Y688 HydrophobicContact CD2-CD2 4.41Å; F655-Y688 AromaticContact CG-CD2 3.72Å; F655-Y688 HydrophobicContact CG-CD2 3.72Å; F655-R691 HydrophobicContact CE2-CB 4.26Å; F655-R691 HydrophobicContact CZ-CB 4.42Å
656	E	91.7	Very high	91.4	Very high	103 Å²	103	77.8 Å²	77.8	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-62.5	-37.2	178.3	-72.2	176.5	175	0	0	111.6	K652 G660	K652-E656 WeakPolarHBondContact CE-OE1 3.37Å; K652-E656 HydrophobicContact CG-CG 4.43Å; K652-E656 IonicContact NZ-OE1 3.08Å; K652-E656 WeakPolarHBondContact O-CG 3.48Å; K652-E656 PolarHBondContact O-N 2.78Å; E656-G660 VanDerWaalsContact O-CA 3.22Å; E656-G660 WeakPolarHBondContact O-CA 2.95Å; E656-G660 PolarHBondContact O-N 2.93Å; E656-G660 VanDerWaalsContact O-N 3.12Å
657	F	91.9	Very high	91.5	Very high	181 Å²	181	75.5 Å²	75.5	79%	0.794	37%	0.365	S	S	*	.	H	α-helix	trans	-66.7	-41.6	175	176.6	-98.7	0	0	0	113.4	E653 T654 F655	E653-F657 WeakPolarHBondContact O-CB 3.45Å; E653-F657 PolarHBondContact O-N 2.71Å; T654-F657 PolarHBondContact O-N 3.12Å; F655-F657 VanDerWaalsContact C-N 3.28Å; F655-F657 PolarHBondContact O-N 2.62Å
658	R	88.6	Confident	91.5	Very high	157 Å²	157	78.6 Å²	78.6	59%	0.592	39%	0.386	S	S	*	.	H	α-helix	trans	-84.6	-36	-175.9	-74.8	-170.5	-177.6	-134.3	3.3	114.4	T654 F655	T654-R658 HydrophobicContact CG2-CG 4.37Å; T654-R658 WeakPolarHBondContact O-CB 3.19Å; T654-R658 WeakPolarHBondContact O-CG 3.05Å; T654-R658 PolarHBondContact O-N 2.96Å; F655-R658 PolarHBondContact O-N 3.21Å
659	F	89.6	Confident	91.5	Very high	31 Å²	31	75.7 Å²	75.7	14%	0.136	37%	0.372	C	S	.	.	H	α-helix	trans	-121.7	-20.9	-167.1	-61.6	-68.9	0	0	0	113.8	L643 M650 F655 E662 L663	L643-F659 HydrophobicContact CD1-CE1 4.14Å; L643-F659 HydrophobicContact CD1-CZ 3.76Å; M650-F659 HydrophobicContact CE-CE2 3.86Å; M650-F659 HydrophobicContact SD-CD2 4.23Å; M650-F659 HydrophobicContact SD-CE2 3.82Å; F655-F659 HydrophobicContact CD2-CB 4.43Å; F655-F659 AromaticContact CD2-CD2 3.54Å; F655-F659 HydrophobicContact CD2-CD2 3.54Å; F655-F659 HydrophobicContact CD2-CE2 4.24Å; F655-F659 HydrophobicContact CD2-CG 4.36Å; F655-F659 HydrophobicContact CE1-CB 4.36Å; F655-F659 HydrophobicContact CE2-CB 4.02Å; F655-F659 AromaticContact CE2-CD2 3.62Å; F655-F659 HydrophobicContact CE2-CD2 3.62Å; F655-F659 HydrophobicContact CE2-CE2 4.4Å; F655-F659 HydrophobicContact CE2-CG 4.06Å; F655-F659 HydrophobicContact CG-CD2 4.27Å; F655-F659 HydrophobicContact CZ-CB 4Å; F655-F659 HydrophobicContact CZ-CD2 4.45Å; F655-F659 WeakPolarHBondContact O-CB 3.42Å; F655-F659 PolarHBondContact O-N 3.38Å; F659-E662 PolarHBondContact O-N 3.41Å; F659-E662 VanDerWaalsContact O-N 3.12Å; F659-L663 HydrophobicContact CB-CB 3.92Å; F659-L663 HydrophobicContact CB-CD2 4.17Å; F659-L663 HydrophobicContact CD1-CB 4.47Å; F659-L663 HydrophobicContact CD1-CD2 4.27Å; F659-L663 HydrophobicContact CG-CD2 4.29Å; F659-L663 PolarHBondContact O-N 3.5Å
660	G	78.8	Confident	91.5	Very high	32 Å²	32	69.6 Å²	69.6	33%	0.33	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	28.7	-135.4	167.1	0	0	0	0	0	117.3	E656 E662	E656-G660 VanDerWaalsContact O-CA 3.22Å; E656-G660 WeakPolarHBondContact O-CA 2.95Å; E656-G660 PolarHBondContact O-N 2.93Å; E656-G660 VanDerWaalsContact O-N 3.12Å; G660-E662 PolarHBondContact O-N 2.91Å
661	E	76.8	Confident	91.4	Very high	182 Å²	182	70.7 Å²	70.7	85%	0.85	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	5	171.5	-63.9	-170.6	161.9	0	0	112.8
662	E	85.5	Confident	91.2	Very high	170 Å²	170	69.7 Å²	69.7	79%	0.794	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-35.2	-176.4	-63.5	-172.3	175.1	0	0	112.6	F659 G660 V664	F659-E662 PolarHBondContact O-N 3.41Å; F659-E662 VanDerWaalsContact O-N 3.12Å; G660-E662 PolarHBondContact O-N 2.91Å; E662-V664 PolarHBondContact O-N 2.86Å
663	L	93.1	Very high	91.1	Very high	32 Å²	32	71 Å²	71	17%	0.168	36%	0.361	C	S	.	.			trans	-80.1	113.2	178.8	-173.2	67.3	0	0	0	110.2	M647 F655 F659 P685 V686 F694	M647-L663 HydrophobicContact CE-CD2 3.7Å; M647-L663 HydrophobicContact SD-CD2 4.06Å; F655-L663 HydrophobicContact CE2-CD2 4.36Å; F655-L663 HydrophobicContact CZ-CD2 4.11Å; F659-L663 HydrophobicContact CB-CB 3.92Å; F659-L663 HydrophobicContact CB-CD2 4.17Å; F659-L663 HydrophobicContact CD1-CB 4.47Å; F659-L663 HydrophobicContact CD1-CD2 4.27Å; F659-L663 HydrophobicContact CG-CD2 4.29Å; F659-L663 PolarHBondContact O-N 3.5Å; L663-P685 CarbonylContact O-C 3.5Å; L663-P685 WeakPolarHBondContact O-CA 3.49Å; L663-V686 HydrophobicContact CB-CB 4.46Å; L663-V686 HydrophobicContact CD2-CB 3.98Å; L663-V686 HydrophobicContact CD2-CG1 4.14Å; L663-V686 HydrophobicContact CD2-CG2 4.3Å; L663-V686 HydrophobicContact CG-CB 4.04Å; L663-V686 HydrophobicContact CG-CG2 4.02Å; L663-V686 PolarHBondContact O-N 3.27Å; L663-F694 HydrophobicContact CD1-CE1 4.2Å; L663-F694 HydrophobicContact CD1-CE2 4.37Å; L663-F694 HydrophobicContact CD1-CZ 3.75Å; L663-F694 HydrophobicContact CD2-CD1 4.38Å; L663-F694 HydrophobicContact CD2-CE1 4.05Å; L663-F694 HydrophobicContact CD2-CZ 4.26Å; L663-F694 HydrophobicContact CG-CE1 4.48Å; L663-F694 HydrophobicContact CG-CE2 4.5Å; L663-F694 HydrophobicContact CG-CZ 4.19Å
664	V	95.6	Very high	91.1	Very high	34 Å²	34	68.3 Å²	68.3	21%	0.206	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-111	168.1	175.8	-62.3	0	0	0	0	111.1	E662 T666 V684 F694	E662-V664 PolarHBondContact O-N 2.86Å; V664-T666 HydrophobicContact CG2-CG2 4.04Å; V664-T666 PolarHBondContact O-N 2.84Å; V664-V684 WeakPolarHBondContact CA-O 3.48Å; V664-V684 WeakPolarHBondContact CB-O 3.39Å; V664-F694 WeakPolarHBondContact O-CE2 2.95Å
665	Y	96.4	Very high	91.2	Very high	20 Å²	20	69.8 Å²	69.8	8%	0.078	35%	0.354	C	S	.	.	S	Bend	trans	-73.7	60	179.7	-78.7	-92.5	0	0	0	112.9	L677 I678 G681 V684 V686 D690 F694 L697	Y665-L677 HydrophobicContact CD1-CB 4.48Å; Y665-L677 WeakPolarHBondContact O-CB 3.5Å; Y665-L677 PolarHBondContact O-N 2.92Å; Y665-I678 HydrophobicContact CD1-CD1 4Å; Y665-I678 HydrophobicContact CD1-CG1 4.35Å; Y665-I678 HydrophobicContact CD1-CG2 4.09Å; Y665-I678 HydrophobicContact CD2-CD1 3.77Å; Y665-I678 HydrophobicContact CE1-CD1 4.47Å; Y665-I678 HydrophobicContact CE2-CD1 4.27Å; Y665-I678 HydrophobicContact CG-CD1 3.61Å; Y665-I678 HydrophobicContact CG-CG1 4Å; Y665-G681 PolarHBondContact N-O 3.16Å; Y665-G681 VanDerWaalsContact N-O 3.14Å; Y665-V684 HydrophobicContact CD2-CB 3.92Å; Y665-V684 HydrophobicContact CD2-CG1 3.68Å; Y665-V684 WeakPolarHBondContact CD2-O 3.47Å; Y665-V684 HydrophobicContact CE2-CG1 3.83Å; Y665-V684 PolarHBondContact N-O 3.42Å; Y665-V684 VanDerWaalsContact N-O 3.14Å; Y665-V686 HydrophobicContact CD1-CG2 4.41Å; Y665-V686 HydrophobicContact CD2-CG2 3.72Å; Y665-V686 HydrophobicContact CE1-CG2 4.44Å; Y665-V686 HydrophobicContact CE2-CB 4.4Å; Y665-V686 HydrophobicContact CE2-CG2 3.76Å; Y665-V686 HydrophobicContact CG-CG2 4.06Å; Y665-D690 WeakPolarHBondContact OH-CB 3.5Å; Y665-F694 HydrophobicContact CD1-CD2 4.08Å; Y665-F694 HydrophobicContact CE1-CB 4.26Å; Y665-F694 HydrophobicContact CE1-CD2 4.4Å; Y665-L697 HydrophobicContact CD1-CD1 4.23Å; Y665-L697 HydrophobicContact CE1-CD1 4.24Å
666	T	96.4	Very high	91.3	Very high	23 Å²	23	72.6 Å²	72.6	14%	0.141	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	160.3	175	65.8	0	0	0	0	111.1	V664 M674 M675 D676 S682	V664-T666 HydrophobicContact CG2-CG2 4.04Å; V664-T666 PolarHBondContact O-N 2.84Å; T666-M674 WeakPolarHBondContact OG1-CE 3.26Å; T666-M675 CarbonylContact C-O 3.58Å; T666-M675 WeakPolarHBondContact CA-O 3.32Å; T666-M675 WeakPolarHBondContact CB-O 3.19Å; T666-D676 WeakPolarHBondContact CG2-OD1 3.23Å; T666-S682 VanDerWaalsContact CG2-CA 3.46Å
667	T	95.4	Very high	91.5	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.031	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.7	172.2	-167	0	0	0	0	110.2	M675 L677 V701 R702	T667-M675 PolarHBondContact N-O 3.2Å; T667-M675 PolarHBondContact O-N 3.3Å; T667-L677 HydrophobicContact CG2-CD2 3.64Å; T667-L677 HydrophobicContact CG2-CG 4.5Å; T667-V701 HydrophobicContact CG2-CG1 4.02Å; T667-R702 HydrophobicContact CG2-CG 4.35Å
668	P	94	Very high	91.7	Very high	68 Å²	68	62.5 Å²	62.5	44%	0.442	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.9	169.4	28.2	-32	0	0	0	110.2	M674 R702	P668-M674 HydrophobicContact CB-SD 3.72Å; P668-M674 HydrophobicContact CG-SD 4.32Å; P668-R702 WeakPolarHBondContact O-CD 3.22Å; P668-R702 PolarHBondContact O-NE 3.41Å
669	L	94.2	Very high	92	Very high	18 Å²	18	61.4 Å²	61.4	9%	0.094	34%	0.34	C	S	.	.			trans	-77.4	173.4	168.6	-56.9	-174	0	0	0	110.6	P585 D671 G672 H673 M675 V701 R702 E705	P585-L669 HydrophobicContact CB-CD1 4.46Å; P585-L669 HydrophobicContact CG-CB 4.34Å; P585-L669 HydrophobicContact CG-CD1 4.38Å; L669-D671 WeakPolarHBondContact CB-OD1 3.27Å; L669-D671 PolarHBondContact O-N 2.75Å; L669-G672 WeakPolarHBondContact O-CA 3.2Å; L669-G672 PolarHBondContact O-N 2.94Å; L669-H673 PolarHBondContact N-O 3.14Å; L669-M675 HydrophobicContact CD1-CB 4.35Å; L669-M675 HydrophobicContact CD1-SD 4.24Å; L669-M675 HydrophobicContact CD2-CB 4.05Å; L669-M675 HydrophobicContact CD2-SD 4.06Å; L669-M675 HydrophobicContact CG-CB 4.08Å; L669-V701 HydrophobicContact CD2-CG1 3.86Å; L669-R702 VanDerWaalsContact CA-NH1 3.31Å; L669-E705 HydrophobicContact CD2-CB 4.21Å; L669-E705 WeakPolarHBondContact CD2-OE2 3.3Å
670	T	91.1	Very high	92.2	Very high	13 Å²	13	61.6 Å²	61.6	8%	0.08	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.3	-174	-54.1	0	0	0	0	113.1	T567 R568 V582 G672 R702 E705	T567-T670 HydrophobicContact CG2-CG2 3.8Å; R568-T670 VanDerWaalsContact O-CG2 3.26Å; R568-T670 WeakPolarHBondContact O-CG2 3.5Å; V582-T670 HydrophobicContact CG2-CG2 3.54Å; T670-G672 VanDerWaalsContact C-N 3.3Å; T670-R702 PolarHBondContact OG1-NH1 2.85Å; T670-R702 PolarHBondContact OG1-NH2 3.29Å; T670-E705 VanDerWaalsContact CB-OE1 3.3Å; T670-E705 WeakPolarHBondContact CB-OE1 3.37Å; T670-E705 PolarHBondContact N-OE2 2.85Å; T670-E705 PolarHBondContact OG1-OE1 3.03Å
671	D	90.2	Very high	92.9	Very high	44 Å²	44	60 Å²	60	24%	0.235	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	3.4	170.2	65	-5.3	0	0	0	113.4	P585 S586 L669 H673	P585-D671 HydrophobicContact CG-CB 4.28Å; S586-D671 WeakPolarHBondContact CB-OD2 3.42Å; S586-D671 PolarHBondContact N-OD2 3.19Å; S586-D671 PolarHBondContact OG-OD2 2.92Å; L669-D671 WeakPolarHBondContact CB-OD1 3.27Å; L669-D671 PolarHBondContact O-N 2.75Å; D671-H673 VanDerWaalsContact C-N 3.34Å; D671-H673 VanDerWaalsContact OD1-CB 3.3Å; D671-H673 WeakPolarHBondContact OD1-CB 3.11Å; D671-H673 PolarHBondContact OD1-N 3.24Å
672	G	90.2	Very high	93.7	Very high	54 Å²	54	54.2 Å²	54.2	56%	0.557	31%	0.314	S	S	*	.	S	Bend	trans	83.4	-0	-178.3	0	0	0	0	0	114.9	L669 T670 M674	L669-G672 WeakPolarHBondContact O-CA 3.2Å; L669-G672 PolarHBondContact O-N 2.94Å; T670-G672 VanDerWaalsContact C-N 3.3Å; G672-M674 PolarHBondContact O-N 3.06Å
673	H	92.6	Very high	94.1	Very high	114 Å²	114	52.8 Å²	52.8	53%	0.528	31%	0.312	S	S	.	.			trans	-70.3	130.2	176.7	-175.9	71.7	0	0	0	111.2	L669 D671	L669-H673 PolarHBondContact N-O 3.14Å; D671-H673 VanDerWaalsContact C-N 3.34Å; D671-H673 VanDerWaalsContact OD1-CB 3.3Å; D671-H673 WeakPolarHBondContact OD1-CB 3.11Å; D671-H673 PolarHBondContact OD1-N 3.24Å
674	M	94.2	Very high	94.2	Very high	104 Å²	104	53.9 Å²	53.9	51%	0.512	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.6	176.3	-71.2	-61.4	-65.4	0	0	110.9	T666 P668 G672	T666-M674 WeakPolarHBondContact OG1-CE 3.26Å; P668-M674 HydrophobicContact CB-SD 3.72Å; P668-M674 HydrophobicContact CG-SD 4.32Å; G672-M674 PolarHBondContact O-N 3.06Å
675	M	94.3	Very high	94.1	Very high	77 Å²	77	55 Å²	55	38%	0.379	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.4	-179.8	-175.5	170	-178.8	0	0	111.9	T666 T667 L669 V701	T666-M675 CarbonylContact C-O 3.58Å; T666-M675 WeakPolarHBondContact CA-O 3.32Å; T666-M675 WeakPolarHBondContact CB-O 3.19Å; T667-M675 PolarHBondContact N-O 3.2Å; T667-M675 PolarHBondContact O-N 3.3Å; L669-M675 HydrophobicContact CD1-CB 4.35Å; L669-M675 HydrophobicContact CD1-SD 4.24Å; L669-M675 HydrophobicContact CD2-CB 4.05Å; L669-M675 HydrophobicContact CD2-SD 4.06Å; L669-M675 HydrophobicContact CG-CB 4.08Å; M675-V701 HydrophobicContact CE-CG1 4.35Å; M675-V701 HydrophobicContact CG-CG1 4.44Å; M675-V701 HydrophobicContact SD-CG1 3.5Å; M675-V701 WeakPolarHBondContact SD-CG1 2.98Å
676	D	96.6	Very high	94.1	Very high	63 Å²	63	54.1 Å²	54.1	34%	0.337	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123.6	169.5	-90.8	2.7	0	0	0	110.5	T666 I678 G680 G681 S682	T666-D676 WeakPolarHBondContact CG2-OD1 3.23Å; D676-I678 WeakPolarHBondContact CB-O 3.38Å; D676-G680 WeakPolarHBondContact OD2-CA 3.33Å; D676-G680 PolarHBondContact OD2-N 2.92Å; D676-G681 PolarHBondContact OD2-N 2.93Å; D676-S682 WeakPolarHBondContact OD1-CB 3.29Å; D676-S682 PolarHBondContact OD1-N 3.01Å; D676-S682 PolarHBondContact OD1-OG 2.86Å
677	L	96.8	Very high	93.9	Very high	18 Å²	18	61.2 Å²	61.2	9%	0.094	35%	0.348	C	S	.	.	S	Bend	trans	-79	-27	177.6	-61.6	174.6	0	0	0	112.6	Y665 T667 F694 L697 V698 V701	Y665-L677 HydrophobicContact CD1-CB 4.48Å; Y665-L677 WeakPolarHBondContact O-CB 3.5Å; Y665-L677 PolarHBondContact O-N 2.92Å; T667-L677 HydrophobicContact CG2-CD2 3.64Å; T667-L677 HydrophobicContact CG2-CG 4.5Å; L677-F694 HydrophobicContact CD1-CD2 3.59Å; L677-F694 HydrophobicContact CD1-CE2 3.37Å; L677-F694 HydrophobicContact CD1-CZ 4.24Å; L677-L697 HydrophobicContact CB-CB 4.24Å; L677-L697 HydrophobicContact CB-CD1 4.39Å; L677-L697 HydrophobicContact CD1-CB 4.38Å; L677-L697 HydrophobicContact CD2-CB 4.42Å; L677-V698 HydrophobicContact CD1-CG2 3.53Å; L677-V698 HydrophobicContact CD2-CG2 4.26Å; L677-V701 HydrophobicContact CD2-CB 4.16Å; L677-V701 HydrophobicContact CD2-CG2 3.85Å
678	I	95.4	Very high	93.8	Very high	53 Å²	53	63.2 Å²	63.2	27%	0.272	36%	0.356	S	S	.	.	S	Bend	trans	-133.4	159	172.6	67.6	-178	0	0	0	108.2	Y665 D676 G680 G681 V684 L697	Y665-I678 HydrophobicContact CD1-CD1 4Å; Y665-I678 HydrophobicContact CD1-CG1 4.35Å; Y665-I678 HydrophobicContact CD1-CG2 4.09Å; Y665-I678 HydrophobicContact CD2-CD1 3.77Å; Y665-I678 HydrophobicContact CE1-CD1 4.47Å; Y665-I678 HydrophobicContact CE2-CD1 4.27Å; Y665-I678 HydrophobicContact CG-CD1 3.61Å; Y665-I678 HydrophobicContact CG-CG1 4Å; D676-I678 WeakPolarHBondContact CB-O 3.38Å; I678-G680 PolarHBondContact O-N 3.1Å; I678-G680 VanDerWaalsContact O-N 3.12Å; I678-G681 WeakPolarHBondContact O-CA 3.43Å; I678-G681 PolarHBondContact O-N 3.13Å; I678-V684 HydrophobicContact CD1-CB 4.26Å; I678-V684 HydrophobicContact CD1-CG1 4.23Å; I678-V684 HydrophobicContact CD1-CG2 4.31Å; I678-L697 HydrophobicContact CG2-CD1 3.82Å
679	P	95.4	Very high	93.8	Very high	135 Å²	135	65.5 Å²	65.5	88%	0.877	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	118.8	178.1	-25.9	35.3	0	0	0	112.6	G681	P679-G681 VanDerWaalsContact C-N 3.29Å
680	G	94.1	Very high	93.8	Very high	34 Å²	34	67.7 Å²	67.7	35%	0.351	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	20.3	-177.4	0	0	0	0	0	114	D676 I678 S682 N683	D676-G680 WeakPolarHBondContact OD2-CA 3.33Å; D676-G680 PolarHBondContact OD2-N 2.92Å; I678-G680 PolarHBondContact O-N 3.1Å; I678-G680 VanDerWaalsContact O-N 3.12Å; G680-S682 PolarHBondContact O-N 3.04Å; G680-S682 VanDerWaalsContact O-N 3.17Å; G680-N683 PolarHBondContact O-N 2.75Å
681	G	93.3	Very high	94	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-57.9	-28.4	-172.8	0	0	0	0	0	114.5	Y665 D676 I678 P679 N683 V684	Y665-G681 PolarHBondContact N-O 3.16Å; Y665-G681 VanDerWaalsContact N-O 3.14Å; D676-G681 PolarHBondContact OD2-N 2.93Å; I678-G681 WeakPolarHBondContact O-CA 3.43Å; I678-G681 PolarHBondContact O-N 3.13Å; P679-G681 VanDerWaalsContact C-N 3.29Å; G681-N683 PolarHBondContact O-N 2.99Å; G681-V684 PolarHBondContact O-N 3.38Å
682	S	93.8	Very high	94.2	Very high	59 Å²	59	72.2 Å²	72.2	41%	0.413	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-51.9	-22.3	170.1	45	0	0	0	0	115.6	T666 D676 G680	T666-S682 VanDerWaalsContact CG2-CA 3.46Å; D676-S682 WeakPolarHBondContact OD1-CB 3.29Å; D676-S682 PolarHBondContact OD1-N 3.01Å; D676-S682 PolarHBondContact OD1-OG 2.86Å; G680-S682 PolarHBondContact O-N 3.04Å; G680-S682 VanDerWaalsContact O-N 3.17Å
683	N	93.2	Very high	94.5	Very high	140 Å²	140	73.6 Å²	73.6	75%	0.749	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-108	5.9	178.5	-58.5	-73.6	0	0	0	113.6	G680 G681	G680-N683 PolarHBondContact O-N 2.75Å; G681-N683 PolarHBondContact O-N 2.99Å
