A0A077ZFU3_TRITR Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZFU3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,087 aa.

						>A0A077ZFU3_TRITR|A0A077ZFU3
MLRVALTVLIVAFSAAAFPTSRRNLTVEEEEQIEASVKVYQTELKKCIENNCGTEVDIIDKMAKPTFHLDSHISVDCIKDCFMDTITPAAATAERIYKKAGWEEPVTEIKQMIKYAEAVFESRKKAKAIPRNPYFSSMDEPRERNALRPSKTTFLNVPETSPISTPHKSGWNLTDAEEEEIRASFLVCKEEMKECCVNKCGAEDRVMDKMFEPTYHLENNINVDCIKDCFMDKLKLTENEQKELDAAQNEYNKRFQTCLDQQCVSIQDAILQLQRQRAKVEEFTHLGNRYMNCTEACQKKQRTSSIPLLDLNTSIMRTLLARDTLDNRDALEEARDREDSNVLHLSLILQSQYFCDGKDRYLLHEAEKLLERSEVYSDLLEMQSTDEIDAALEYWDKVKSDVARISLLLLQADNSTVRHCPGDSLWSSTANIVRSPNAYNSTSQRWTTKNRPRFLATELATRERLLIASLSSRDGLSSFGFALANATKPMQAAILYYVGKEVTTNRRDVVSLLEPNALSMLESVARNKADAFDFYLLIPEASYVNAFALDKLLRTMTAGDHLLLGFAKPGSQCTFESGILFSNSALKALAPRLVHCTSLNKPNTGRYPYSIEQCIRDYGDTLQCVVEWKGQPLLSAKFDENGDHRDNYSSDILTVTRATSVEQHRRLNALFADYELSLLKEQLDLLSNEIMELYSDNNETIALPLGLSEPWKSVKRHDLLLWDFFDEQNMYDVSNQWNVAPLSPAERSDINSITAYAVRWLQSNRKTEGLQFRKLLSGYRRFDPVRGMEYTVDLEFNDAAGRLSTRRIYLLRSLGKATILPVPFVTEARSVTLVLPVTVDDIEAASEFLTDFRKSYLETGENCKLVALLLMKHDATEYALFRPIMQTLNVWRLKLRSTARSEHVVYFTLKVQRHSLQSVLDFFVQRLRQPELIFLVSPWLEVNTEMLNRVRLSTIEKFQVFFPVPFIRYSTEFAPTTAANKDPKSQFNINRDSGHFDLLSFDLASFYSSDYLRARTLLTSKNHLFYLFCTAGQVHVLRVVDSAFRLRHPNRHCESRTDNVERDQCIVQENESLGSKAQLASFLFSRS
					

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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	47.6	Very low	48.6	Very low	67 Å²	67	57.4 Å²	57.4	33%	0.33	28%	0.277	S	S	.	.				0	-164.1	0	-50.2	-30.5	-69.3	0	0	110.4	R3 V4 A5 I78 F82 F120	M1-R3 PolarHBondContact O-N 3.37Å; M1-R3 VanDerWaalsContact O-N 3.09Å; M1-V4 WeakPolarHBondContact O-CA 3.29Å; M1-V4 WeakPolarHBondContact O-CB 3.46Å; M1-V4 PolarHBondContact O-N 3.25Å; M1-A5 PolarHBondContact O-N 3.34Å; M1-A5 VanDerWaalsContact O-N 3.08Å; M1-I78 HydrophobicContact CE-CG2 4.05Å; M1-F82 VanDerWaalsContact CA-CE2 3.45Å; M1-F82 VanDerWaalsContact CA-CZ 3.44Å; M1-F82 HydrophobicContact CE-CB 4.11Å; M1-F82 HydrophobicContact CE-CD1 4.33Å; M1-F82 HydrophobicContact CE-CD2 3.48Å; M1-F82 VanDerWaalsContact CE-CD2 3.48Å; M1-F82 HydrophobicContact CE-CE2 3.92Å; M1-F82 HydrophobicContact CE-CG 3.72Å; M1-F82 HydrophobicContact CE-CZ 4.5Å; M1-F82 VanDerWaalsContact N-CZ 3.3Å; M1-F82 HydrophobicContact SD-CD1 4.26Å; M1-F82 HydrophobicContact SD-CD2 4.25Å; M1-F82 HydrophobicContact SD-CE1 4.27Å; M1-F82 HydrophobicContact SD-CE2 4.27Å; M1-F82 HydrophobicContact SD-CG 4.25Å; M1-F82 HydrophobicContact SD-CZ 4.28Å; M1-F120 HydrophobicContact CE-CE1 4.25Å; M1-F120 HydrophobicContact CE-CE2 4.17Å; M1-F120 HydrophobicContact CE-CZ 3.47Å; M1-F120 VanDerWaalsContact CE-CZ 3.47Å; M1-F120 HydrophobicContact SD-CD2 4.46Å; M1-F120 HydrophobicContact SD-CE1 4.09Å; M1-F120 HydrophobicContact SD-CE2 3.54Å; M1-F120 VanDerWaalsContact SD-CE2 3.54Å; M1-F120 HydrophobicContact SD-CZ 3.33Å; M1-F120 WeakPolarHBondContact SD-CZ 3.41Å
2	L	42.2	Very low	48.7	Very low	70 Å²	70	52.8 Å²	52.8	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-47.5	-44.7	-160.1	-127.2	159.3	0	0	0	116.2	V4 A5 L6 I59	L2-V4 PolarHBondContact O-N 3.28Å; L2-A5 PolarHBondContact O-N 3.26Å; L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 PolarHBondContact O-N 2.96Å; L2-I59 HydrophobicContact CD1-CG2 4.39Å
3	R	44	Very low	48.6	Very low	222 Å²	222	54.2 Å²	54.2	84%	0.838	26%	0.26	S	S	*	.	H	α-helix	trans	-60.7	-44	173	-77.4	-171.8	-179.5	172.9	2.1	113.4	M1 L6 T7	M1-R3 PolarHBondContact O-N 3.37Å; M1-R3 VanDerWaalsContact O-N 3.09Å; R3-L6 PolarHBondContact O-N 3.18Å; R3-T7 PolarHBondContact O-N 3.04Å; R3-T7 PolarHBondContact O-OG1 3.4Å
4	V	50.8	Low	48.4	Very low	25 Å²	25	53.1 Å²	53.1	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-41.3	179	-175.1	0	0	0	0	110.6	M1 L2 T7 V8 M112	M1-V4 WeakPolarHBondContact O-CA 3.29Å; M1-V4 WeakPolarHBondContact O-CB 3.46Å; M1-V4 PolarHBondContact O-N 3.25Å; L2-V4 PolarHBondContact O-N 3.28Å; V4-T7 PolarHBondContact O-N 2.73Å; V4-V8 HydrophobicContact CG1-CG2 4.39Å; V4-V8 WeakPolarHBondContact O-CB 3.44Å; V4-V8 VanDerWaalsContact O-CG2 3.29Å; V4-V8 WeakPolarHBondContact O-CG2 3.42Å; V4-V8 PolarHBondContact O-N 2.77Å; V4-M112 HydrophobicContact CG1-CB 3.93Å; V4-M112 HydrophobicContact CG1-CG 4.32Å; V4-M112 HydrophobicContact CG1-SD 4.15Å
5	A	51.7	Low	48	Very low	3 Å²	3	51.8 Å²	51.8	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-45.6	173.6	0	0	0	0	0	111.5	M1 L2 T7 V8 L9 Y40 F82 I86	M1-A5 PolarHBondContact O-N 3.34Å; M1-A5 VanDerWaalsContact O-N 3.08Å; L2-A5 PolarHBondContact O-N 3.26Å; A5-T7 PolarHBondContact O-N 2.96Å; A5-V8 PolarHBondContact O-N 3.01Å; A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 VanDerWaalsContact O-CG 3.31Å; A5-L9 WeakPolarHBondContact O-CG 3.47Å; A5-L9 PolarHBondContact O-N 3.33Å; A5-Y40 HydrophobicContact CB-CE1 3.83Å; A5-F82 HydrophobicContact CB-CE2 3.93Å; A5-F82 HydrophobicContact CB-CZ 4.11Å; A5-I86 HydrophobicContact CB-CD1 3.96Å; A5-I86 HydrophobicContact CB-CG1 4.46Å
6	L	46.3	Very low	47.4	Very low	68 Å²	68	53.8 Å²	53.8	36%	0.356	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-43.5	176.8	-155.8	87	0	0	0	111.7	L2 R3 L9 I10 V37	L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 PolarHBondContact O-N 2.96Å; R3-L6 PolarHBondContact O-N 3.18Å; L6-L9 PolarHBondContact O-N 3.09Å; L6-I10 HydrophobicContact CD2-CD1 4.04Å; L6-I10 HydrophobicContact CG-CD1 4.01Å; L6-I10 WeakPolarHBondContact O-CB 3.21Å; L6-I10 WeakPolarHBondContact O-CD1 3.48Å; L6-I10 WeakPolarHBondContact O-CG1 3.27Å; L6-I10 PolarHBondContact O-N 3.17Å; L6-V37 HydrophobicContact CD1-CG1 3.76Å
7	T	50.1	Low	46.7	Very low	61 Å²	61	51.5 Å²	51.5	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-43.1	177.4	-50.9	0	0	0	0	111.8	R3 V4 A5 L9 I10 V11 M112	R3-T7 PolarHBondContact O-N 3.04Å; R3-T7 PolarHBondContact O-OG1 3.4Å; V4-T7 PolarHBondContact O-N 2.73Å; A5-T7 PolarHBondContact O-N 2.96Å; T7-L9 VanDerWaalsContact C-N 3.28Å; T7-L9 PolarHBondContact O-N 2.95Å; T7-I10 PolarHBondContact O-N 3.22Å; T7-V11 WeakPolarHBondContact O-CB 3.16Å; T7-V11 VanDerWaalsContact O-CG2 3.28Å; T7-V11 WeakPolarHBondContact O-CG2 3.07Å; T7-V11 PolarHBondContact O-N 3.29Å; T7-M112 HydrophobicContact CG2-CE 3.74Å; T7-M112 HydrophobicContact CG2-SD 3.75Å
8	V	52.5	Low	46.1	Very low	2 Å²	2	58.7 Å²	58.7	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-37.3	174.6	170.1	0	0	0	0	111.3	V4 A5 A12 I86 A90 M112	V4-V8 HydrophobicContact CG1-CG2 4.39Å; V4-V8 WeakPolarHBondContact O-CB 3.44Å; V4-V8 VanDerWaalsContact O-CG2 3.29Å; V4-V8 WeakPolarHBondContact O-CG2 3.42Å; V4-V8 PolarHBondContact O-N 2.77Å; A5-V8 PolarHBondContact O-N 3.01Å; V8-A12 VanDerWaalsContact O-CB 3.24Å; V8-A12 WeakPolarHBondContact O-CB 3.29Å; V8-A12 PolarHBondContact O-N 3.47Å; V8-I86 HydrophobicContact CG1-CG2 4.45Å; V8-A90 HydrophobicContact CG1-CB 4.2Å; V8-M112 HydrophobicContact CG2-CB 3.99Å; V8-M112 HydrophobicContact CG2-CE 3.67Å; V8-M112 HydrophobicContact CG2-SD 4.02Å
9	L	50.1	Low	45.4	Very low	7 Å²	7	59.8 Å²	59.8	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-73.8	-41.4	176	-72.9	164.3	0	0	0	113	A5 L6 T7 V11 A12 F13 V37 Y40 A89	A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 VanDerWaalsContact O-CG 3.31Å; A5-L9 WeakPolarHBondContact O-CG 3.47Å; A5-L9 PolarHBondContact O-N 3.33Å; L6-L9 PolarHBondContact O-N 3.09Å; T7-L9 VanDerWaalsContact C-N 3.28Å; T7-L9 PolarHBondContact O-N 2.95Å; L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 2.79Å; L9-A12 WeakPolarHBondContact O-CB 3.26Å; L9-A12 PolarHBondContact O-N 3.19Å; L9-F13 HydrophobicContact CD2-CD2 4.27Å; L9-F13 HydrophobicContact CD2-CE2 3.92Å; L9-F13 WeakPolarHBondContact O-CD2 3.37Å; L9-F13 PolarHBondContact O-N 3.23Å; L9-V37 HydrophobicContact CB-CG2 4.23Å; L9-V37 HydrophobicContact CD1-CG2 4.28Å; L9-Y40 HydrophobicContact CD1-CD1 3.75Å; L9-Y40 HydrophobicContact CD1-CD2 3.94Å; L9-Y40 HydrophobicContact CD1-CE1 4.31Å; L9-Y40 HydrophobicContact CD1-CE2 4.41Å; L9-Y40 HydrophobicContact CD1-CG 3.59Å; L9-Y40 HydrophobicContact CD2-CD2 4.41Å; L9-A89 HydrophobicContact CD2-CB 3.95Å
10	I	47.8	Very low	44.8	Very low	91 Å²	91	63.9 Å²	63.9	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-43	173.6	-72.5	163.2	0	0	0	109.8	L6 T7 S14	L6-I10 HydrophobicContact CD2-CD1 4.04Å; L6-I10 HydrophobicContact CG-CD1 4.01Å; L6-I10 WeakPolarHBondContact O-CB 3.21Å; L6-I10 WeakPolarHBondContact O-CD1 3.48Å; L6-I10 WeakPolarHBondContact O-CG1 3.27Å; L6-I10 PolarHBondContact O-N 3.17Å; T7-I10 PolarHBondContact O-N 3.22Å; I10-S14 WeakPolarHBondContact O-CA 3.27Å; I10-S14 WeakPolarHBondContact O-CB 3.46Å; I10-S14 PolarHBondContact O-N 3.4Å; I10-S14 PolarHBondContact O-OG 2.89Å
11	V	50.9	Low	44.1	Very low	15 Å²	15	65.8 Å²	65.8	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-53.2	171.3	171.1	0	0	0	0	109.7	T7 L9 F13 S14 Y97 P105 I109	T7-V11 WeakPolarHBondContact O-CB 3.16Å; T7-V11 VanDerWaalsContact O-CG2 3.28Å; T7-V11 WeakPolarHBondContact O-CG2 3.07Å; T7-V11 PolarHBondContact O-N 3.29Å; L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 2.79Å; V11-F13 VanDerWaalsContact C-N 3.28Å; V11-F13 PolarHBondContact O-N 3.46Å; V11-F13 VanDerWaalsContact O-N 3.13Å; V11-S14 PolarHBondContact O-N 3.44Å; V11-S14 PolarHBondContact O-OG 3.03Å; V11-Y97 HydrophobicContact CG1-CD2 4.42Å; V11-Y97 HydrophobicContact CG1-CE2 3.48Å; V11-Y97 VanDerWaalsContact CG1-CE2 3.48Å; V11-Y97 WeakPolarHBondContact O-CE2 3.27Å; V11-Y97 PolarHBondContact O-OH 3.34Å; V11-P105 HydrophobicContact CG1-CB 4.19Å; V11-I109 HydrophobicContact CG1-CD1 3.87Å; V11-I109 HydrophobicContact CG1-CG1 3.76Å
12	A	50.2	Low	43.1	Very low	3 Å²	3	73.7 Å²	73.7	3%	0.025	39%	0.391	C	S	.	.	H	α-helix	trans	-51	-41.8	-179.7	0	0	0	0	0	115.1	V8 L9 A93	V8-A12 VanDerWaalsContact O-CB 3.24Å; V8-A12 WeakPolarHBondContact O-CB 3.29Å; V8-A12 PolarHBondContact O-N 3.47Å; L9-A12 WeakPolarHBondContact O-CB 3.26Å; L9-A12 PolarHBondContact O-N 3.19Å; A12-A93 VanDerWaalsContact CA-CB 3.48Å; A12-A93 HydrophobicContact CB-CB 3.53Å
13	F	47.9	Very low	42.6	Very low	70 Å²	70	81.2 Å²	81.2	31%	0.307	41%	0.414	S	S	.	.	H	α-helix	trans	-102.4	-21.4	-172.8	-74.8	-81.2	0	0	0	114.4	L9 V11 A15 A16 I33	L9-F13 HydrophobicContact CD2-CD2 4.27Å; L9-F13 HydrophobicContact CD2-CE2 3.92Å; L9-F13 WeakPolarHBondContact O-CD2 3.37Å; L9-F13 PolarHBondContact O-N 3.23Å; V11-F13 VanDerWaalsContact C-N 3.28Å; V11-F13 PolarHBondContact O-N 3.46Å; V11-F13 VanDerWaalsContact O-N 3.13Å; F13-A15 PolarHBondContact O-N 3.25Å; F13-A15 VanDerWaalsContact O-N 3.12Å; F13-A16 WeakPolarHBondContact O-CB 3.47Å; F13-A16 PolarHBondContact O-N 3.48Å; F13-I33 HydrophobicContact CB-CD1 3.97Å; F13-I33 HydrophobicContact CB-CG1 3.89Å; F13-I33 HydrophobicContact CB-CG2 4Å; F13-I33 HydrophobicContact CG-CG1 4.48Å
14	S	44.8	Very low	42.1	Very low	40 Å²	40	78 Å²	78	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-16.4	169.6	63.5	0	0	0	0	112.9	I10 V11 A16 A17 F18 Y97	I10-S14 WeakPolarHBondContact O-CA 3.27Å; I10-S14 WeakPolarHBondContact O-CB 3.46Å; I10-S14 PolarHBondContact O-N 3.4Å; I10-S14 PolarHBondContact O-OG 2.89Å; V11-S14 PolarHBondContact O-N 3.44Å; V11-S14 PolarHBondContact O-OG 3.03Å; S14-A16 PolarHBondContact O-N 2.8Å; S14-A17 CarbonylContact O-C 3.49Å; S14-A17 WeakPolarHBondContact O-CA 3.43Å; S14-A17 PolarHBondContact O-N 2.92Å; S14-F18 PolarHBondContact O-N 3.3Å; S14-Y97 PolarHBondContact OG-OH 3.28Å
15	A	43.3	Very low	41.3	Very low	33 Å²	33	79.6 Å²	79.6	27%	0.273	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15	170.3	0	0	0	0	0	114.5	F13 I96 Y97	F13-A15 PolarHBondContact O-N 3.25Å; F13-A15 VanDerWaalsContact O-N 3.12Å; A15-I96 HydrophobicContact CB-CB 4.16Å; A15-I96 HydrophobicContact CB-CG2 3.55Å; A15-Y97 HydrophobicContact CB-CD1 4.31Å; A15-Y97 HydrophobicContact CB-CD2 4.38Å; A15-Y97 HydrophobicContact CB-CE1 3.92Å; A15-Y97 HydrophobicContact CB-CE2 3.99Å
16	A	37.9	Very low	41	Very low	83 Å²	83	82.7 Å²	82.7	69%	0.686	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.9	167.7	0	0	0	0	0	113.1	F13 S14	F13-A16 WeakPolarHBondContact O-CB 3.47Å; F13-A16 PolarHBondContact O-N 3.48Å; S14-A16 PolarHBondContact O-N 2.8Å
17	A	35.4	Very low	41.3	Very low	16 Å²	16	84.1 Å²	84.1	13%	0.132	45%	0.451	C	S	.	.	S	Bend	trans	-139.4	13.2	-143.7	0	0	0	0	0	115.8	S14 L25	S14-A17 CarbonylContact O-C 3.49Å; S14-A17 WeakPolarHBondContact O-CA 3.43Å; S14-A17 PolarHBondContact O-N 2.92Å; A17-L25 HydrophobicContact CB-CD1 3.99Å; A17-L25 HydrophobicContact CB-CD2 3.9Å; A17-L25 HydrophobicContact CB-CG 4.27Å; A17-L25 WeakPolarHBondContact O-CD1 3.07Å
18	F	35.9	Very low	41	Very low	181 Å²	181	87.7 Å²	87.7	79%	0.794	46%	0.464	S	S	*	.			trans	-138.7	144.5	169.9	-107.8	-89.8	0	0	0	114.8	S14	S14-F18 PolarHBondContact O-N 3.3Å
19	P	33.1	Very low	40.7	Very low	79 Å²	79	91.6 Å²	91.6	51%	0.513	48%	0.481	S	S	.	.			trans	-129.8	164.1	-154.5	41.9	-26.7	0	0	0	116.2	S21	P19-S21 WeakPolarHBondContact CG-O 3.46Å; P19-S21 PolarHBondContact O-N 2.93Å
20	T	32.5	Very low	40.5	Very low	141 Å²	141	97.3 Å²	97.3	87%	0.865	51%	0.508	S	S	*	.	S	Bend	trans	-69.2	114.5	144.1	45.4	0	0	0	0	109.4
21	S	30.4	Very low	40.7	Very low	105 Å²	105	99.1 Å²	99.1	73%	0.734	52%	0.515	S	S	*	.	S	Bend	trans	77.5	123.3	-177.3	84	0	0	0	0	116.4	P19 R23	P19-S21 WeakPolarHBondContact CG-O 3.46Å; P19-S21 PolarHBondContact O-N 2.93Å; S21-R23 PolarHBondContact O-N 3.45Å
22	R	26.7	Very low	40.5	Very low	233 Å²	233	105 Å²	105	88%	0.879	54%	0.541	S	S	*	.			trans	-66.8	118.5	179.4	-59.5	167.3	177.9	163	-3.6	111.1
23	R	31.7	Very low	40.3	Very low	228 Å²	228	106.7 Å²	106.7	86%	0.86	55%	0.549	S	S	*	.			trans	-172.4	121	144.1	-102.6	146.6	-171.3	-171.7	1.8	111	S21	S21-R23 PolarHBondContact O-N 3.45Å
24	N	34.2	Very low	40.5	Very low	153 Å²	153	107.3 Å²	107.3	82%	0.818	55%	0.553	S	S	*	*			trans	50.1	106.1	152.7	-49.9	11.7	0	0	0	117.5
25	L	33.6	Very low	40.9	Very low	59 Å²	59	107.7 Å²	107.7	31%	0.309	56%	0.559	S	S	.	*			trans	-58.6	157.2	142	-90.6	71.5	0	0	0	109.4	A17 E29 E30	A17-L25 HydrophobicContact CB-CD1 3.99Å; A17-L25 HydrophobicContact CB-CD2 3.9Å; A17-L25 HydrophobicContact CB-CG 4.27Å; A17-L25 WeakPolarHBondContact O-CD1 3.07Å; L25-E29 VanDerWaalsContact CA-OE2 3.28Å; L25-E29 WeakPolarHBondContact CA-OE2 3.35Å; L25-E29 HydrophobicContact CB-CB 4.42Å; L25-E29 HydrophobicContact CD2-CB 3.96Å; L25-E29 HydrophobicContact CG-CB 4.19Å; L25-E30 HydrophobicContact CB-CG 4.46Å; L25-E30 HydrophobicContact CD2-CG 3.72Å
26	T	45.2	Very low	41.3	Very low	69 Å²	69	108 Å²	108	42%	0.423	56%	0.559	S	S	.	*			trans	-81.5	157.4	159.5	69.6	0	0	0	0	110.4	E28 E29 E30	T26-E28 PolarHBondContact O-N 2.91Å; T26-E29 PolarHBondContact N-OE2 3.48Å; T26-E29 PolarHBondContact O-N 3.34Å; T26-E29 VanDerWaalsContact O-N 3.12Å; T26-E30 PolarHBondContact O-N 2.9Å
27	V	52.6	Low	42	Very low	98 Å²	98	105 Å²	105	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-60.5	-32.5	176.5	179.4	0	0	0	0	110.9	E29 E30 E31	V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 PolarHBondContact O-N 2.95Å; V27-E30 PolarHBondContact O-N 3.25Å; V27-E31 HydrophobicContact CG1-CG 4.25Å; V27-E31 WeakPolarHBondContact O-CB 3.37Å; V27-E31 WeakPolarHBondContact O-CG 3.36Å; V27-E31 PolarHBondContact O-N 2.86Å
28	E	44.3	Very low	43.1	Very low	136 Å²	136	108.3 Å²	108.3	64%	0.636	54%	0.544	S	S	*	.	H	α-helix	trans	-61.2	-34.4	176.5	-58.5	172.4	134.9	0	0	112.5	T26 Q32	T26-E28 PolarHBondContact O-N 2.91Å; E28-Q32 WeakPolarHBondContact O-CG 3.39Å; E28-Q32 PolarHBondContact O-N 2.78Å
29	E	45.4	Very low	44.4	Very low	83 Å²	83	103.5 Å²	103.5	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-72.6	-42	177.5	-68.5	170.9	139.9	0	0	111.5	L25 T26 V27 Q32 I33	L25-E29 VanDerWaalsContact CA-OE2 3.28Å; L25-E29 WeakPolarHBondContact CA-OE2 3.35Å; L25-E29 HydrophobicContact CB-CB 4.42Å; L25-E29 HydrophobicContact CD2-CB 3.96Å; L25-E29 HydrophobicContact CG-CB 4.19Å; T26-E29 PolarHBondContact N-OE2 3.48Å; T26-E29 PolarHBondContact O-N 3.34Å; T26-E29 VanDerWaalsContact O-N 3.12Å; V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 PolarHBondContact O-N 2.95Å; E29-Q32 PolarHBondContact O-N 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.42Å; E29-I33 PolarHBondContact O-N 3.35Å
30	E	45.6	Very low	45.7	Very low	128 Å²	128	100.4 Å²	100.4	60%	0.598	51%	0.507	S	S	*	.	H	α-helix	trans	-65	-40.6	173.1	-68.4	-166.6	131.1	0	0	111.5	L25 T26 V27 I33 E34	L25-E30 HydrophobicContact CB-CG 4.46Å; L25-E30 HydrophobicContact CD2-CG 3.72Å; T26-E30 PolarHBondContact O-N 2.9Å; V27-E30 PolarHBondContact O-N 3.25Å; E30-I33 PolarHBondContact O-N 3.05Å; E30-E34 PolarHBondContact O-N 3.15Å
31	E	52	Low	46.9	Very low	129 Å²	129	97.4 Å²	97.4	60%	0.603	48%	0.483	S	S	*	.	H	α-helix	trans	-63.3	-39.3	175.7	-76.6	-177.2	176.5	0	0	112.5	V27 I33 E34 A35	V27-E31 HydrophobicContact CG1-CG 4.25Å; V27-E31 WeakPolarHBondContact O-CB 3.37Å; V27-E31 WeakPolarHBondContact O-CG 3.36Å; V27-E31 PolarHBondContact O-N 2.86Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.02Å; E31-E34 PolarHBondContact O-N 3.12Å; E31-A35 WeakPolarHBondContact O-CB 3.4Å; E31-A35 PolarHBondContact O-N 3Å
32	Q	47.9	Very low	48.6	Very low	138 Å²	138	95.7 Å²	95.7	65%	0.645	47%	0.468	S	S	*	.	H	α-helix	trans	-62.8	-38.2	174	-80.4	-173.7	19.6	0	0	112.7	E28 E29 S36	E28-Q32 WeakPolarHBondContact O-CG 3.39Å; E28-Q32 PolarHBondContact O-N 2.78Å; E29-Q32 PolarHBondContact O-N 3.27Å; Q32-S36 WeakPolarHBondContact O-CB 3.32Å; Q32-S36 PolarHBondContact O-N 2.95Å; Q32-S36 PolarHBondContact O-OG 2.75Å
33	I	46.8	Very low	50.6	Low	38 Å²	38	89.7 Å²	89.7	20%	0.195	45%	0.45	C	S	.	.	H	α-helix	trans	-70	-44.3	177.3	-61.7	178.7	0	0	0	110.2	F13 E29 E30 E31 A35 S36 V37	F13-I33 HydrophobicContact CB-CD1 3.97Å; F13-I33 HydrophobicContact CB-CG1 3.89Å; F13-I33 HydrophobicContact CB-CG2 4Å; F13-I33 HydrophobicContact CG-CG1 4.48Å; E29-I33 WeakPolarHBondContact O-CG1 3.42Å; E29-I33 PolarHBondContact O-N 3.35Å; E30-I33 PolarHBondContact O-N 3.05Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.02Å; I33-A35 PolarHBondContact O-N 2.79Å; I33-S36 PolarHBondContact O-N 3.41Å; I33-V37 WeakPolarHBondContact O-CG2 3.4Å; I33-V37 PolarHBondContact O-N 3.17Å
34	E	51.1	Low	52.3	Low	83 Å²	83	79.7 Å²	79.7	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-39.3	177.2	-128.1	-147.8	-162	0	0	112	E30 E31 V37 K38	E30-E34 PolarHBondContact O-N 3.15Å; E31-E34 PolarHBondContact O-N 3.12Å; E34-V37 PolarHBondContact O-N 2.68Å; E34-K38 WeakPolarHBondContact O-CB 3.35Å; E34-K38 WeakPolarHBondContact O-CG 3.3Å; E34-K38 PolarHBondContact O-N 3.48Å; E34-K38 WeakPolarHBondContact OE2-CE 3.32Å; E34-K38 IonicContact OE2-NZ 2.73Å; E34-K38 PolarHBondContact OE2-NZ 2.87Å
35	A	53.2	Low	53.9	Low	48 Å²	48	75.6 Å²	75.6	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-45	173.2	0	0	0	0	0	111.7	E31 I33 V37 K38 V39	E31-A35 WeakPolarHBondContact O-CB 3.4Å; E31-A35 PolarHBondContact O-N 3Å; I33-A35 PolarHBondContact O-N 2.79Å; A35-V37 VanDerWaalsContact C-N 3.34Å; A35-V37 PolarHBondContact O-N 3.35Å; A35-K38 WeakPolarHBondContact O-CB 3.14Å; A35-K38 PolarHBondContact O-N 3.27Å; A35-V39 WeakPolarHBondContact O-CG2 3Å; A35-V39 PolarHBondContact O-N 2.03Å
36	S	52.3	Low	55.6	Low	41 Å²	41	78.3 Å²	78.3	29%	0.287	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-39.9	177.4	-60.5	0	0	0	0	112.2	Q32 I33 Y40	Q32-S36 WeakPolarHBondContact O-CB 3.32Å; Q32-S36 PolarHBondContact O-N 2.95Å; Q32-S36 PolarHBondContact O-OG 2.75Å; I33-S36 PolarHBondContact O-N 3.41Å; S36-Y40 WeakPolarHBondContact O-CB 3.4Å; S36-Y40 PolarHBondContact O-N 2.89Å
37	V	51.8	Low	56.8	Low	19 Å²	19	76.1 Å²	76.1	12%	0.115	39%	0.385	C	S	.	.	H	α-helix	trans	-70	-37.5	175	174.5	0	0	0	0	111.8	L6 L9 I33 E34 A35 Y40 Q41	L6-V37 HydrophobicContact CD1-CG1 3.76Å; L9-V37 HydrophobicContact CB-CG2 4.23Å; L9-V37 HydrophobicContact CD1-CG2 4.28Å; I33-V37 WeakPolarHBondContact O-CG2 3.4Å; I33-V37 PolarHBondContact O-N 3.17Å; E34-V37 PolarHBondContact O-N 2.68Å; A35-V37 VanDerWaalsContact C-N 3.34Å; A35-V37 PolarHBondContact O-N 3.35Å; V37-Y40 PolarHBondContact O-N 2.88Å; V37-Q41 WeakPolarHBondContact O-CG 3.05Å; V37-Q41 PolarHBondContact O-N 3.25Å
38	K	58.8	Low	57.4	Low	86 Å²	86	71.9 Å²	71.9	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-43	173.3	-78.3	163.1	168.6	165.7	0	111.6	E34 A35 Q41 T42 L155	E34-K38 WeakPolarHBondContact O-CB 3.35Å; E34-K38 WeakPolarHBondContact O-CG 3.3Å; E34-K38 PolarHBondContact O-N 3.48Å; E34-K38 WeakPolarHBondContact OE2-CE 3.32Å; E34-K38 IonicContact OE2-NZ 2.73Å; E34-K38 PolarHBondContact OE2-NZ 2.87Å; A35-K38 WeakPolarHBondContact O-CB 3.14Å; A35-K38 PolarHBondContact O-N 3.27Å; K38-Q41 PolarHBondContact O-N 2.82Å; K38-T42 WeakPolarHBondContact O-CB 3.39Å; K38-T42 PolarHBondContact O-N 3.23Å; K38-T42 VanDerWaalsContact O-N 3.1Å; K38-T42 PolarHBondContact O-OG1 2.64Å; K38-L155 PolarHBondContact NZ-O 2.98Å
39	V	62.8	Low	58.4	Low	79 Å²	79	68.8 Å²	68.8	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-60	-52.4	172.6	171.3	0	0	0	0	110.5	A35 Q41 T42 E43	A35-V39 WeakPolarHBondContact O-CG2 3Å; A35-V39 PolarHBondContact O-N 2.03Å; V39-Q41 VanDerWaalsContact C-N 3.34Å; V39-Q41 PolarHBondContact O-N 2.6Å; V39-T42 CarbonylContact O-C 3.58Å; V39-T42 WeakPolarHBondContact O-CA 3.43Å; V39-T42 WeakPolarHBondContact O-CB 3.1Å; V39-T42 PolarHBondContact O-N 2.82Å; V39-E43 HydrophobicContact CG1-CG 4.26Å; V39-E43 PolarHBondContact O-N 3.15Å
40	Y	61	Low	59.6	Low	15 Å²	15	71 Å²	71	6%	0.059	36%	0.359	C	S	.	.	H	α-helix	trans	-55	-45.7	178.3	176.7	-81.1	0	0	0	112.8	A5 L9 S36 V37 T42 E43 L44 T85 I86	A5-Y40 HydrophobicContact CB-CE1 3.83Å; L9-Y40 HydrophobicContact CD1-CD1 3.75Å; L9-Y40 HydrophobicContact CD1-CD2 3.94Å; L9-Y40 HydrophobicContact CD1-CE1 4.31Å; L9-Y40 HydrophobicContact CD1-CE2 4.41Å; L9-Y40 HydrophobicContact CD1-CG 3.59Å; L9-Y40 HydrophobicContact CD2-CD2 4.41Å; S36-Y40 WeakPolarHBondContact O-CB 3.4Å; S36-Y40 PolarHBondContact O-N 2.89Å; V37-Y40 PolarHBondContact O-N 2.88Å; Y40-T42 PolarHBondContact O-N 3.35Å; Y40-E43 PolarHBondContact O-N 3.04Å; Y40-L44 HydrophobicContact CE1-CB 4.28Å; Y40-L44 HydrophobicContact CE1-CD2 3.91Å; Y40-L44 WeakPolarHBondContact O-CB 3.33Å; Y40-L44 PolarHBondContact O-N 2.87Å; Y40-T85 PolarHBondContact OH-OG1 2.97Å; Y40-I86 HydrophobicContact CE2-CG1 4.33Å; Y40-I86 WeakPolarHBondContact OH-CG1 3.31Å
41	Q	58.1	Low	60.6	Low	78 Å²	78	70.1 Å²	70.1	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-32.9	177.1	-74.6	-174.3	21.5	0	0	112.1	V37 K38 V39 K45	V37-Q41 WeakPolarHBondContact O-CG 3.05Å; V37-Q41 PolarHBondContact O-N 3.25Å; K38-Q41 PolarHBondContact O-N 2.82Å; V39-Q41 VanDerWaalsContact C-N 3.34Å; V39-Q41 PolarHBondContact O-N 2.6Å; Q41-K45 WeakPolarHBondContact O-CB 3.26Å; Q41-K45 VanDerWaalsContact O-CG 3.28Å; Q41-K45 WeakPolarHBondContact O-CG 3.25Å; Q41-K45 PolarHBondContact O-N 3.46Å; Q41-K45 VanDerWaalsContact O-N 3.07Å