684	V	94.8	Very high	94.7	Very high	55 Å²	55	68.6 Å²	68.6	33%	0.333	36%	0.357	S	S	.	.			trans	-113.3	112.5	-175.2	-175.3	0	0	0	0	108.8	V664 Y665 I678 G681	V664-V684 WeakPolarHBondContact CA-O 3.48Å; V664-V684 WeakPolarHBondContact CB-O 3.39Å; Y665-V684 HydrophobicContact CD2-CB 3.92Å; Y665-V684 HydrophobicContact CD2-CG1 3.68Å; Y665-V684 WeakPolarHBondContact CD2-O 3.47Å; Y665-V684 HydrophobicContact CE2-CG1 3.83Å; Y665-V684 PolarHBondContact N-O 3.42Å; Y665-V684 VanDerWaalsContact N-O 3.14Å; I678-V684 HydrophobicContact CD1-CB 4.26Å; I678-V684 HydrophobicContact CD1-CG1 4.23Å; I678-V684 HydrophobicContact CD1-CG2 4.31Å; G681-V684 PolarHBondContact O-N 3.38Å
685	P	94.3	Very high	94.9	Very high	58 Å²	58	63.9 Å²	63.9	38%	0.377	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-73.1	143.3	176.5	29.5	-33.8	0	0	0	111.2	L663	L663-P685 CarbonylContact O-C 3.5Å; L663-P685 WeakPolarHBondContact O-CA 3.49Å
686	V	94.8	Very high	95	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.012	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-86.2	119.5	178.5	-179.9	0	0	0	0	109.1	M647 F655 L663 Y665 F694	M647-V686 HydrophobicContact CE-CG1 4.32Å; F655-V686 HydrophobicContact CZ-CG1 4.38Å; L663-V686 HydrophobicContact CB-CB 4.46Å; L663-V686 HydrophobicContact CD2-CB 3.98Å; L663-V686 HydrophobicContact CD2-CG1 4.14Å; L663-V686 HydrophobicContact CD2-CG2 4.3Å; L663-V686 HydrophobicContact CG-CB 4.04Å; L663-V686 HydrophobicContact CG-CG2 4.02Å; L663-V686 PolarHBondContact O-N 3.27Å; Y665-V686 HydrophobicContact CD1-CG2 4.41Å; Y665-V686 HydrophobicContact CD2-CG2 3.72Å; Y665-V686 HydrophobicContact CE1-CG2 4.44Å; Y665-V686 HydrophobicContact CE2-CB 4.4Å; Y665-V686 HydrophobicContact CE2-CG2 3.76Å; Y665-V686 HydrophobicContact CG-CG2 4.06Å; V686-F694 HydrophobicContact CG1-CB 3.77Å; V686-F694 HydrophobicContact CG1-CD2 4.32Å; V686-F694 HydrophobicContact CG1-CG 4Å; V686-F694 HydrophobicContact CG2-CB 4.35Å; V686-F694 HydrophobicContact CG2-CD2 3.45Å; V686-F694 VanDerWaalsContact CG2-CD2 3.45Å; V686-F694 HydrophobicContact CG2-CE2 3.92Å; V686-F694 HydrophobicContact CG2-CG 4Å
687	R	93.1	Very high	95.1	Very high	171 Å²	171	63.7 Å²	63.7	65%	0.645	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-87.8	160.1	176.1	-59.5	-179.7	172.9	-176.8	-2.3	111.2	E689 D690 R691	R687-E689 PolarHBondContact O-N 2.94Å; R687-D690 PolarHBondContact O-N 2.9Å; R687-R691 PolarHBondContact O-N 2.81Å
688	Y	94	Very high	95.1	Very high	48 Å²	48	62.9 Å²	62.9	19%	0.188	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-56.1	-37.3	178.9	175.8	-104.9	0	0	0	112.7	M650 K652 F655 D690 R691	M650-Y688 WeakPolarHBondContact O-CE2 3.41Å; M650-Y688 PolarHBondContact O-OH 3.23Å; K652-Y688 HydrophobicContact CB-CD1 3.82Å; K652-Y688 HydrophobicContact CB-CD2 4.2Å; K652-Y688 HydrophobicContact CB-CE1 3.8Å; K652-Y688 HydrophobicContact CB-CE2 4.19Å; K652-Y688 HydrophobicContact CB-CG 4Å; K652-Y688 HydrophobicContact CD-CD1 3.9Å; K652-Y688 HydrophobicContact CD-CE1 4.44Å; K652-Y688 HydrophobicContact CD-CG 4.36Å; K652-Y688 HydrophobicContact CG-CD1 3.8Å; K652-Y688 HydrophobicContact CG-CD2 4.42Å; K652-Y688 HydrophobicContact CG-CE1 4.3Å; K652-Y688 HydrophobicContact CG-CG 3.85Å; F655-Y688 HydrophobicContact CB-CD2 3.61Å; F655-Y688 HydrophobicContact CB-CE2 4.22Å; F655-Y688 AromaticContact CD1-CD2 3.98Å; F655-Y688 HydrophobicContact CD1-CD2 3.98Å; F655-Y688 HydrophobicContact CD1-CG 4.37Å; F655-Y688 HydrophobicContact CD2-CD2 4.41Å; F655-Y688 AromaticContact CG-CD2 3.72Å; F655-Y688 HydrophobicContact CG-CD2 3.72Å; Y688-D690 VanDerWaalsContact C-N 3.27Å; Y688-D690 PolarHBondContact O-N 2.7Å; Y688-R691 VanDerWaalsContact CE1-NH1 3.32Å; Y688-R691 VanDerWaalsContact CE2-NH1 3.31Å; Y688-R691 WeakPolarHBondContact O-CD 3.42Å; Y688-R691 VanDerWaalsContact O-CG 3.23Å; Y688-R691 WeakPolarHBondContact O-CG 3.48Å; Y688-R691 PolarHBondContact O-N 3.5Å; Y688-R691 PolarHBondContact O-NH1 3.37Å; Y688-R691 PolarHBondContact OH-NH2 3.47Å; Y688-R691 VanDerWaalsContact OH-NH2 3.11Å
689	E	94.3	Very high	95.2	Very high	115 Å²	115	62.8 Å²	62.8	54%	0.537	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-66.7	-30.1	178.4	-62.1	75.1	-162	0	0	112.1	K652 R687	K652-E689 IonicContact NZ-OE1 2.74Å; K652-E689 PolarHBondContact NZ-OE1 3.09Å; R687-E689 PolarHBondContact O-N 2.94Å
690	D	93.7	Very high	95.2	Very high	64 Å²	64	61.3 Å²	61.3	34%	0.342	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-92.3	-6.6	-176.6	-56.9	-48.8	0	0	0	113.5	Y665 R687 Y688 K692 E693 F694	Y665-D690 WeakPolarHBondContact OH-CB 3.5Å; R687-D690 PolarHBondContact O-N 2.9Å; Y688-D690 VanDerWaalsContact C-N 3.27Å; Y688-D690 PolarHBondContact O-N 2.7Å; D690-K692 PolarHBondContact O-N 2.9Å; D690-K692 VanDerWaalsContact O-N 3.08Å; D690-E693 PolarHBondContact O-N 3.21Å; D690-F694 PolarHBondContact O-N 2.83Å
691	R	94.5	Very high	95.3	Very high	30 Å²	30	60.9 Å²	60.9	11%	0.113	29%	0.29	C	S	.	.	H	α-helix	trans	-52.8	-37.1	-173	77.1	-176.9	-175.2	-80.8	8.6	114	M647 E648 F655 R687 Y688 F694 I695	M647-R691 HydrophobicContact CE-CB 3.48Å; M647-R691 VanDerWaalsContact CE-CB 3.48Å; M647-R691 HydrophobicContact CG-CB 4.48Å; M647-R691 WeakPolarHBondContact O-CD 3.48Å; M647-R691 PolarHBondContact O-NE 3.09Å; E648-R691 PolarHBondContact O-NE 3.28Å; E648-R691 PolarHBondContact O-NH2 2.91Å; F655-R691 HydrophobicContact CE2-CB 4.26Å; F655-R691 HydrophobicContact CZ-CB 4.42Å; R687-R691 PolarHBondContact O-N 2.81Å; Y688-R691 VanDerWaalsContact CE1-NH1 3.32Å; Y688-R691 VanDerWaalsContact CE2-NH1 3.31Å; Y688-R691 WeakPolarHBondContact O-CD 3.42Å; Y688-R691 VanDerWaalsContact O-CG 3.23Å; Y688-R691 WeakPolarHBondContact O-CG 3.48Å; Y688-R691 PolarHBondContact O-N 3.5Å; Y688-R691 PolarHBondContact O-NH1 3.37Å; Y688-R691 PolarHBondContact OH-NH2 3.47Å; Y688-R691 VanDerWaalsContact OH-NH2 3.11Å; R691-F694 PolarHBondContact O-N 2.87Å; R691-I695 WeakPolarHBondContact O-CB 3.49Å; R691-I695 WeakPolarHBondContact O-CD1 3.27Å; R691-I695 WeakPolarHBondContact O-CG1 3.27Å; R691-I695 PolarHBondContact O-N 3.3Å
692	K	95.8	Very high	95.5	Very high	123 Å²	123	61.1 Å²	61.1	54%	0.535	29%	0.291	S	S	.	.	H	α-helix	trans	-68.1	-38.2	-179.6	-68.1	-168.4	175.2	-164.3	0	111.7	D690 R696	D690-K692 PolarHBondContact O-N 2.9Å; D690-K692 VanDerWaalsContact O-N 3.08Å; K692-R696 WeakPolarHBondContact O-CB 3.25Å; K692-R696 PolarHBondContact O-N 2.87Å
693	E	96.3	Very high	95.5	Very high	82 Å²	82	59.7 Å²	59.7	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-71.4	-41.1	175.5	179	59.3	-171.1	0	0	110.9	D690 I695 R696 L697	D690-E693 PolarHBondContact O-N 3.21Å; E693-I695 PolarHBondContact O-N 2.95Å; E693-R696 PolarHBondContact O-N 3.35Å; E693-R696 IonicContact OE1-CZ 3.15Å; E693-R696 IonicContact OE1-NE 2.72Å; E693-R696 IonicContact OE1-NH2 2.73Å; E693-R696 PolarHBondContact OE1-NH2 3.1Å; E693-R696 IonicContact OE2-CZ 3.59Å; E693-R696 IonicContact OE2-NE 3.13Å; E693-R696 PolarHBondContact OE2-NE 3.05Å; E693-R696 IonicContact OE2-NH2 3.45Å; E693-L697 HydrophobicContact CG-CD1 4.22Å; E693-L697 VanDerWaalsContact O-CG 3.32Å; E693-L697 WeakPolarHBondContact O-CG 3.3Å; E693-L697 PolarHBondContact O-N 3.31Å
694	F	96.9	Very high	95.5	Very high	9 Å²	9	57.7 Å²	57.7	4%	0.039	27%	0.265	C	S	.	.	H	α-helix	trans	-55.8	-51.1	171.7	173	-94	0	0	0	111.7	L644 M647 L663 V664 Y665 L677 V686 D690 R691 R696 L697 V698	L644-F694 HydrophobicContact CD2-CE1 4.37Å; M647-F694 HydrophobicContact CE-CB 4.39Å; M647-F694 HydrophobicContact CE-CD1 3.4Å; M647-F694 VanDerWaalsContact CE-CD1 3.4Å; M647-F694 HydrophobicContact CE-CE1 4Å; M647-F694 HydrophobicContact CE-CG 4.19Å; M647-F694 HydrophobicContact SD-CD1 4.16Å; M647-F694 HydrophobicContact SD-CE1 4.26Å; L663-F694 HydrophobicContact CD1-CE1 4.2Å; L663-F694 HydrophobicContact CD1-CE2 4.37Å; L663-F694 HydrophobicContact CD1-CZ 3.75Å; L663-F694 HydrophobicContact CD2-CD1 4.38Å; L663-F694 HydrophobicContact CD2-CE1 4.05Å; L663-F694 HydrophobicContact CD2-CZ 4.26Å; L663-F694 HydrophobicContact CG-CE1 4.48Å; L663-F694 HydrophobicContact CG-CE2 4.5Å; L663-F694 HydrophobicContact CG-CZ 4.19Å; V664-F694 WeakPolarHBondContact O-CE2 2.95Å; Y665-F694 HydrophobicContact CD1-CD2 4.08Å; Y665-F694 HydrophobicContact CE1-CB 4.26Å; Y665-F694 HydrophobicContact CE1-CD2 4.4Å; L677-F694 HydrophobicContact CD1-CD2 3.59Å; L677-F694 HydrophobicContact CD1-CE2 3.37Å; L677-F694 HydrophobicContact CD1-CZ 4.24Å; V686-F694 HydrophobicContact CG1-CB 3.77Å; V686-F694 HydrophobicContact CG1-CD2 4.32Å; V686-F694 HydrophobicContact CG1-CG 4Å; V686-F694 HydrophobicContact CG2-CB 4.35Å; V686-F694 HydrophobicContact CG2-CD2 3.45Å; V686-F694 VanDerWaalsContact CG2-CD2 3.45Å; V686-F694 HydrophobicContact CG2-CE2 3.92Å; V686-F694 HydrophobicContact CG2-CG 4Å; D690-F694 PolarHBondContact O-N 2.83Å; R691-F694 PolarHBondContact O-N 2.87Å; F694-R696 VanDerWaalsContact C-N 3.33Å; F694-R696 PolarHBondContact O-N 2.87Å; F694-L697 PolarHBondContact O-N 2.84Å; F694-L697 VanDerWaalsContact O-N 3.14Å; F694-V698 HydrophobicContact CD1-CG2 4.14Å; F694-V698 HydrophobicContact CD2-CG2 4.35Å; F694-V698 HydrophobicContact CE1-CG2 3.69Å; F694-V698 HydrophobicContact CE2-CG2 3.92Å; F694-V698 HydrophobicContact CG-CG2 4.46Å; F694-V698 HydrophobicContact CZ-CG2 3.57Å; F694-V698 WeakPolarHBondContact O-CG2 3.48Å; F694-V698 PolarHBondContact O-N 3.28Å
695	I	97.2	Very high	95.5	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-54.4	-50.6	176.5	-71.5	162	0	0	0	109.9	L644 M647 E648 R691 E693 L697 V698 Q699	L644-I695 HydrophobicContact CB-CG1 4.34Å; L644-I695 HydrophobicContact CB-CG2 4.27Å; L644-I695 HydrophobicContact CD1-CG2 4.27Å; L644-I695 HydrophobicContact CD2-CG1 4.17Å; M647-I695 HydrophobicContact CB-CD1 4.35Å; M647-I695 HydrophobicContact CE-CG1 4.33Å; M647-I695 HydrophobicContact CG-CD1 4.15Å; M647-I695 HydrophobicContact SD-CG1 4.36Å; E648-I695 HydrophobicContact CB-CD1 3.89Å; R691-I695 WeakPolarHBondContact O-CB 3.49Å; R691-I695 WeakPolarHBondContact O-CD1 3.27Å; R691-I695 WeakPolarHBondContact O-CG1 3.27Å; R691-I695 PolarHBondContact O-N 3.3Å; E693-I695 PolarHBondContact O-N 2.95Å; I695-L697 VanDerWaalsContact C-N 3.3Å; I695-L697 PolarHBondContact O-N 3Å; I695-V698 PolarHBondContact O-N 3.31Å; I695-Q699 HydrophobicContact CG2-CG 4.22Å; I695-Q699 WeakPolarHBondContact O-CB 3.36Å; I695-Q699 WeakPolarHBondContact O-CG 3.42Å; I695-Q699 PolarHBondContact O-N 2.94Å
696	R	97.5	Very high	95.6	Very high	113 Å²	113	54.1 Å²	54.1	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-40	179.6	-166.7	-164.2	67.5	69.8	1.2	112.5	K692 E693 F694 K700	K692-R696 WeakPolarHBondContact O-CB 3.25Å; K692-R696 PolarHBondContact O-N 2.87Å; E693-R696 PolarHBondContact O-N 3.35Å; E693-R696 IonicContact OE1-CZ 3.15Å; E693-R696 IonicContact OE1-NE 2.72Å; E693-R696 IonicContact OE1-NH2 2.73Å; E693-R696 PolarHBondContact OE1-NH2 3.1Å; E693-R696 IonicContact OE2-CZ 3.59Å; E693-R696 IonicContact OE2-NE 3.13Å; E693-R696 PolarHBondContact OE2-NE 3.05Å; E693-R696 IonicContact OE2-NH2 3.45Å; F694-R696 VanDerWaalsContact C-N 3.33Å; F694-R696 PolarHBondContact O-N 2.87Å; R696-K700 WeakPolarHBondContact O-CB 3.42Å; R696-K700 PolarHBondContact O-N 3.46Å; R696-K700 VanDerWaalsContact O-N 3.07Å
697	L	97.8	Very high	95.6	Very high	22 Å²	22	62.1 Å²	62.1	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-45.3	178.1	-71.2	172.2	0	0	0	111.9	Y665 L677 I678 E693 F694 I695 K700 V701	Y665-L697 HydrophobicContact CD1-CD1 4.23Å; Y665-L697 HydrophobicContact CE1-CD1 4.24Å; L677-L697 HydrophobicContact CB-CB 4.24Å; L677-L697 HydrophobicContact CB-CD1 4.39Å; L677-L697 HydrophobicContact CD1-CB 4.38Å; L677-L697 HydrophobicContact CD2-CB 4.42Å; I678-L697 HydrophobicContact CG2-CD1 3.82Å; E693-L697 HydrophobicContact CG-CD1 4.22Å; E693-L697 VanDerWaalsContact O-CG 3.32Å; E693-L697 WeakPolarHBondContact O-CG 3.3Å; E693-L697 PolarHBondContact O-N 3.31Å; F694-L697 PolarHBondContact O-N 2.84Å; F694-L697 VanDerWaalsContact O-N 3.14Å; I695-L697 VanDerWaalsContact C-N 3.3Å; I695-L697 PolarHBondContact O-N 3Å; L697-K700 PolarHBondContact O-N 2.78Å; L697-V701 WeakPolarHBondContact O-CG2 3.49Å; L697-V701 PolarHBondContact O-N 2.91Å
698	V	97.7	Very high	95.8	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-50.5	174.7	174.4	0	0	0	0	110.2	L640 L644 L677 F694 I695 K700 V701 R702	L640-V698 HydrophobicContact CD1-CG1 4.41Å; L640-V698 HydrophobicContact CD2-CG1 4.22Å; L644-V698 HydrophobicContact CD1-CB 4.13Å; L644-V698 HydrophobicContact CD1-CG1 3.8Å; L677-V698 HydrophobicContact CD1-CG2 3.53Å; L677-V698 HydrophobicContact CD2-CG2 4.26Å; F694-V698 HydrophobicContact CD1-CG2 4.14Å; F694-V698 HydrophobicContact CD2-CG2 4.35Å; F694-V698 HydrophobicContact CE1-CG2 3.69Å; F694-V698 HydrophobicContact CE2-CG2 3.92Å; F694-V698 HydrophobicContact CG-CG2 4.46Å; F694-V698 HydrophobicContact CZ-CG2 3.57Å; F694-V698 WeakPolarHBondContact O-CG2 3.48Å; F694-V698 PolarHBondContact O-N 3.28Å; I695-V698 PolarHBondContact O-N 3.31Å; V698-K700 VanDerWaalsContact C-N 3.3Å; V698-K700 PolarHBondContact O-N 3.03Å; V698-V701 PolarHBondContact O-N 3.24Å; V698-R702 HydrophobicContact CG1-CG 3.96Å; V698-R702 WeakPolarHBondContact O-CB 3.46Å; V698-R702 VanDerWaalsContact O-CG 3.23Å; V698-R702 WeakPolarHBondContact O-CG 3.4Å; V698-R702 PolarHBondContact O-N 2.9Å
699	Q	97.1	Very high	96.1	Very high	52 Å²	52	56.6 Å²	56.6	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-55.7	-46.6	179.4	-70.6	-178.8	-10.2	0	0	111.7	W629 L644 I695 L703	W629-Q699 HydrophobicContact CD2-CB 4.08Å; W629-Q699 HydrophobicContact CD2-CG 3.5Å; W629-Q699 VanDerWaalsContact CD2-CG 3.5Å; W629-Q699 HydrophobicContact CE3-CB 3.84Å; W629-Q699 HydrophobicContact CE3-CG 3.75Å; W629-Q699 HydrophobicContact CG-CG 3.92Å; W629-Q699 HydrophobicContact CH2-CG 4.2Å; W629-Q699 HydrophobicContact CZ2-CG 4Å; W629-Q699 HydrophobicContact CZ3-CB 4.16Å; W629-Q699 HydrophobicContact CZ3-CG 4.1Å; L644-Q699 HydrophobicContact CD1-CG 4.05Å; I695-Q699 HydrophobicContact CG2-CG 4.22Å; I695-Q699 WeakPolarHBondContact O-CB 3.36Å; I695-Q699 WeakPolarHBondContact O-CG 3.42Å; I695-Q699 PolarHBondContact O-N 2.94Å; Q699-L703 WeakPolarHBondContact O-CB 3.34Å; Q699-L703 WeakPolarHBondContact O-CD1 3.16Å; Q699-L703 VanDerWaalsContact O-CG 3.24Å; Q699-L703 WeakPolarHBondContact O-CG 3.26Å; Q699-L703 PolarHBondContact O-N 3.3Å
700	K	95.8	Very high	96.2	Very high	104 Å²	104	51.4 Å²	51.4	45%	0.452	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-51.8	178.5	-176.4	-177.9	176.5	-174.8	0	111.8	R696 L697 V698 R702 L703 E704	R696-K700 WeakPolarHBondContact O-CB 3.42Å; R696-K700 PolarHBondContact O-N 3.46Å; R696-K700 VanDerWaalsContact O-N 3.07Å; L697-K700 PolarHBondContact O-N 2.78Å; V698-K700 VanDerWaalsContact C-N 3.3Å; V698-K700 PolarHBondContact O-N 3.03Å; K700-R702 PolarHBondContact O-N 3.46Å; K700-L703 PolarHBondContact O-N 3.45Å; K700-E704 VanDerWaalsContact CE-OE2 3.29Å; K700-E704 WeakPolarHBondContact CE-OE2 3.34Å; K700-E704 WeakPolarHBondContact O-CB 3.35Å; K700-E704 WeakPolarHBondContact O-CG 3.4Å; K700-E704 PolarHBondContact O-N 3.05Å; K700-E704 VanDerWaalsContact O-N 3.12Å
701	V	96.1	Very high	96.4	Very high	25 Å²	25	50.7 Å²	50.7	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-47.9	-177.3	166.7	0	0	0	0	110.7	T667 L669 M675 L677 L697 V698 L703 E704 E705	T667-V701 HydrophobicContact CG2-CG1 4.02Å; L669-V701 HydrophobicContact CD2-CG1 3.86Å; M675-V701 HydrophobicContact CE-CG1 4.35Å; M675-V701 HydrophobicContact CG-CG1 4.44Å; M675-V701 HydrophobicContact SD-CG1 3.5Å; M675-V701 WeakPolarHBondContact SD-CG1 2.98Å; L677-V701 HydrophobicContact CD2-CB 4.16Å; L677-V701 HydrophobicContact CD2-CG2 3.85Å; L697-V701 WeakPolarHBondContact O-CG2 3.49Å; L697-V701 PolarHBondContact O-N 2.91Å; V698-V701 PolarHBondContact O-N 3.24Å; V701-L703 PolarHBondContact O-N 3.41Å; V701-E704 CarbonylContact O-C 3.53Å; V701-E704 PolarHBondContact O-N 2.74Å; V701-E705 WeakPolarHBondContact O-CA 3.47Å; V701-E705 WeakPolarHBondContact O-CB 3.42Å; V701-E705 PolarHBondContact O-N 3.4Å