42	T	66.3	Low	61.2	Low	68 Å²	68	65.1 Å²	65.1	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-74.2	-39.6	178.3	-55.2	0	0	0	0	111.5	K38 V39 Y40 K46	K38-T42 WeakPolarHBondContact O-CB 3.39Å; K38-T42 PolarHBondContact O-N 3.23Å; K38-T42 VanDerWaalsContact O-N 3.1Å; K38-T42 PolarHBondContact O-OG1 2.64Å; V39-T42 CarbonylContact O-C 3.58Å; V39-T42 WeakPolarHBondContact O-CA 3.43Å; V39-T42 WeakPolarHBondContact O-CB 3.1Å; V39-T42 PolarHBondContact O-N 2.82Å; Y40-T42 PolarHBondContact O-N 3.35Å; T42-K46 HydrophobicContact CG2-CD 4.24Å; T42-K46 WeakPolarHBondContact O-CB 3.41Å; T42-K46 VanDerWaalsContact O-CG 3.26Å; T42-K46 WeakPolarHBondContact O-CG 3.44Å; T42-K46 PolarHBondContact O-N 3.08Å
43	E	68.4	Low	61.7	Low	108 Å²	108	61.8 Å²	61.8	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-45.4	175.1	-69.7	-179.1	152.4	0	0	112.1	V39 Y40 K45 K46 C47	V39-E43 HydrophobicContact CG1-CG 4.26Å; V39-E43 PolarHBondContact O-N 3.15Å; Y40-E43 PolarHBondContact O-N 3.04Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 3.08Å; E43-K46 PolarHBondContact O-N 2.78Å; E43-C47 WeakPolarHBondContact O-CB 3.48Å; E43-C47 PolarHBondContact O-N 3.06Å
44	L	67.1	Low	62.2	Low	18 Å²	18	60.6 Å²	60.6	9%	0.094	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-39.8	176.2	-179.8	61.1	0	0	0	111.8	Y40 I48 C81 F82	Y40-L44 HydrophobicContact CE1-CB 4.28Å; Y40-L44 HydrophobicContact CE1-CD2 3.91Å; Y40-L44 WeakPolarHBondContact O-CB 3.33Å; Y40-L44 PolarHBondContact O-N 2.87Å; L44-I48 HydrophobicContact CD1-CD1 3.85Å; L44-I48 HydrophobicContact CD1-CG1 4.33Å; L44-I48 HydrophobicContact CG-CD1 4.03Å; L44-I48 WeakPolarHBondContact O-CB 3.18Å; L44-I48 WeakPolarHBondContact O-CG1 3.25Å; L44-I48 PolarHBondContact O-N 2.9Å; L44-I48 VanDerWaalsContact O-N 3.1Å; L44-C81 HydrophobicContact CD1-CB 4.47Å; L44-C81 WeakPolarHBondContact CD1-O 3.35Å; L44-F82 HydrophobicContact CD1-CB 4.41Å; L44-F82 HydrophobicContact CD1-CD2 4.36Å; L44-F82 HydrophobicContact CD2-CD2 4.01Å; L44-F82 HydrophobicContact CD2-CE2 4.45Å
45	K	66.8	Low	62.4	Low	66 Å²	66	63.6 Å²	63.6	29%	0.287	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-53.1	172.2	-81.3	-174.3	174.3	-168	0	111.5	Q41 E43 C47 I48 E49 I59	Q41-K45 WeakPolarHBondContact O-CB 3.26Å; Q41-K45 VanDerWaalsContact O-CG 3.28Å; Q41-K45 WeakPolarHBondContact O-CG 3.25Å; Q41-K45 PolarHBondContact O-N 3.46Å; Q41-K45 VanDerWaalsContact O-N 3.07Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 3.08Å; K45-C47 VanDerWaalsContact C-N 3.29Å; K45-C47 PolarHBondContact O-N 3.34Å; K45-I48 PolarHBondContact O-N 2.91Å; K45-I48 VanDerWaalsContact O-N 3.11Å; K45-E49 WeakPolarHBondContact O-CB 3.49Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 2.84Å; K45-I59 HydrophobicContact CG-CD1 3.9Å
46	K	69.7	Low	62.2	Low	117 Å²	117	64.7 Å²	64.7	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-56	-39.7	177.3	-77	173.2	177.8	177.9	0	112.9	T42 E43 N50	T42-K46 HydrophobicContact CG2-CD 4.24Å; T42-K46 WeakPolarHBondContact O-CB 3.41Å; T42-K46 VanDerWaalsContact O-CG 3.26Å; T42-K46 WeakPolarHBondContact O-CG 3.44Å; T42-K46 PolarHBondContact O-N 3.08Å; E43-K46 PolarHBondContact O-N 2.78Å; K46-N50 WeakPolarHBondContact O-CB 3.39Å; K46-N50 PolarHBondContact O-N 3.02Å; K46-N50 PolarHBondContact O-ND2 3.23Å
47	C	70.3	Confident	62.3	Low	23 Å²	23	67.3 Å²	67.3	16%	0.155	36%	0.361	C	S	.	.	H	α-helix	trans	-63.9	-49.3	176.3	-167.5	0	0	0	0	111.1	E43 K45 E49 N51 C81	E43-C47 WeakPolarHBondContact O-CB 3.48Å; E43-C47 PolarHBondContact O-N 3.06Å; K45-C47 VanDerWaalsContact C-N 3.29Å; K45-C47 PolarHBondContact O-N 3.34Å; C47-E49 PolarHBondContact O-N 2.95Å; C47-N51 VanDerWaalsContact O-CB 3.23Å; C47-N51 WeakPolarHBondContact O-CB 3.43Å; C47-N51 PolarHBondContact O-N 3.42Å; C47-N51 PolarHBondContact SG-ND2 3.21Å; C47-N51 VanDerWaalsContact SG-ND2 3.42Å; C47-C81 HydrophobicContact CB-CB 3.78Å; C47-C81 WeakPolarHBondContact CB-SG 3.4Å; C47-C81 PolarHBondContact O-SG 3.02Å; C47-C81 VanDerWaalsContact O-SG 3.36Å; C47-C81 WeakPolarHBondContact SG-CA 3.43Å; C47-C81 WeakPolarHBondContact SG-CB 3.49Å; C47-C81 CovalentContact SG-SG 2.04Å; C47-C81 PolarHBondContact SG-SG 3.39Å
48	I	65.4	Low	62.3	Low	8 Å²	8	67.7 Å²	67.7	4%	0.041	36%	0.362	C	S	.	.	I	π-helix	trans	-65.3	-39.3	-179.6	-70.9	171.4	0	0	0	111.6	L44 K45 C52 G53 T54 I59 I78 C81	L44-I48 HydrophobicContact CD1-CD1 3.85Å; L44-I48 HydrophobicContact CD1-CG1 4.33Å; L44-I48 HydrophobicContact CG-CD1 4.03Å; L44-I48 WeakPolarHBondContact O-CB 3.18Å; L44-I48 WeakPolarHBondContact O-CG1 3.25Å; L44-I48 PolarHBondContact O-N 2.9Å; L44-I48 VanDerWaalsContact O-N 3.1Å; K45-I48 PolarHBondContact O-N 2.91Å; K45-I48 VanDerWaalsContact O-N 3.11Å; I48-C52 HydrophobicContact CG2-CB 4.41Å; I48-C52 CarbonylContact O-C 3.56Å; I48-C52 VanDerWaalsContact O-CA 3.28Å; I48-C52 WeakPolarHBondContact O-CA 3.46Å; I48-C52 WeakPolarHBondContact O-CB 3.49Å; I48-C52 PolarHBondContact O-N 3.42Å; I48-G53 PolarHBondContact O-N 3.48Å; I48-G53 VanDerWaalsContact O-N 3.13Å; I48-T54 WeakPolarHBondContact CG2-OG1 3.28Å; I48-I59 HydrophobicContact CD1-CD1 4.45Å; I48-I59 HydrophobicContact CG2-CD1 4.14Å; I48-I78 HydrophobicContact CD1-CG2 4.5Å; I48-C81 HydrophobicContact CG1-CB 4.07Å
49	E	66.3	Low	62	Low	71 Å²	71	64.6 Å²	64.6	33%	0.332	35%	0.35	S	S	.	.	I	π-helix	trans	-65	-53.7	175.6	-72.9	160.4	-163.3	0	0	111.2	K45 C47 G53	K45-E49 WeakPolarHBondContact O-CB 3.49Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 2.84Å; C47-E49 PolarHBondContact O-N 2.95Å; E49-G53 PolarHBondContact O-N 2.9Å
50	N	69.3	Low	61.5	Low	129 Å²	129	65.5 Å²	65.5	69%	0.69	35%	0.351	S	S	*	.	I	π-helix	trans	-68.9	-40.3	-176.2	-69	-23.2	0	0	0	113.5	K46	K46-N50 WeakPolarHBondContact O-CB 3.39Å; K46-N50 PolarHBondContact O-N 3.02Å; K46-N50 PolarHBondContact O-ND2 3.23Å
51	N	67.4	Low	61.2	Low	111 Å²	111	68.1 Å²	68.1	59%	0.594	36%	0.363	S	S	*	.	I	π-helix	trans	-98.4	-36	-171.6	-61.4	-19.4	0	0	0	112.8	C47 C77	C47-N51 VanDerWaalsContact O-CB 3.23Å; C47-N51 WeakPolarHBondContact O-CB 3.43Å; C47-N51 PolarHBondContact O-N 3.42Å; C47-N51 PolarHBondContact SG-ND2 3.21Å; C47-N51 VanDerWaalsContact SG-ND2 3.42Å; N51-C77 PolarHBondContact O-SG 2.83Å
52	C	64.4	Low	60.7	Low	24 Å²	24	66.3 Å²	66.3	16%	0.162	36%	0.355	C	S	.	.	I	π-helix	trans	-106.5	-10.9	-172.1	-43.9	0	0	0	0	114	I48 T54 C77 I78	I48-C52 HydrophobicContact CG2-CB 4.41Å; I48-C52 CarbonylContact O-C 3.56Å; I48-C52 VanDerWaalsContact O-CA 3.28Å; I48-C52 WeakPolarHBondContact O-CA 3.46Å; I48-C52 WeakPolarHBondContact O-CB 3.49Å; I48-C52 PolarHBondContact O-N 3.42Å; C52-T54 VanDerWaalsContact C-N 3.33Å; C52-T54 PolarHBondContact O-N 2.9Å; C52-C77 WeakPolarHBondContact CA-SG 3.44Å; C52-C77 HydrophobicContact CB-CB 3.93Å; C52-C77 WeakPolarHBondContact CB-SG 3.22Å; C52-C77 PolarHBondContact N-SG 3.48Å; C52-C77 VanDerWaalsContact N-SG 3.44Å; C52-C77 WeakPolarHBondContact SG-CB 3.43Å; C52-C77 PolarHBondContact SG-O 3.13Å; C52-C77 CovalentContact SG-SG 2.04Å; C52-C77 PolarHBondContact SG-SG 3.49Å; C52-I78 HydrophobicContact CB-CG1 4.47Å
53	G	59.6	Low	59.9	Low	68 Å²	68	66.5 Å²	66.5	70%	0.701	36%	0.364	S	S	*	.			trans	67.9	23.1	168.4	0	0	0	0	0	115.7	I48 E49	I48-G53 PolarHBondContact O-N 3.48Å; I48-G53 VanDerWaalsContact O-N 3.13Å; E49-G53 PolarHBondContact O-N 2.9Å
54	T	56.6	Low	58.8	Low	12 Å²	12	67.3 Å²	67.3	7%	0.074	37%	0.365	C	S	.	.			trans	-99.5	134.7	-179.2	55.5	0	0	0	0	112.2	I48 C52 I73	I48-T54 WeakPolarHBondContact CG2-OG1 3.28Å; C52-T54 VanDerWaalsContact C-N 3.33Å; C52-T54 PolarHBondContact O-N 2.9Å; T54-I73 HydrophobicContact CG2-CB 4.48Å; T54-I73 HydrophobicContact CG2-CD1 3.95Å; T54-I73 HydrophobicContact CG2-CG1 3.88Å; T54-I73 HydrophobicContact CG2-CG2 3.91Å
55	E	54.4	Low	57.8	Low	146 Å²	146	72.4 Å²	72.4	68%	0.682	40%	0.4	S	S	*	.			trans	-59	147.1	174.7	-65.1	-173.1	135.7	0	0	113.1	D57 I58	E55-D57 PolarHBondContact O-N 2.96Å; E55-I58 HydrophobicContact CB-CD1 4.48Å; E55-I58 HydrophobicContact CB-CG1 4.38Å; E55-I58 WeakPolarHBondContact O-CB 3.47Å; E55-I58 WeakPolarHBondContact O-CG1 3.43Å; E55-I58 PolarHBondContact O-N 3.42Å
56	V	50.3	Low	56.7	Low	72 Å²	72	74.9 Å²	74.9	44%	0.436	42%	0.421	S	S	.	.	H	α-helix	trans	-46	-43	-179.7	-170.9	0	0	0	0	112.5	I58 I59	V56-I58 PolarHBondContact O-N 3.44Å; V56-I58 VanDerWaalsContact O-N 3.15Å; V56-I59 WeakPolarHBondContact O-CB 3.46Å; V56-I59 PolarHBondContact O-N 3.5Å
57	D	53.5	Low	55.4	Low	95 Å²	95	71.4 Å²	71.4	51%	0.508	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-23.2	-175.4	-140.7	52.7	0	0	0	112.8	E55 K61	E55-D57 PolarHBondContact O-N 2.96Å; D57-K61 VanDerWaalsContact O-CD 3.27Å; D57-K61 WeakPolarHBondContact O-CD 3.34Å; D57-K61 WeakPolarHBondContact O-CE 3.36Å; D57-K61 WeakPolarHBondContact O-CG 3.49Å; D57-K61 PolarHBondContact O-N 3.27Å; D57-K61 WeakPolarHBondContact OD2-CE 3.45Å; D57-K61 IonicContact OD2-NZ 2.8Å; D57-K61 PolarHBondContact OD2-NZ 3.43Å
58	I	52.7	Low	54.5	Low	28 Å²	28	78.2 Å²	78.2	14%	0.144	44%	0.435	C	S	.	.	H	α-helix	trans	-75.2	-27.6	178.9	-49.6	-176.9	0	0	0	111.1	E55 V56 K61 M62 F67 I73	E55-I58 HydrophobicContact CB-CD1 4.48Å; E55-I58 HydrophobicContact CB-CG1 4.38Å; E55-I58 WeakPolarHBondContact O-CB 3.47Å; E55-I58 WeakPolarHBondContact O-CG1 3.43Å; E55-I58 PolarHBondContact O-N 3.42Å; V56-I58 PolarHBondContact O-N 3.44Å; V56-I58 VanDerWaalsContact O-N 3.15Å; I58-K61 PolarHBondContact O-N 3.38Å; I58-M62 HydrophobicContact CG2-CE 3.88Å; I58-M62 HydrophobicContact CG2-CG 4.47Å; I58-M62 WeakPolarHBondContact O-CB 3.41Å; I58-M62 WeakPolarHBondContact O-CG 3.46Å; I58-M62 PolarHBondContact O-N 3.32Å; I58-F67 HydrophobicContact CG2-CE1 3.95Å; I58-F67 HydrophobicContact CG2-CZ 3.97Å; I58-I73 HydrophobicContact CD1-CD1 4.39Å; I58-I73 HydrophobicContact CG2-CD1 3.8Å
59	I	52.4	Low	53.8	Low	21 Å²	21	80 Å²	80	11%	0.108	44%	0.444	C	S	.	.	H	α-helix	trans	-67.7	-44.2	178.2	-61.7	174.1	0	0	0	110.6	L2 K45 I48 V56 K61 M62 A63	L2-I59 HydrophobicContact CD1-CG2 4.39Å; K45-I59 HydrophobicContact CG-CD1 3.9Å; I48-I59 HydrophobicContact CD1-CD1 4.45Å; I48-I59 HydrophobicContact CG2-CD1 4.14Å; V56-I59 WeakPolarHBondContact O-CB 3.46Å; V56-I59 PolarHBondContact O-N 3.5Å; I59-K61 VanDerWaalsContact C-N 3.34Å; I59-M62 PolarHBondContact O-N 2.93Å; I59-A63 PolarHBondContact O-N 2.88Å
60	D	51.6	Low	53	Low	97 Å²	97	81.5 Å²	81.5	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-72.7	-27.4	176.3	-73.1	-21.2	0	0	0	112.3
61	K	54	Low	52	Low	71 Å²	71	79.3 Å²	79.3	31%	0.309	45%	0.45	S	S	.	.	H	α-helix	trans	-67.8	-44	167.9	-69.9	162.8	-164.3	162.9	0	111.5	D57 I58 I59 A63 K64 F67	D57-K61 VanDerWaalsContact O-CD 3.27Å; D57-K61 WeakPolarHBondContact O-CD 3.34Å; D57-K61 WeakPolarHBondContact O-CE 3.36Å; D57-K61 WeakPolarHBondContact O-CG 3.49Å; D57-K61 PolarHBondContact O-N 3.27Å; D57-K61 WeakPolarHBondContact OD2-CE 3.45Å; D57-K61 IonicContact OD2-NZ 2.8Å; D57-K61 PolarHBondContact OD2-NZ 3.43Å; I58-K61 PolarHBondContact O-N 3.38Å; I59-K61 VanDerWaalsContact C-N 3.34Å; K61-A63 PolarHBondContact O-N 3.45Å; K61-A63 VanDerWaalsContact O-N 3.15Å; K61-K64 WeakPolarHBondContact O-CB 3.46Å; K61-K64 PolarHBondContact O-N 3.01Å; K61-F67 HydrophobicContact CB-CD1 4.29Å; K61-F67 HydrophobicContact CB-CD2 3.78Å; K61-F67 HydrophobicContact CB-CE1 4.25Å; K61-F67 HydrophobicContact CB-CE2 3.76Å; K61-F67 HydrophobicContact CB-CG 4.05Å; K61-F67 HydrophobicContact CB-CZ 4Å; K61-F67 HydrophobicContact CD-CE2 4.3Å; K61-F67 HydrophobicContact CG-CE2 4.44Å; K61-F67 WeakPolarHBondContact O-CB 3.44Å; K61-F67 WeakPolarHBondContact O-CG 3.46Å
62	M	49.5	Very low	51.2	Low	40 Å²	40	82.6 Å²	82.6	20%	0.197	46%	0.461	C	S	.	.	H	α-helix	trans	-60.9	-20.1	176.4	-82.9	-167.7	-99.3	0	0	114.3	I58 I59 K64 F67 L69 I78	I58-M62 HydrophobicContact CG2-CE 3.88Å; I58-M62 HydrophobicContact CG2-CG 4.47Å; I58-M62 WeakPolarHBondContact O-CB 3.41Å; I58-M62 WeakPolarHBondContact O-CG 3.46Å; I58-M62 PolarHBondContact O-N 3.32Å; I59-M62 PolarHBondContact O-N 2.93Å; M62-K64 VanDerWaalsContact C-N 3.25Å; M62-K64 PolarHBondContact O-N 3.34Å; M62-F67 HydrophobicContact CB-CD1 4.34Å; M62-F67 HydrophobicContact CG-CD1 3.75Å; M62-F67 HydrophobicContact CG-CE1 3.76Å; M62-L69 HydrophobicContact CG-CD1 4.14Å; M62-L69 HydrophobicContact CG-CG 4.19Å; M62-L69 HydrophobicContact SD-CD1 4.25Å; M62-L69 HydrophobicContact SD-CD2 3.83Å; M62-L69 HydrophobicContact SD-CG 4.09Å; M62-I78 HydrophobicContact CE-CD1 3.79Å; M62-I78 HydrophobicContact SD-CD1 4.1Å
63	A	48.4	Very low	50.7	Low	72 Å²	72	82 Å²	82	60%	0.595	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.4	171.6	0	0	0	0	0	113.5	I59 K61	I59-A63 PolarHBondContact O-N 2.88Å; K61-A63 PolarHBondContact O-N 3.45Å; K61-A63 VanDerWaalsContact O-N 3.15Å
64	K	46.4	Very low	50.9	Low	124 Å²	124	81.8 Å²	81.8	54%	0.539	44%	0.444	S	S	.	.	S	Bend	trans	-82.1	128.7	176.3	-59.4	175.7	-176.7	173.2	0	109.7	K61 M62 T66 F67	K61-K64 WeakPolarHBondContact O-CB 3.46Å; K61-K64 PolarHBondContact O-N 3.01Å; M62-K64 VanDerWaalsContact C-N 3.25Å; M62-K64 PolarHBondContact O-N 3.34Å; K64-T66 PolarHBondContact O-N 2.96Å; K64-T66 VanDerWaalsContact O-N 3.16Å; K64-F67 HydrophobicContact CB-CB 4.33Å; K64-F67 WeakPolarHBondContact O-CB 3.45Å; K64-F67 PolarHBondContact O-N 3.2Å
65	P	44.2	Very low	51.3	Low	126 Å²	126	82.4 Å²	82.4	82%	0.818	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.7	-176.6	27.5	-35.4	0	0	0	113.7
66	T	44.5	Very low	51.9	Low	118 Å²	118	78.3 Å²	78.3	72%	0.724	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	0.5	176.1	49.8	0	0	0	0	114	K64 H68	K64-T66 PolarHBondContact O-N 2.96Å; K64-T66 VanDerWaalsContact O-N 3.16Å; T66-H68 PolarHBondContact O-N 3.27Å
67	F	43.5	Very low	52.9	Low	43 Å²	43	76 Å²	76	19%	0.189	42%	0.417	C	S	.	.			trans	-79.2	108.2	177.4	-174.1	-107.2	0	0	0	110.9	I58 K61 M62 K64 L69	I58-F67 HydrophobicContact CG2-CE1 3.95Å; I58-F67 HydrophobicContact CG2-CZ 3.97Å; K61-F67 HydrophobicContact CB-CD1 4.29Å; K61-F67 HydrophobicContact CB-CD2 3.78Å; K61-F67 HydrophobicContact CB-CE1 4.25Å; K61-F67 HydrophobicContact CB-CE2 3.76Å; K61-F67 HydrophobicContact CB-CG 4.05Å; K61-F67 HydrophobicContact CB-CZ 4Å; K61-F67 HydrophobicContact CD-CE2 4.3Å; K61-F67 HydrophobicContact CG-CE2 4.44Å; K61-F67 WeakPolarHBondContact O-CB 3.44Å; K61-F67 WeakPolarHBondContact O-CG 3.46Å; M62-F67 HydrophobicContact CB-CD1 4.34Å; M62-F67 HydrophobicContact CG-CD1 3.75Å; M62-F67 HydrophobicContact CG-CE1 3.76Å; K64-F67 HydrophobicContact CB-CB 4.33Å; K64-F67 WeakPolarHBondContact O-CB 3.45Å; K64-F67 PolarHBondContact O-N 3.2Å; F67-L69 HydrophobicContact CD1-CD1 4.38Å; F67-L69 HydrophobicContact CE1-CG 4.2Å
68	H	49.6	Very low	53.5	Low	166 Å²	166	71.7 Å²	71.7	77%	0.769	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-73.3	130.9	160.9	-67.5	-87.2	0	0	0	108.2	T66	T66-H68 PolarHBondContact O-N 3.27Å
69	L	50.9	Low	54.4	Low	45 Å²	45	72.5 Å²	72.5	24%	0.236	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-71.8	131.7	171.5	-78.5	77.7	0	0	0	108.9	M62 F67 I73 I78	M62-L69 HydrophobicContact CG-CD1 4.14Å; M62-L69 HydrophobicContact CG-CG 4.19Å; M62-L69 HydrophobicContact SD-CD1 4.25Å; M62-L69 HydrophobicContact SD-CD2 3.83Å; M62-L69 HydrophobicContact SD-CG 4.09Å; F67-L69 HydrophobicContact CD1-CD1 4.38Å; F67-L69 HydrophobicContact CE1-CG 4.2Å; L69-I73 HydrophobicContact CB-CD1 4.44Å; L69-I73 HydrophobicContact CD2-CB 4.21Å; L69-I73 HydrophobicContact CD2-CD1 4.36Å; L69-I73 HydrophobicContact CD2-CG2 3.94Å; L69-I73 HydrophobicContact CG-CD1 4.46Å; L69-I78 HydrophobicContact CD2-CD1 4.42Å
70	D	49.3	Very low	55.3	Low	103 Å²	103	75.9 Å²	75.9	55%	0.551	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-60.8	152.3	172.2	-63.4	-62.6	0	0	0	111.7	H72 I73	D70-H72 VanDerWaalsContact C-N 3.26Å; D70-H72 PolarHBondContact O-N 3.42Å; D70-H72 VanDerWaalsContact O-N 3.09Å; D70-I73 PolarHBondContact O-N 2.85Å
71	S	49.4	Very low	56.3	Low	84 Å²	84	71.4 Å²	71.4	59%	0.587	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-44.1	-167.9	44.5	0	0	0	0	114.3	I73 K127	S71-I73 VanDerWaalsContact C-N 3.26Å; S71-I73 PolarHBondContact O-N 2.76Å; S71-K127 PolarHBondContact O-NZ 2.9Å
72	H	49.7	Very low	57.1	Low	179 Å²	179	68 Å²	68	83%	0.829	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.9	-169.3	-60.5	-80.9	0	0	0	115.2	D70	D70-H72 VanDerWaalsContact C-N 3.26Å; D70-H72 PolarHBondContact O-N 3.42Å; D70-H72 VanDerWaalsContact O-N 3.09Å
73	I	54.8	Low	58.1	Low	12 Å²	12	67.5 Å²	67.5	6%	0.062	37%	0.373	C	S	.	.			trans	-84.8	125.4	-176.8	-51.9	178.8	0	0	0	111.2	T54 I58 L69 D70 S71 V75 I78 K127	T54-I73 HydrophobicContact CG2-CB 4.48Å; T54-I73 HydrophobicContact CG2-CD1 3.95Å; T54-I73 HydrophobicContact CG2-CG1 3.88Å; T54-I73 HydrophobicContact CG2-CG2 3.91Å; I58-I73 HydrophobicContact CD1-CD1 4.39Å; I58-I73 HydrophobicContact CG2-CD1 3.8Å; L69-I73 HydrophobicContact CB-CD1 4.44Å; L69-I73 HydrophobicContact CD2-CB 4.21Å; L69-I73 HydrophobicContact CD2-CD1 4.36Å; L69-I73 HydrophobicContact CD2-CG2 3.94Å; L69-I73 HydrophobicContact CG-CD1 4.46Å; D70-I73 PolarHBondContact O-N 2.85Å; S71-I73 VanDerWaalsContact C-N 3.26Å; S71-I73 PolarHBondContact O-N 2.76Å; I73-V75 PolarHBondContact O-N 3.26Å; I73-I78 HydrophobicContact CG2-CD1 3.46Å; I73-I78 VanDerWaalsContact CG2-CD1 3.46Å; I73-I78 HydrophobicContact CG2-CG1 4.46Å; I73-K127 PolarHBondContact O-NZ 3.05Å; I73-K127 VanDerWaalsContact O-NZ 3.07Å
74	S	63.4	Low	59.1	Low	63 Å²	63	69.6 Å²	69.6	44%	0.441	38%	0.375	S	S	.	.			trans	-76.6	113.1	171.2	-179.3	0	0	0	0	110.7	D76 C77 I78	S74-D76 VanDerWaalsContact C-N 3.27Å; S74-D76 PolarHBondContact O-N 3.4Å; S74-C77 PolarHBondContact O-N 3.24Å; S74-C77 PolarHBondContact OG-N 3.24Å; S74-I78 PolarHBondContact O-N 3.1Å
75	V	64.6	Low	60	Low	26 Å²	26	64.8 Å²	64.8	16%	0.158	36%	0.356	C	S	.	.	H	α-helix	trans	-66.6	-32.5	176	179	0	0	0	0	111	I73 I78 K79 F120	I73-V75 PolarHBondContact O-N 3.26Å; V75-I78 PolarHBondContact O-N 3.45Å; V75-K79 PolarHBondContact O-N 3.04Å; V75-F120 HydrophobicContact CG1-CD1 3.97Å
76	D	67.4	Low	61.1	Low	59 Å²	59	59.1 Å²	59.1	32%	0.316	32%	0.319	S	S	.	.	H	α-helix	trans	-68.3	-42.4	178.6	-69	-35.6	0	0	0	111.4	S74 I78 K79 D80 K124	S74-D76 VanDerWaalsContact C-N 3.27Å; S74-D76 PolarHBondContact O-N 3.4Å; D76-I78 VanDerWaalsContact C-N 3.3Å; D76-I78 PolarHBondContact O-N 2.92Å; D76-K79 WeakPolarHBondContact O-CA 3.47Å; D76-K79 VanDerWaalsContact O-CB 3.26Å; D76-K79 WeakPolarHBondContact O-CB 3.48Å; D76-K79 PolarHBondContact O-N 3.33Å; D76-D80 VanDerWaalsContact O-CG 3.22Å; D76-D80 PolarHBondContact O-N 3.31Å; D76-K124 IonicContact OD1-NZ 3.17Å; D76-K124 PolarHBondContact OD1-NZ 2.81Å; D76-K124 WeakPolarHBondContact OD2-CE 3.27Å; D76-K124 IonicContact OD2-NZ 3.91Å; D76-K124 PolarHBondContact OD2-NZ 2.96Å
77	C	70.8	Confident	62.1	Low	23 Å²	23	56.8 Å²	56.8	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-40.4	175.6	-175.7	0	0	0	0	112.8	N51 C52 S74 K79 D80 C81	N51-C77 PolarHBondContact O-SG 2.83Å; C52-C77 WeakPolarHBondContact CA-SG 3.44Å; C52-C77 HydrophobicContact CB-CB 3.93Å; C52-C77 WeakPolarHBondContact CB-SG 3.22Å; C52-C77 PolarHBondContact N-SG 3.48Å; C52-C77 VanDerWaalsContact N-SG 3.44Å; C52-C77 WeakPolarHBondContact SG-CB 3.43Å; C52-C77 PolarHBondContact SG-O 3.13Å; C52-C77 CovalentContact SG-SG 2.04Å; C52-C77 PolarHBondContact SG-SG 3.49Å; S74-C77 PolarHBondContact O-N 3.24Å; S74-C77 PolarHBondContact OG-N 3.24Å; C77-K79 VanDerWaalsContact C-N 3.32Å; C77-D80 PolarHBondContact O-N 3.05Å; C77-C81 PolarHBondContact O-N 3.48Å
78	I	67.2	Low	63	Low	6 Å²	6	58.4 Å²	58.4	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-70.6	-30.9	176.6	-63.2	175.6	0	0	0	111.2	M1 I48 C52 M62 L69 I73 S74 V75 D76 F82 F120	M1-I78 HydrophobicContact CE-CG2 4.05Å; I48-I78 HydrophobicContact CD1-CG2 4.5Å; C52-I78 HydrophobicContact CB-CG1 4.47Å; M62-I78 HydrophobicContact CE-CD1 3.79Å; M62-I78 HydrophobicContact SD-CD1 4.1Å; L69-I78 HydrophobicContact CD2-CD1 4.42Å; I73-I78 HydrophobicContact CG2-CD1 3.46Å; I73-I78 VanDerWaalsContact CG2-CD1 3.46Å; I73-I78 HydrophobicContact CG2-CG1 4.46Å; S74-I78 PolarHBondContact O-N 3.1Å; V75-I78 PolarHBondContact O-N 3.45Å; D76-I78 VanDerWaalsContact C-N 3.3Å; D76-I78 PolarHBondContact O-N 2.92Å; I78-F82 WeakPolarHBondContact O-CB 3.28Å; I78-F82 PolarHBondContact O-N 3.28Å; I78-F82 VanDerWaalsContact O-N 3.16Å; I78-F120 HydrophobicContact CB-CE1 4.42Å; I78-F120 HydrophobicContact CG2-CE1 4.05Å; I78-F120 HydrophobicContact CG2-CZ 4.23Å
79	K	71.2	Confident	63.5	Low	45 Å²	45	51.4 Å²	51.4	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-52.2	171.9	-175.7	-173.3	177.3	-172.9	0	110.4	V75 D76 C77 F82 M83 F120 E121	V75-K79 PolarHBondContact O-N 3.04Å; D76-K79 WeakPolarHBondContact O-CA 3.47Å; D76-K79 VanDerWaalsContact O-CB 3.26Å; D76-K79 WeakPolarHBondContact O-CB 3.48Å; D76-K79 PolarHBondContact O-N 3.33Å; C77-K79 VanDerWaalsContact C-N 3.32Å; K79-F82 PolarHBondContact O-N 3.08Å; K79-M83 HydrophobicContact CG-CG 4.33Å; K79-M83 WeakPolarHBondContact O-CB 3.43Å; K79-M83 VanDerWaalsContact O-CG 3.26Å; K79-M83 WeakPolarHBondContact O-CG 3.15Å; K79-M83 PolarHBondContact O-N 2.92Å; K79-F120 HydrophobicContact CB-CD1 3.71Å; K79-F120 HydrophobicContact CB-CD2 4.16Å; K79-F120 HydrophobicContact CB-CE1 3.77Å; K79-F120 HydrophobicContact CB-CE2 4.22Å; K79-F120 HydrophobicContact CB-CG 3.9Å; K79-F120 HydrophobicContact CB-CZ 4.02Å; K79-F120 HydrophobicContact CD-CB 4.09Å; K79-F120 HydrophobicContact CD-CG 4.3Å; K79-F120 HydrophobicContact CG-CB 4.13Å; K79-F120 HydrophobicContact CG-CD1 4.15Å; K79-F120 HydrophobicContact CG-CD2 3.82Å; K79-F120 HydrophobicContact CG-CE1 4.48Å; K79-F120 HydrophobicContact CG-CE2 4.17Å; K79-F120 HydrophobicContact CG-CG 3.8Å; K79-F120 HydrophobicContact CG-CZ 4.48Å; K79-E121 IonicContact NZ-OE1 2.83Å; K79-E121 PolarHBondContact NZ-OE1 3.43Å
80	D	71.3	Confident	64.1	Low	91 Å²	91	49.3 Å²	49.3	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-52	-176.2	-58.8	-22.4	0	0	0	110.4	D76 C77 F82 M83 D84	D76-D80 VanDerWaalsContact O-CG 3.22Å; D76-D80 PolarHBondContact O-N 3.31Å; C77-D80 PolarHBondContact O-N 3.05Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.5Å; D80-M83 PolarHBondContact O-N 3.17Å; D80-M83 VanDerWaalsContact O-N 3.09Å; D80-D84 WeakPolarHBondContact O-CB 3.4Å; D80-D84 PolarHBondContact O-N 3.42Å