702	R	96.1	Very high	96.6	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-32.6	-175.8	-64.5	-71.7	-73.3	141.7	-5.6	112.9	W629 F633 D637 L640 T667 P668 L669 T670 V698 K700 E705	W629-R702 HydrophobicContact CH2-CB 4.37Å; W629-R702 HydrophobicContact CZ3-CB 3.99Å; F633-R702 HydrophobicContact CE1-CB 4.29Å; F633-R702 HydrophobicContact CE2-CB 4.06Å; F633-R702 WeakPolarHBondContact CE2-O 3.4Å; F633-R702 HydrophobicContact CZ-CB 3.64Å; D637-R702 IonicContact OD2-NH2 3.72Å; D637-R702 PolarHBondContact OD2-NH2 3.31Å; L640-R702 HydrophobicContact CD2-CG 4.17Å; T667-R702 HydrophobicContact CG2-CG 4.35Å; P668-R702 WeakPolarHBondContact O-CD 3.22Å; P668-R702 PolarHBondContact O-NE 3.41Å; L669-R702 VanDerWaalsContact CA-NH1 3.31Å; T670-R702 PolarHBondContact OG1-NH1 2.85Å; T670-R702 PolarHBondContact OG1-NH2 3.29Å; V698-R702 HydrophobicContact CG1-CG 3.96Å; V698-R702 WeakPolarHBondContact O-CB 3.46Å; V698-R702 VanDerWaalsContact O-CG 3.23Å; V698-R702 WeakPolarHBondContact O-CG 3.4Å; V698-R702 PolarHBondContact O-N 2.9Å; K700-R702 PolarHBondContact O-N 3.46Å; R702-E705 IonicContact CZ-OE2 2.8Å; R702-E705 IonicContact NH1-OE1 2.68Å; R702-E705 PolarHBondContact NH1-OE1 2.65Å; R702-E705 IonicContact NH1-OE2 2.64Å; R702-E705 PolarHBondContact NH1-OE2 2.66Å; R702-E705 WeakPolarHBondContact O-CG 3.48Å
703	L	94.9	Very high	96.7	Very high	30 Å²	30	44 Å²	44	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-72.3	-29.2	172.7	-73.6	169.8	0	0	0	113.1	L617 Q621 W629 F633 Q699 K700 V701	L617-L703 HydrophobicContact CD1-CD2 3.78Å; Q621-L703 PolarHBondContact NE2-O 2.8Å; W629-L703 HydrophobicContact CB-CD1 4.34Å; W629-L703 HydrophobicContact CE3-CD1 4.07Å; W629-L703 HydrophobicContact CE3-CD2 4.27Å; W629-L703 HydrophobicContact CE3-CG 3.89Å; W629-L703 HydrophobicContact CZ3-CG 4.38Å; F633-L703 HydrophobicContact CB-CD2 4.43Å; F633-L703 HydrophobicContact CD2-CD2 3.82Å; F633-L703 HydrophobicContact CG-CD2 4.44Å; Q699-L703 WeakPolarHBondContact O-CB 3.34Å; Q699-L703 WeakPolarHBondContact O-CD1 3.16Å; Q699-L703 VanDerWaalsContact O-CG 3.24Å; Q699-L703 WeakPolarHBondContact O-CG 3.26Å; Q699-L703 PolarHBondContact O-N 3.3Å; K700-L703 PolarHBondContact O-N 3.45Å; V701-L703 PolarHBondContact O-N 3.41Å
704	E	93.8	Very high	96.7	Very high	98 Å²	98	42.5 Å²	42.5	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-101.3	-1.4	-174.8	-66.3	178.4	176.2	0	0	113.8	K700 V701 S706 R707	K700-E704 VanDerWaalsContact CE-OE2 3.29Å; K700-E704 WeakPolarHBondContact CE-OE2 3.34Å; K700-E704 WeakPolarHBondContact O-CB 3.35Å; K700-E704 WeakPolarHBondContact O-CG 3.4Å; K700-E704 PolarHBondContact O-N 3.05Å; K700-E704 VanDerWaalsContact O-N 3.12Å; V701-E704 CarbonylContact O-C 3.53Å; V701-E704 PolarHBondContact O-N 2.74Å; E704-S706 VanDerWaalsContact C-N 3.28Å; E704-S706 PolarHBondContact O-N 3.17Å; E704-S706 VanDerWaalsContact O-N 3.16Å; E704-R707 WeakPolarHBondContact O-CB 3.28Å; E704-R707 PolarHBondContact O-N 2.62Å; E704-R707 VanDerWaalsContact O-N 3.08Å
705	E	94.8	Very high	96.7	Very high	30 Å²	30	44.1 Å²	44.1	14%	0.14	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.4	-167.7	67.1	178.5	-170.9	0	0	114.1	P585 L669 T670 V701 R702	P585-E705 HydrophobicContact CB-CB 4.4Å; P585-E705 WeakPolarHBondContact CB-O 3.38Å; L669-E705 HydrophobicContact CD2-CB 4.21Å; L669-E705 WeakPolarHBondContact CD2-OE2 3.3Å; T670-E705 VanDerWaalsContact CB-OE1 3.3Å; T670-E705 WeakPolarHBondContact CB-OE1 3.37Å; T670-E705 PolarHBondContact N-OE2 2.85Å; T670-E705 PolarHBondContact OG1-OE1 3.03Å; V701-E705 WeakPolarHBondContact O-CA 3.47Å; V701-E705 WeakPolarHBondContact O-CB 3.42Å; V701-E705 PolarHBondContact O-N 3.4Å; R702-E705 IonicContact CZ-OE2 2.8Å; R702-E705 IonicContact NH1-OE1 2.68Å; R702-E705 PolarHBondContact NH1-OE1 2.65Å; R702-E705 IonicContact NH1-OE2 2.64Å; R702-E705 PolarHBondContact NH1-OE2 2.66Å; R702-E705 WeakPolarHBondContact O-CG 3.48Å
706	S	95.7	Very high	96.6	Very high	8 Å²	8	43.8 Å²	43.8	6%	0.056	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	17.9	-177.8	-55.6	0	0	0	0	113.2	P583 E704 Q708 Q709 V710	P583-S706 WeakPolarHBondContact O-CB 3.3Å; P583-S706 PolarHBondContact O-OG 3.19Å; E704-S706 VanDerWaalsContact C-N 3.28Å; E704-S706 PolarHBondContact O-N 3.17Å; E704-S706 VanDerWaalsContact O-N 3.16Å; S706-Q708 VanDerWaalsContact C-N 3.26Å; S706-Q708 PolarHBondContact O-N 3.49Å; S706-Q709 VanDerWaalsContact C-OE1 3.31Å; S706-Q709 PolarHBondContact O-N 2.97Å; S706-Q709 VanDerWaalsContact O-N 3.13Å; S706-Q709 PolarHBondContact O-OE1 3.34Å; S706-V710 WeakPolarHBondContact O-CG2 3.47Å; S706-V710 PolarHBondContact O-N 3.22Å
707	R	95.6	Very high	96.5	Very high	169 Å²	169	38.4 Å²	38.4	64%	0.638	19%	0.193	S	C	*	.	H	α-helix	trans	-56.6	-36.5	-174	-174.1	179.1	73.1	124.7	1.4	113.3	E704 A711	E704-R707 WeakPolarHBondContact O-CB 3.28Å; E704-R707 PolarHBondContact O-N 2.62Å; E704-R707 VanDerWaalsContact O-N 3.08Å; R707-A711 VanDerWaalsContact O-CB 3.23Å; R707-A711 WeakPolarHBondContact O-CB 3.38Å; R707-A711 PolarHBondContact O-N 3.45Å
708	Q	97.5	Very high	96.3	Very high	103 Å²	103	39.8 Å²	39.8	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-70.3	-40.6	-179.6	-65.6	-177.9	-33.5	0	0	111.8	F590 S706 A711 A712	F590-Q708 HydrophobicContact CE1-CB 3.56Å; F590-Q708 HydrophobicContact CZ-CB 3.82Å; S706-Q708 VanDerWaalsContact C-N 3.26Å; S706-Q708 PolarHBondContact O-N 3.49Å; Q708-A711 PolarHBondContact O-N 3.41Å; Q708-A712 PolarHBondContact O-N 3.4Å
709	Q	98.4	Very high	96.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-45.7	178.7	-66.3	76.9	8.5	0	0	110.6	P583 N584 P585 C587 F590 Y593 S706 A711 A712 M713	P583-Q709 HydrophobicContact CB-CB 3.67Å; P583-Q709 HydrophobicContact CB-CG 4.39Å; N584-Q709 PolarHBondContact O-NE2 2.81Å; P585-Q709 PolarHBondContact O-NE2 3.16Å; C587-Q709 PolarHBondContact O-NE2 3.03Å; F590-Q709 HydrophobicContact CE1-CG 4.36Å; Y593-Q709 HydrophobicContact CD1-CB 4.24Å; Y593-Q709 HydrophobicContact CD2-CB 4.25Å; Y593-Q709 HydrophobicContact CD2-CG 4.07Å; Y593-Q709 HydrophobicContact CE1-CB 3.95Å; Y593-Q709 HydrophobicContact CE1-CG 4.2Å; Y593-Q709 HydrophobicContact CE2-CB 3.95Å; Y593-Q709 HydrophobicContact CE2-CG 3.43Å; Y593-Q709 VanDerWaalsContact CE2-CG 3.43Å; Y593-Q709 HydrophobicContact CG-CB 4.36Å; Y593-Q709 VanDerWaalsContact CZ-CG 3.47Å; Y593-Q709 WeakPolarHBondContact OH-CG 3.24Å; S706-Q709 VanDerWaalsContact C-OE1 3.31Å; S706-Q709 PolarHBondContact O-N 2.97Å; S706-Q709 VanDerWaalsContact O-N 3.13Å; S706-Q709 PolarHBondContact O-OE1 3.34Å; Q709-A711 VanDerWaalsContact C-N 3.33Å; Q709-A711 PolarHBondContact O-N 3.34Å; Q709-A712 WeakPolarHBondContact O-CB 3.39Å; Q709-A712 PolarHBondContact O-N 3.16Å; Q709-M713 WeakPolarHBondContact O-CG 3.41Å; Q709-M713 PolarHBondContact O-N 3.4Å
710	V	97.9	Very high	95.9	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-39.8	175.6	179	0	0	0	0	111.5	P583 V618 Q621 L622 S706 A712 M713 Q714	P583-V710 HydrophobicContact CG-CG2 3.86Å; V618-V710 HydrophobicContact CG1-CG2 4.36Å; Q621-V710 HydrophobicContact CB-CG1 3.71Å; L622-V710 HydrophobicContact CD2-CG1 3.82Å; L622-V710 HydrophobicContact CG-CG1 4.03Å; S706-V710 WeakPolarHBondContact O-CG2 3.47Å; S706-V710 PolarHBondContact O-N 3.22Å; V710-A712 VanDerWaalsContact C-N 3.32Å; V710-A712 PolarHBondContact O-N 3.47Å; V710-M713 PolarHBondContact O-N 2.67Å; V710-Q714 WeakPolarHBondContact O-CB 3.38Å; V710-Q714 PolarHBondContact O-N 3.25Å
711	A	97.2	Very high	95.7	Very high	49 Å²	49	37.5 Å²	37.5	41%	0.405	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-37.4	175.3	0	0	0	0	0	112.5	R707 Q708 Q709 Q714 A715	R707-A711 VanDerWaalsContact O-CB 3.23Å; R707-A711 WeakPolarHBondContact O-CB 3.38Å; R707-A711 PolarHBondContact O-N 3.45Å; Q708-A711 PolarHBondContact O-N 3.41Å; Q709-A711 VanDerWaalsContact C-N 3.33Å; Q709-A711 PolarHBondContact O-N 3.34Å; A711-Q714 PolarHBondContact O-N 2.95Å; A711-A715 WeakPolarHBondContact O-CB 3.35Å; A711-A715 PolarHBondContact O-N 3.31Å
712	A	98.5	Very high	95.4	Very high	12 Å²	12	36.5 Å²	36.5	10%	0.099	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-45.1	174.5	0	0	0	0	0	111.7	F590 E594 Q708 Q709 V710 Q714 A715 G716	F590-A712 HydrophobicContact CB-CB 4Å; F590-A712 HydrophobicContact CD1-CB 4.1Å; F590-A712 HydrophobicContact CG-CB 4.49Å; E594-A712 VanDerWaalsContact CA-O 3.29Å; E594-A712 WeakPolarHBondContact CA-O 3.34Å; Q708-A712 PolarHBondContact O-N 3.4Å; Q709-A712 WeakPolarHBondContact O-CB 3.39Å; Q709-A712 PolarHBondContact O-N 3.16Å; V710-A712 VanDerWaalsContact C-N 3.32Å; V710-A712 PolarHBondContact O-N 3.47Å; A712-Q714 VanDerWaalsContact C-N 3.34Å; A712-Q714 PolarHBondContact O-N 3.01Å; A712-A715 WeakPolarHBondContact O-CB 3.43Å; A712-A715 PolarHBondContact O-N 3.15Å; A712-G716 PolarHBondContact O-N 3.04Å
713	M	98.5	Very high	95	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-44.6	173.2	-67.5	173.3	66.2	0	0	111.7	F566 P583 Y593 I596 G597 M600 L614 L622 Q709 V710 A715 G716 L717	F566-M713 HydrophobicContact CE1-CE 4.35Å; F566-M713 HydrophobicContact CE1-SD 4.28Å; F566-M713 HydrophobicContact CZ-CE 4Å; F566-M713 HydrophobicContact CZ-SD 4.19Å; P583-M713 HydrophobicContact CG-SD 4.17Å; Y593-M713 HydrophobicContact CD1-CG 3.83Å; Y593-M713 HydrophobicContact CD1-SD 3.94Å; Y593-M713 HydrophobicContact CG-CG 4.34Å; Y593-M713 WeakPolarHBondContact O-CA 3.26Å; Y593-M713 WeakPolarHBondContact O-CG 3.44Å; I596-M713 HydrophobicContact CG2-CE 4.05Å; G597-M713 VanDerWaalsContact CA-O 3.22Å; G597-M713 WeakPolarHBondContact CA-O 3.39Å; M600-M713 HydrophobicContact CE-CE 4.36Å; M600-M713 HydrophobicContact SD-CE 3.6Å; L614-M713 HydrophobicContact CD1-CE 4.37Å; L622-M713 HydrophobicContact CD1-CE 4.34Å; L622-M713 HydrophobicContact CD2-CB 3.74Å; Q709-M713 WeakPolarHBondContact O-CG 3.41Å; Q709-M713 PolarHBondContact O-N 3.4Å; V710-M713 PolarHBondContact O-N 2.67Å; M713-A715 PolarHBondContact O-N 3.27Å; M713-G716 PolarHBondContact O-N 2.86Å; M713-L717 WeakPolarHBondContact O-CB 3.4Å; M713-L717 PolarHBondContact O-N 3.32Å
714	Q	96.7	Very high	94.6	Very high	50 Å²	50	37.9 Å²	37.9	23%	0.234	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-41.3	177.1	-174.8	-179.9	56.5	0	0	111.9	L622 V710 A711 A712 G716 L717 L718	L622-Q714 HydrophobicContact CD2-CB 4.16Å; L622-Q714 PolarHBondContact O-NE2 3.05Å; V710-Q714 WeakPolarHBondContact O-CB 3.38Å; V710-Q714 PolarHBondContact O-N 3.25Å; A711-Q714 PolarHBondContact O-N 2.95Å; A712-Q714 VanDerWaalsContact C-N 3.34Å; A712-Q714 PolarHBondContact O-N 3.01Å; Q714-G716 VanDerWaalsContact C-N 3.28Å; Q714-G716 PolarHBondContact O-N 2.94Å; Q714-L717 PolarHBondContact O-N 3.38Å; Q714-L718 HydrophobicContact CG-CD1 4.04Å; Q714-L718 HydrophobicContact CG-CG 4.44Å; Q714-L718 WeakPolarHBondContact O-CB 3.31Å; Q714-L718 WeakPolarHBondContact O-CG 3.17Å; Q714-L718 PolarHBondContact O-N 3.09Å
715	A	96.2	Very high	94.4	Very high	43 Å²	43	33.2 Å²	33.2	36%	0.355	17%	0.17	S	C	.	.	H	α-helix	trans	-60	-41	175.7	0	0	0	0	0	111.6	A711 A712 M713 L718 K719	A711-A715 WeakPolarHBondContact O-CB 3.35Å; A711-A715 PolarHBondContact O-N 3.31Å; A712-A715 WeakPolarHBondContact O-CB 3.43Å; A712-A715 PolarHBondContact O-N 3.15Å; M713-A715 PolarHBondContact O-N 3.27Å; A715-L718 PolarHBondContact O-N 2.78Å; A715-K719 WeakPolarHBondContact O-CG 3.43Å; A715-K719 PolarHBondContact O-N 3.48Å
716	G	95.9	Very high	94.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-46.5	174	0	0	0	0	0	113.5	E594 G597 Q598 A712 M713 Q714 L718 K719	E594-G716 WeakPolarHBondContact O-CA 3.21Å; G597-G716 VanDerWaalsContact C-C 3.46Å; Q598-G716 WeakPolarHBondContact CG-O 3.41Å; A712-G716 PolarHBondContact O-N 3.04Å; M713-G716 PolarHBondContact O-N 2.86Å; Q714-G716 VanDerWaalsContact C-N 3.28Å; Q714-G716 PolarHBondContact O-N 2.94Å; G716-L718 VanDerWaalsContact C-N 3.3Å; G716-L718 PolarHBondContact O-N 2.84Å; G716-K719 WeakPolarHBondContact O-CB 3.36Å; G716-K719 PolarHBondContact O-N 3.24Å; G716-K719 VanDerWaalsContact O-N 3.15Å
717	L	95.3	Very high	93.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-43.7	176.6	179.9	59	0	0	0	111.1	G597 M600 M713 Q714 K719 V720 V721 L726	G597-L717 VanDerWaalsContact C-N 3.34Å; G597-L717 WeakPolarHBondContact O-CA 3.25Å; G597-L717 PolarHBondContact O-N 3.19Å; M600-L717 HydrophobicContact CB-CD1 4.24Å; M713-L717 WeakPolarHBondContact O-CB 3.4Å; M713-L717 PolarHBondContact O-N 3.32Å; Q714-L717 PolarHBondContact O-N 3.38Å; L717-K719 VanDerWaalsContact C-N 3.27Å; L717-K719 PolarHBondContact O-N 2.66Å; L717-V720 PolarHBondContact O-N 3.14Å; L717-V721 HydrophobicContact CD1-CB 4.26Å; L717-V721 HydrophobicContact CD1-CG2 3.93Å; L717-V721 PolarHBondContact O-N 3.39Å; L717-L726 HydrophobicContact CD2-CD1 3.77Å; L717-L726 HydrophobicContact CD2-CD2 3.91Å; L717-L726 HydrophobicContact CG-CD1 3.99Å; L717-L726 HydrophobicContact CG-CD2 4.28Å
718	L	92.8	Very high	93.4	Very high	51 Å²	51	24.3 Å²	24.3	27%	0.267	14%	0.135	S	C	.	.	H	α-helix	trans	-70.2	-18	178.9	-72.8	173	0	0	0	114.4	Q714 A715 G716 V720 V721 Q723 L726	Q714-L718 HydrophobicContact CG-CD1 4.04Å; Q714-L718 HydrophobicContact CG-CG 4.44Å; Q714-L718 WeakPolarHBondContact O-CB 3.31Å; Q714-L718 WeakPolarHBondContact O-CG 3.17Å; Q714-L718 PolarHBondContact O-N 3.09Å; A715-L718 PolarHBondContact O-N 2.78Å; G716-L718 VanDerWaalsContact C-N 3.3Å; G716-L718 PolarHBondContact O-N 2.84Å; L718-V720 PolarHBondContact O-N 3.05Å; L718-V721 WeakPolarHBondContact CA-O 3.5Å; L718-Q723 HydrophobicContact CD2-CB 3.91Å; L718-L726 HydrophobicContact CD2-CD1 3.58Å; L718-L726 HydrophobicContact CD2-CG 4.46Å; L718-L726 HydrophobicContact CG-CD1 4.18Å
719	K	92.8	Very high	93.2	Very high	107 Å²	107	19.5 Å²	19.5	47%	0.465	11%	0.113	S	C	.	.	H	α-helix	trans	-69	-23	169	-75.1	178.5	168.2	-179.5	0	112.5	R516 E594 Q598 A715 G716 L717	R516-K719 WeakPolarHBondContact CD-O 3.5Å; E594-K719 WeakPolarHBondContact OE1-CE 3.22Å; E594-K719 IonicContact OE1-NZ 3.53Å; E594-K719 PolarHBondContact OE1-NZ 3.47Å; Q598-K719 HydrophobicContact CG-CB 4.46Å; Q598-K719 VanDerWaalsContact NE2-CD 3.34Å; A715-K719 WeakPolarHBondContact O-CG 3.43Å; A715-K719 PolarHBondContact O-N 3.48Å; G716-K719 WeakPolarHBondContact O-CB 3.36Å; G716-K719 PolarHBondContact O-N 3.24Å; G716-K719 VanDerWaalsContact O-N 3.15Å; L717-K719 VanDerWaalsContact C-N 3.27Å; L717-K719 PolarHBondContact O-N 2.66Å
720	V	93.4	Very high	92.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-112.5	-34.6	-175	-175.8	0	0	0	0	111.9	Y515 R516 Q598 G601 R605 L717 L718	Y515-V720 HydrophobicContact CD2-CG2 4.39Å; R516-V720 HydrophobicContact CG-CB 4.43Å; R516-V720 HydrophobicContact CG-CG1 4.11Å; R516-V720 WeakPolarHBondContact CG-O 3.46Å; Q598-V720 HydrophobicContact CB-CG2 4.02Å; Q598-V720 HydrophobicContact CG-CG2 4.18Å; G601-V720 VanDerWaalsContact C-CG1 3.44Å; R605-V720 PolarHBondContact NH1-O 3.45Å; L717-V720 PolarHBondContact O-N 3.14Å; L718-V720 PolarHBondContact O-N 3.05Å
721	V	92.2	Very high	92.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-117.5	130.5	-175.6	-179.1	0	0	0	0	109.9	L457 L604 R605 L717 L718 V725 L726	L457-V721 HydrophobicContact CD2-CG1 4.39Å; L604-V721 HydrophobicContact CB-CG2 4.27Å; L604-V721 HydrophobicContact CD1-CG1 4.4Å; L604-V721 HydrophobicContact CD1-CG2 4.36Å; L604-V721 HydrophobicContact CD2-CG1 3.99Å; L604-V721 HydrophobicContact CD2-CG2 3.9Å; L604-V721 HydrophobicContact CG-CG2 4.4Å; R605-V721 HydrophobicContact CG-CG2 4.45Å; L717-V721 HydrophobicContact CD1-CB 4.26Å; L717-V721 HydrophobicContact CD1-CG2 3.93Å; L717-V721 PolarHBondContact O-N 3.39Å; L718-V721 WeakPolarHBondContact CA-O 3.5Å; V721-V725 HydrophobicContact CG1-CB 3.83Å; V721-V725 HydrophobicContact CG1-CG1 3.72Å; V721-L726 HydrophobicContact CB-CD2 4.49Å; V721-L726 HydrophobicContact CG1-CD2 3.85Å; V721-L726 HydrophobicContact CG1-CG 4.08Å
722	P	89.9	Confident	92.3	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.026	11%	0.114	C	C	.	.			trans	-57.4	141.4	177.3	-16.7	22.3	0	0	0	112.7	W426 C456 A724 V725 L726	W426-P722 HydrophobicContact CE3-CB 3.46Å; W426-P722 VanDerWaalsContact CE3-CB 3.46Å; W426-P722 HydrophobicContact CE3-CG 3.41Å; W426-P722 VanDerWaalsContact CE3-CG 3.41Å; W426-P722 HydrophobicContact CZ3-CB 3.5Å; W426-P722 HydrophobicContact CZ3-CG 3.39Å; C456-P722 HydrophobicContact CB-CG 4.23Å; C456-P722 WeakPolarHBondContact O-CG 3.13Å; P722-A724 HydrophobicContact CB-CB 4.2Å; P722-A724 PolarHBondContact O-N 2.71Å; P722-V725 HydrophobicContact CB-CB 4.35Å; P722-V725 HydrophobicContact CB-CG2 3.98Å; P722-V725 HydrophobicContact CG-CB 4.39Å; P722-V725 HydrophobicContact CG-CG2 3.71Å; P722-V725 WeakPolarHBondContact O-CB 3.4Å; P722-V725 PolarHBondContact O-N 2.92Å; P722-L726 PolarHBondContact O-N 3.16Å