81	C	71.8	Confident	64.8	Low	3 Å²	3	46.4 Å²	46.4	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-32.5	175	-84.7	0	0	0	0	114.6	L44 C47 I48 C77 T85	L44-C81 HydrophobicContact CD1-CB 4.47Å; L44-C81 WeakPolarHBondContact CD1-O 3.35Å; C47-C81 HydrophobicContact CB-CB 3.78Å; C47-C81 WeakPolarHBondContact CB-SG 3.4Å; C47-C81 PolarHBondContact O-SG 3.02Å; C47-C81 VanDerWaalsContact O-SG 3.36Å; C47-C81 WeakPolarHBondContact SG-CA 3.43Å; C47-C81 WeakPolarHBondContact SG-CB 3.49Å; C47-C81 CovalentContact SG-SG 2.04Å; C47-C81 PolarHBondContact SG-SG 3.39Å; I48-C81 HydrophobicContact CG1-CB 4.07Å; C77-C81 PolarHBondContact O-N 3.48Å; C81-T85 WeakPolarHBondContact O-CG2 3.29Å; C81-T85 PolarHBondContact O-OG1 2.84Å
82	F	70.7	Confident	65.3	Low	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-78.5	-33.1	177.2	-173.1	-96.8	0	0	0	112.5	M1 A5 L44 I78 K79 D80 T85 I86 A116 F120	M1-F82 VanDerWaalsContact CA-CE2 3.45Å; M1-F82 VanDerWaalsContact CA-CZ 3.44Å; M1-F82 HydrophobicContact CE-CB 4.11Å; M1-F82 HydrophobicContact CE-CD1 4.33Å; M1-F82 HydrophobicContact CE-CD2 3.48Å; M1-F82 VanDerWaalsContact CE-CD2 3.48Å; M1-F82 HydrophobicContact CE-CE2 3.92Å; M1-F82 HydrophobicContact CE-CG 3.72Å; M1-F82 HydrophobicContact CE-CZ 4.5Å; M1-F82 VanDerWaalsContact N-CZ 3.3Å; M1-F82 HydrophobicContact SD-CD1 4.26Å; M1-F82 HydrophobicContact SD-CD2 4.25Å; M1-F82 HydrophobicContact SD-CE1 4.27Å; M1-F82 HydrophobicContact SD-CE2 4.27Å; M1-F82 HydrophobicContact SD-CG 4.25Å; M1-F82 HydrophobicContact SD-CZ 4.28Å; A5-F82 HydrophobicContact CB-CE2 3.93Å; A5-F82 HydrophobicContact CB-CZ 4.11Å; L44-F82 HydrophobicContact CD1-CB 4.41Å; L44-F82 HydrophobicContact CD1-CD2 4.36Å; L44-F82 HydrophobicContact CD2-CD2 4.01Å; L44-F82 HydrophobicContact CD2-CE2 4.45Å; I78-F82 WeakPolarHBondContact O-CB 3.28Å; I78-F82 PolarHBondContact O-N 3.28Å; I78-F82 VanDerWaalsContact O-N 3.16Å; K79-F82 PolarHBondContact O-N 3.08Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 3.5Å; F82-T85 PolarHBondContact O-OG1 3.09Å; F82-I86 HydrophobicContact CD1-CD1 4.21Å; F82-I86 HydrophobicContact CD1-CG1 4.49Å; F82-I86 HydrophobicContact CE1-CD1 3.42Å; F82-I86 VanDerWaalsContact CE1-CD1 3.42Å; F82-I86 HydrophobicContact CE1-CG1 4.15Å; F82-I86 HydrophobicContact CE2-CD1 4.07Å; F82-I86 HydrophobicContact CZ-CD1 3.33Å; F82-I86 HydrophobicContact CZ-CG1 4.16Å; F82-I86 WeakPolarHBondContact O-CB 3.25Å; F82-I86 WeakPolarHBondContact O-CG1 3.46Å; F82-I86 PolarHBondContact O-N 3.37Å; F82-I86 VanDerWaalsContact O-N 3.09Å; F82-A116 HydrophobicContact CE1-CB 3.97Å; F82-F120 HydrophobicContact CB-CE2 4.23Å; F82-F120 HydrophobicContact CB-CZ 4.06Å; F82-F120 AromaticContact CD1-CE2 3.83Å; F82-F120 HydrophobicContact CD1-CE2 3.83Å; F82-F120 HydrophobicContact CD1-CZ 4.38Å; F82-F120 HydrophobicContact CG-CE2 4.24Å; F82-F120 HydrophobicContact CG-CZ 4.34Å
83	M	70.4	Confident	65.6	Low	29 Å²	29	37 Å²	37	14%	0.143	22%	0.221	C	C	.	.	H	α-helix	trans	-77.8	-40.9	178.1	-67.3	-63.1	-70.4	0	0	111.6	K79 D80 T85 I86 T87 I113 E117	K79-M83 HydrophobicContact CG-CG 4.33Å; K79-M83 WeakPolarHBondContact O-CB 3.43Å; K79-M83 VanDerWaalsContact O-CG 3.26Å; K79-M83 WeakPolarHBondContact O-CG 3.15Å; K79-M83 PolarHBondContact O-N 2.92Å; D80-M83 PolarHBondContact O-N 3.17Å; D80-M83 VanDerWaalsContact O-N 3.09Å; M83-T85 PolarHBondContact O-N 2.72Å; M83-I86 PolarHBondContact O-N 3.28Å; M83-T87 VanDerWaalsContact O-CB 3.25Å; M83-T87 WeakPolarHBondContact O-CB 3.42Å; M83-T87 PolarHBondContact O-N 3.42Å; M83-T87 PolarHBondContact O-OG1 3.13Å; M83-I113 HydrophobicContact CE-CG2 4.01Å; M83-E117 HydrophobicContact CE-CG 3.81Å; M83-E117 WeakPolarHBondContact CE-OE1 3.29Å; M83-E117 HydrophobicContact SD-CG 4.14Å
84	D	69.6	Low	65.9	Low	116 Å²	116	38.2 Å²	38.2	62%	0.62	23%	0.227	S	C	*	.	H	α-helix	trans	-60.6	-33.9	175.9	-76.2	-14.8	0	0	0	112.2	D80 P88	D80-D84 WeakPolarHBondContact O-CB 3.4Å; D80-D84 PolarHBondContact O-N 3.42Å; D84-P88 WeakPolarHBondContact O-CD 3.36Å; D84-P88 WeakPolarHBondContact O-CG 3.46Å
85	T	65	Low	65.7	Low	24 Å²	24	43.1 Å²	43.1	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-84.4	-40.1	177.1	50.1	0	0	0	0	113.4	Y40 C81 F82 M83	Y40-T85 PolarHBondContact OH-OG1 2.97Å; C81-T85 WeakPolarHBondContact O-CG2 3.29Å; C81-T85 PolarHBondContact O-OG1 2.84Å; F82-T85 PolarHBondContact O-OG1 3.09Å; M83-T85 PolarHBondContact O-N 2.72Å
86	I	67.4	Low	65.1	Low	6 Å²	6	45.1 Å²	45.1	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-42.1	177.9	-76.7	-156.5	0	0	0	112.6	A5 V8 Y40 F82 M83 A89 A90 I113	A5-I86 HydrophobicContact CB-CD1 3.96Å; A5-I86 HydrophobicContact CB-CG1 4.46Å; V8-I86 HydrophobicContact CG1-CG2 4.45Å; Y40-I86 HydrophobicContact CE2-CG1 4.33Å; Y40-I86 WeakPolarHBondContact OH-CG1 3.31Å; F82-I86 HydrophobicContact CD1-CD1 4.21Å; F82-I86 HydrophobicContact CD1-CG1 4.49Å; F82-I86 HydrophobicContact CE1-CD1 3.42Å; F82-I86 VanDerWaalsContact CE1-CD1 3.42Å; F82-I86 HydrophobicContact CE1-CG1 4.15Å; F82-I86 HydrophobicContact CE2-CD1 4.07Å; F82-I86 HydrophobicContact CZ-CD1 3.33Å; F82-I86 HydrophobicContact CZ-CG1 4.16Å; F82-I86 WeakPolarHBondContact O-CB 3.25Å; F82-I86 WeakPolarHBondContact O-CG1 3.46Å; F82-I86 PolarHBondContact O-N 3.37Å; F82-I86 VanDerWaalsContact O-N 3.09Å; M83-I86 PolarHBondContact O-N 3.28Å; I86-A89 PolarHBondContact O-N 3.28Å; I86-A89 VanDerWaalsContact O-N 3.09Å; I86-A90 HydrophobicContact CG2-CB 4.24Å; I86-A90 WeakPolarHBondContact O-CB 3.4Å; I86-A90 PolarHBondContact O-N 3.4Å; I86-I113 HydrophobicContact CG2-CG1 4.19Å
87	T	66.8	Low	64.5	Low	70 Å²	70	43.1 Å²	43.1	43%	0.429	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-41.8	-167	-54.5	0	0	0	0	113	M83 A91	M83-T87 VanDerWaalsContact O-CB 3.25Å; M83-T87 WeakPolarHBondContact O-CB 3.42Å; M83-T87 PolarHBondContact O-N 3.42Å; M83-T87 PolarHBondContact O-OG1 3.13Å; T87-A91 WeakPolarHBondContact O-CB 3.34Å; T87-A91 PolarHBondContact O-N 3.02Å
88	P	61.8	Low	63.9	Low	77 Å²	77	47.7 Å²	47.7	50%	0.5	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-41.5	173.2	-23.3	35	0	0	0	113.8	D84 A91 T92	D84-P88 WeakPolarHBondContact O-CD 3.36Å; D84-P88 WeakPolarHBondContact O-CG 3.46Å; P88-A91 PolarHBondContact O-N 2.9Å; P88-T92 WeakPolarHBondContact O-CB 3.49Å; P88-T92 PolarHBondContact O-N 3.41Å; P88-T92 PolarHBondContact O-OG1 3.49Å
89	A	59.8	Low	63.1	Low	18 Å²	18	57 Å²	57	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-45.7	179.3	0	0	0	0	0	111.2	L9 I86 T92 A93	L9-A89 HydrophobicContact CD2-CB 3.95Å; I86-A89 PolarHBondContact O-N 3.28Å; I86-A89 VanDerWaalsContact O-N 3.09Å; A89-T92 WeakPolarHBondContact O-CB 3.21Å; A89-T92 PolarHBondContact O-N 3.13Å; A89-T92 VanDerWaalsContact O-N 3.16Å; A89-A93 PolarHBondContact O-N 3.07Å
90	A	64.1	Low	62.3	Low	2 Å²	2	57.8 Å²	57.8	2%	0.017	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-42.2	174.9	0	0	0	0	0	112.9	V8 I86 T92 A93 E94 I109 I113	V8-A90 HydrophobicContact CG1-CB 4.2Å; I86-A90 HydrophobicContact CG2-CB 4.24Å; I86-A90 WeakPolarHBondContact O-CB 3.4Å; I86-A90 PolarHBondContact O-N 3.4Å; A90-T92 PolarHBondContact O-N 2.78Å; A90-A93 WeakPolarHBondContact O-CB 3.21Å; A90-A93 PolarHBondContact O-N 3.45Å; A90-E94 PolarHBondContact O-N 3.39Å; A90-I109 HydrophobicContact CB-CG2 3.7Å; A90-I113 HydrophobicContact CB-CD1 3.74Å
91	A	64.4	Low	61.5	Low	42 Å²	42	56.3 Å²	56.3	35%	0.347	31%	0.312	S	S	.	.	H	α-helix	trans	-69.1	-13.9	175.2	0	0	0	0	0	113.4	T87 P88 R95	T87-A91 WeakPolarHBondContact O-CB 3.34Å; T87-A91 PolarHBondContact O-N 3.02Å; P88-A91 PolarHBondContact O-N 2.9Å; A91-R95 PolarHBondContact O-NE 3.08Å; A91-R95 PolarHBondContact O-NH2 2.74Å; A91-R95 VanDerWaalsContact O-NH2 3.17Å
92	T	58.9	Low	60.4	Low	64 Å²	64	63.6 Å²	63.6	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-85.9	-47.4	169.9	-57	0	0	0	0	109.9	P88 A89 A90 E94 R95 I96	P88-T92 WeakPolarHBondContact O-CB 3.49Å; P88-T92 PolarHBondContact O-N 3.41Å; P88-T92 PolarHBondContact O-OG1 3.49Å; A89-T92 WeakPolarHBondContact O-CB 3.21Å; A89-T92 PolarHBondContact O-N 3.13Å; A89-T92 VanDerWaalsContact O-N 3.16Å; A90-T92 PolarHBondContact O-N 2.78Å; T92-E94 PolarHBondContact O-N 3.2Å; T92-R95 WeakPolarHBondContact O-CB 3.41Å; T92-R95 PolarHBondContact O-N 3.05Å; T92-R95 VanDerWaalsContact O-N 3.08Å; T92-I96 HydrophobicContact CG2-CD1 4.22Å; T92-I96 WeakPolarHBondContact O-CG1 3.43Å; T92-I96 PolarHBondContact O-N 3.34Å; T92-I96 VanDerWaalsContact O-N 3.11Å
93	A	56.1	Low	60	Low	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-52	-52.3	172.7	0	0	0	0	0	113	A12 A89 A90 R95 I96 Y97 I109	A12-A93 VanDerWaalsContact CA-CB 3.48Å; A12-A93 HydrophobicContact CB-CB 3.53Å; A89-A93 PolarHBondContact O-N 3.07Å; A90-A93 WeakPolarHBondContact O-CB 3.21Å; A90-A93 PolarHBondContact O-N 3.45Å; A93-R95 PolarHBondContact O-N 3.15Å; A93-I96 PolarHBondContact O-N 3.43Å; A93-I96 VanDerWaalsContact O-N 3.15Å; A93-Y97 WeakPolarHBondContact O-CD2 3.36Å; A93-Y97 PolarHBondContact O-N 2.81Å; A93-I109 HydrophobicContact CB-CD1 3.55Å
94	E	61.3	Low	59.5	Low	39 Å²	39	76.9 Å²	76.9	18%	0.182	40%	0.401	C	S	.	.	H	α-helix	trans	-57.2	-35.8	178	-75.5	-161.8	-145.9	0	0	112.4	A90 T92 K98 V106 I109 K110	A90-E94 PolarHBondContact O-N 3.39Å; T92-E94 PolarHBondContact O-N 3.2Å; E94-K98 VanDerWaalsContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CB 3.4Å; E94-K98 VanDerWaalsContact O-CG 3.29Å; E94-K98 WeakPolarHBondContact O-CG 3.37Å; E94-K98 PolarHBondContact O-N 3Å; E94-V106 HydrophobicContact CB-CG1 4.46Å; E94-V106 HydrophobicContact CG-CG1 3.95Å; E94-I109 HydrophobicContact CG-CD1 4.37Å; E94-I109 HydrophobicContact CG-CG2 4.46Å; E94-K110 WeakPolarHBondContact OE1-CE 3.24Å; E94-K110 IonicContact OE1-NZ 2.69Å; E94-K110 WeakPolarHBondContact OE2-CE 3.3Å; E94-K110 IonicContact OE2-NZ 3.64Å; E94-K110 PolarHBondContact OE2-NZ 2.74Å
95	R	58.2	Low	58.8	Low	166 Å²	166	72.1 Å²	72.1	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-70.3	-38.9	178.9	-100.6	179.3	-69.5	170.4	1	112.4	A91 T92 A93 K99	A91-R95 PolarHBondContact O-NE 3.08Å; A91-R95 PolarHBondContact O-NH2 2.74Å; A91-R95 VanDerWaalsContact O-NH2 3.17Å; T92-R95 WeakPolarHBondContact O-CB 3.41Å; T92-R95 PolarHBondContact O-N 3.05Å; T92-R95 VanDerWaalsContact O-N 3.08Å; A93-R95 PolarHBondContact O-N 3.15Å; R95-K99 WeakPolarHBondContact O-CB 3.32Å; R95-K99 PolarHBondContact O-N 3.32Å; R95-K99 VanDerWaalsContact O-N 3.13Å
96	I	52.7	Low	58.7	Low	68 Å²	68	71.3 Å²	71.3	35%	0.349	37%	0.371	S	S	.	.	H	α-helix	trans	-70.9	-48.8	178.8	-56.4	165	0	0	0	109.6	A15 T92 A93 K98 K99 A100	A15-I96 HydrophobicContact CB-CB 4.16Å; A15-I96 HydrophobicContact CB-CG2 3.55Å; T92-I96 HydrophobicContact CG2-CD1 4.22Å; T92-I96 WeakPolarHBondContact O-CG1 3.43Å; T92-I96 PolarHBondContact O-N 3.34Å; T92-I96 VanDerWaalsContact O-N 3.11Å; A93-I96 PolarHBondContact O-N 3.43Å; A93-I96 VanDerWaalsContact O-N 3.15Å; I96-K98 PolarHBondContact O-N 3.32Å; I96-K99 WeakPolarHBondContact O-CA 3.13Å; I96-K99 WeakPolarHBondContact O-CB 3.4Å; I96-K99 PolarHBondContact O-N 2.82Å; I96-K99 VanDerWaalsContact O-N 3.09Å; I96-A100 PolarHBondContact O-N 2.79Å
97	Y	54.2	Low	58.7	Low	17 Å²	17	74.4 Å²	74.4	7%	0.067	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-38.2	179.3	-77.2	-64.5	0	0	0	113.7	V11 S14 A15 A93 K99 A100 G101 W102 P105 I109	V11-Y97 HydrophobicContact CG1-CD2 4.42Å; V11-Y97 HydrophobicContact CG1-CE2 3.48Å; V11-Y97 VanDerWaalsContact CG1-CE2 3.48Å; V11-Y97 WeakPolarHBondContact O-CE2 3.27Å; V11-Y97 PolarHBondContact O-OH 3.34Å; S14-Y97 PolarHBondContact OG-OH 3.28Å; A15-Y97 HydrophobicContact CB-CD1 4.31Å; A15-Y97 HydrophobicContact CB-CD2 4.38Å; A15-Y97 HydrophobicContact CB-CE1 3.92Å; A15-Y97 HydrophobicContact CB-CE2 3.99Å; A93-Y97 WeakPolarHBondContact O-CD2 3.36Å; A93-Y97 PolarHBondContact O-N 2.81Å; Y97-K99 VanDerWaalsContact C-N 3.33Å; Y97-K99 PolarHBondContact O-N 3.39Å; Y97-A100 CarbonylContact O-C 3.59Å; Y97-A100 PolarHBondContact O-N 3.01Å; Y97-A100 VanDerWaalsContact O-N 3.14Å; Y97-G101 PolarHBondContact O-N 3.32Å; Y97-G101 VanDerWaalsContact O-N 3.12Å; Y97-W102 HydrophobicContact CD1-CB 4.27Å; Y97-W102 HydrophobicContact CD1-CE3 4.39Å; Y97-W102 HydrophobicContact CE1-CE3 4.25Å; Y97-W102 PolarHBondContact O-N 3.27Å; Y97-P105 HydrophobicContact CD1-CB 3.78Å; Y97-P105 HydrophobicContact CD1-CG 3.65Å; Y97-P105 HydrophobicContact CD2-CB 3.67Å; Y97-P105 HydrophobicContact CD2-CG 4.46Å; Y97-P105 HydrophobicContact CE1-CB 3.77Å; Y97-P105 HydrophobicContact CE1-CG 3.61Å; Y97-P105 HydrophobicContact CE2-CB 3.64Å; Y97-P105 HydrophobicContact CE2-CG 4.42Å; Y97-P105 HydrophobicContact CG-CB 3.71Å; Y97-P105 HydrophobicContact CG-CG 4.07Å; Y97-I109 HydrophobicContact CD2-CD1 4.24Å
98	K	58.9	Low	58.6	Low	119 Å²	119	76 Å²	76	52%	0.517	39%	0.393	S	S	.	.	H	α-helix	trans	-64.3	-35.4	171.1	-76.5	-168.7	170.8	-163.1	0	112.9	E94 I96 A100 G101 V106	E94-K98 VanDerWaalsContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CB 3.4Å; E94-K98 VanDerWaalsContact O-CG 3.29Å; E94-K98 WeakPolarHBondContact O-CG 3.37Å; E94-K98 PolarHBondContact O-N 3Å; I96-K98 PolarHBondContact O-N 3.32Å; K98-A100 VanDerWaalsContact C-N 3.3Å; K98-G101 PolarHBondContact O-N 3.45Å; K98-G101 VanDerWaalsContact O-N 3.17Å; K98-V106 HydrophobicContact CG-CG2 3.91Å
99	K	51.6	Low	58.7	Low	200 Å²	200	72.3 Å²	72.3	87%	0.87	37%	0.369	S	S	*	.	H	α-helix	trans	-65	-32.7	171.4	-92.5	-171.3	169.3	-171.7	0	112.8	R95 I96 Y97 G101	R95-K99 WeakPolarHBondContact O-CB 3.32Å; R95-K99 PolarHBondContact O-N 3.32Å; R95-K99 VanDerWaalsContact O-N 3.13Å; I96-K99 WeakPolarHBondContact O-CA 3.13Å; I96-K99 WeakPolarHBondContact O-CB 3.4Å; I96-K99 PolarHBondContact O-N 2.82Å; I96-K99 VanDerWaalsContact O-N 3.09Å; Y97-K99 VanDerWaalsContact C-N 3.33Å; Y97-K99 PolarHBondContact O-N 3.39Å; K99-G101 VanDerWaalsContact C-N 3.26Å; K99-G101 PolarHBondContact O-N 2.91Å
100	A	53	Low	59.2	Low	62 Å²	62	75.7 Å²	75.7	51%	0.512	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.6	173.6	0	0	0	0	0	113.9	I96 Y97 K98 W102	I96-A100 PolarHBondContact O-N 2.79Å; Y97-A100 CarbonylContact O-C 3.59Å; Y97-A100 PolarHBondContact O-N 3.01Å; Y97-A100 VanDerWaalsContact O-N 3.14Å; K98-A100 VanDerWaalsContact C-N 3.3Å; A100-W102 VanDerWaalsContact C-N 3.31Å; A100-W102 VanDerWaalsContact O-CD1 3.29Å; A100-W102 PolarHBondContact O-N 2.81Å
101	G	55.5	Low	59.5	Low	61 Å²	61	82 Å²	82	63%	0.629	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	17.8	-176.8	0	0	0	0	0	114.6	Y97 K98 K99	Y97-G101 PolarHBondContact O-N 3.32Å; Y97-G101 VanDerWaalsContact O-N 3.12Å; K98-G101 PolarHBondContact O-N 3.45Å; K98-G101 VanDerWaalsContact O-N 3.17Å; K99-G101 VanDerWaalsContact C-N 3.26Å; K99-G101 PolarHBondContact O-N 2.91Å
102	W	48	Very low	59.4	Low	155 Å²	155	81.3 Å²	81.3	59%	0.587	40%	0.4	S	S	*	.			trans	-103	107.2	-177	-73.8	20.7	0	0	0	110.5	Y97 A100 P105 V106	Y97-W102 HydrophobicContact CD1-CB 4.27Å; Y97-W102 HydrophobicContact CD1-CE3 4.39Å; Y97-W102 HydrophobicContact CE1-CE3 4.25Å; Y97-W102 PolarHBondContact O-N 3.27Å; A100-W102 VanDerWaalsContact C-N 3.31Å; A100-W102 VanDerWaalsContact O-CD1 3.29Å; A100-W102 PolarHBondContact O-N 2.81Å; W102-P105 HydrophobicContact CB-CG 4.41Å; W102-P105 HydrophobicContact CE3-CG 4.27Å; W102-V106 WeakPolarHBondContact O-CG2 3.33Å
103	E	62.2	Low	59.8	Low	142 Å²	142	79.7 Å²	79.7	66%	0.664	39%	0.388	S	S	*	.	H	α-helix	trans	-84.2	-26.9	179.3	-63.6	-152.8	120.4	0	0	114	V106 T107	E103-V106 WeakPolarHBondContact O-CB 3.47Å; E103-V106 PolarHBondContact O-N 3.44Å; E103-T107 PolarHBondContact O-N 3.39Å
104	E	61	Low	60.5	Low	166 Å²	166	86.8 Å²	86.8	78%	0.776	42%	0.419	S	S	*	.	H	α-helix	trans	-56.4	-51.5	-178.3	-70.5	-177	133.7	0	0	113	V106 T107 E108	E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 2.97Å; E104-T107 PolarHBondContact O-N 2.81Å; E104-T107 PolarHBondContact O-OG1 2.67Å; E104-E108 PolarHBondContact O-N 2.72Å
105	P	54.8	Low	60.8	Low	17 Å²	17	92.1 Å²	92.1	11%	0.11	44%	0.438	C	S	.	.	H	α-helix	trans	-63.8	-33.3	180	-21.6	35.3	0	0	0	112.5	V11 Y97 W102 T107 E108 I109	V11-P105 HydrophobicContact CG1-CB 4.19Å; Y97-P105 HydrophobicContact CD1-CB 3.78Å; Y97-P105 HydrophobicContact CD1-CG 3.65Å; Y97-P105 HydrophobicContact CD2-CB 3.67Å; Y97-P105 HydrophobicContact CD2-CG 4.46Å; Y97-P105 HydrophobicContact CE1-CB 3.77Å; Y97-P105 HydrophobicContact CE1-CG 3.61Å; Y97-P105 HydrophobicContact CE2-CB 3.64Å; Y97-P105 HydrophobicContact CE2-CG 4.42Å; Y97-P105 HydrophobicContact CG-CB 3.71Å; Y97-P105 HydrophobicContact CG-CG 4.07Å; W102-P105 HydrophobicContact CB-CG 4.41Å; W102-P105 HydrophobicContact CE3-CG 4.27Å; P105-T107 VanDerWaalsContact C-N 3.32Å; P105-T107 PolarHBondContact O-N 3.22Å; P105-E108 PolarHBondContact O-N 3.35Å; P105-I109 VanDerWaalsContact O-CD1 3.29Å; P105-I109 WeakPolarHBondContact O-CD1 3.3Å; P105-I109 WeakPolarHBondContact O-CG1 3.36Å; P105-I109 PolarHBondContact O-N 2.96Å
106	V	62.9	Low	61	Low	6 Å²	6	84.3 Å²	84.3	4%	0.036	41%	0.41	C	S	.	.	H	α-helix	trans	-61.5	-41.1	174.4	179.1	0	0	0	0	110.6	E94 K98 W102 E103 E104 K110	E94-V106 HydrophobicContact CB-CG1 4.46Å; E94-V106 HydrophobicContact CG-CG1 3.95Å; K98-V106 HydrophobicContact CG-CG2 3.91Å; W102-V106 WeakPolarHBondContact O-CG2 3.33Å; E103-V106 WeakPolarHBondContact O-CB 3.47Å; E103-V106 PolarHBondContact O-N 3.44Å; E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 2.97Å; V106-K110 WeakPolarHBondContact O-CG 3.49Å; V106-K110 PolarHBondContact O-N 3.15Å
107	T	67.2	Low	61.6	Low	71 Å²	71	84.7 Å²	84.7	44%	0.436	41%	0.41	S	S	.	.	H	α-helix	trans	-70.9	-36.5	175.5	65.2	0	0	0	0	112.5	E103 E104 P105 K110 Q111	E103-T107 PolarHBondContact O-N 3.39Å; E104-T107 PolarHBondContact O-N 2.81Å; E104-T107 PolarHBondContact O-OG1 2.67Å; P105-T107 VanDerWaalsContact C-N 3.32Å; P105-T107 PolarHBondContact O-N 3.22Å; T107-K110 PolarHBondContact O-N 3.02Å; T107-Q111 WeakPolarHBondContact O-CG 3.41Å; T107-Q111 PolarHBondContact O-N 3.36Å
108	E	64.6	Low	62.1	Low	103 Å²	103	86.5 Å²	86.5	48%	0.481	43%	0.429	S	S	.	.	H	α-helix	trans	-67.6	-42.7	179.1	-164.7	175.9	-140.6	0	0	112.2	E104 P105 K110 Q111 M112	E104-E108 PolarHBondContact O-N 2.72Å; P105-E108 PolarHBondContact O-N 3.35Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 2.98Å; E108-Q111 PolarHBondContact O-N 2.67Å; E108-M112 HydrophobicContact CG-CE 4.42Å; E108-M112 PolarHBondContact O-N 3.41Å
109	I	63.1	Low	62.2	Low	0 Å²	0	82.6 Å²	82.6	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-54.3	-48.4	171.1	-67.7	156.3	0	0	0	110.4	V11 A90 A93 E94 Y97 P105 Q111 M112 I113	V11-I109 HydrophobicContact CG1-CD1 3.87Å; V11-I109 HydrophobicContact CG1-CG1 3.76Å; A90-I109 HydrophobicContact CB-CG2 3.7Å; A93-I109 HydrophobicContact CB-CD1 3.55Å; E94-I109 HydrophobicContact CG-CD1 4.37Å; E94-I109 HydrophobicContact CG-CG2 4.46Å; Y97-I109 HydrophobicContact CD2-CD1 4.24Å; P105-I109 VanDerWaalsContact O-CD1 3.29Å; P105-I109 WeakPolarHBondContact O-CD1 3.3Å; P105-I109 WeakPolarHBondContact O-CG1 3.36Å; P105-I109 PolarHBondContact O-N 2.96Å; I109-Q111 PolarHBondContact O-N 3.19Å; I109-M112 PolarHBondContact O-N 2.78Å; I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.08Å; I109-I113 PolarHBondContact O-N 3.08Å
110	K	70.4	Confident	62.8	Low	90 Å²	90	73.6 Å²	73.6	39%	0.391	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-38.8	179.6	-73.2	178.8	-173.6	178.5	0	113.2	E94 V106 T107 E108 K114	E94-K110 WeakPolarHBondContact OE1-CE 3.24Å; E94-K110 IonicContact OE1-NZ 2.69Å; E94-K110 WeakPolarHBondContact OE2-CE 3.3Å; E94-K110 IonicContact OE2-NZ 3.64Å; E94-K110 PolarHBondContact OE2-NZ 2.74Å; V106-K110 WeakPolarHBondContact O-CG 3.49Å; V106-K110 PolarHBondContact O-N 3.15Å; T107-K110 PolarHBondContact O-N 3.02Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 2.98Å; K110-K114 PolarHBondContact O-N 2.83Å; K110-K114 VanDerWaalsContact O-N 3.12Å
111	Q	70.5	Confident	63.3	Low	134 Å²	134	74 Å²	74	63%	0.626	37%	0.367	S	S	*	.	H	α-helix	trans	-65.7	-41.6	175	-71.8	-179.9	28.3	0	0	111.1	T107 E108 I109 K114 Y115	T107-Q111 WeakPolarHBondContact O-CG 3.41Å; T107-Q111 PolarHBondContact O-N 3.36Å; E108-Q111 PolarHBondContact O-N 2.67Å; I109-Q111 PolarHBondContact O-N 3.19Å; Q111-K114 PolarHBondContact O-N 3.18Å; Q111-Y115 VanDerWaalsContact O-CB 3.31Å; Q111-Y115 WeakPolarHBondContact O-CB 3.42Å; Q111-Y115 PolarHBondContact O-N 3.45Å
112	M	63.5	Low	63.5	Low	28 Å²	28	74.3 Å²	74.3	14%	0.138	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-38	176.7	-80.9	-160.3	-78	0	0	113.7	V4 T7 V8 E108 I109 Y115 A116	V4-M112 HydrophobicContact CG1-CB 3.93Å; V4-M112 HydrophobicContact CG1-CG 4.32Å; V4-M112 HydrophobicContact CG1-SD 4.15Å; T7-M112 HydrophobicContact CG2-CE 3.74Å; T7-M112 HydrophobicContact CG2-SD 3.75Å; V8-M112 HydrophobicContact CG2-CB 3.99Å; V8-M112 HydrophobicContact CG2-CE 3.67Å; V8-M112 HydrophobicContact CG2-SD 4.02Å; E108-M112 HydrophobicContact CG-CE 4.42Å; E108-M112 PolarHBondContact O-N 3.41Å; I109-M112 PolarHBondContact O-N 2.78Å; M112-Y115 PolarHBondContact O-N 2.84Å; M112-A116 PolarHBondContact O-N 3.02Å
113	I	66.4	Low	63.9	Low	30 Å²	30	71.7 Å²	71.7	15%	0.154	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-53.1	173.8	-66.9	166	0	0	0	110.1	M83 I86 A90 I109 Y115 A116 E117	M83-I113 HydrophobicContact CE-CG2 4.01Å; I86-I113 HydrophobicContact CG2-CG1 4.19Å; A90-I113 HydrophobicContact CB-CD1 3.74Å; I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.08Å; I109-I113 PolarHBondContact O-N 3.08Å; I113-Y115 PolarHBondContact O-N 3.12Å; I113-A116 WeakPolarHBondContact O-CA 3.35Å; I113-A116 WeakPolarHBondContact O-CB 3.5Å; I113-A116 PolarHBondContact O-N 2.98Å; I113-E117 WeakPolarHBondContact O-CG 3.46Å; I113-E117 PolarHBondContact O-N 3.44Å
114	K	70.5	Confident	63.5	Low	149 Å²	149	69 Å²	69	65%	0.648	34%	0.335	S	S	*	.	H	α-helix	trans	-58	-36.4	177.3	-75.7	-172.9	173.4	-172.4	0	112.9	K110 Q111 A118	K110-K114 PolarHBondContact O-N 2.83Å; K110-K114 VanDerWaalsContact O-N 3.12Å; Q111-K114 PolarHBondContact O-N 3.18Å; K114-A118 WeakPolarHBondContact O-CB 3.26Å; K114-A118 PolarHBondContact O-N 3.3Å
115	Y	67.2	Low	63	Low	150 Å²	150	67.6 Å²	67.6	59%	0.588	33%	0.327	S	S	*	.	H	α-helix	trans	-67.2	-39.6	174.7	-177.4	-101.9	0	0	0	112	Q111 M112 I113 A118 V119	Q111-Y115 VanDerWaalsContact O-CB 3.31Å; Q111-Y115 WeakPolarHBondContact O-CB 3.42Å; Q111-Y115 PolarHBondContact O-N 3.45Å; M112-Y115 PolarHBondContact O-N 2.84Å; I113-Y115 PolarHBondContact O-N 3.12Å; Y115-A118 PolarHBondContact O-N 3.08Å; Y115-V119 HydrophobicContact CD1-CG2 4.28Å; Y115-V119 HydrophobicContact CE1-CG2 3.86Å; Y115-V119 HydrophobicContact CE2-CG2 4.3Å; Y115-V119 VanDerWaalsContact O-CG2 3.3Å; Y115-V119 WeakPolarHBondContact O-CG2 3.43Å; Y115-V119 PolarHBondContact O-N 3.18Å