723	Q	88	Confident	92	Very high	48 Å²	48	23.5 Å²	23.5	22%	0.224	12%	0.119	C	C	.	.	H	α-helix	trans	-54.1	-39.5	171	-178.7	64.7	60.9	0	0	111.2	L718 V725 L726 D727	L718-Q723 HydrophobicContact CD2-CB 3.91Å; Q723-V725 VanDerWaalsContact C-N 3.29Å; Q723-V725 PolarHBondContact O-N 3.29Å; Q723-L726 PolarHBondContact O-N 3.27Å; Q723-D727 PolarHBondContact NE2-OD1 3.25Å; Q723-D727 WeakPolarHBondContact O-CB 3.32Å; Q723-D727 PolarHBondContact O-N 3.49Å
724	A	85.4	Confident	91.8	Very high	14 Å²	14	23.5 Å²	23.5	12%	0.116	12%	0.119	C	C	.	.	H	α-helix	trans	-49.5	-46.3	172.4	0	0	0	0	0	113.3	V423 P722 D727 L728	V423-A724 HydrophobicContact CG1-CB 3.26Å; P722-A724 HydrophobicContact CB-CB 4.2Å; P722-A724 PolarHBondContact O-N 2.71Å; A724-D727 PolarHBondContact O-N 3.36Å; A724-L728 WeakPolarHBondContact O-CB 3.47Å; A724-L728 VanDerWaalsContact O-CG 3.28Å; A724-L728 WeakPolarHBondContact O-CG 3.37Å; A724-L728 PolarHBondContact O-N 3.19Å; A724-L728 VanDerWaalsContact O-N 3.07Å
725	V	89.7	Confident	91.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69	-43.1	180	171.6	0	0	0	0	110.5	I453 C456 L457 L604 V721 P722 Q723 D727 L728 L729	I453-V725 HydrophobicContact CG2-CG1 3.99Å; C456-V725 HydrophobicContact CB-CG2 3.48Å; C456-V725 VanDerWaalsContact CB-CG2 3.48Å; L457-V725 HydrophobicContact CD2-CG1 4.24Å; L457-V725 HydrophobicContact CD2-CG2 4.01Å; L457-V725 HydrophobicContact CG-CG1 4.4Å; L457-V725 HydrophobicContact CG-CG2 3.97Å; L604-V725 HydrophobicContact CD2-CG1 4.37Å; V721-V725 HydrophobicContact CG1-CB 3.83Å; V721-V725 HydrophobicContact CG1-CG1 3.72Å; P722-V725 HydrophobicContact CB-CB 4.35Å; P722-V725 HydrophobicContact CB-CG2 3.98Å; P722-V725 HydrophobicContact CG-CB 4.39Å; P722-V725 HydrophobicContact CG-CG2 3.71Å; P722-V725 WeakPolarHBondContact O-CB 3.4Å; P722-V725 PolarHBondContact O-N 2.92Å; Q723-V725 VanDerWaalsContact C-N 3.29Å; Q723-V725 PolarHBondContact O-N 3.29Å; V725-D727 VanDerWaalsContact C-N 3.32Å; V725-D727 PolarHBondContact O-N 3.21Å; V725-L728 PolarHBondContact O-N 3.06Å; V725-L729 HydrophobicContact CG1-CD1 3.68Å; V725-L729 HydrophobicContact CG1-CG 4.37Å; V725-L729 WeakPolarHBondContact O-CG 3.32Å; V725-L729 PolarHBondContact O-N 2.85Å
726	L	89.6	Confident	91.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-35.7	176.8	-63.4	-173.3	0	0	0	112.6	K440 L604 L717 L718 V721 P722 Q723 L728 L729 V734	K440-L726 PolarHBondContact NZ-O 3.44Å; L604-L726 HydrophobicContact CD1-CD2 4.33Å; L717-L726 HydrophobicContact CD2-CD1 3.77Å; L717-L726 HydrophobicContact CD2-CD2 3.91Å; L717-L726 HydrophobicContact CG-CD1 3.99Å; L717-L726 HydrophobicContact CG-CD2 4.28Å; L718-L726 HydrophobicContact CD2-CD1 3.58Å; L718-L726 HydrophobicContact CD2-CG 4.46Å; L718-L726 HydrophobicContact CG-CD1 4.18Å; V721-L726 HydrophobicContact CB-CD2 4.49Å; V721-L726 HydrophobicContact CG1-CD2 3.85Å; V721-L726 HydrophobicContact CG1-CG 4.08Å; P722-L726 PolarHBondContact O-N 3.16Å; Q723-L726 PolarHBondContact O-N 3.27Å; L726-L728 VanDerWaalsContact C-N 3.31Å; L726-L729 PolarHBondContact O-N 2.77Å; L726-L729 VanDerWaalsContact O-O 3.07Å; L726-V734 HydrophobicContact CD2-CG2 4.34Å
727	D	87.4	Confident	91.3	Very high	21 Å²	21	29.1 Å²	29.1	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-69.7	-31.3	176.6	-74.4	-16.9	0	0	0	112	I436 K437 K440 Q723 A724 V725	I436-D727 HydrophobicContact CG2-CB 3.99Å; K437-D727 WeakPolarHBondContact CE-OD1 3.46Å; K440-D727 WeakPolarHBondContact CE-O 3.46Å; Q723-D727 PolarHBondContact NE2-OD1 3.25Å; Q723-D727 WeakPolarHBondContact O-CB 3.32Å; Q723-D727 PolarHBondContact O-N 3.49Å; A724-D727 PolarHBondContact O-N 3.36Å; V725-D727 VanDerWaalsContact C-N 3.32Å; V725-D727 PolarHBondContact O-N 3.21Å
728	L	88.9	Confident	91.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-78.6	-28.9	175.7	-72.6	173.9	0	0	0	112.7	L419 V423 I436 L443 R449 L452 I453 A724 V725 L726	L419-L728 HydrophobicContact CD1-CD2 3.96Å; L419-L728 HydrophobicContact CD2-CD2 4.01Å; L419-L728 HydrophobicContact CG-CD2 4.21Å; V423-L728 HydrophobicContact CG1-CD1 4.14Å; V423-L728 HydrophobicContact CG2-CD1 4.49Å; V423-L728 HydrophobicContact CG2-CD2 4.22Å; V423-L728 HydrophobicContact CG2-CG 4.37Å; I436-L728 HydrophobicContact CD1-CD2 4.14Å; L443-L728 HydrophobicContact CD1-CD2 4.3Å; R449-L728 HydrophobicContact CG-CB 4.49Å; R449-L728 PolarHBondContact NE-O 2.75Å; R449-L728 PolarHBondContact NH2-O 2.79Å; L452-L728 HydrophobicContact CB-CD1 3.81Å; I453-L728 HydrophobicContact CD1-CB 4Å; I453-L728 HydrophobicContact CG1-CB 3.75Å; I453-L728 HydrophobicContact CG1-CD1 3.84Å; I453-L728 HydrophobicContact CG1-CG 4.46Å; A724-L728 WeakPolarHBondContact O-CB 3.47Å; A724-L728 VanDerWaalsContact O-CG 3.28Å; A724-L728 WeakPolarHBondContact O-CG 3.37Å; A724-L728 PolarHBondContact O-N 3.19Å; A724-L728 VanDerWaalsContact O-N 3.07Å; V725-L728 PolarHBondContact O-N 3.06Å; L726-L728 VanDerWaalsContact C-N 3.31Å
729	L	91.6	Very high	91.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	12%	0.122	C	C	.	.	S	Bend	trans	-87.3	142.2	-179.8	-68.9	169.8	0	0	0	112.7	K440 I453 L604 V725 L726 E733 V734 K737	K440-L729 WeakPolarHBondContact CD-O 3.45Å; K440-L729 PolarHBondContact NZ-O 3.38Å; K440-L729 VanDerWaalsContact NZ-O 3.12Å; I453-L729 HydrophobicContact CD1-CD2 3.69Å; I453-L729 HydrophobicContact CD1-CG 4.06Å; L604-L729 HydrophobicContact CD1-CD1 4.17Å; V725-L729 HydrophobicContact CG1-CD1 3.68Å; V725-L729 HydrophobicContact CG1-CG 4.37Å; V725-L729 WeakPolarHBondContact O-CG 3.32Å; V725-L729 PolarHBondContact O-N 2.85Å; L726-L729 PolarHBondContact O-N 2.77Å; L726-L729 VanDerWaalsContact O-O 3.07Å; L729-E733 HydrophobicContact CD2-CB 3.97Å; L729-V734 HydrophobicContact CB-CG2 3.71Å; L729-V734 HydrophobicContact CD1-CG2 4.04Å; L729-K737 HydrophobicContact CD1-CD 4.11Å; L729-K737 HydrophobicContact CD2-CD 4.37Å
730	T	92.1	Very high	91.1	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	10%	0.1	C	C	.	.			trans	-74.7	158.1	165.2	65.1	0	0	0	0	110.1	K440 L444 Q732 E733 V734	K440-T730 HydrophobicContact CB-CG2 4.37Å; L444-T730 HydrophobicContact CG-CG2 4.38Å; T730-Q732 PolarHBondContact O-N 2.96Å; T730-Q732 PolarHBondContact OG1-OE1 2.98Å; T730-E733 WeakPolarHBondContact CB-OE2 3.43Å; T730-E733 WeakPolarHBondContact CG2-OE2 3.44Å; T730-E733 PolarHBondContact N-OE2 3.21Å; T730-E733 PolarHBondContact O-N 3.09Å; T730-E733 WeakPolarHBondContact OG1-CG 3.49Å; T730-E733 PolarHBondContact OG1-N 3.31Å; T730-E733 PolarHBondContact OG1-OE2 3.39Å; T730-V734 WeakPolarHBondContact O-CG2 3.14Å; T730-V734 PolarHBondContact O-N 3.36Å
731	W	92.6	Very high	90.7	Very high	42 Å²	42	23.6 Å²	23.6	16%	0.159	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-35.1	176.2	75.5	-93.5	0	0	0	112.4	W619 K620 T623 E625 V734 E735	W619-W731 HydrophobicContact CB-CB 3.94Å; W619-W731 HydrophobicContact CB-CD2 4.21Å; W619-W731 HydrophobicContact CB-CE3 3.59Å; W619-W731 HydrophobicContact CB-CG 4.4Å; W619-W731 HydrophobicContact CB-CZ3 4.47Å; W619-W731 HydrophobicContact CG-CE3 4.05Å; K620-W731 HydrophobicContact CG-CB 4.19Å; K620-W731 HydrophobicContact CG-CD2 4.29Å; K620-W731 HydrophobicContact CG-CG 3.73Å; T623-W731 HydrophobicContact CG2-CB 4.23Å; E625-W731 WeakPolarHBondContact OE1-CB 3.47Å; E625-W731 PolarHBondContact OE1-N 2.91Å; W731-V734 PolarHBondContact O-N 3.38Å; W731-E735 WeakPolarHBondContact CZ3-OE2 3.5Å; W731-E735 PolarHBondContact O-N 3.49Å
732	Q	89.9	Confident	89.9	Confident	65 Å²	65	26.7 Å²	26.7	30%	0.304	13%	0.131	S	C	.	.	H	α-helix	trans	-65.4	-41.6	176.9	-61.7	94.6	-33.3	0	0	111.9	T730 E735 K736	T730-Q732 PolarHBondContact O-N 2.96Å; T730-Q732 PolarHBondContact OG1-OE1 2.98Å; Q732-E735 PolarHBondContact O-N 3Å; Q732-K736 VanDerWaalsContact O-CB 3.29Å; Q732-K736 WeakPolarHBondContact O-CB 3.37Å; Q732-K736 PolarHBondContact O-N 2.95Å
733	E	92.6	Very high	89.5	Confident	41 Å²	41	32.9 Å²	32.9	19%	0.192	16%	0.159	C	C	.	.	H	α-helix	trans	-70.6	-34.1	176.7	-70.8	157.8	125.3	0	0	112	R449 L729 T730 K736 K737	R449-E733 IonicContact CZ-OE1 2.83Å; R449-E733 IonicContact CZ-OE2 3.19Å; R449-E733 IonicContact NH1-OE1 3.36Å; R449-E733 PolarHBondContact NH1-OE1 3.22Å; R449-E733 IonicContact NH1-OE2 3.58Å; R449-E733 PolarHBondContact NH1-OE2 3.16Å; R449-E733 VanDerWaalsContact NH2-CD 3.34Å; R449-E733 IonicContact NH2-OE1 2.69Å; R449-E733 PolarHBondContact NH2-OE1 3.13Å; R449-E733 IonicContact NH2-OE2 3.94Å; R449-E733 PolarHBondContact NH2-OE2 2.82Å; L729-E733 HydrophobicContact CD2-CB 3.97Å; T730-E733 WeakPolarHBondContact CB-OE2 3.43Å; T730-E733 WeakPolarHBondContact CG2-OE2 3.44Å; T730-E733 PolarHBondContact N-OE2 3.21Å; T730-E733 PolarHBondContact O-N 3.09Å; T730-E733 WeakPolarHBondContact OG1-CG 3.49Å; T730-E733 PolarHBondContact OG1-N 3.31Å; T730-E733 PolarHBondContact OG1-OE2 3.39Å; E733-K736 PolarHBondContact O-N 3.36Å; E733-K737 VanDerWaalsContact O-CB 3.28Å; E733-K737 WeakPolarHBondContact O-CB 3.42Å; E733-K737 VanDerWaalsContact O-CG 3.24Å; E733-K737 WeakPolarHBondContact O-CG 3.45Å; E733-K737 PolarHBondContact O-N 2.87Å
734	V	95.1	Very high	89.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-49.1	172.5	173.9	0	0	0	0	110	L604 W619 T623 L726 L729 T730 W731 K736 K737 V738	L604-V734 HydrophobicContact CD1-CG1 4.28Å; L604-V734 HydrophobicContact CD1-CG2 4.44Å; W619-V734 HydrophobicContact CE3-CG1 4.21Å; W619-V734 HydrophobicContact CZ3-CG1 4.17Å; T623-V734 HydrophobicContact CG2-CB 3.96Å; T623-V734 HydrophobicContact CG2-CG1 4.19Å; T623-V734 HydrophobicContact CG2-CG2 3.67Å; L726-V734 HydrophobicContact CD2-CG2 4.34Å; L729-V734 HydrophobicContact CB-CG2 3.71Å; L729-V734 HydrophobicContact CD1-CG2 4.04Å; T730-V734 WeakPolarHBondContact O-CG2 3.14Å; T730-V734 PolarHBondContact O-N 3.36Å; W731-V734 PolarHBondContact O-N 3.38Å; V734-K736 VanDerWaalsContact C-N 3.34Å; V734-K736 PolarHBondContact O-N 2.68Å; V734-K737 PolarHBondContact O-N 2.94Å; V734-V738 HydrophobicContact CG1-CG2 4.22Å; V734-V738 WeakPolarHBondContact O-CB 3.2Å; V734-V738 WeakPolarHBondContact O-CG2 3.25Å; V734-V738 PolarHBondContact O-N 3.37Å
735	E	94	Very high	89.5	Confident	24 Å²	24	32 Å²	32	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-51.4	174.1	178.7	-174.4	-175.7	0	0	110.7	W619 W731 Q732 K737 V738 C739 R792	W619-E735 HydrophobicContact CD2-CB 3.91Å; W619-E735 HydrophobicContact CD2-CG 4.35Å; W619-E735 HydrophobicContact CE3-CB 4.29Å; W619-E735 HydrophobicContact CG-CB 4.29Å; W619-E735 HydrophobicContact CH2-CB 4.48Å; W619-E735 HydrophobicContact CZ2-CB 4.13Å; W619-E735 HydrophobicContact CZ2-CG 3.83Å; W731-E735 WeakPolarHBondContact CZ3-OE2 3.5Å; W731-E735 PolarHBondContact O-N 3.49Å; Q732-E735 PolarHBondContact O-N 3Å; E735-K737 VanDerWaalsContact C-N 3.32Å; E735-K737 PolarHBondContact O-N 3.38Å; E735-V738 PolarHBondContact O-N 3.03Å; E735-C739 WeakPolarHBondContact O-CB 3.24Å; E735-C739 PolarHBondContact O-N 3.04Å; E735-R792 IonicContact OE1-NH1 3.34Å
736	K	91.2	Very high	89.5	Confident	101 Å²	101	32.4 Å²	32.4	44%	0.439	16%	0.158	S	C	.	.	H	α-helix	trans	-61.6	-37.8	-179	179.5	171.8	173.4	146.2	0	112.7	Q732 E733 V734 G740 D741	Q732-K736 VanDerWaalsContact O-CB 3.29Å; Q732-K736 WeakPolarHBondContact O-CB 3.37Å; Q732-K736 PolarHBondContact O-N 2.95Å; E733-K736 PolarHBondContact O-N 3.36Å; V734-K736 VanDerWaalsContact C-N 3.34Å; V734-K736 PolarHBondContact O-N 2.68Å; K736-G740 WeakPolarHBondContact O-CA 3.31Å; K736-G740 PolarHBondContact O-N 3.21Å; K736-D741 VanDerWaalsContact CD-OD1 3.23Å; K736-D741 WeakPolarHBondContact CD-OD1 3.22Å; K736-D741 VanDerWaalsContact CE-CG 3.42Å; K736-D741 WeakPolarHBondContact CE-OD1 3.15Å; K736-D741 WeakPolarHBondContact CE-OD2 3.38Å; K736-D741 IonicContact NZ-OD1 2.72Å; K736-D741 PolarHBondContact NZ-OD1 3.44Å; K736-D741 IonicContact NZ-OD2 3.71Å; K736-D741 PolarHBondContact NZ-OD2 2.91Å
737	K	92.8	Very high	89.4	Confident	87 Å²	87	38.4 Å²	38.4	38%	0.378	19%	0.186	S	C	.	.	H	α-helix	trans	-72.5	-32.4	177	-76.7	177	172.3	-68.1	0	112.8	L604 L729 E733 V734 E735	L604-K737 HydrophobicContact CB-CB 4.48Å; L604-K737 HydrophobicContact CG-CB 4.04Å; L604-K737 HydrophobicContact CG-CD 4.17Å; L729-K737 HydrophobicContact CD1-CD 4.11Å; L729-K737 HydrophobicContact CD2-CD 4.37Å; E733-K737 VanDerWaalsContact O-CB 3.28Å; E733-K737 WeakPolarHBondContact O-CB 3.42Å; E733-K737 VanDerWaalsContact O-CG 3.24Å; E733-K737 WeakPolarHBondContact O-CG 3.45Å; E733-K737 PolarHBondContact O-N 2.87Å; V734-K737 PolarHBondContact O-N 2.94Å; E735-K737 VanDerWaalsContact C-N 3.32Å; E735-K737 PolarHBondContact O-N 3.38Å
738	V	94.8	Very high	89.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-82	-46.9	180	173.6	0	0	0	0	111.6	M600 A603 L604 F609 L610 W619 V734 E735	M600-V738 HydrophobicContact CB-CG1 3.95Å; M600-V738 HydrophobicContact CB-CG2 4.15Å; M600-V738 HydrophobicContact CE-CG1 4.37Å; M600-V738 HydrophobicContact CG-CG1 3.92Å; A603-V738 HydrophobicContact CB-CG1 4.45Å; L604-V738 HydrophobicContact CB-CG2 4.27Å; F609-V738 CarbonylContact C-O 3.6Å; F609-V738 VanDerWaalsContact CA-O 3.27Å; F609-V738 WeakPolarHBondContact CA-O 3.33Å; F609-V738 WeakPolarHBondContact CB-O 3.39Å; L610-V738 HydrophobicContact CB-CG1 4.43Å; L610-V738 PolarHBondContact N-O 3.39Å; W619-V738 HydrophobicContact CH2-CB 4.09Å; W619-V738 HydrophobicContact CH2-CG1 3.99Å; W619-V738 HydrophobicContact CZ3-CB 4.32Å; W619-V738 HydrophobicContact CZ3-CG1 4.47Å; W619-V738 HydrophobicContact CZ3-CG2 4.35Å; V734-V738 HydrophobicContact CG1-CG2 4.22Å; V734-V738 WeakPolarHBondContact O-CB 3.2Å; V734-V738 WeakPolarHBondContact O-CG2 3.25Å; V734-V738 PolarHBondContact O-N 3.37Å; E735-V738 PolarHBondContact O-N 3.03Å
739	C	92.3	Very high	89	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-100.8	-24.5	-170.6	-60.1	0	0	0	0	113	F609 L610 L612 W619 E735 R792	F609-C739 WeakPolarHBondContact CB-O 3.47Å; F609-C739 WeakPolarHBondContact CG-O 3.45Å; L610-C739 PolarHBondContact O-SG 3Å; L612-C739 PolarHBondContact N-SG 3.22Å; L612-C739 VanDerWaalsContact N-SG 3.37Å; L612-C739 PolarHBondContact O-SG 3.48Å; W619-C739 VanDerWaalsContact CZ2-SG 3.6Å; E735-C739 WeakPolarHBondContact O-CB 3.24Å; E735-C739 PolarHBondContact O-N 3.04Å; C739-R792 WeakPolarHBondContact O-CB 3.44Å; C739-R792 WeakPolarHBondContact O-CD 3.49Å
740	G	89.6	Confident	88.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.			trans	83.8	173.3	-164.9	0	0	0	0	0	112.6	K736 P742 R792 L793	K736-G740 WeakPolarHBondContact O-CA 3.31Å; K736-G740 PolarHBondContact O-N 3.21Å; G740-P742 WeakPolarHBondContact O-CD 3.13Å; G740-R792 WeakPolarHBondContact O-CD 3.25Å; G740-R792 PolarHBondContact O-NH1 3.34Å; G740-L793 CarbonylContact C-O 3.51Å; G740-L793 VanDerWaalsContact CA-O 3.26Å; G740-L793 WeakPolarHBondContact CA-O 3.47Å
741	D	84.5	Confident	88.4	Confident	43 Å²	43	49.6 Å²	49.6	23%	0.23	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-67.6	119.7	-178.9	-77.5	-57.4	0	0	0	111.4	K736 R792 L793	K736-D741 VanDerWaalsContact CD-OD1 3.23Å; K736-D741 WeakPolarHBondContact CD-OD1 3.22Å; K736-D741 VanDerWaalsContact CE-CG 3.42Å; K736-D741 WeakPolarHBondContact CE-OD1 3.15Å; K736-D741 WeakPolarHBondContact CE-OD2 3.38Å; K736-D741 IonicContact NZ-OD1 2.72Å; K736-D741 PolarHBondContact NZ-OD1 3.44Å; K736-D741 IonicContact NZ-OD2 3.71Å; K736-D741 PolarHBondContact NZ-OD2 2.91Å; D741-R792 WeakPolarHBondContact O-CB 3.17Å; D741-R792 WeakPolarHBondContact O-CD 3.2Å; D741-L793 HydrophobicContact CB-CB 4.13Å; D741-L793 PolarHBondContact N-O 2.93Å
742	P	75.9	Confident	88	Confident	65 Å²	65	49.7 Å²	49.7	42%	0.422	23%	0.234	S	C	.	.	S	Bend	trans	-71.4	-32.4	-179.4	25.8	-32	0	0	0	113.3	G740 N777	G740-P742 WeakPolarHBondContact O-CD 3.13Å; P742-N777 PolarHBondContact O-ND2 2.96Å
743	E	81.7	Confident	87.8	Confident	134 Å²	134	46.9 Å²	46.9	63%	0.626	22%	0.222	S	C	*	.			trans	-95.2	120.1	178.3	-169	-178.3	179.9	0	0	110.2	T745	E743-T745 HydrophobicContact CG-CG2 4.2Å
744	I	86.3	Confident	87.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.237	C	C	.	.			trans	-106.5	89.1	-178	-58	174.5	0	0	0	107.5	L749 N777 R780 S781 L784 S791 L793	I744-L749 HydrophobicContact CG2-CD1 3.65Å; I744-L749 HydrophobicContact CG2-CD2 3.7Å; I744-L749 HydrophobicContact CG2-CG 3.55Å; I744-N777 PolarHBondContact N-OD1 2.86Å; I744-R780 HydrophobicContact CB-CB 4.24Å; I744-R780 HydrophobicContact CG2-CB 4.05Å; I744-R780 VanDerWaalsContact O-CD 3.31Å; I744-R780 WeakPolarHBondContact O-CD 3.45Å; I744-R780 PolarHBondContact O-NH1 2.92Å; I744-S781 VanDerWaalsContact CD1-CA 3.49Å; I744-L784 HydrophobicContact CD1-CD2 3.98Å; I744-S791 WeakPolarHBondContact CD1-O 3.46Å; I744-L793 HydrophobicContact CG1-CG 4.35Å; I744-L793 HydrophobicContact CG2-CD1 4.06Å; I744-L793 HydrophobicContact CG2-CG 4.3Å