116	A	62	Low	62.7	Low	3 Å²	3	70.5 Å²	70.5	3%	0.025	35%	0.352	C	S	.	.	H	α-helix	trans	-63.1	-46.2	174	0	0	0	0	0	111.9	F82 M112 I113 A118 V119 F120	F82-A116 HydrophobicContact CE1-CB 3.97Å; M112-A116 PolarHBondContact O-N 3.02Å; I113-A116 WeakPolarHBondContact O-CA 3.35Å; I113-A116 WeakPolarHBondContact O-CB 3.5Å; I113-A116 PolarHBondContact O-N 2.98Å; A116-A118 PolarHBondContact O-N 3.07Å; A116-V119 PolarHBondContact O-N 3.38Å; A116-F120 VanDerWaalsContact O-CD2 3.26Å; A116-F120 WeakPolarHBondContact O-CD2 3.31Å; A116-F120 PolarHBondContact O-N 3.45Å
117	E	65.6	Low	61.6	Low	75 Å²	75	76 Å²	76	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-57	-47.3	174.1	-66	176	136.7	0	0	111.6	M83 I113 V119 F120 E121	M83-E117 HydrophobicContact CE-CG 3.81Å; M83-E117 WeakPolarHBondContact CE-OE1 3.29Å; M83-E117 HydrophobicContact SD-CG 4.14Å; I113-E117 WeakPolarHBondContact O-CG 3.46Å; I113-E117 PolarHBondContact O-N 3.44Å; E117-V119 VanDerWaalsContact C-N 3.31Å; E117-V119 PolarHBondContact O-N 3.1Å; E117-F120 WeakPolarHBondContact O-CB 3.48Å; E117-F120 PolarHBondContact O-N 3.17Å; E117-F120 VanDerWaalsContact O-N 3.12Å; E117-E121 PolarHBondContact O-N 3.34Å
118	A	65.5	Low	60	Low	56 Å²	56	76.3 Å²	76.3	46%	0.463	39%	0.385	S	S	.	.	H	α-helix	trans	-64.6	-31.9	177.8	0	0	0	0	0	113.3	K114 Y115 A116 S122	K114-A118 WeakPolarHBondContact O-CB 3.26Å; K114-A118 PolarHBondContact O-N 3.3Å; Y115-A118 PolarHBondContact O-N 3.08Å; A116-A118 PolarHBondContact O-N 3.07Å; A118-S122 VanDerWaalsContact O-CB 3.32Å; A118-S122 WeakPolarHBondContact O-CB 3.18Å; A118-S122 PolarHBondContact O-N 3.49Å; A118-S122 PolarHBondContact O-OG 2.99Å
119	V	61.9	Low	58.2	Low	37 Å²	37	77.2 Å²	77.2	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-69.8	-35.4	172.7	168	0	0	0	0	111.5	Y115 A116 E117 S122 R123	Y115-V119 HydrophobicContact CD1-CG2 4.28Å; Y115-V119 HydrophobicContact CE1-CG2 3.86Å; Y115-V119 HydrophobicContact CE2-CG2 4.3Å; Y115-V119 VanDerWaalsContact O-CG2 3.3Å; Y115-V119 WeakPolarHBondContact O-CG2 3.43Å; Y115-V119 PolarHBondContact O-N 3.18Å; A116-V119 PolarHBondContact O-N 3.38Å; E117-V119 VanDerWaalsContact C-N 3.31Å; E117-V119 PolarHBondContact O-N 3.1Å; V119-S122 WeakPolarHBondContact CA-OG 3.43Å; V119-S122 PolarHBondContact O-OG 2.92Å; V119-R123 WeakPolarHBondContact O-CB 3.42Å; V119-R123 WeakPolarHBondContact O-CG 3.45Å; V119-R123 PolarHBondContact O-N 3.37Å; V119-R123 VanDerWaalsContact O-N 3.15Å
120	F	63.1	Low	56.4	Low	11 Å²	11	82 Å²	82	5%	0.048	42%	0.423	C	S	.	.	H	α-helix	trans	-66.9	-49.5	171.2	-80.9	-70.2	0	0	0	111.9	M1 V75 I78 K79 F82 A116 E117 S122 R123 K124	M1-F120 HydrophobicContact CE-CE1 4.25Å; M1-F120 HydrophobicContact CE-CE2 4.17Å; M1-F120 HydrophobicContact CE-CZ 3.47Å; M1-F120 VanDerWaalsContact CE-CZ 3.47Å; M1-F120 HydrophobicContact SD-CD2 4.46Å; M1-F120 HydrophobicContact SD-CE1 4.09Å; M1-F120 HydrophobicContact SD-CE2 3.54Å; M1-F120 VanDerWaalsContact SD-CE2 3.54Å; M1-F120 HydrophobicContact SD-CZ 3.33Å; M1-F120 WeakPolarHBondContact SD-CZ 3.41Å; V75-F120 HydrophobicContact CG1-CD1 3.97Å; I78-F120 HydrophobicContact CB-CE1 4.42Å; I78-F120 HydrophobicContact CG2-CE1 4.05Å; I78-F120 HydrophobicContact CG2-CZ 4.23Å; K79-F120 HydrophobicContact CB-CD1 3.71Å; K79-F120 HydrophobicContact CB-CD2 4.16Å; K79-F120 HydrophobicContact CB-CE1 3.77Å; K79-F120 HydrophobicContact CB-CE2 4.22Å; K79-F120 HydrophobicContact CB-CG 3.9Å; K79-F120 HydrophobicContact CB-CZ 4.02Å; K79-F120 HydrophobicContact CD-CB 4.09Å; K79-F120 HydrophobicContact CD-CG 4.3Å; K79-F120 HydrophobicContact CG-CB 4.13Å; K79-F120 HydrophobicContact CG-CD1 4.15Å; K79-F120 HydrophobicContact CG-CD2 3.82Å; K79-F120 HydrophobicContact CG-CE1 4.48Å; K79-F120 HydrophobicContact CG-CE2 4.17Å; K79-F120 HydrophobicContact CG-CG 3.8Å; K79-F120 HydrophobicContact CG-CZ 4.48Å; F82-F120 HydrophobicContact CB-CE2 4.23Å; F82-F120 HydrophobicContact CB-CZ 4.06Å; F82-F120 AromaticContact CD1-CE2 3.83Å; F82-F120 HydrophobicContact CD1-CE2 3.83Å; F82-F120 HydrophobicContact CD1-CZ 4.38Å; F82-F120 HydrophobicContact CG-CE2 4.24Å; F82-F120 HydrophobicContact CG-CZ 4.34Å; A116-F120 VanDerWaalsContact O-CD2 3.26Å; A116-F120 WeakPolarHBondContact O-CD2 3.31Å; A116-F120 PolarHBondContact O-N 3.45Å; E117-F120 WeakPolarHBondContact O-CB 3.48Å; E117-F120 PolarHBondContact O-N 3.17Å; E117-F120 VanDerWaalsContact O-N 3.12Å; F120-S122 PolarHBondContact O-N 2.95Å; F120-R123 CarbonylContact O-C 3.57Å; F120-R123 PolarHBondContact O-N 3.46Å; F120-K124 WeakPolarHBondContact O-CB 3.09Å; F120-K124 PolarHBondContact O-N 2.98Å
121	E	64	Low	54.1	Low	70 Å²	70	89.8 Å²	89.8	33%	0.327	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-34.4	-179.2	-66.7	-53.6	142.4	0	0	113.2	K79 E117 K124 K125	K79-E121 IonicContact NZ-OE1 2.83Å; K79-E121 PolarHBondContact NZ-OE1 3.43Å; E117-E121 PolarHBondContact O-N 3.34Å; E121-K124 PolarHBondContact O-N 3.21Å; E121-K125 WeakPolarHBondContact O-CG 3.42Å; E121-K125 PolarHBondContact O-N 3.09Å
122	S	58.4	Low	51.9	Low	67 Å²	67	90 Å²	90	47%	0.469	46%	0.456	S	S	.	.	H	α-helix	trans	-69.2	-36.4	172.8	55.8	0	0	0	0	112.5	A118 V119 F120 K125 A126	A118-S122 VanDerWaalsContact O-CB 3.32Å; A118-S122 WeakPolarHBondContact O-CB 3.18Å; A118-S122 PolarHBondContact O-N 3.49Å; A118-S122 PolarHBondContact O-OG 2.99Å; V119-S122 WeakPolarHBondContact CA-OG 3.43Å; V119-S122 PolarHBondContact O-OG 2.92Å; F120-S122 PolarHBondContact O-N 2.95Å; S122-K125 PolarHBondContact O-N 3.18Å; S122-A126 WeakPolarHBondContact O-CB 3.34Å; S122-A126 PolarHBondContact O-N 2.95Å
123	R	56.5	Low	50.1	Low	100 Å²	100	94.2 Å²	94.2	38%	0.377	49%	0.485	S	S	.	.	H	α-helix	trans	-69.8	-33.6	171.3	-75.5	-177.8	168.6	-151.2	-7	112.8	V119 F120 A126 K127	V119-R123 WeakPolarHBondContact O-CB 3.42Å; V119-R123 WeakPolarHBondContact O-CG 3.45Å; V119-R123 PolarHBondContact O-N 3.37Å; V119-R123 VanDerWaalsContact O-N 3.15Å; F120-R123 CarbonylContact O-C 3.57Å; F120-R123 PolarHBondContact O-N 3.46Å; R123-A126 PolarHBondContact O-N 2.9Å; R123-K127 PolarHBondContact O-N 3.38Å
124	K	54.2	Low	48	Very low	86 Å²	86	102.3 Å²	102.3	37%	0.374	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-46.6	171.2	-167.4	167.8	-169.5	157.5	0	110.9	D76 F120 E121 A126 K127	D76-K124 IonicContact OD1-NZ 3.17Å; D76-K124 PolarHBondContact OD1-NZ 2.81Å; D76-K124 WeakPolarHBondContact OD2-CE 3.27Å; D76-K124 IonicContact OD2-NZ 3.91Å; D76-K124 PolarHBondContact OD2-NZ 2.96Å; F120-K124 WeakPolarHBondContact O-CB 3.09Å; F120-K124 PolarHBondContact O-N 2.98Å; E121-K124 PolarHBondContact O-N 3.21Å; K124-A126 VanDerWaalsContact C-N 3.35Å; K124-A126 PolarHBondContact O-N 3.34Å; K124-K127 PolarHBondContact O-N 3.26Å
125	K	51.3	Low	45.9	Very low	137 Å²	137	105.8 Å²	105.8	60%	0.596	53%	0.53	S	S	*	.	H	α-helix	trans	-64.8	-33.5	172.5	-72.3	-179.5	179.6	-177.1	0	113.3	E121 S122 K127 A128 I129	E121-K125 WeakPolarHBondContact O-CG 3.42Å; E121-K125 PolarHBondContact O-N 3.09Å; S122-K125 PolarHBondContact O-N 3.18Å; K125-K127 PolarHBondContact O-N 3.03Å; K125-A128 CarbonylContact O-C 3.56Å; K125-A128 WeakPolarHBondContact O-CA 3.43Å; K125-A128 PolarHBondContact O-N 2.96Å; K125-I129 WeakPolarHBondContact O-CG1 3.45Å; K125-I129 PolarHBondContact O-N 3.28Å
126	A	47.5	Very low	43.7	Very low	77 Å²	77	103.3 Å²	103.3	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-65.9	-23.1	174.3	0	0	0	0	0	113.5	S122 R123 K124 A128	S122-A126 WeakPolarHBondContact O-CB 3.34Å; S122-A126 PolarHBondContact O-N 2.95Å; R123-A126 PolarHBondContact O-N 2.9Å; K124-A126 VanDerWaalsContact C-N 3.35Å; K124-A126 PolarHBondContact O-N 3.34Å; A126-A128 VanDerWaalsContact C-N 3.27Å
127	K	40.4	Very low	41.9	Very low	123 Å²	123	108 Å²	108	54%	0.535	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-4.9	169.1	-124.6	-178.2	-179	-175.6	0	113	S71 I73 R123 K124 K125	S71-K127 PolarHBondContact O-NZ 2.9Å; I73-K127 PolarHBondContact O-NZ 3.05Å; I73-K127 VanDerWaalsContact O-NZ 3.07Å; R123-K127 PolarHBondContact O-N 3.38Å; K124-K127 PolarHBondContact O-N 3.26Å; K125-K127 PolarHBondContact O-N 3.03Å
128	A	34.2	Very low	39.9	Very low	77 Å²	77	112.6 Å²	112.6	64%	0.636	59%	0.591	S	S	*	*	S	Bend	trans	-125.3	8.9	-169.2	0	0	0	0	0	115.1	K125 A126	K125-A128 CarbonylContact O-C 3.56Å; K125-A128 WeakPolarHBondContact O-CA 3.43Å; K125-A128 PolarHBondContact O-N 2.96Å; A126-A128 VanDerWaalsContact C-N 3.27Å
129	I	25	Very low	37.9	Very low	122 Å²	122	116.6 Å²	116.6	63%	0.626	60%	0.604	S	S	*	*			trans	-123.4	111.6	-179.7	-64.5	170.6	0	0	0	109.9	K125	K125-I129 WeakPolarHBondContact O-CG1 3.45Å; K125-I129 PolarHBondContact O-N 3.28Å
130	P	26.5	Very low	36.1	Very low	101 Å²	101	122.9 Å²	122.9	66%	0.656	63%	0.632	S	S	*	*			trans	-67.1	146.9	167.4	29.1	-33.3	0	0	0	110.5	N132	P130-N132 PolarHBondContact O-N 3.29Å
131	R	22.4	Very low	34.3	Very low	253 Å²	253	126.9 Å²	126.9	96%	0.955	66%	0.658	S	S	*	*			trans	-66.7	120.9	-176.8	-62.7	176.4	-179.7	172.3	-0.3	111
132	N	24.8	Very low	32.5	Very low	139 Å²	139	133.8 Å²	133.8	74%	0.743	68%	0.682	S	S	*	*			trans	-128.5	113.9	165.1	-167.1	-13.2	0	0	0	110	P130 Y134	P130-N132 PolarHBondContact O-N 3.29Å; N132-Y134 PolarHBondContact O-N 3.43Å
133	P	23.8	Very low	30.8	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	69%	0.688	S	S	*	*			trans	-96.7	47.8	-163	39.4	-38.6	0	0	0	114.9
134	Y	22.5	Very low	29.3	Very low	201 Å²	201	140.5 Å²	140.5	79%	0.788	70%	0.702	S	S	*	*			trans	-139.6	92.5	172.1	-82.6	-79.7	0	0	0	112.6	N132	N132-Y134 PolarHBondContact O-N 3.43Å
135	F	26.1	Very low	27.9	Very low	222 Å²	222	143.4 Å²	143.4	97%	0.974	72%	0.722	S	S	*	*			trans	-166.8	122.6	135.6	-107	-67.7	0	0	0	109.8
136	S	21.6	Very low	26.6	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	72%	0.724	S	S	*	*			trans	-110.2	171.7	175.9	60.2	0	0	0	0	111.1
137	S	23.8	Very low	25.4	Very low	101 Å²	101	144.3 Å²	144.3	71%	0.706	73%	0.732	S	S	*	*			trans	55.8	96.9	156.6	54.4	0	0	0	0	118
138	M	24	Very low	24.6	Very low	172 Å²	172	149.3 Å²	149.3	85%	0.847	75%	0.748	S	S	*	*				-161.9	119.9	115.8	-102.2	171.1	-178.7	0	0	110.8
139	D	24.2	Very low	24.2	Very low	139 Å²	139	150.7 Å²	150.7	74%	0.743	75%	0.75	S	S	*	*				39.4	138.9	125.5	-43.6	-21.2	0	0	0	120.2
140	E	24.1	Very low	24.2	Very low	170 Å²	170	150.1 Å²	150.1	79%	0.794	76%	0.757	S	S	*	*			cis	-156.8	170	-10.5	-116.5	-138.6	124.4	0	0	109.6
141	P	25.2	Very low	24	Very low	94 Å²	94	153.6 Å²	153.6	61%	0.61	76%	0.762	S	S	*	*			trans	-110.2	170.4	-164	41.3	-36	0	0	0	116.4
142	R	25	Very low	24	Very low	216 Å²	216	146.7 Å²	146.7	82%	0.815	75%	0.748	S	S	*	*			trans	162.5	157.8	144.6	-89.1	155.1	-164.5	-172.2	8.9	110
143	E	23.8	Very low	23.9	Very low	129 Å²	129	144.4 Å²	144.4	60%	0.603	74%	0.739	S	S	*	*			cis	-171.4	171.1	-24.6	-105.9	-171.7	128.8	0	0	105.4
144	R	24	Very low	23.7	Very low	179 Å²	179	146.5 Å²	146.5	68%	0.675	74%	0.737	S	S	*	*			cis	-163.7	146.3	6.9	-128.6	178.2	-141.9	152.6	22.4	109.9
145	N	25	Very low	23.7	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	73%	0.729	S	S	*	*			trans	59.1	158.6	143.2	-63.4	-7.3	0	0	0	122.1
146	A	23.7	Very low	23.5	Very low	78 Å²	78	138.1 Å²	138.1	65%	0.645	72%	0.715	S	S	*	*			cis	-171.9	166.3	-25.4	0	0	0	0	0	112.4
147	L	23.6	Very low	23.6	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	72%	0.715	S	S	*	*			trans	71.4	138.8	165.3	-57.8	165	0	0	0	116.8