745	T	87.9	Confident	87.1	Confident	43 Å²	43	53.4 Å²	53.4	26%	0.264	25%	0.245	S	C	.	.			trans	-75.2	152.9	175	69.3	0	0	0	0	111.3	E743 E747 A748 L749	E743-T745 HydrophobicContact CG-CG2 4.2Å; T745-E747 PolarHBondContact O-N 2.89Å; T745-A748 PolarHBondContact O-N 3.36Å; T745-A748 VanDerWaalsContact OG1-CB 3.29Å; T745-A748 WeakPolarHBondContact OG1-CB 3.48Å; T745-A748 PolarHBondContact OG1-N 3.15Å; T745-A748 VanDerWaalsContact OG1-N 3.16Å; T745-L749 PolarHBondContact O-N 2.74Å
746	V	89.3	Confident	86.6	Confident	10 Å²	10	56.2 Å²	56.2	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-35.6	178	-179.4	0	0	0	0	110.3	L749 K750 W769	V746-L749 PolarHBondContact O-N 3.18Å; V746-K750 HydrophobicContact CG1-CD 4.21Å; V746-K750 HydrophobicContact CG1-CG 4.45Å; V746-K750 WeakPolarHBondContact O-CB 3.47Å; V746-K750 WeakPolarHBondContact O-CG 3.29Å; V746-K750 PolarHBondContact O-N 3.36Å; V746-W769 HydrophobicContact CG1-CE3 3.76Å; V746-W769 HydrophobicContact CG1-CZ3 4.2Å
747	E	86.4	Confident	86.1	Confident	125 Å²	125	58 Å²	58	58%	0.584	27%	0.272	S	S	*	.	H	α-helix	trans	-63.9	-40.7	176	-64.5	66.5	-144.4	0	0	111.5	T745 K750 R751	T745-E747 PolarHBondContact O-N 2.89Å; E747-K750 PolarHBondContact O-N 3.5Å; E747-R751 WeakPolarHBondContact O-CB 3.44Å; E747-R751 PolarHBondContact O-N 2.76Å
748	A	82.7	Confident	85.6	Confident	10 Å²	10	54.7 Å²	54.7	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-42.8	176.4	0	0	0	0	0	111.6	T745 R751 L752 L793	T745-A748 PolarHBondContact O-N 3.36Å; T745-A748 VanDerWaalsContact OG1-CB 3.29Å; T745-A748 WeakPolarHBondContact OG1-CB 3.48Å; T745-A748 PolarHBondContact OG1-N 3.15Å; T745-A748 VanDerWaalsContact OG1-N 3.16Å; A748-R751 PolarHBondContact O-N 3.37Å; A748-L752 WeakPolarHBondContact O-CG 3.46Å; A748-L752 PolarHBondContact O-N 3.09Å; A748-L793 HydrophobicContact CB-CD1 3.63Å
749	L	86.7	Confident	84.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-51.8	172.9	-72.7	170.7	0	0	0	110.9	I744 T745 V746 R751 L752 T753 W769 L772 R780 L784 L793 I797	I744-L749 HydrophobicContact CG2-CD1 3.65Å; I744-L749 HydrophobicContact CG2-CD2 3.7Å; I744-L749 HydrophobicContact CG2-CG 3.55Å; T745-L749 PolarHBondContact O-N 2.74Å; V746-L749 PolarHBondContact O-N 3.18Å; L749-R751 VanDerWaalsContact C-N 3.26Å; L749-R751 PolarHBondContact O-N 3.12Å; L749-L752 CarbonylContact O-C 3.57Å; L749-L752 PolarHBondContact O-N 3.34Å; L749-T753 PolarHBondContact O-N 3.39Å; L749-T753 PolarHBondContact O-OG1 2.84Å; L749-W769 HydrophobicContact CB-CH2 3.97Å; L749-W769 HydrophobicContact CB-CZ3 3.76Å; L749-L772 HydrophobicContact CD1-CD1 4.5Å; L749-R780 HydrophobicContact CD1-CG 4.34Å; L749-L784 HydrophobicContact CD2-CD1 4.1Å; L749-L793 HydrophobicContact CD2-CD2 4.15Å; L749-I797 HydrophobicContact CD2-CD1 3.89Å
750	K	85.6	Confident	84.3	Confident	82 Å²	82	68.1 Å²	68.1	36%	0.357	32%	0.321	S	S	.	.	H	α-helix	trans	-52.5	-43	177.8	-79.8	175	177.4	172.1	0	112.6	V746 E747 L752 T753 W769	V746-K750 HydrophobicContact CG1-CD 4.21Å; V746-K750 HydrophobicContact CG1-CG 4.45Å; V746-K750 WeakPolarHBondContact O-CB 3.47Å; V746-K750 WeakPolarHBondContact O-CG 3.29Å; V746-K750 PolarHBondContact O-N 3.36Å; E747-K750 PolarHBondContact O-N 3.5Å; K750-L752 VanDerWaalsContact C-N 3.27Å; K750-L752 PolarHBondContact O-N 3.49Å; K750-T753 PolarHBondContact O-N 3.33Å; K750-W769 VanDerWaalsContact CA-CH2 3.44Å; K750-W769 HydrophobicContact CB-CH2 4.09Å; K750-W769 HydrophobicContact CB-CZ2 4.19Å; K750-W769 HydrophobicContact CB-CZ3 4.41Å; K750-W769 HydrophobicContact CD-CD2 4.11Å; K750-W769 HydrophobicContact CD-CE3 4.21Å; K750-W769 HydrophobicContact CG-CD2 3.56Å; K750-W769 HydrophobicContact CG-CE3 3.55Å; K750-W769 HydrophobicContact CG-CG 4.38Å; K750-W769 HydrophobicContact CG-CH2 3.51Å; K750-W769 HydrophobicContact CG-CZ2 3.51Å; K750-W769 HydrophobicContact CG-CZ3 3.52Å
751	R	85.3	Confident	84.1	Confident	170 Å²	170	71.7 Å²	71.7	64%	0.642	35%	0.346	S	S	*	.	H	α-helix	trans	-63.8	-32.7	179.6	-176.9	174.5	60.1	-133.6	-4.2	112.8	E747 A748 L749 R754	E747-R751 WeakPolarHBondContact O-CB 3.44Å; E747-R751 PolarHBondContact O-N 2.76Å; A748-R751 PolarHBondContact O-N 3.37Å; L749-R751 VanDerWaalsContact C-N 3.26Å; L749-R751 PolarHBondContact O-N 3.12Å; R751-R754 PolarHBondContact O-NH1 3Å
752	L	83.7	Confident	84.4	Confident	43 Å²	43	71.4 Å²	71.4	23%	0.225	35%	0.345	C	S	.	.	H	α-helix	trans	-95.2	-7	-177.5	-64.7	171.1	0	0	0	113.4	A748 L749 K750 L793 P794 I797	A748-L752 WeakPolarHBondContact O-CG 3.46Å; A748-L752 PolarHBondContact O-N 3.09Å; L749-L752 CarbonylContact O-C 3.57Å; L749-L752 PolarHBondContact O-N 3.34Å; K750-L752 VanDerWaalsContact C-N 3.27Å; K750-L752 PolarHBondContact O-N 3.49Å; L752-L793 HydrophobicContact CD1-CB 4.46Å; L752-L793 HydrophobicContact CD1-CD1 4.17Å; L752-L793 HydrophobicContact CD1-CD2 3.65Å; L752-L793 HydrophobicContact CD1-CG 4.31Å; L752-P794 HydrophobicContact CD1-CB 4.07Å; L752-I797 PolarHBondContact O-N 3.46Å
753	T	85.1	Confident	85	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.043	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.8	174.6	-56.9	0	0	0	0	111.9	L749 K750 Y755 W769 I797 V799	L749-T753 PolarHBondContact O-N 3.39Å; L749-T753 PolarHBondContact O-OG1 2.84Å; K750-T753 PolarHBondContact O-N 3.33Å; T753-Y755 HydrophobicContact CG2-CD1 4.3Å; T753-Y755 HydrophobicContact CG2-CE1 3.76Å; T753-W769 HydrophobicContact CG2-CZ2 4.09Å; T753-W769 WeakPolarHBondContact OG1-CH2 3.42Å; T753-I797 CarbonylContact C-O 3.54Å; T753-I797 VanDerWaalsContact CA-O 3.28Å; T753-I797 WeakPolarHBondContact CA-O 3.46Å; T753-I797 HydrophobicContact CG2-CB 4.49Å; T753-I797 HydrophobicContact CG2-CG2 4.32Å; T753-V799 HydrophobicContact CG2-CG2 3.61Å
754	R	88.3	Confident	85.4	Confident	133 Å²	133	67.4 Å²	67.4	50%	0.502	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.3	170.3	-61.1	-63.7	177.9	-96.7	0.4	108.3	R751 I797 Y798 V799	R751-R754 PolarHBondContact O-NH1 3Å; R754-I797 PolarHBondContact N-O 2.98Å; R754-Y798 HydrophobicContact CB-CD1 3.88Å; R754-Y798 HydrophobicContact CB-CE1 4.11Å; R754-Y798 HydrophobicContact CG-CE1 4.28Å; R754-Y798 WeakPolarHBondContact O-CA 3.26Å; R754-V799 PolarHBondContact O-N 3.4Å
755	Y	86.1	Confident	85.7	Confident	45 Å²	45	67.4 Å²	67.4	18%	0.176	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.3	-178.7	-52.1	-75.6	0	0	0	108.1	T753 L758 Q760 V765 W769 V799	T753-Y755 HydrophobicContact CG2-CD1 4.3Å; T753-Y755 HydrophobicContact CG2-CE1 3.76Å; Y755-L758 WeakPolarHBondContact CB-O 3.33Å; Y755-Q760 HydrophobicContact CE2-CB 4.24Å; Y755-Q760 HydrophobicContact CE2-CG 4.18Å; Y755-V765 HydrophobicContact CD1-CG1 4.2Å; Y755-V765 HydrophobicContact CD1-CG2 3.81Å; Y755-V765 HydrophobicContact CE1-CB 4.3Å; Y755-V765 HydrophobicContact CE1-CG1 3.42Å; Y755-V765 VanDerWaalsContact CE1-CG1 3.42Å; Y755-V765 HydrophobicContact CE1-CG2 3.84Å; Y755-W769 AromaticContact CZ-NE1 3.88Å; Y755-W769 VanDerWaalsContact OH-CE2 3.31Å; Y755-W769 WeakPolarHBondContact OH-CZ2 3.28Å; Y755-W769 PolarHBondContact OH-NE1 2.99Å; Y755-V799 HydrophobicContact CD1-CB 4.11Å
756	E	81.9	Confident	86	Confident	82 Å²	82	70.5 Å²	70.5	38%	0.383	33%	0.334	S	S	.	.	S	Bend	trans	-115.8	126.3	177.6	-62.7	-66.2	159.8	0	0	107.1	L758 Y798 V799 F800 P801	E756-L758 PolarHBondContact O-N 3.26Å; E756-Y798 HydrophobicContact CG-CD1 4.43Å; E756-V799 PolarHBondContact N-O 3.12Å; E756-F800 HydrophobicContact CB-CD1 3.74Å; E756-F800 HydrophobicContact CB-CD2 4.03Å; E756-F800 HydrophobicContact CB-CE1 3.34Å; E756-F800 HydrophobicContact CB-CE2 3.71Å; E756-F800 HydrophobicContact CB-CG 4.09Å; E756-F800 HydrophobicContact CB-CZ 3.34Å; E756-F800 HydrophobicContact CG-CD2 4.43Å; E756-F800 HydrophobicContact CG-CE1 4.05Å; E756-F800 HydrophobicContact CG-CE2 3.73Å; E756-F800 HydrophobicContact CG-CZ 3.51Å; E756-P801 WeakPolarHBondContact O-CD 3.31Å
757	D	81.4	Confident	86.3	Confident	139 Å²	139	73 Å²	73	74%	0.743	34%	0.343	S	S	*	.	S	Bend	trans	55.6	21.3	-172.7	-56.2	-41.2	0	0	0	114.8	P801	D757-P801 HydrophobicContact CB-CG 4.23Å
758	L	82.1	Confident	86.7	Confident	18 Å²	18	67.1 Å²	67.1	9%	0.094	32%	0.315	C	S	.	.			trans	-135.9	140.7	175.2	-68.6	174.5	0	0	0	110.1	Y755 E756 V765 V799 P801	Y755-L758 WeakPolarHBondContact CB-O 3.33Å; E756-L758 PolarHBondContact O-N 3.26Å; L758-V765 HydrophobicContact CB-CG2 4.36Å; L758-V765 HydrophobicContact CD1-CG2 4.31Å; L758-V799 HydrophobicContact CD1-CG1 3.89Å; L758-P801 HydrophobicContact CD2-CB 4.3Å
759	E	78.8	Confident	87.3	Confident	141 Å²	141	67.6 Å²	67.6	66%	0.659	32%	0.315	S	S	*	.			trans	-91.9	153.2	169	-66	-171.1	167.1	0	0	110.9	S761 D762	E759-S761 PolarHBondContact O-N 3.17Å; E759-S761 VanDerWaalsContact O-N 3.13Å; E759-S761 PolarHBondContact OE2-OG 2.72Å; E759-D762 WeakPolarHBondContact O-CB 3.26Å; E759-D762 PolarHBondContact O-N 3.04Å
760	Q	80.5	Confident	87.7	Confident	140 Å²	140	72.7 Å²	72.7	65%	0.654	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	176.1	-170.2	174.8	15.3	0	0	112.8	Y755 D762	Y755-Q760 HydrophobicContact CE2-CB 4.24Å; Y755-Q760 HydrophobicContact CE2-CG 4.18Å; Q760-D762 VanDerWaalsContact C-N 3.33Å
761	S	86.7	Confident	88.1	Confident	75 Å²	75	68.8 Å²	68.8	52%	0.524	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11	175	30.9	0	0	0	0	114.3	E759 Q766	E759-S761 PolarHBondContact O-N 3.17Å; E759-S761 VanDerWaalsContact O-N 3.13Å; E759-S761 PolarHBondContact OE2-OG 2.72Å; S761-Q766 PolarHBondContact O-NE2 2.81Å
762	D	89.5	Confident	88.5	Confident	37 Å²	37	60.7 Å²	60.7	20%	0.198	29%	0.291	C	S	.	.			trans	-60.6	138.8	-178	-168.6	-64.2	0	0	0	111.5	E759 Q760 R764 V765 Q766	E759-D762 WeakPolarHBondContact O-CB 3.26Å; E759-D762 PolarHBondContact O-N 3.04Å; Q760-D762 VanDerWaalsContact C-N 3.33Å; D762-R764 PolarHBondContact O-N 2.79Å; D762-R764 VanDerWaalsContact OD1-CB 3.29Å; D762-R764 WeakPolarHBondContact OD1-CB 3.3Å; D762-R764 WeakPolarHBondContact OD1-CG 3.4Å; D762-R764 IonicContact OD1-CZ 2.67Å; D762-R764 PolarHBondContact OD1-N 3.44Å; D762-R764 IonicContact OD1-NE 3.47Å; D762-R764 PolarHBondContact OD1-NE 3.42Å; D762-R764 IonicContact OD1-NH2 3.63Å; D762-R764 IonicContact OD2-CZ 2.57Å; D762-R764 IonicContact OD2-NE 2.61Å; D762-R764 PolarHBondContact OD2-NE 3.02Å; D762-R764 IonicContact OD2-NH2 3.89Å; D762-R764 PolarHBondContact OD2-NH2 3.37Å; D762-V765 HydrophobicContact CB-CB 4.44Å; D762-V765 HydrophobicContact CB-CG2 4.14Å; D762-V765 WeakPolarHBondContact O-CB 3.45Å; D762-V765 PolarHBondContact O-N 2.72Å; D762-Q766 WeakPolarHBondContact O-CG 3.23Å; D762-Q766 PolarHBondContact O-N 3.26Å
763	V	89.6	Confident	89.1	Confident	62 Å²	62	61.6 Å²	61.6	38%	0.376	30%	0.301	S	S	.	.	H	α-helix	trans	-58.8	-34.4	-178.4	68.6	0	0	0	0	112.4	V765 Q766 Y767	V763-V765 VanDerWaalsContact C-N 3.34Å; V763-V765 PolarHBondContact O-N 3.1Å; V763-Q766 PolarHBondContact O-N 2.88Å; V763-Y767 HydrophobicContact CG2-CD1 4.36Å; V763-Y767 HydrophobicContact CG2-CD2 4.25Å; V763-Y767 HydrophobicContact CG2-CE1 3.85Å; V763-Y767 HydrophobicContact CG2-CE2 3.72Å; V763-Y767 VanDerWaalsContact CG2-CZ 3.49Å; V763-Y767 WeakPolarHBondContact O-CB 3.38Å; V763-Y767 VanDerWaalsContact O-CG 3.3Å; V763-Y767 PolarHBondContact O-N 2.83Å
764	R	90.4	Very high	89.5	Confident	53 Å²	53	65.9 Å²	65.9	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-42.4	177.1	-64.3	169.8	-74.8	-173.8	-6.6	110.9	D762 Y767 L768 L824	D762-R764 PolarHBondContact O-N 2.79Å; D762-R764 VanDerWaalsContact OD1-CB 3.29Å; D762-R764 WeakPolarHBondContact OD1-CB 3.3Å; D762-R764 WeakPolarHBondContact OD1-CG 3.4Å; D762-R764 IonicContact OD1-CZ 2.67Å; D762-R764 PolarHBondContact OD1-N 3.44Å; D762-R764 IonicContact OD1-NE 3.47Å; D762-R764 PolarHBondContact OD1-NE 3.42Å; D762-R764 IonicContact OD1-NH2 3.63Å; D762-R764 IonicContact OD2-CZ 2.57Å; D762-R764 IonicContact OD2-NE 2.61Å; D762-R764 PolarHBondContact OD2-NE 3.02Å; D762-R764 IonicContact OD2-NH2 3.89Å; D762-R764 PolarHBondContact OD2-NH2 3.37Å; R764-Y767 PolarHBondContact O-N 2.87Å; R764-L768 WeakPolarHBondContact O-CB 3.22Å; R764-L768 PolarHBondContact O-N 3.14Å; R764-L824 HydrophobicContact CB-CD2 3.89Å; R764-L824 HydrophobicContact CB-CG 4.44Å
765	V	92.5	Very high	89.7	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-41.1	177	175.7	0	0	0	0	110.6	Y755 L758 D762 V763 L768 W769	Y755-V765 HydrophobicContact CD1-CG1 4.2Å; Y755-V765 HydrophobicContact CD1-CG2 3.81Å; Y755-V765 HydrophobicContact CE1-CB 4.3Å; Y755-V765 HydrophobicContact CE1-CG1 3.42Å; Y755-V765 VanDerWaalsContact CE1-CG1 3.42Å; Y755-V765 HydrophobicContact CE1-CG2 3.84Å; L758-V765 HydrophobicContact CB-CG2 4.36Å; L758-V765 HydrophobicContact CD1-CG2 4.31Å; D762-V765 HydrophobicContact CB-CB 4.44Å; D762-V765 HydrophobicContact CB-CG2 4.14Å; D762-V765 WeakPolarHBondContact O-CB 3.45Å; D762-V765 PolarHBondContact O-N 2.72Å; V763-V765 VanDerWaalsContact C-N 3.34Å; V763-V765 PolarHBondContact O-N 3.1Å; V765-L768 WeakPolarHBondContact O-CB 2.94Å; V765-L768 PolarHBondContact O-N 3.48Å; V765-W769 PolarHBondContact O-N 2.85Å; V765-W769 VanDerWaalsContact O-N 3.12Å
766	Q	93.4	Very high	89.8	Confident	108 Å²	108	61.2 Å²	61.2	51%	0.505	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-46.6	174.6	-64.6	178.6	22.6	0	0	111.5	S761 D762 V763 L768 W769 E770	S761-Q766 PolarHBondContact O-NE2 2.81Å; D762-Q766 WeakPolarHBondContact O-CG 3.23Å; D762-Q766 PolarHBondContact O-N 3.26Å; V763-Q766 PolarHBondContact O-N 2.88Å; Q766-L768 PolarHBondContact O-N 2.81Å; Q766-W769 PolarHBondContact O-N 3.03Å; Q766-E770 PolarHBondContact O-N 2.96Å
767	Y	95.2	Very high	90	Very high	62 Å²	62	60.3 Å²	60.3	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-38.7	177.3	-70.8	-9.2	0	0	0	113.2	V763 R764 A771 A830	V763-Y767 HydrophobicContact CG2-CD1 4.36Å; V763-Y767 HydrophobicContact CG2-CD2 4.25Å; V763-Y767 HydrophobicContact CG2-CE1 3.85Å; V763-Y767 HydrophobicContact CG2-CE2 3.72Å; V763-Y767 VanDerWaalsContact CG2-CZ 3.49Å; V763-Y767 WeakPolarHBondContact O-CB 3.38Å; V763-Y767 VanDerWaalsContact O-CG 3.3Å; V763-Y767 PolarHBondContact O-N 2.83Å; R764-Y767 PolarHBondContact O-N 2.87Å; Y767-A771 VanDerWaalsContact O-CB 3.3Å; Y767-A771 WeakPolarHBondContact O-CB 3.39Å; Y767-A771 PolarHBondContact O-N 2.9Å; Y767-A830 HydrophobicContact CD1-CB 3.78Å; Y767-A830 HydrophobicContact CE1-CB 4.47Å; Y767-A830 HydrophobicContact CG-CB 4.09Å
768	L	94.9	Very high	90.1	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-57.1	-49.2	172.5	173.9	65.2	0	0	0	111.1	R764 V765 Q766 A771 L772 F783 V799 L822 L824 L837	R764-L768 WeakPolarHBondContact O-CB 3.22Å; R764-L768 PolarHBondContact O-N 3.14Å; V765-L768 WeakPolarHBondContact O-CB 2.94Å; V765-L768 PolarHBondContact O-N 3.48Å; Q766-L768 PolarHBondContact O-N 2.81Å; L768-A771 PolarHBondContact O-N 2.7Å; L768-L772 HydrophobicContact CD1-CD1 3.85Å; L768-L772 HydrophobicContact CD1-CG 4.13Å; L768-L772 HydrophobicContact CG-CD1 4.03Å; L768-L772 WeakPolarHBondContact O-CB 3.46Å; L768-L772 VanDerWaalsContact O-CG 3.32Å; L768-L772 WeakPolarHBondContact O-CG 3.42Å; L768-L772 PolarHBondContact O-N 3.47Å; L768-F783 HydrophobicContact CD1-CZ 4.35Å; L768-V799 HydrophobicContact CD2-CG2 4.25Å; L768-L822 HydrophobicContact CD1-CD2 4.24Å; L768-L822 HydrophobicContact CD2-CD2 4.4Å; L768-L824 HydrophobicContact CB-CD2 4.04Å; L768-L824 HydrophobicContact CD2-CD2 4.26Å; L768-L837 HydrophobicContact CD1-CD1 3.59Å; L768-L837 HydrophobicContact CD1-CD2 4.5Å
769	W	95.5	Very high	90.4	Very high	19 Å²	19	58.3 Å²	58.3	7%	0.072	30%	0.298	C	S	.	.	H	α-helix	trans	-72.3	-32.9	-177.3	-68.6	120.4	0	0	0	113.8	V746 L749 K750 T753 Y755 V765 Q766 L772 S773	V746-W769 HydrophobicContact CG1-CE3 3.76Å; V746-W769 HydrophobicContact CG1-CZ3 4.2Å; L749-W769 HydrophobicContact CB-CH2 3.97Å; L749-W769 HydrophobicContact CB-CZ3 3.76Å; K750-W769 VanDerWaalsContact CA-CH2 3.44Å; K750-W769 HydrophobicContact CB-CH2 4.09Å; K750-W769 HydrophobicContact CB-CZ2 4.19Å; K750-W769 HydrophobicContact CB-CZ3 4.41Å; K750-W769 HydrophobicContact CD-CD2 4.11Å; K750-W769 HydrophobicContact CD-CE3 4.21Å; K750-W769 HydrophobicContact CG-CD2 3.56Å; K750-W769 HydrophobicContact CG-CE3 3.55Å; K750-W769 HydrophobicContact CG-CG 4.38Å; K750-W769 HydrophobicContact CG-CH2 3.51Å; K750-W769 HydrophobicContact CG-CZ2 3.51Å; K750-W769 HydrophobicContact CG-CZ3 3.52Å; T753-W769 HydrophobicContact CG2-CZ2 4.09Å; T753-W769 WeakPolarHBondContact OG1-CH2 3.42Å; Y755-W769 AromaticContact CZ-NE1 3.88Å; Y755-W769 VanDerWaalsContact OH-CE2 3.31Å; Y755-W769 WeakPolarHBondContact OH-CZ2 3.28Å; Y755-W769 PolarHBondContact OH-NE1 2.99Å; V765-W769 PolarHBondContact O-N 2.85Å; V765-W769 VanDerWaalsContact O-N 3.12Å; Q766-W769 PolarHBondContact O-N 3.03Å; W769-L772 HydrophobicContact CE3-CB 4.43Å; W769-L772 HydrophobicContact CE3-CD1 3.83Å; W769-L772 HydrophobicContact CH2-CD1 4.46Å; W769-L772 HydrophobicContact CZ3-CD1 3.67Å; W769-S773 WeakPolarHBondContact O-CB 3.33Å; W769-S773 PolarHBondContact O-N 3.29Å; W769-S773 PolarHBondContact O-OG 3.02Å
770	E	94.8	Very high	91	Very high	107 Å²	107	53.6 Å²	53.6	50%	0.5	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-47.8	171.5	-171.6	177.4	160.5	0	0	110.5	Q766 L772 S773 N774 A830	Q766-E770 PolarHBondContact O-N 2.96Å; E770-L772 PolarHBondContact O-N 3.35Å; E770-S773 WeakPolarHBondContact O-CB 3.4Å; E770-S773 PolarHBondContact O-N 3.03Å; E770-N774 PolarHBondContact O-N 3.38Å; E770-A830 HydrophobicContact CB-CB 3.96Å; E770-A830 HydrophobicContact CG-CB 3.9Å; E770-A830 WeakPolarHBondContact OE2-CB 3.37Å
771	A	94.6	Very high	91.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-49.8	175.6	0	0	0	0	0	112.5	Y767 L768 S773 N774 F775 E834 L837	Y767-A771 VanDerWaalsContact O-CB 3.3Å; Y767-A771 WeakPolarHBondContact O-CB 3.39Å; Y767-A771 PolarHBondContact O-N 2.9Å; L768-A771 PolarHBondContact O-N 2.7Å; A771-S773 PolarHBondContact O-N 3.37Å; A771-N774 PolarHBondContact O-N 3.19Å; A771-N774 VanDerWaalsContact O-N 3.07Å; A771-F775 VanDerWaalsContact O-CD1 3.25Å; A771-F775 WeakPolarHBondContact O-CD1 3.38Å; A771-F775 PolarHBondContact O-N 3.24Å; A771-E834 HydrophobicContact CB-CB 3.68Å; A771-E834 HydrophobicContact CB-CG 4.14Å; A771-L837 HydrophobicContact CB-CD1 4.27Å
772	L	94.4	Very high	91.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-22.4	179.4	-67.9	176.9	0	0	0	113.4	L749 L768 W769 E770 N774 F775 F783	L749-L772 HydrophobicContact CD1-CD1 4.5Å; L768-L772 HydrophobicContact CD1-CD1 3.85Å; L768-L772 HydrophobicContact CD1-CG 4.13Å; L768-L772 HydrophobicContact CG-CD1 4.03Å; L768-L772 WeakPolarHBondContact O-CB 3.46Å; L768-L772 VanDerWaalsContact O-CG 3.32Å; L768-L772 WeakPolarHBondContact O-CG 3.42Å; L768-L772 PolarHBondContact O-N 3.47Å; W769-L772 HydrophobicContact CE3-CB 4.43Å; W769-L772 HydrophobicContact CE3-CD1 3.83Å; W769-L772 HydrophobicContact CH2-CD1 4.46Å; W769-L772 HydrophobicContact CZ3-CD1 3.67Å; E770-L772 PolarHBondContact O-N 3.35Å; L772-N774 VanDerWaalsContact C-N 3.33Å; L772-F775 HydrophobicContact CD2-CD2 3.64Å; L772-F775 HydrophobicContact CD2-CE2 3.8Å; L772-F775 HydrophobicContact CD2-CG 4.38Å; L772-F775 PolarHBondContact O-N 3.31Å; L772-F783 HydrophobicContact CD1-CD1 4.4Å; L772-F783 HydrophobicContact CD1-CE1 3.86Å; L772-F783 HydrophobicContact CD1-CZ 4.14Å; L772-F783 HydrophobicContact CD2-CB 4.44Å; L772-F783 HydrophobicContact CD2-CD1 3.72Å; L772-F783 HydrophobicContact CD2-CD2 4.2Å; L772-F783 HydrophobicContact CD2-CE1 3.96Å; L772-F783 HydrophobicContact CD2-CE2 4.42Å; L772-F783 HydrophobicContact CD2-CG 3.84Å; L772-F783 HydrophobicContact CD2-CZ 4.3Å
773	S	95.1	Very high	91.2	Very high	62 Å²	62	47.3 Å²	47.3	43%	0.434	24%	0.235	S	C	.	.	H	α-helix	trans	-73.8	-26.7	173.4	-58.1	0	0	0	0	112.4	W769 E770 A771	W769-S773 WeakPolarHBondContact O-CB 3.33Å; W769-S773 PolarHBondContact O-N 3.29Å; W769-S773 PolarHBondContact O-OG 3.02Å; E770-S773 WeakPolarHBondContact O-CB 3.4Å; E770-S773 PolarHBondContact O-N 3.03Å; A771-S773 PolarHBondContact O-N 3.37Å
774	N	93.4	Very high	91.1	Very high	96 Å²	96	44.3 Å²	44.3	51%	0.513	22%	0.217	S	C	.	.	H	α-helix	trans	-83.8	-14	174.4	-63.5	-23.1	0	0	0	113	E770 A771 L772 E834	E770-N774 PolarHBondContact O-N 3.38Å; A771-N774 PolarHBondContact O-N 3.19Å; A771-N774 VanDerWaalsContact O-N 3.07Å; L772-N774 VanDerWaalsContact C-N 3.33Å; N774-E834 WeakPolarHBondContact CB-OE2 3.42Å; N774-E834 PolarHBondContact ND2-OE2 3Å
775	F	92.6	Very high	90.6	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.018	22%	0.218	C	C	.	.	S	Bend	trans	-70.7	141.8	177.9	-81.5	16.1	0	0	0	111.8	A771 L772 D779 R780 F783 E834 L837 R838	A771-F775 VanDerWaalsContact O-CD1 3.25Å; A771-F775 WeakPolarHBondContact O-CD1 3.38Å; A771-F775 PolarHBondContact O-N 3.24Å; L772-F775 HydrophobicContact CD2-CD2 3.64Å; L772-F775 HydrophobicContact CD2-CE2 3.8Å; L772-F775 HydrophobicContact CD2-CG 4.38Å; L772-F775 PolarHBondContact O-N 3.31Å; F775-D779 HydrophobicContact CB-CB 3.59Å; F775-D779 HydrophobicContact CD1-CB 4.29Å; F775-D779 HydrophobicContact CD2-CB 3.61Å; F775-D779 HydrophobicContact CE2-CB 4.31Å; F775-D779 HydrophobicContact CG-CB 3.59Å; F775-R780 HydrophobicContact CB-CG 3.7Å; F775-R780 HydrophobicContact CD2-CG 4.35Å; F775-R780 PolarHBondContact O-NE 3.28Å; F775-R780 PolarHBondContact O-NH2 2.76Å; F775-F783 HydrophobicContact CD2-CB 4.48Å; F775-F783 HydrophobicContact CE2-CB 4.16Å; F775-E834 HydrophobicContact CD1-CG 4.06Å; F775-E834 HydrophobicContact CE1-CG 3.55Å; F775-L837 HydrophobicContact CZ-CB 3.95Å; F775-R838 HydrophobicContact CE1-CB 4.14Å; F775-R838 HydrophobicContact CZ-CB 3.91Å
776	T	88.9	Confident	90.2	Very high	77 Å²	77	45.3 Å²	45.3	47%	0.472	22%	0.221	S	C	.	.			trans	-65.7	169.2	164.6	67.1	0	0	0	0	110.6	E778 D779 R780	T776-E778 PolarHBondContact O-N 2.9Å; T776-E778 PolarHBondContact OG1-N 2.69Å; T776-D779 PolarHBondContact O-N 3.05Å; T776-D779 PolarHBondContact OG1-N 3.46Å; T776-D779 VanDerWaalsContact OG1-N 3.09Å; T776-R780 WeakPolarHBondContact O-CG 3.5Å; T776-R780 PolarHBondContact O-N 3.02Å; T776-R780 PolarHBondContact O-NE 2.93Å
777	N	85.9	Confident	89.8	Confident	63 Å²	63	40.2 Å²	40.2	34%	0.337	20%	0.197	S	C	.	.	H	α-helix	trans	-60.6	-36.5	173.4	-169.5	64.9	0	0	0	111.6	P742 I744 R780 S781	P742-N777 PolarHBondContact O-ND2 2.96Å; I744-N777 PolarHBondContact N-OD1 2.86Å; N777-R780 PolarHBondContact O-N 3.49Å; N777-S781 WeakPolarHBondContact O-CB 3.31Å; N777-S781 PolarHBondContact O-N 3.49Å
778	E	82.6	Confident	89	Confident	102 Å²	102	37.2 Å²	37.2	48%	0.477	19%	0.186	S	C	.	.	H	α-helix	trans	-64.5	-46.9	175.7	-168.9	-172.3	165.1	0	0	111.7	T776 R780 S781 R782	T776-E778 PolarHBondContact O-N 2.9Å; T776-E778 PolarHBondContact OG1-N 2.69Å; E778-R780 VanDerWaalsContact C-N 3.28Å; E778-R780 PolarHBondContact O-N 3.48Å; E778-S781 WeakPolarHBondContact O-CB 3.21Å; E778-S781 PolarHBondContact O-N 3.31Å; E778-S781 VanDerWaalsContact O-N 3.15Å; E778-R782 WeakPolarHBondContact O-CG 3.32Å; E778-R782 PolarHBondContact O-N 3.31Å; E778-R782 IonicContact OE1-CZ 3.19Å; E778-R782 IonicContact OE1-NE 2.68Å; E778-R782 PolarHBondContact OE1-NE 3.19Å; E778-R782 VanDerWaalsContact OE1-NE 3.12Å; E778-R782 IonicContact OE1-NH2 3.11Å; E778-R782 PolarHBondContact OE1-NH2 2.99Å
779	D	88.2	Confident	87.9	Confident	12 Å²	12	37.4 Å²	37.4	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-41.9	175.4	-78.7	-11.4	0	0	0	111	F775 T776 R782 F783 R838 Y842	F775-D779 HydrophobicContact CB-CB 3.59Å; F775-D779 HydrophobicContact CD1-CB 4.29Å; F775-D779 HydrophobicContact CD2-CB 3.61Å; F775-D779 HydrophobicContact CE2-CB 4.31Å; F775-D779 HydrophobicContact CG-CB 3.59Å; T776-D779 PolarHBondContact O-N 3.05Å; T776-D779 PolarHBondContact OG1-N 3.46Å; T776-D779 VanDerWaalsContact OG1-N 3.09Å; D779-R782 PolarHBondContact O-N 3.33Å; D779-F783 WeakPolarHBondContact O-CB 3.25Å; D779-F783 PolarHBondContact O-N 3.4Å; D779-R838 IonicContact OD2-CZ 2.95Å; D779-R838 IonicContact OD2-NE 2.64Å; D779-R838 PolarHBondContact OD2-NE 3.28Å; D779-R838 IonicContact OD2-NH2 3.41Å; D779-R838 PolarHBondContact OD2-NH2 2.67Å; D779-Y842 VanDerWaalsContact OD1-CE2 3.31Å; D779-Y842 WeakPolarHBondContact OD1-CE2 3.44Å; D779-Y842 PolarHBondContact OD1-OH 3Å
780	R	91.7	Very high	87	Confident	43 Å²	43	38.3 Å²	38.3	16%	0.162	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-37.2	176.1	-74.4	177.1	-105.1	157.6	-10.5	112.7	I744 L749 F775 T776 N777 E778 F783 L784	I744-R780 HydrophobicContact CB-CB 4.24Å; I744-R780 HydrophobicContact CG2-CB 4.05Å; I744-R780 VanDerWaalsContact O-CD 3.31Å; I744-R780 WeakPolarHBondContact O-CD 3.45Å; I744-R780 PolarHBondContact O-NH1 2.92Å; L749-R780 HydrophobicContact CD1-CG 4.34Å; F775-R780 HydrophobicContact CB-CG 3.7Å; F775-R780 HydrophobicContact CD2-CG 4.35Å; F775-R780 PolarHBondContact O-NE 3.28Å; F775-R780 PolarHBondContact O-NH2 2.76Å; T776-R780 WeakPolarHBondContact O-CG 3.5Å; T776-R780 PolarHBondContact O-N 3.02Å; T776-R780 PolarHBondContact O-NE 2.93Å; N777-R780 PolarHBondContact O-N 3.49Å; E778-R780 VanDerWaalsContact C-N 3.28Å; E778-R780 PolarHBondContact O-N 3.48Å; R780-F783 PolarHBondContact O-N 3.18Å; R780-L784 WeakPolarHBondContact O-CB 3.47Å; R780-L784 PolarHBondContact O-N 2.7Å
781	S	85.2	Confident	86.3	Confident	28 Å²	28	34.6 Å²	34.6	20%	0.196	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-44.4	174.8	-177.6	0	0	0	0	112.1	I744 N777 E778 L784 R785 S791	I744-S781 VanDerWaalsContact CD1-CA 3.49Å; N777-S781 WeakPolarHBondContact O-CB 3.31Å; N777-S781 PolarHBondContact O-N 3.49Å; E778-S781 WeakPolarHBondContact O-CB 3.21Å; E778-S781 PolarHBondContact O-N 3.31Å; E778-S781 VanDerWaalsContact O-N 3.15Å; S781-L784 PolarHBondContact O-N 3.2Å; S781-R785 PolarHBondContact O-N 3.15Å; S781-S791 PolarHBondContact OG-O 3.46Å
782	R	84.6	Confident	85.8	Confident	87 Å²	87	36 Å²	36	33%	0.328	18%	0.182	S	C	.	.	H	α-helix	trans	-64.1	-42.2	174.4	-69.1	174.5	-177.4	-104.4	3.7	111.9	E778 D779 L784 R785 F786 A841 Y842	E778-R782 WeakPolarHBondContact O-CG 3.32Å; E778-R782 PolarHBondContact O-N 3.31Å; E778-R782 IonicContact OE1-CZ 3.19Å; E778-R782 IonicContact OE1-NE 2.68Å; E778-R782 PolarHBondContact OE1-NE 3.19Å; E778-R782 VanDerWaalsContact OE1-NE 3.12Å; E778-R782 IonicContact OE1-NH2 3.11Å; E778-R782 PolarHBondContact OE1-NH2 2.99Å; D779-R782 PolarHBondContact O-N 3.33Å; R782-L784 PolarHBondContact O-N 2.94Å; R782-R785 PolarHBondContact O-N 3.17Å; R782-F786 PolarHBondContact O-N 2.89Å; R782-A841 HydrophobicContact CB-CB 4.16Å; R782-Y842 VanDerWaalsContact CZ-CE1 3.42Å
783	F	90.9	Very high	85.2	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-45.5	173.4	167.3	-100.2	0	0	0	112	L768 L772 F775 D779 R780 R785 F786 V787 I797 L822 L837	L768-F783 HydrophobicContact CD1-CZ 4.35Å; L772-F783 HydrophobicContact CD1-CD1 4.4Å; L772-F783 HydrophobicContact CD1-CE1 3.86Å; L772-F783 HydrophobicContact CD1-CZ 4.14Å; L772-F783 HydrophobicContact CD2-CB 4.44Å; L772-F783 HydrophobicContact CD2-CD1 3.72Å; L772-F783 HydrophobicContact CD2-CD2 4.2Å; L772-F783 HydrophobicContact CD2-CE1 3.96Å; L772-F783 HydrophobicContact CD2-CE2 4.42Å; L772-F783 HydrophobicContact CD2-CG 3.84Å; L772-F783 HydrophobicContact CD2-CZ 4.3Å; F775-F783 HydrophobicContact CD2-CB 4.48Å; F775-F783 HydrophobicContact CE2-CB 4.16Å; D779-F783 WeakPolarHBondContact O-CB 3.25Å; D779-F783 PolarHBondContact O-N 3.4Å; R780-F783 PolarHBondContact O-N 3.18Å; F783-R785 VanDerWaalsContact C-N 3.28Å; F783-R785 PolarHBondContact O-N 2.85Å; F783-F786 WeakPolarHBondContact O-CB 3.38Å; F783-F786 PolarHBondContact O-N 2.87Å; F783-V787 HydrophobicContact CD2-CG2 4.14Å; F783-V787 HydrophobicContact CE1-CG2 4.33Å; F783-V787 HydrophobicContact CE2-CG2 3.62Å; F783-V787 HydrophobicContact CZ-CG2 3.74Å; F783-V787 WeakPolarHBondContact O-CG2 3.49Å; F783-V787 PolarHBondContact O-N 2.76Å; F783-I797 HydrophobicContact CE1-CD1 4.45Å; F783-L822 HydrophobicContact CE2-CD2 3.98Å; F783-L822 HydrophobicContact CZ-CD2 3.99Å; F783-L837 HydrophobicContact CD2-CD2 4.21Å; F783-L837 HydrophobicContact CE2-CD2 3.87Å
784	L	87.3	Confident	84.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-41.5	177.2	-170.8	67.6	0	0	0	111.2	I744 L749 R780 S781 R782 V787 T788 R790 R792 L793 A795 I797	I744-L784 HydrophobicContact CD1-CD2 3.98Å; L749-L784 HydrophobicContact CD2-CD1 4.1Å; R780-L784 WeakPolarHBondContact O-CB 3.47Å; R780-L784 PolarHBondContact O-N 2.7Å; S781-L784 PolarHBondContact O-N 3.2Å; R782-L784 PolarHBondContact O-N 2.94Å; L784-V787 PolarHBondContact O-N 3.22Å; L784-T788 HydrophobicContact CD1-CG2 3.96Å; L784-T788 WeakPolarHBondContact O-CB 3.37Å; L784-T788 PolarHBondContact O-N 2.67Å; L784-T788 PolarHBondContact O-OG1 2.78Å; L784-R790 CarbonylContact C-O 3.5Å; L784-R790 VanDerWaalsContact CG-O 3.25Å; L784-R790 WeakPolarHBondContact CG-O 3.41Å; L784-R792 VanDerWaalsContact CD2-C 3.44Å; L784-R792 WeakPolarHBondContact CD2-O 3.48Å; L784-L793 HydrophobicContact CD1-CD2 3.96Å; L784-L793 HydrophobicContact CD2-CD2 3.74Å; L784-L793 HydrophobicContact CD2-CG 4.12Å; L784-A795 HydrophobicContact CD1-CB 4.18Å; L784-I797 HydrophobicContact CD1-CD1 3.83Å; L784-I797 HydrophobicContact CD1-CG1 4.32Å
785	R	81.4	Confident	83.8	Confident	60 Å²	60	31.8 Å²	31.8	23%	0.226	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-43.9	176.5	-177.3	177.2	174	137.8	2.2	111.1	D547 S781 R782 F783 V787 G789 R790	D547-R785 IonicContact OD1-NH2 3.48Å; S781-R785 PolarHBondContact O-N 3.15Å; R782-R785 PolarHBondContact O-N 3.17Å; F783-R785 VanDerWaalsContact C-N 3.28Å; F783-R785 PolarHBondContact O-N 2.85Å; R785-V787 VanDerWaalsContact C-N 3.28Å; R785-V787 PolarHBondContact O-N 2.81Å; R785-G789 VanDerWaalsContact O-CA 3.22Å; R785-G789 WeakPolarHBondContact O-CA 3.37Å; R785-G789 PolarHBondContact O-N 3.08Å; R785-R790 WeakPolarHBondContact CA-O 3.41Å; R785-R790 PolarHBondContact N-O 3.31Å
786	F	84.6	Confident	83.3	Confident	15 Å²	15	34.4 Å²	34.4	7%	0.066	18%	0.176	C	C	.	.	H	α-helix	trans	-57.4	-40.6	176.1	169.1	-108.3	0	0	0	112.3	R782 F783 P813 S815 T817 L822 A840 A841 C844	R782-F786 PolarHBondContact O-N 2.89Å; F783-F786 WeakPolarHBondContact O-CB 3.38Å; F783-F786 PolarHBondContact O-N 2.87Å; F786-P813 HydrophobicContact CE1-CB 4.4Å; F786-P813 HydrophobicContact CE1-CG 4.25Å; F786-P813 HydrophobicContact CZ-CG 4.39Å; F786-P813 WeakPolarHBondContact CZ-O 3.01Å; F786-S815 WeakPolarHBondContact CE2-OG 3.3Å; F786-S815 WeakPolarHBondContact O-CB 3.43Å; F786-S815 PolarHBondContact O-OG 2.8Å; F786-T817 WeakPolarHBondContact O-CG2 3.44Å; F786-L822 HydrophobicContact CE1-CD1 3.96Å; F786-A840 HydrophobicContact CD2-CB 4.48Å; F786-A840 HydrophobicContact CE1-CB 4.23Å; F786-A840 HydrophobicContact CE2-CB 4.02Å; F786-A840 HydrophobicContact CZ-CB 3.89Å; F786-A841 HydrophobicContact CB-CB 4.35Å; F786-C844 HydrophobicContact CD2-CB 3.98Å; F786-C844 HydrophobicContact CE2-CB 3.89Å
787	V	84.1	Confident	83.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-84.6	-35.1	-177	-179.2	0	0	0	0	113.3	F783 L784 R785 I797 T817 S820 L822	F783-V787 HydrophobicContact CD2-CG2 4.14Å; F783-V787 HydrophobicContact CE1-CG2 4.33Å; F783-V787 HydrophobicContact CE2-CG2 3.62Å; F783-V787 HydrophobicContact CZ-CG2 3.74Å; F783-V787 WeakPolarHBondContact O-CG2 3.49Å; F783-V787 PolarHBondContact O-N 2.76Å; L784-V787 PolarHBondContact O-N 3.22Å; R785-V787 VanDerWaalsContact C-N 3.28Å; R785-V787 PolarHBondContact O-N 2.81Å; V787-I797 HydrophobicContact CG1-CG1 4.49Å; V787-I797 HydrophobicContact CG1-CG2 3.91Å; V787-T817 WeakPolarHBondContact O-CA 3.5Å; V787-S820 WeakPolarHBondContact O-CA 3.27Å; V787-L822 HydrophobicContact CG1-CB 3.97Å; V787-L822 HydrophobicContact CG2-CB 4.14Å; V787-L822 HydrophobicContact CG2-CD1 4.13Å; V787-L822 HydrophobicContact CG2-CG 4.5Å
788	T	78.5	Confident	83.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-123.5	-10.1	-165.4	72.2	0	0	0	0	114.5	L784 R790 A795 I797	L784-T788 HydrophobicContact CD1-CG2 3.96Å; L784-T788 WeakPolarHBondContact O-CB 3.37Å; L784-T788 PolarHBondContact O-N 2.67Å; L784-T788 PolarHBondContact O-OG1 2.78Å; T788-R790 PolarHBondContact O-N 3.34Å; T788-R790 WeakPolarHBondContact OG1-CB 3.23Å; T788-R790 PolarHBondContact OG1-N 3.24Å; T788-R790 VanDerWaalsContact OG1-N 3.09Å; T788-R790 PolarHBondContact OG1-O 2.97Å; T788-A795 HydrophobicContact CG2-CB 3.92Å; T788-I797 HydrophobicContact CG2-CG1 3.99Å
789	G	72.1	Confident	83.5	Confident	5 Å²	5	27.3 Å²	27.3	5%	0.052	13%	0.132	C	C	.	.	S	Bend	trans	75.7	-4.1	-167.4	0	0	0	0	0	114.1	R785	R785-G789 VanDerWaalsContact O-CA 3.22Å; R785-G789 WeakPolarHBondContact O-CA 3.37Å; R785-G789 PolarHBondContact O-N 3.08Å
790	R	76.8	Confident	83.4	Confident	38 Å²	38	29.3 Å²	29.3	14%	0.143	14%	0.141	C	C	.	.			trans	-108.4	138.7	-177.6	-58.3	177.6	175.1	-163.2	-4.1	111.5	K607 D608 L784 R785 T788 P794	K607-R790 PolarHBondContact O-NH1 2.62Å; K607-R790 PolarHBondContact O-NH2 3.41Å; D608-R790 VanDerWaalsContact CG-NH2 3.32Å; D608-R790 IonicContact OD1-CZ 3.71Å; D608-R790 IonicContact OD1-NE 3.05Å; D608-R790 PolarHBondContact OD1-NE 2.93Å; D608-R790 IonicContact OD1-NH2 3.48Å; D608-R790 PolarHBondContact OD1-NH2 2.76Å; D608-R790 IonicContact OD2-NH2 3.14Å; L784-R790 CarbonylContact C-O 3.5Å; L784-R790 VanDerWaalsContact CG-O 3.25Å; L784-R790 WeakPolarHBondContact CG-O 3.41Å; R785-R790 WeakPolarHBondContact CA-O 3.41Å; R785-R790 PolarHBondContact N-O 3.31Å; T788-R790 PolarHBondContact O-N 3.34Å; T788-R790 WeakPolarHBondContact OG1-CB 3.23Å; T788-R790 PolarHBondContact OG1-N 3.24Å; T788-R790 VanDerWaalsContact OG1-N 3.09Å; T788-R790 PolarHBondContact OG1-O 2.97Å; R790-P794 PolarHBondContact NH1-O 3.14Å
791	S	79.7	Confident	83.1	Confident	29 Å²	29	29 Å²	29	20%	0.203	14%	0.144	C	C	.	.	S	Bend	trans	-93.6	-5.1	177.5	52.5	0	0	0	0	113.9	I744 S781	I744-S791 WeakPolarHBondContact CD1-O 3.46Å; S781-S791 PolarHBondContact OG-O 3.46Å
792	R	83.8	Confident	82.9	Confident	30 Å²	30	28.6 Å²	28.6	11%	0.113	14%	0.14	C	C	.	.	S	Bend	trans	-136.9	154.4	179.8	-63.4	-154.7	-174	179.7	1.3	111.9	V611 E735 C739 G740 D741 L784	V611-R792 HydrophobicContact CG1-CG 4.38Å; V611-R792 HydrophobicContact CG2-CG 4.35Å; E735-R792 IonicContact OE1-NH1 3.34Å; C739-R792 WeakPolarHBondContact O-CB 3.44Å; C739-R792 WeakPolarHBondContact O-CD 3.49Å; G740-R792 WeakPolarHBondContact O-CD 3.25Å; G740-R792 PolarHBondContact O-NH1 3.34Å; D741-R792 WeakPolarHBondContact O-CB 3.17Å; D741-R792 WeakPolarHBondContact O-CD 3.2Å; L784-R792 VanDerWaalsContact CD2-C 3.44Å; L784-R792 WeakPolarHBondContact CD2-O 3.48Å
793	L	82.5	Confident	82	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-81.6	160.7	176.6	-70.4	-178.9	0	0	0	111.6	G740 D741 I744 A748 L749 L752 L784	G740-L793 CarbonylContact C-O 3.51Å; G740-L793 VanDerWaalsContact CA-O 3.26Å; G740-L793 WeakPolarHBondContact CA-O 3.47Å; D741-L793 HydrophobicContact CB-CB 4.13Å; D741-L793 PolarHBondContact N-O 2.93Å; I744-L793 HydrophobicContact CG1-CG 4.35Å; I744-L793 HydrophobicContact CG2-CD1 4.06Å; I744-L793 HydrophobicContact CG2-CG 4.3Å; A748-L793 HydrophobicContact CB-CD1 3.63Å; L749-L793 HydrophobicContact CD2-CD2 4.15Å; L752-L793 HydrophobicContact CD1-CB 4.46Å; L752-L793 HydrophobicContact CD1-CD1 4.17Å; L752-L793 HydrophobicContact CD1-CD2 3.65Å; L752-L793 HydrophobicContact CD1-CG 4.31Å; L784-L793 HydrophobicContact CD1-CD2 3.96Å; L784-L793 HydrophobicContact CD2-CD2 3.74Å; L784-L793 HydrophobicContact CD2-CG 4.12Å
794	P	80.6	Confident	80.6	Confident	67 Å²	67	37 Å²	37	44%	0.435	18%	0.181	S	C	.	.			cis	-77.8	140.3	-4.2	29.7	-37.7	0	0	0	114.4	F609 L752 R790	F609-P794 HydrophobicContact CZ-CG 4.35Å; L752-P794 HydrophobicContact CD1-CB 4.07Å; R790-P794 PolarHBondContact NH1-O 3.14Å
795	A	77.9	Confident	79.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.			trans	-143.2	127.5	164	0	0	0	0	0	108.6	L784 T788	L784-A795 HydrophobicContact CD1-CB 4.18Å; T788-A795 HydrophobicContact CG2-CB 3.92Å
796	P	81.5	Confident	77.9	Confident	60 Å²	60	40.2 Å²	40.2	39%	0.39	22%	0.219	S	C	.	.			trans	-65.5	143.5	172.7	29.2	-33.3	0	0	0	109	Y798 S820	P796-Y798 HydrophobicContact CB-CE2 4.01Å; P796-Y798 HydrophobicContact CG-CE2 4.34Å; P796-S820 WeakPolarHBondContact O-CB 3.49Å; P796-S820 PolarHBondContact O-OG 2.96Å
797	I	85.8	Confident	76.7	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127	176.6	-62.8	169.1	0	0	0	108.1	L749 L752 T753 R754 F783 L784 V787 T788 V799	L749-I797 HydrophobicContact CD2-CD1 3.89Å; L752-I797 PolarHBondContact O-N 3.46Å; T753-I797 CarbonylContact C-O 3.54Å; T753-I797 VanDerWaalsContact CA-O 3.28Å; T753-I797 WeakPolarHBondContact CA-O 3.46Å; T753-I797 HydrophobicContact CG2-CB 4.49Å; T753-I797 HydrophobicContact CG2-CG2 4.32Å; R754-I797 PolarHBondContact N-O 2.98Å; F783-I797 HydrophobicContact CE1-CD1 4.45Å; L784-I797 HydrophobicContact CD1-CD1 3.83Å; L784-I797 HydrophobicContact CD1-CG1 4.32Å; V787-I797 HydrophobicContact CG1-CG1 4.49Å; V787-I797 HydrophobicContact CG1-CG2 3.91Å; T788-I797 HydrophobicContact CG2-CG1 3.99Å; I797-V799 HydrophobicContact CG2-CG2 4.02Å
798	Y	85.9	Confident	75.6	Confident	88 Å²	88	48.9 Å²	48.9	35%	0.345	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.2	175.1	-59.6	-91.4	0	0	0	109.2	R754 E756 P796 S819 S820 T821 L822	R754-Y798 HydrophobicContact CB-CD1 3.88Å; R754-Y798 HydrophobicContact CB-CE1 4.11Å; R754-Y798 HydrophobicContact CG-CE1 4.28Å; R754-Y798 WeakPolarHBondContact O-CA 3.26Å; E756-Y798 HydrophobicContact CG-CD1 4.43Å; P796-Y798 HydrophobicContact CB-CE2 4.01Å; P796-Y798 HydrophobicContact CG-CE2 4.34Å; Y798-S819 VanDerWaalsContact CD2-O 3.23Å; Y798-S819 WeakPolarHBondContact CD2-O 3.29Å; Y798-S820 PolarHBondContact N-O 3.3Å; Y798-T821 CarbonylContact O-C 3.5Å; Y798-T821 VanDerWaalsContact O-CA 3.26Å; Y798-T821 WeakPolarHBondContact O-CA 3.49Å; Y798-L822 PolarHBondContact O-N 3.13Å
799	V	89.8	Confident	75.1	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.3	-179.5	-174.9	0	0	0	0	109	T753 R754 Y755 E756 L758 L768 I797 L822 L824	T753-V799 HydrophobicContact CG2-CG2 3.61Å; R754-V799 PolarHBondContact O-N 3.4Å; Y755-V799 HydrophobicContact CD1-CB 4.11Å; E756-V799 PolarHBondContact N-O 3.12Å; L758-V799 HydrophobicContact CD1-CG1 3.89Å; L768-V799 HydrophobicContact CD2-CG2 4.25Å; I797-V799 HydrophobicContact CG2-CG2 4.02Å; V799-L822 WeakPolarHBondContact CA-O 3.29Å; V799-L822 HydrophobicContact CG2-CD2 4.47Å; V799-L824 HydrophobicContact CG1-CB 3.99Å; V799-L824 HydrophobicContact CG1-CD2 4.12Å
800	F	87.4	Confident	75.4	Confident	55 Å²	55	57.6 Å²	57.6	24%	0.241	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.7	177	-77	-101.7	0	0	0	110.1	E756 T821 L822 Y823 L824	E756-F800 HydrophobicContact CB-CD1 3.74Å; E756-F800 HydrophobicContact CB-CD2 4.03Å; E756-F800 HydrophobicContact CB-CE1 3.34Å; E756-F800 HydrophobicContact CB-CE2 3.71Å; E756-F800 HydrophobicContact CB-CG 4.09Å; E756-F800 HydrophobicContact CB-CZ 3.34Å; E756-F800 HydrophobicContact CG-CD2 4.43Å; E756-F800 HydrophobicContact CG-CE1 4.05Å; E756-F800 HydrophobicContact CG-CE2 3.73Å; E756-F800 HydrophobicContact CG-CZ 3.51Å; F800-T821 HydrophobicContact CD2-CG2 3.4Å; F800-T821 VanDerWaalsContact CD2-CG2 3.4Å; F800-T821 HydrophobicContact CE2-CG2 3.86Å; F800-T821 HydrophobicContact CG-CG2 4.24Å; F800-L822 PolarHBondContact N-O 3.49Å; F800-Y823 HydrophobicContact CB-CD1 3.68Å; F800-Y823 HydrophobicContact CB-CE1 3.82Å; F800-Y823 HydrophobicContact CG-CE1 4.17Å; F800-L824 PolarHBondContact O-N 3.07Å
801	P	85.6	Confident	75.7	Confident	36 Å²	36	57 Å²	57	23%	0.234	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	152.4	164.5	31	-33.8	0	0	0	110.2	E756 D757 L758	E756-P801 WeakPolarHBondContact O-CD 3.31Å; D757-P801 HydrophobicContact CB-CG 4.23Å; L758-P801 HydrophobicContact CD2-CB 4.3Å
802	D	80.1	Confident	76	Confident	20 Å²	20	59 Å²	59	11%	0.107	33%	0.327	C	S	.	.			trans	-56.8	139.9	173.3	-176.3	12.6	0	0	0	112.4	Q804 L824 P825	D802-Q804 PolarHBondContact O-N 3.25Å; D802-Q804 PolarHBondContact OD1-N 3.39Å; D802-L824 PolarHBondContact N-O 3.35Å; D802-P825 HydrophobicContact CB-CB 4.43Å; D802-P825 HydrophobicContact CB-CG 4.4Å
803	K	66.6	Low	76.2	Confident	141 Å²	141	57.8 Å²	57.8	61%	0.613	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.4	-177.7	-67.4	-179.3	-178.3	167	0	113	Y823	K803-Y823 HydrophobicContact CD-CE1 4.33Å; K803-Y823 VanDerWaalsContact CE-OH 3.23Å; K803-Y823 WeakPolarHBondContact CE-OH 3.4Å; K803-Y823 HydrophobicContact CG-CD1 4.1Å; K803-Y823 HydrophobicContact CG-CE1 4.15Å; K803-Y823 PolarHBondContact NZ-OH 3Å; K803-Y823 VanDerWaalsContact NZ-OH 3.13Å
804	Q	60.9	Low	76.4	Confident	127 Å²	127	61.9 Å²	61.9	59%	0.593	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.1	-172.8	-62.5	-176.8	8.9	0	0	114.9	D802	D802-Q804 PolarHBondContact O-N 3.25Å; D802-Q804 PolarHBondContact OD1-N 3.39Å
805	G	56.6	Low	76.6	Confident	44 Å²	44	60.4 Å²	60.4	45%	0.454	33%	0.334	S	S	.	.			trans	86.7	-178.3	178.3	0	0	0	0	0	114.7	D807	G805-D807 VanDerWaalsContact C-N 3.31Å; G805-D807 PolarHBondContact O-N 2.94Å
806	S	55.9	Low	76.7	Confident	82 Å²	82	62 Å²	62	57%	0.573	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.5	-165.6	63.5	0	0	0	0	117
807	D	58.6	Low	76.3	Confident	147 Å²	147	60.6 Å²	60.6	79%	0.786	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-7.9	-163.8	-66.6	-11.9	0	0	0	114	G805	G805-D807 VanDerWaalsContact C-N 3.31Å; G805-D807 PolarHBondContact O-N 2.94Å
808	T	61.6	Low	75.4	Confident	50 Å²	50	63.5 Å²	63.5	31%	0.307	36%	0.355	S	S	.	.			trans	-102.6	80.1	-178.5	43.9	0	0	0	0	111.9	D810	T808-D810 VanDerWaalsContact C-N 3.32Å; T808-D810 PolarHBondContact O-N 3.37Å
809	T	68.6	Low	74.7	Confident	71 Å²	71	61.8 Å²	61.8	44%	0.436	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.6	-178.6	56.4	0	0	0	0	114.8
810	D	77.9	Confident	74.4	Confident	118 Å²	118	62.4 Å²	62.4	63%	0.631	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-0.1	-178.2	-163.2	31.1	0	0	0	113.6	T808 K836	T808-D810 VanDerWaalsContact C-N 3.32Å; T808-D810 PolarHBondContact O-N 3.37Å; D810-K836 PolarHBondContact O-NZ 2.98Å; D810-K836 WeakPolarHBondContact OD1-CE 3.33Å; D810-K836 IonicContact OD1-NZ 3.5Å; D810-K836 PolarHBondContact OD1-NZ 3.39Å
811	A	82	Confident	74.3	Confident	26 Å²	26	60 Å²	60	22%	0.215	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.1	148.1	178.2	0	0	0	0	0	111.7	P825 Y827	A811-P825 HydrophobicContact CB-CG 4.38Å; A811-Y827 WeakPolarHBondContact O-CE1 3.23Å; A811-Y827 PolarHBondContact O-OH 2.96Å
812	L	86.7	Confident	74.6	Confident	69 Å²	69	58.3 Å²	58.3	36%	0.361	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-76.4	150	168	-74.3	172.8	0	0	0	109.6	K836 Y839	L812-K836 HydrophobicContact CD2-CB 4.44Å; L812-K836 HydrophobicContact CD2-CD 3.75Å; L812-Y839 HydrophobicContact CD1-CD1 3.93Å; L812-Y839 HydrophobicContact CD1-CE1 3.89Å; L812-Y839 HydrophobicContact CD2-CD1 3.68Å; L812-Y839 HydrophobicContact CD2-CE1 4.41Å; L812-Y839 HydrophobicContact CD2-CG 4.44Å; L812-Y839 HydrophobicContact CG-CD1 4.49Å
813	P	88.5	Confident	75.1	Confident	6 Å²	6	58.8 Å²	58.8	4%	0.039	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-64.9	146.6	173.3	29.2	-29.7	0	0	0	109.2	F786 L822 Y827 L837 A840	F786-P813 HydrophobicContact CE1-CB 4.4Å; F786-P813 HydrophobicContact CE1-CG 4.25Å; F786-P813 HydrophobicContact CZ-CG 4.39Å; F786-P813 WeakPolarHBondContact CZ-O 3.01Å; P813-L822 HydrophobicContact CB-CD1 4.01Å; P813-Y827 WeakPolarHBondContact CD-OH 3.42Å; P813-L837 HydrophobicContact CB-CD2 4.15Å; P813-L837 HydrophobicContact CG-CD2 3.9Å; P813-A840 HydrophobicContact CG-CB 3.68Å
814	Q	86.3	Confident	76.2	Confident	88 Å²	88	52.1 Å²	52.1	41%	0.411	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.9	176.2	-62.4	-176.5	-26.5	0	0	109.6	Y823	Q814-Y823 HydrophobicContact CB-CD2 4.15Å; Q814-Y823 PolarHBondContact N-O 2.88Å; Q814-Y823 PolarHBondContact O-N 3.3Å
815	S	84.7	Confident	77.6	Confident	37 Å²	37	46.1 Å²	46.1	26%	0.259	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	157.1	174.9	64.6	0	0	0	0	112.2	F786 T821	F786-S815 WeakPolarHBondContact CE2-OG 3.3Å; F786-S815 WeakPolarHBondContact O-CB 3.43Å; F786-S815 PolarHBondContact O-OG 2.8Å; S815-T821 CarbonylContact C-O 3.43Å; S815-T821 WeakPolarHBondContact CA-O 3.49Å; S815-T821 WeakPolarHBondContact CB-O 3.48Å
816	S	79.7	Confident	79.1	Confident	34 Å²	34	47 Å²	47	24%	0.238	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	95.5	166.2	-61.6	0	0	0	0	107.3	C818 S819 S820 T821	S816-C818 PolarHBondContact O-N 2.94Å; S816-S819 CarbonylContact O-C 3.49Å; S816-S819 PolarHBondContact O-N 2.95Å; S816-S819 PolarHBondContact O-OG 3.48Å; S816-S820 PolarHBondContact O-N 2.97Å; S816-T821 PolarHBondContact N-O 2.85Å; S816-T821 PolarHBondContact O-N 3.45Å
817	T	73.2	Confident	80.8	Confident	30 Å²	30	43.4 Å²	43.4	18%	0.184	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.4	-176.4	58.2	0	0	0	0	113	R542 F786 V787	R542-T817 PolarHBondContact NH2-O 3.44Å; F786-T817 WeakPolarHBondContact O-CG2 3.44Å; V787-T817 WeakPolarHBondContact O-CA 3.5Å
818	C	66.6	Low	82.2	Confident	63 Å²	63	40.5 Å²	40.5	43%	0.426	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-46.7	172.9	57.3	0	0	0	0	112.2	D536 R542 S816	D536-C818 HydrophobicContact CB-CB 4.49Å; R542-C818 PolarHBondContact NH2-O 3.39Å; S816-C818 PolarHBondContact O-N 2.94Å
819	S	72.3	Confident	83.7	Confident	52 Å²	52	40.2 Å²	40.2	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	9.5	179.4	58	0	0	0	0	113	Y798 S816 T821	Y798-S819 VanDerWaalsContact CD2-O 3.23Å; Y798-S819 WeakPolarHBondContact CD2-O 3.29Å; S816-S819 CarbonylContact O-C 3.49Å; S816-S819 PolarHBondContact O-N 2.95Å; S816-S819 PolarHBondContact O-OG 3.48Å; S819-T821 WeakPolarHBondContact CB-OG1 3.45Å; S819-T821 PolarHBondContact O-N 3.49Å; S819-T821 PolarHBondContact O-OG1 2.95Å; S819-T821 WeakPolarHBondContact OG-CB 3.22Å; S819-T821 PolarHBondContact OG-OG1 3.07Å
820	S	82.9	Confident	84.8	Confident	14 Å²	14	37.1 Å²	37.1	10%	0.098	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	41.3	-173.1	-60.9	0	0	0	0	113.1	V787 P796 Y798 S816	V787-S820 WeakPolarHBondContact O-CA 3.27Å; P796-S820 WeakPolarHBondContact O-CB 3.49Å; P796-S820 PolarHBondContact O-OG 2.96Å; Y798-S820 PolarHBondContact N-O 3.3Å; S816-S820 PolarHBondContact O-N 2.97Å
821	T	85.6	Confident	85.6	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.9	-171.8	-59.8	0	0	0	0	111.3	Y798 F800 S815 S816 S819 Y823	Y798-T821 CarbonylContact O-C 3.5Å; Y798-T821 VanDerWaalsContact O-CA 3.26Å; Y798-T821 WeakPolarHBondContact O-CA 3.49Å; F800-T821 HydrophobicContact CD2-CG2 3.4Å; F800-T821 VanDerWaalsContact CD2-CG2 3.4Å; F800-T821 HydrophobicContact CE2-CG2 3.86Å; F800-T821 HydrophobicContact CG-CG2 4.24Å; S815-T821 CarbonylContact C-O 3.43Å; S815-T821 WeakPolarHBondContact CA-O 3.49Å; S815-T821 WeakPolarHBondContact CB-O 3.48Å; S816-T821 PolarHBondContact N-O 2.85Å; S816-T821 PolarHBondContact O-N 3.45Å; S819-T821 WeakPolarHBondContact CB-OG1 3.45Å; S819-T821 PolarHBondContact O-N 3.49Å; S819-T821 PolarHBondContact O-OG1 2.95Å; S819-T821 WeakPolarHBondContact OG-CB 3.22Å; S819-T821 PolarHBondContact OG-OG1 3.07Å; T821-Y823 HydrophobicContact CG2-CD1 4.38Å; T821-Y823 HydrophobicContact CG2-CD2 4.3Å; T821-Y823 HydrophobicContact CG2-CE1 3.88Å; T821-Y823 HydrophobicContact CG2-CE2 3.84Å
822	L	91.3	Very high	86.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.3	167.6	175	67.4	0	0	0	108.8	L768 F783 F786 V787 Y798 V799 F800 P813	L768-L822 HydrophobicContact CD1-CD2 4.24Å; L768-L822 HydrophobicContact CD2-CD2 4.4Å; F783-L822 HydrophobicContact CE2-CD2 3.98Å; F783-L822 HydrophobicContact CZ-CD2 3.99Å; F786-L822 HydrophobicContact CE1-CD1 3.96Å; V787-L822 HydrophobicContact CG1-CB 3.97Å; V787-L822 HydrophobicContact CG2-CB 4.14Å; V787-L822 HydrophobicContact CG2-CD1 4.13Å; V787-L822 HydrophobicContact CG2-CG 4.5Å; Y798-L822 PolarHBondContact O-N 3.13Å; V799-L822 WeakPolarHBondContact CA-O 3.29Å; V799-L822 HydrophobicContact CG2-CD2 4.47Å; F800-L822 PolarHBondContact N-O 3.49Å; P813-L822 HydrophobicContact CB-CD1 4.01Å
823	Y	90	Very high	86.4	Confident	31 Å²	31	35.4 Å²	35.4	12%	0.122	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.7	166.9	-60.6	-73.9	0	0	0	108.1	F800 K803 Q814 T821 P825	F800-Y823 HydrophobicContact CB-CD1 3.68Å; F800-Y823 HydrophobicContact CB-CE1 3.82Å; F800-Y823 HydrophobicContact CG-CE1 4.17Å; K803-Y823 HydrophobicContact CD-CE1 4.33Å; K803-Y823 VanDerWaalsContact CE-OH 3.23Å; K803-Y823 WeakPolarHBondContact CE-OH 3.4Å; K803-Y823 HydrophobicContact CG-CD1 4.1Å; K803-Y823 HydrophobicContact CG-CE1 4.15Å; K803-Y823 PolarHBondContact NZ-OH 3Å; K803-Y823 VanDerWaalsContact NZ-OH 3.13Å; Q814-Y823 HydrophobicContact CB-CD2 4.15Å; Q814-Y823 PolarHBondContact N-O 2.88Å; Q814-Y823 PolarHBondContact O-N 3.3Å; T821-Y823 HydrophobicContact CG2-CD1 4.38Å; T821-Y823 HydrophobicContact CG2-CD2 4.3Å; T821-Y823 HydrophobicContact CG2-CE1 3.88Å; T821-Y823 HydrophobicContact CG2-CE2 3.84Å; Y823-P825 WeakPolarHBondContact O-CD 3.3Å
824	L	90.3	Very high	86.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.7	-171.8	-174.3	64.1	0	0	0	110.9	R764 L768 V799 F800 D802 Y827	R764-L824 HydrophobicContact CB-CD2 3.89Å; R764-L824 HydrophobicContact CB-CG 4.44Å; L768-L824 HydrophobicContact CB-CD2 4.04Å; L768-L824 HydrophobicContact CD2-CD2 4.26Å; V799-L824 HydrophobicContact CG1-CB 3.99Å; V799-L824 HydrophobicContact CG1-CD2 4.12Å; F800-L824 PolarHBondContact O-N 3.07Å; D802-L824 PolarHBondContact N-O 3.35Å; L824-Y827 HydrophobicContact CD1-CE2 4.08Å
825	P	90.2	Very high	87	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.213	C	C	.	.			trans	-66	159.7	174.9	-22.7	35.4	0	0	0	113	D802 A811 Y823 Y827	D802-P825 HydrophobicContact CB-CB 4.43Å; D802-P825 HydrophobicContact CB-CG 4.4Å; A811-P825 HydrophobicContact CB-CG 4.38Å; Y823-P825 WeakPolarHBondContact O-CD 3.3Å; P825-Y827 HydrophobicContact CB-CD1 4.43Å; P825-Y827 HydrophobicContact CB-CE1 3.89Å; P825-Y827 HydrophobicContact CB-CE2 4.22Å; P825-Y827 WeakPolarHBondContact CD-OH 3.22Å; P825-Y827 HydrophobicContact CG-CE1 4.23Å; P825-Y827 HydrophobicContact CG-CE2 4.33Å; P825-Y827 WeakPolarHBondContact CG-OH 3.46Å; P825-Y827 PolarHBondContact O-N 2.81Å; P825-Y827 VanDerWaalsContact O-N 3.1Å
826	N	88.6	Confident	87.4	Confident	62 Å²	62	37.6 Å²	37.6	33%	0.332	21%	0.209	S	C	.	.			trans	-82.8	84.4	176.5	-170.3	29.8	0	0	0	111.1
827	Y	90.7	Very high	88	Confident	7 Å²	7	36 Å²	36	3%	0.027	20%	0.198	C	C	.	.			trans	-75.2	147.3	-179.6	-61.7	-60	0	0	0	113	A811 P813 L824 P825 S829 V832 C833 K836	A811-Y827 WeakPolarHBondContact O-CE1 3.23Å; A811-Y827 PolarHBondContact O-OH 2.96Å; P813-Y827 WeakPolarHBondContact CD-OH 3.42Å; L824-Y827 HydrophobicContact CD1-CE2 4.08Å; P825-Y827 HydrophobicContact CB-CD1 4.43Å; P825-Y827 HydrophobicContact CB-CE1 3.89Å; P825-Y827 HydrophobicContact CB-CE2 4.22Å; P825-Y827 WeakPolarHBondContact CD-OH 3.22Å; P825-Y827 HydrophobicContact CG-CE1 4.23Å; P825-Y827 HydrophobicContact CG-CE2 4.33Å; P825-Y827 WeakPolarHBondContact CG-OH 3.46Å; P825-Y827 PolarHBondContact O-N 2.81Å; P825-Y827 VanDerWaalsContact O-N 3.1Å; Y827-S829 VanDerWaalsContact C-N 3.27Å; Y827-S829 PolarHBondContact O-N 2.88Å; Y827-V832 HydrophobicContact CD1-CG1 4.01Å; Y827-V832 HydrophobicContact CG-CG1 4.49Å; Y827-C833 HydrophobicContact CD2-CB 3.55Å; Y827-C833 HydrophobicContact CE2-CB 4.25Å; Y827-C833 HydrophobicContact CG-CB 4.1Å; Y827-K836 HydrophobicContact CD1-CG 4.39Å; Y827-K836 HydrophobicContact CE1-CB 3.93Å; Y827-K836 HydrophobicContact CE1-CG 3.78Å
828	P	89.4	Confident	88.9	Confident	86 Å²	86	37.5 Å²	37.5	56%	0.558	20%	0.201	S	C	*	.	S	Bend	trans	-74	-15.2	-178.1	30.2	-35.6	0	0	0	113.8	V832	P828-V832 HydrophobicContact CG-CB 4.26Å; P828-V832 HydrophobicContact CG-CG1 4.29Å; P828-V832 HydrophobicContact CG-CG2 4.1Å
829	S	92.7	Very high	90.1	Very high	43 Å²	43	40.7 Å²	40.7	30%	0.301	21%	0.205	S	C	.	.	S	Bend	trans	-159.8	160.3	175.2	66.2	0	0	0	0	111.8	Y827 K831 V832 C833	Y827-S829 VanDerWaalsContact C-N 3.27Å; Y827-S829 PolarHBondContact O-N 2.88Å; S829-K831 PolarHBondContact O-N 3.13Å; S829-V832 PolarHBondContact O-N 3.27Å; S829-V832 WeakPolarHBondContact OG-CG2 3.47Å; S829-V832 PolarHBondContact OG-N 2.92Å; S829-C833 PolarHBondContact O-N 3.5Å; S829-C833 VanDerWaalsContact O-N 3.07Å
830	A	92	Very high	90.8	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-36.4	172.5	0	0	0	0	0	112.9	Y767 E770 V832 C833 E834	Y767-A830 HydrophobicContact CD1-CB 3.78Å; Y767-A830 HydrophobicContact CE1-CB 4.47Å; Y767-A830 HydrophobicContact CG-CB 4.09Å; E770-A830 HydrophobicContact CB-CB 3.96Å; E770-A830 HydrophobicContact CG-CB 3.9Å; E770-A830 WeakPolarHBondContact OE2-CB 3.37Å; A830-V832 PolarHBondContact O-N 3.29Å; A830-C833 VanDerWaalsContact O-CB 3.32Å; A830-C833 WeakPolarHBondContact O-CB 3.18Å; A830-C833 PolarHBondContact O-N 3.07Å; A830-E834 WeakPolarHBondContact O-CB 3.19Å; A830-E834 PolarHBondContact O-N 3.38Å
831	K	93.6	Very high	90.9	Very high	138 Å²	138	38.1 Å²	38.1	60%	0.6	19%	0.187	S	C	*	.	H	α-helix	trans	-63.6	-42.5	177.7	-173.3	178	178.2	-176	0	112.6	S829 E834 E835	S829-K831 PolarHBondContact O-N 3.13Å; K831-E834 WeakPolarHBondContact O-CB 3.46Å; K831-E834 PolarHBondContact O-N 2.93Å; K831-E835 VanDerWaalsContact CE-OE1 3.24Å; K831-E835 WeakPolarHBondContact CE-OE1 3.49Å; K831-E835 WeakPolarHBondContact O-CG 3.42Å; K831-E835 PolarHBondContact O-N 3.24Å
832	V	92.6	Very high	90.7	Very high	38 Å²	38	41.8 Å²	41.8	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-39.8	176.3	174.8	0	0	0	0	110.5	Y827 P828 S829 A830 E834 E835 K836	Y827-V832 HydrophobicContact CD1-CG1 4.01Å; Y827-V832 HydrophobicContact CG-CG1 4.49Å; P828-V832 HydrophobicContact CG-CB 4.26Å; P828-V832 HydrophobicContact CG-CG1 4.29Å; P828-V832 HydrophobicContact CG-CG2 4.1Å; S829-V832 PolarHBondContact O-N 3.27Å; S829-V832 WeakPolarHBondContact OG-CG2 3.47Å; S829-V832 PolarHBondContact OG-N 2.92Å; A830-V832 PolarHBondContact O-N 3.29Å; V832-E834 VanDerWaalsContact C-N 3.31Å; V832-E834 PolarHBondContact O-N 3.49Å; V832-E835 PolarHBondContact O-N 2.87Å; V832-K836 HydrophobicContact CG1-CG 4.14Å; V832-K836 WeakPolarHBondContact O-CB 3.48Å; V832-K836 WeakPolarHBondContact O-CG 3.46Å; V832-K836 PolarHBondContact O-N 2.88Å
833	C	93.1	Very high	90.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-47.4	172.2	-172.9	0	0	0	0	111.1	Y827 S829 A830 K836 L837	Y827-C833 HydrophobicContact CD2-CB 3.55Å; Y827-C833 HydrophobicContact CE2-CB 4.25Å; Y827-C833 HydrophobicContact CG-CB 4.1Å; S829-C833 PolarHBondContact O-N 3.5Å; S829-C833 VanDerWaalsContact O-N 3.07Å; A830-C833 VanDerWaalsContact O-CB 3.32Å; A830-C833 WeakPolarHBondContact O-CB 3.18Å; A830-C833 PolarHBondContact O-N 3.07Å; C833-K836 PolarHBondContact O-N 3.41Å; C833-L837 VanDerWaalsContact O-CB 3.27Å; C833-L837 WeakPolarHBondContact O-CB 3.2Å; C833-L837 VanDerWaalsContact O-CG 3.22Å; C833-L837 WeakPolarHBondContact O-CG 3.38Å; C833-L837 PolarHBondContact O-N 3.01Å; C833-L837 WeakPolarHBondContact SG-CD1 3.32Å
834	E	94.4	Very high	89.2	Confident	32 Å²	32	47.5 Å²	47.5	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-50.7	177.7	-168.5	-166	134.1	0	0	112.4	A771 N774 F775 A830 K831 V832 K836 R838	A771-E834 HydrophobicContact CB-CB 3.68Å; A771-E834 HydrophobicContact CB-CG 4.14Å; N774-E834 WeakPolarHBondContact CB-OE2 3.42Å; N774-E834 PolarHBondContact ND2-OE2 3Å; F775-E834 HydrophobicContact CD1-CG 4.06Å; F775-E834 HydrophobicContact CE1-CG 3.55Å; A830-E834 WeakPolarHBondContact O-CB 3.19Å; A830-E834 PolarHBondContact O-N 3.38Å; K831-E834 WeakPolarHBondContact O-CB 3.46Å; K831-E834 PolarHBondContact O-N 2.93Å; V832-E834 VanDerWaalsContact C-N 3.31Å; V832-E834 PolarHBondContact O-N 3.49Å; E834-K836 PolarHBondContact O-N 3.31Å; E834-R838 VanDerWaalsContact O-CB 3.29Å; E834-R838 WeakPolarHBondContact O-CB 3.43Å; E834-R838 PolarHBondContact O-N 3.44Å; E834-R838 IonicContact OE1-CZ 2.88Å; E834-R838 VanDerWaalsContact OE1-CZ 3.27Å; E834-R838 IonicContact OE1-NH1 3Å; E834-R838 PolarHBondContact OE1-NH1 2.85Å; E834-R838 IonicContact OE1-NH2 2.69Å; E834-R838 PolarHBondContact OE1-NH2 3.32Å
835	E	93.1	Very high	87.7	Confident	102 Å²	102	52.2 Å²	52.2	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-44.2	179.3	-72.3	172	-173.5	0	0	111.8	K831 V832 Y839	K831-E835 VanDerWaalsContact CE-OE1 3.24Å; K831-E835 WeakPolarHBondContact CE-OE1 3.49Å; K831-E835 WeakPolarHBondContact O-CG 3.42Å; K831-E835 PolarHBondContact O-N 3.24Å; V832-E835 PolarHBondContact O-N 2.87Å; E835-Y839 WeakPolarHBondContact O-CB 3.24Å; E835-Y839 PolarHBondContact O-N 3.28Å
836	K	92.9	Very high	85.9	Confident	42 Å²	42	55.5 Å²	55.5	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-70.5	-42.2	-178.8	-67.6	-77.7	179.2	170.5	0	112.4	D810 L812 Y827 V832 C833 E834 Y839 A840	D810-K836 PolarHBondContact O-NZ 2.98Å; D810-K836 WeakPolarHBondContact OD1-CE 3.33Å; D810-K836 IonicContact OD1-NZ 3.5Å; D810-K836 PolarHBondContact OD1-NZ 3.39Å; L812-K836 HydrophobicContact CD2-CB 4.44Å; L812-K836 HydrophobicContact CD2-CD 3.75Å; Y827-K836 HydrophobicContact CD1-CG 4.39Å; Y827-K836 HydrophobicContact CE1-CB 3.93Å; Y827-K836 HydrophobicContact CE1-CG 3.78Å; V832-K836 HydrophobicContact CG1-CG 4.14Å; V832-K836 WeakPolarHBondContact O-CB 3.48Å; V832-K836 WeakPolarHBondContact O-CG 3.46Å; V832-K836 PolarHBondContact O-N 2.88Å; C833-K836 PolarHBondContact O-N 3.41Å; E834-K836 PolarHBondContact O-N 3.31Å; K836-Y839 PolarHBondContact O-N 3.07Å; K836-A840 WeakPolarHBondContact O-CB 3.43Å; K836-A840 PolarHBondContact O-N 3.5Å
837	L	92.9	Very high	84.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-45.3	175	-75.4	169.8	0	0	0	111.5	L768 A771 F775 F783 P813 C833 A840 A841	L768-L837 HydrophobicContact CD1-CD1 3.59Å; L768-L837 HydrophobicContact CD1-CD2 4.5Å; A771-L837 HydrophobicContact CB-CD1 4.27Å; F775-L837 HydrophobicContact CZ-CB 3.95Å; F783-L837 HydrophobicContact CD2-CD2 4.21Å; F783-L837 HydrophobicContact CE2-CD2 3.87Å; P813-L837 HydrophobicContact CB-CD2 4.15Å; P813-L837 HydrophobicContact CG-CD2 3.9Å; C833-L837 VanDerWaalsContact O-CB 3.27Å; C833-L837 WeakPolarHBondContact O-CB 3.2Å; C833-L837 VanDerWaalsContact O-CG 3.22Å; C833-L837 WeakPolarHBondContact O-CG 3.38Å; C833-L837 PolarHBondContact O-N 3.01Å; C833-L837 WeakPolarHBondContact SG-CD1 3.32Å; L837-A840 PolarHBondContact O-N 3.2Å; L837-A841 VanDerWaalsContact O-CB 3.29Å; L837-A841 WeakPolarHBondContact O-CB 3.38Å; L837-A841 PolarHBondContact O-N 3.33Å
838	R	92.4	Very high	82.3	Confident	63 Å²	63	61.7 Å²	61.7	24%	0.238	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-44.5	177.8	-170.3	178.5	-68.5	111.1	-4.6	110.4	F775 D779 E834 A840 A841 Y842	F775-R838 HydrophobicContact CE1-CB 4.14Å; F775-R838 HydrophobicContact CZ-CB 3.91Å; D779-R838 IonicContact OD2-CZ 2.95Å; D779-R838 IonicContact OD2-NE 2.64Å; D779-R838 PolarHBondContact OD2-NE 3.28Å; D779-R838 IonicContact OD2-NH2 3.41Å; D779-R838 PolarHBondContact OD2-NH2 2.67Å; E834-R838 VanDerWaalsContact O-CB 3.29Å; E834-R838 WeakPolarHBondContact O-CB 3.43Å; E834-R838 PolarHBondContact O-N 3.44Å; E834-R838 IonicContact OE1-CZ 2.88Å; E834-R838 VanDerWaalsContact OE1-CZ 3.27Å; E834-R838 IonicContact OE1-NH1 3Å; E834-R838 PolarHBondContact OE1-NH1 2.85Å; E834-R838 IonicContact OE1-NH2 2.69Å; E834-R838 PolarHBondContact OE1-NH2 3.32Å; R838-A840 PolarHBondContact O-N 3.31Å; R838-A841 PolarHBondContact O-N 3.25Å; R838-Y842 HydrophobicContact CG-CD2 3.92Å; R838-Y842 HydrophobicContact CG-CE2 3.78Å; R838-Y842 WeakPolarHBondContact O-CD2 3.34Å; R838-Y842 PolarHBondContact O-N 3.25Å; R838-Y842 VanDerWaalsContact O-N 3.14Å
839	Y	90.3	Very high	79.9	Confident	130 Å²	130	61.5 Å²	61.5	51%	0.51	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-49.7	176.6	-174.9	-88.8	0	0	0	112.1	L812 E835 K836 A841 Y842 N843	L812-Y839 HydrophobicContact CD1-CD1 3.93Å; L812-Y839 HydrophobicContact CD1-CE1 3.89Å; L812-Y839 HydrophobicContact CD2-CD1 3.68Å; L812-Y839 HydrophobicContact CD2-CE1 4.41Å; L812-Y839 HydrophobicContact CD2-CG 4.44Å; L812-Y839 HydrophobicContact CG-CD1 4.49Å; E835-Y839 WeakPolarHBondContact O-CB 3.24Å; E835-Y839 PolarHBondContact O-N 3.28Å; K836-Y839 PolarHBondContact O-N 3.07Å; Y839-A841 PolarHBondContact O-N 2.82Å; Y839-Y842 PolarHBondContact O-N 3.37Å; Y839-N843 WeakPolarHBondContact CD2-ND2 3.33Å; Y839-N843 HydrophobicContact CE1-CB 4.25Å; Y839-N843 WeakPolarHBondContact O-CB 3.29Å; Y839-N843 PolarHBondContact O-N 3.26Å; Y839-N843 VanDerWaalsContact O-N 3.08Å; Y839-N843 PolarHBondContact O-ND2 2.95Å
840	A	87.6	Confident	77.5	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-44.4	178.6	0	0	0	0	0	112	F786 P813 K836 L837 R838 Y842 N843 C844	F786-A840 HydrophobicContact CD2-CB 4.48Å; F786-A840 HydrophobicContact CE1-CB 4.23Å; F786-A840 HydrophobicContact CE2-CB 4.02Å; F786-A840 HydrophobicContact CZ-CB 3.89Å; P813-A840 HydrophobicContact CG-CB 3.68Å; K836-A840 WeakPolarHBondContact O-CB 3.43Å; K836-A840 PolarHBondContact O-N 3.5Å; L837-A840 PolarHBondContact O-N 3.2Å; R838-A840 PolarHBondContact O-N 3.31Å; A840-Y842 VanDerWaalsContact C-N 3.26Å; A840-Y842 PolarHBondContact O-N 3.36Å; A840-N843 PolarHBondContact O-N 2.73Å; A840-C844 VanDerWaalsContact O-CB 3.3Å; A840-C844 WeakPolarHBondContact O-CB 3.47Å; A840-C844 PolarHBondContact O-N 3.41Å
841	A	85.6	Confident	75	Confident	11 Å²	11	72.1 Å²	72.1	9%	0.091	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-28.9	-179.8	0	0	0	0	0	114.1	R782 F786 L837 R838 Y839	R782-A841 HydrophobicContact CB-CB 4.16Å; F786-A841 HydrophobicContact CB-CB 4.35Å; L837-A841 VanDerWaalsContact O-CB 3.29Å; L837-A841 WeakPolarHBondContact O-CB 3.38Å; L837-A841 PolarHBondContact O-N 3.33Å; R838-A841 PolarHBondContact O-N 3.25Å; Y839-A841 PolarHBondContact O-N 2.82Å
842	Y	81.7	Confident	72.3	Confident	82 Å²	82	68.3 Å²	68.3	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-90.7	-28.5	179	-83.1	-105	0	0	0	113.8	D779 R782 R838 Y839 A840	D779-Y842 VanDerWaalsContact OD1-CE2 3.31Å; D779-Y842 WeakPolarHBondContact OD1-CE2 3.44Å; D779-Y842 PolarHBondContact OD1-OH 3Å; R782-Y842 VanDerWaalsContact CZ-CE1 3.42Å; R838-Y842 HydrophobicContact CG-CD2 3.92Å; R838-Y842 HydrophobicContact CG-CE2 3.78Å; R838-Y842 WeakPolarHBondContact O-CD2 3.34Å; R838-Y842 PolarHBondContact O-N 3.25Å; R838-Y842 VanDerWaalsContact O-N 3.14Å; Y839-Y842 PolarHBondContact O-N 3.37Å; A840-Y842 VanDerWaalsContact C-N 3.26Å; A840-Y842 PolarHBondContact O-N 3.36Å
843	N	79.3	Confident	69.8	Low	93 Å²	93	72.1 Å²	72.1	50%	0.497	39%	0.39	S	S	.	.	H	α-helix	trans	-108	-23.1	-169.3	-63.5	-81.4	0	0	0	113.9	Y839 A840 V845	Y839-N843 WeakPolarHBondContact CD2-ND2 3.33Å; Y839-N843 HydrophobicContact CE1-CB 4.25Å; Y839-N843 WeakPolarHBondContact O-CB 3.29Å; Y839-N843 PolarHBondContact O-N 3.26Å; Y839-N843 VanDerWaalsContact O-N 3.08Å; Y839-N843 PolarHBondContact O-ND2 2.95Å; A840-N843 PolarHBondContact O-N 2.73Å; N843-V845 PolarHBondContact O-N 3.1Å
844	C	69.6	Low	67.6	Low	59 Å²	59	82.9 Å²	82.9	40%	0.399	43%	0.43	S	S	.	.			trans	-92.5	69.8	179.6	-61	0	0	0	0	111	F786 A840	F786-C844 HydrophobicContact CD2-CB 3.98Å; F786-C844 HydrophobicContact CE2-CB 3.89Å; A840-C844 VanDerWaalsContact O-CB 3.3Å; A840-C844 WeakPolarHBondContact O-CB 3.47Å; A840-C844 PolarHBondContact O-N 3.41Å
845	V	58.9	Low	64.9	Low	100 Å²	100	89 Å²	89	61%	0.606	46%	0.459	S	S	*	.			trans	-94.6	-17.1	-175.7	-167.1	0	0	0	0	112.9	N843	N843-V845 PolarHBondContact O-N 3.1Å
846	A	53.2	Low	62	Low	70 Å²	70	96.8 Å²	96.8	58%	0.579	50%	0.495	S	S	*	.	S	Bend	trans	-116.7	154.7	178.7	0	0	0	0	0	111.4	D848	A846-D848 PolarHBondContact O-N 2.85Å
847	I	54.7	Low	60.4	Low	57 Å²	57	99.6 Å²	99.6	29%	0.292	51%	0.511	S	S	.	.			trans	-76.9	109.6	175.9	-59.1	173	0	0	0	107.8	T849	I847-T849 PolarHBondContact O-N 2.82Å
848	D	48.3	Very low	58.7	Low	141 Å²	141	104.8 Å²	104.8	75%	0.754	54%	0.538	S	S	*	.			trans	-64	133	175	-95	-31.3	0	0	0	110.5	A846 D850	A846-D848 PolarHBondContact O-N 2.85Å; D848-D850 PolarHBondContact O-N 2.64Å
849	T	39.4	Very low	56.9	Low	82 Å²	82	107.1 Å²	107.1	50%	0.503	56%	0.555	S	S	.	*			trans	-70.5	90.8	-179.6	36.9	0	0	0	0	111.8	I847 M851	I847-T849 PolarHBondContact O-N 2.82Å; T849-M851 PolarHBondContact O-N 3.33Å
850	D	42.9	Very low	54.9	Low	137 Å²	137	105.8 Å²	105.8	73%	0.733	56%	0.557	S	S	*	*			trans	-85.2	88.9	152.4	-78.2	-12.4	0	0	0	107.8	D848 S852	D848-D850 PolarHBondContact O-N 2.64Å; D850-S852 PolarHBondContact O-N 3.4Å
851	M	37.8	Very low	52.9	Low	137 Å²	137	112.4 Å²	112.4	68%	0.675	59%	0.592	S	S	*	*			trans	-58.1	124.8	166.7	-67.7	-73.4	-96.9	0	0	107.8	T849	T849-M851 PolarHBondContact O-N 3.33Å
852	S	36.7	Very low	50.7	Low	57 Å²	57	119.1 Å²	119.1	40%	0.399	63%	0.625	S	S	.	*			trans	-52.8	130.7	166.9	172.3	0	0	0	0	108.4	D850 W854 E855	D850-S852 PolarHBondContact O-N 3.4Å; S852-W854 PolarHBondContact O-N 3.32Å; S852-W854 PolarHBondContact OG-N 3.25Å; S852-E855 PolarHBondContact O-N 3.46Å
853	P	41.7	Very low	48.5	Very low	119 Å²	119	121.8 Å²	121.8	77%	0.773	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-1.9	175.3	-21	31	0	0	0	114.3
854	W	46.7	Very low	46.1	Very low	227 Å²	227	124 Å²	124	86%	0.86	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	0.9	-172.7	-53.3	98.3	0	0	0	113.8	S852	S852-W854 PolarHBondContact O-N 3.32Å; S852-W854 PolarHBondContact OG-N 3.25Å
855	E	36.7	Very low	44.1	Very low	161 Å²	161	129.4 Å²	129.4	75%	0.752	68%	0.68	S	S	*	*			trans	-117.1	80	171.8	-68	-169.7	168.4	0	0	110.1	S852	S852-E855 PolarHBondContact O-N 3.46Å
856	E	32.5	Very low	42.8	Very low	265 Å²	265	132.1 Å²	132.1	100%	1.238	69%	0.687	S	S	*	*			trans	-98.8	0	156.2	-86.1	-170.5	166.8	0	0	110.7

Retrieved 856 of 856 residues in 1932.6 ms (Link to these results)

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