148	R	23	Very low	23.6	Very low	227 Å²	227	139.5 Å²	139.5	86%	0.857	72%	0.717	S	S	*	*			cis	101.8	150.4	26.4	-83.4	-164.7	-178.4	-173.1	1.4	113.1
149	P	27.1	Very low	23.4	Very low	106 Å²	106	139.4 Å²	139.4	69%	0.688	72%	0.715	S	S	*	*			cis	-145.9	-177.9	-49.3	41.7	-22.7	0	0	0	115.9
150	S	23.2	Very low	23.3	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	72%	0.723	S	S	*	*			trans	75.3	162	158.1	82.1	0	0	0	0	118.4
151	K	23.2	Very low	23.2	Very low	174 Å²	174	136.9 Å²	136.9	76%	0.757	72%	0.721	S	S	*	*			cis	-167.9	147.4	8.6	-145.5	179.5	-175.7	-173.3	0	112.6
152	T	21.7	Very low	23.1	Very low	109 Å²	109	138.5 Å²	138.5	67%	0.669	73%	0.731	S	S	*	*			trans	58.1	145.7	148.8	39.8	0	0	0	0	122.8
153	T	22.6	Very low	22.8	Very low	90 Å²	90	136.1 Å²	136.1	55%	0.552	73%	0.733	S	S	*	*			cis	177.5	152.1	-24.2	22	0	0	0	0	114.6
154	F	20.7	Very low	22.6	Very low	159 Å²	159	135.4 Å²	135.4	70%	0.697	74%	0.743	S	S	*	*			trans	94.1	136.3	138	-86.4	-49.8	0	0	0	125
155	L	21.7	Very low	22.5	Very low	121 Å²	121	133.1 Å²	133.1	63%	0.634	75%	0.749	S	S	*	*			trans	63.6	150.6	154.9	-55.4	162	0	0	0	116.5	K38	K38-L155 PolarHBondContact NZ-O 2.98Å
156	N	23.3	Very low	22.3	Very low	126 Å²	126	132 Å²	132	67%	0.674	75%	0.75	S	S	*	*			cis	-154.2	165.9	-10	-103.5	-4.7	0	0	0	107.7
157	V	22.5	Very low	22.2	Very low	112 Å²	112	137.6 Å²	137.6	68%	0.679	76%	0.762	S	S	*	*			cis	81.3	131.8	25.3	-175.9	0	0	0	0	113.7
158	P	23.4	Very low	22.3	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	77%	0.766	S	S	*	*			cis	-110.2	171.2	9.1	31.3	-12.4	0	0	0	114.3
159	E	20	Very low	22.2	Very low	169 Å²	169	134.9 Å²	134.9	79%	0.79	76%	0.764	S	S	*	*			cis	90.4	114.5	30.9	-78.5	-173	-163.4	0	0	118
160	T	22.7	Very low	22.2	Very low	149 Å²	149	132.7 Å²	132.7	91%	0.914	76%	0.761	S	S	*	*			trans	161.1	146.1	149.9	29.7	0	0	0	0	108.7
161	S	21.4	Very low	22.3	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	77%	0.767	S	S	*	*			cis	-149.2	157.7	-14.8	54.1	0	0	0	0	109.3
162	P	22.9	Very low	22.7	Very low	128 Å²	128	137.9 Å²	137.9	83%	0.831	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-95.8	155.7	-164.8	36.1	-35.5	0	0	0	115.6
163	I	20	Very low	23.3	Very low	165 Å²	165	138 Å²	138	85%	0.846	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-99.8	139	168.7	-64.4	173.9	0	0	0	109.1
164	S	19.8	Very low	24.9	Very low	115 Å²	115	137.5 Å²	137.5	80%	0.804	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-89.3	143.6	-179.9	47.8	0	0	0	0	113.4
165	T	20.9	Very low	26.9	Very low	131 Å²	131	136.9 Å²	136.9	80%	0.804	77%	0.767	S	S	*	*			trans	-126.6	150.5	171.9	47	0	0	0	0	110.9
166	P	21.1	Very low	28.8	Very low	124 Å²	124	134.2 Å²	134.2	81%	0.805	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-87.7	169.6	-155.5	34.1	-37.8	0	0	0	116.3
167	H	22.1	Very low	30.3	Very low	194 Å²	194	132.1 Å²	132.1	90%	0.898	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-59.1	142.5	-174.3	-62.4	-96.5	0	0	0	115.1
168	K	24.2	Very low	31.8	Very low	210 Å²	210	131.1 Å²	131.1	91%	0.913	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-89.2	135.3	155.9	-71.7	177.5	177.9	172.4	0	109.6	G170	K168-G170 PolarHBondContact O-N 3.16Å
169	S	22.8	Very low	33.9	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	73%	0.734	S	S	*	*			trans	-85.4	102.3	176.2	54.7	0	0	0	0	111.6
170	G	26.1	Very low	36	Very low	60 Å²	60	131 Å²	131	62%	0.619	73%	0.726	S	S	*	*			trans	-87.7	144.4	163.4	0	0	0	0	0	110.8	K168 N172	K168-G170 PolarHBondContact O-N 3.16Å; G170-N172 PolarHBondContact O-N 3.48Å
171	W	25.9	Very low	37.5	Very low	239 Å²	239	128.6 Å²	128.6	91%	0.905	71%	0.707	S	S	*	*			trans	-85	105.8	171.5	-72.7	62.6	0	0	0	108.4	L173	W171-L173 PolarHBondContact O-N 2.82Å
172	N	31.8	Very low	39.4	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	70%	0.699	S	S	*	*			trans	-81.8	103.7	171.9	-70.3	3.5	0	0	0	108.7	G170	G170-N172 PolarHBondContact O-N 3.48Å
173	L	33.7	Very low	41.6	Very low	113 Å²	113	127.5 Å²	127.5	59%	0.592	68%	0.682	S	S	*	*			trans	-65.3	144.9	155.1	-74.3	160.2	0	0	0	108.5	W171 E177	W171-L173 PolarHBondContact O-N 2.82Å; L173-E177 HydrophobicContact CD2-CB 3.89Å; L173-E177 HydrophobicContact CD2-CG 4.45Å
174	T	56.3	Low	43.5	Very low	79 Å²	79	123.1 Å²	123.1	49%	0.485	67%	0.666	S	S	.	*			trans	-84.5	156.6	173	62.4	0	0	0	0	110.9	A176 E177 E178	T174-A176 PolarHBondContact O-N 3.29Å; T174-A176 VanDerWaalsContact O-N 3.1Å; T174-E177 WeakPolarHBondContact CB-OE2 3.45Å; T174-E177 PolarHBondContact N-OE2 3.42Å; T174-E177 PolarHBondContact O-N 3.29Å; T174-E177 WeakPolarHBondContact OG1-CG 3.31Å; T174-E177 PolarHBondContact OG1-OE2 2.99Å; T174-E178 PolarHBondContact O-N 3.02Å; T174-E178 VanDerWaalsContact O-N 3.14Å
175	D	62.7	Low	45.5	Very low	145 Å²	145	123.9 Å²	123.9	78%	0.775	66%	0.655	S	S	*	*	H	α-helix	trans	-55.1	-32.8	-180	-54.5	-42.4	0	0	0	112.2	E178 E179	D175-E178 PolarHBondContact O-N 2.95Å; D175-E179 WeakPolarHBondContact O-CB 3.35Å; D175-E179 PolarHBondContact O-N 3.01Å
176	A	62.4	Low	47.9	Very low	66 Å²	66	122.8 Å²	122.8	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-68	-38.9	176.8	0	0	0	0	0	113.1	T174 E179 E180	T174-A176 PolarHBondContact O-N 3.29Å; T174-A176 VanDerWaalsContact O-N 3.1Å; A176-E179 PolarHBondContact O-N 3.28Å; A176-E180 WeakPolarHBondContact O-CB 3.06Å; A176-E180 PolarHBondContact O-N 2.79Å
177	E	54.6	Low	50.3	Low	82 Å²	82	121 Å²	121	38%	0.383	63%	0.63	S	S	.	*	H	α-helix	trans	-69.4	-35.5	175.3	-68.4	161.3	116.1	0	0	110.9	L173 T174 I181	L173-E177 HydrophobicContact CD2-CB 3.89Å; L173-E177 HydrophobicContact CD2-CG 4.45Å; T174-E177 WeakPolarHBondContact CB-OE2 3.45Å; T174-E177 PolarHBondContact N-OE2 3.42Å; T174-E177 PolarHBondContact O-N 3.29Å; T174-E177 WeakPolarHBondContact OG1-CG 3.31Å; T174-E177 PolarHBondContact OG1-OE2 2.99Å; E177-I181 WeakPolarHBondContact O-CB 3.45Å; E177-I181 WeakPolarHBondContact O-CD1 3.31Å; E177-I181 WeakPolarHBondContact O-CG1 3.08Å; E177-I181 PolarHBondContact O-N 2.72Å
178	E	53.2	Low	52.2	Low	91 Å²	91	114.3 Å²	114.3	43%	0.425	60%	0.604	S	S	.	*	H	α-helix	trans	-67.7	-36.8	173.3	-148	-153	150.4	0	0	112	T174 D175 R182	T174-E178 PolarHBondContact O-N 3.02Å; T174-E178 VanDerWaalsContact O-N 3.14Å; D175-E178 PolarHBondContact O-N 2.95Å; E178-R182 VanDerWaalsContact CD-NH2 3.32Å; E178-R182 VanDerWaalsContact O-CG 3.32Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 3.06Å; E178-R182 IonicContact OE1-CZ 3.76Å; E178-R182 VanDerWaalsContact OE1-CZ 3.29Å; E178-R182 IonicContact OE1-NE 3.65Å; E178-R182 PolarHBondContact OE1-NE 2.9Å; E178-R182 IonicContact OE1-NH2 3.17Å; E178-R182 PolarHBondContact OE1-NH2 2.88Å; E178-R182 IonicContact OE2-NH2 3.47Å; E178-R182 PolarHBondContact OE2-NH2 2.7Å
179	E	67.4	Low	54.1	Low	147 Å²	147	106.8 Å²	106.8	69%	0.687	57%	0.572	S	S	*	*	H	α-helix	trans	-69.7	-39	176.5	-166.6	160.2	-123.3	0	0	112.1	D175 A176 R182 A183	D175-E179 WeakPolarHBondContact O-CB 3.35Å; D175-E179 PolarHBondContact O-N 3.01Å; A176-E179 PolarHBondContact O-N 3.28Å; E179-R182 PolarHBondContact O-N 3.33Å; E179-A183 PolarHBondContact O-N 3.27Å
180	E	64.7	Low	56.5	Low	135 Å²	135	107.9 Å²	107.9	63%	0.631	56%	0.564	S	S	*	*	H	α-helix	trans	-65.7	-40.7	173.5	-174.8	167.5	-138.3	0	0	112.4	A176 R182 A183 S184	A176-E180 WeakPolarHBondContact O-CB 3.06Å; A176-E180 PolarHBondContact O-N 2.79Å; E180-R182 VanDerWaalsContact C-N 3.35Å; E180-R182 PolarHBondContact O-N 3.16Å; E180-A183 PolarHBondContact O-N 2.82Å; E180-S184 WeakPolarHBondContact O-CB 3.24Å; E180-S184 PolarHBondContact O-N 3.19Å; E180-S184 PolarHBondContact O-OG 2.72Å
181	I	52.7	Low	58.6	Low	99 Å²	99	109.2 Å²	109.2	51%	0.508	55%	0.554	S	S	.	*	H	α-helix	trans	-61.8	-42	172.7	-71.5	165.2	0	0	0	110.9	E177 S184 F185	E177-I181 WeakPolarHBondContact O-CB 3.45Å; E177-I181 WeakPolarHBondContact O-CD1 3.31Å; E177-I181 WeakPolarHBondContact O-CG1 3.08Å; E177-I181 PolarHBondContact O-N 2.72Å; I181-S184 PolarHBondContact O-N 3.34Å; I181-F185 WeakPolarHBondContact O-CB 3.42Å; I181-F185 PolarHBondContact O-N 3.35Å
182	R	61.7	Low	60.4	Low	157 Å²	157	98.8 Å²	98.8	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-66	-41.1	176.3	-74.2	176	-172.3	179.5	6.6	112.5	E178 E179 E180 F185 L186	E178-R182 VanDerWaalsContact CD-NH2 3.32Å; E178-R182 VanDerWaalsContact O-CG 3.32Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 3.06Å; E178-R182 IonicContact OE1-CZ 3.76Å; E178-R182 VanDerWaalsContact OE1-CZ 3.29Å; E178-R182 IonicContact OE1-NE 3.65Å; E178-R182 PolarHBondContact OE1-NE 2.9Å; E178-R182 IonicContact OE1-NH2 3.17Å; E178-R182 PolarHBondContact OE1-NH2 2.88Å; E178-R182 IonicContact OE2-NH2 3.47Å; E178-R182 PolarHBondContact OE2-NH2 2.7Å; E179-R182 PolarHBondContact O-N 3.33Å; E180-R182 VanDerWaalsContact C-N 3.35Å; E180-R182 PolarHBondContact O-N 3.16Å; R182-F185 PolarHBondContact O-N 2.89Å; R182-L186 PolarHBondContact O-N 2.05Å
183	A	69.3	Low	62.2	Low	57 Å²	57	93.1 Å²	93.1	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-46.6	175.1	0	0	0	0	0	111.3	E179 E180 F185 L186 V187	E179-A183 PolarHBondContact O-N 3.27Å; E180-A183 PolarHBondContact O-N 2.82Å; A183-F185 PolarHBondContact O-N 2.94Å; A183-L186 PolarHBondContact O-N 3.41Å; A183-V187 PolarHBondContact O-N 3.37Å; A183-V187 VanDerWaalsContact O-N 3.1Å
184	S	60.5	Low	64	Low	72 Å²	72	93.8 Å²	93.8	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-42.6	177.7	-57.3	0	0	0	0	112.1	E180 I181 L186 C188	E180-S184 WeakPolarHBondContact O-CB 3.24Å; E180-S184 PolarHBondContact O-N 3.19Å; E180-S184 PolarHBondContact O-OG 2.72Å; I181-S184 PolarHBondContact O-N 3.34Å; S184-L186 PolarHBondContact O-N 3.01Å; S184-C188 WeakPolarHBondContact O-CB 3.46Å; S184-C188 PolarHBondContact O-N 3.26Å
185	F	62.3	Low	64.6	Low	131 Å²	131	91 Å²	91	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-64.2	-37.7	175.7	-174.1	-94.6	0	0	0	112.6	I181 R182 A183 C188 K189	I181-F185 WeakPolarHBondContact O-CB 3.42Å; I181-F185 PolarHBondContact O-N 3.35Å; R182-F185 PolarHBondContact O-N 2.89Å; A183-F185 PolarHBondContact O-N 2.94Å; F185-C188 PolarHBondContact O-N 3.35Å; F185-K189 PolarHBondContact O-N 3.3Å
186	L	69.6	Low	64.7	Low	109 Å²	109	84 Å²	84	57%	0.571	43%	0.43	S	S	*	.	H	α-helix	trans	-66.7	-46.2	179	-159	76.2	0	0	0	111.7	R182 A183 S184 C188 K189 E190	R182-L186 PolarHBondContact O-N 2.05Å; A183-L186 PolarHBondContact O-N 3.41Å; S184-L186 PolarHBondContact O-N 3.01Å; L186-C188 VanDerWaalsContact C-N 3.35Å; L186-C188 PolarHBondContact O-N 3.4Å; L186-K189 WeakPolarHBondContact O-CB 3.31Å; L186-K189 PolarHBondContact O-N 3.09Å; L186-E190 PolarHBondContact O-N 2.74Å; L186-E190 VanDerWaalsContact O-N 3.12Å
187	V	72.3	Confident	65	Low	86 Å²	86	83 Å²	83	52%	0.521	42%	0.417	S	S	.	.	H	α-helix	trans	-59.7	-46	174.5	174.8	0	0	0	0	110.7	A183 K189 E190 E191	A183-V187 PolarHBondContact O-N 3.37Å; A183-V187 VanDerWaalsContact O-N 3.1Å; V187-K189 VanDerWaalsContact C-N 3.3Å; V187-K189 PolarHBondContact O-N 2.92Å; V187-E190 PolarHBondContact O-N 3.05Å; V187-E191 PolarHBondContact O-N 3.09Å
188	C	61.4	Low	65.8	Low	53 Å²	53	84.7 Å²	84.7	36%	0.358	43%	0.428	S	S	.	.	H	α-helix	trans	-59.4	-39.9	177.6	-168	0	0	0	0	112.2	S184 F185 L186 M192	S184-C188 WeakPolarHBondContact O-CB 3.46Å; S184-C188 PolarHBondContact O-N 3.26Å; F185-C188 PolarHBondContact O-N 3.35Å; L186-C188 VanDerWaalsContact C-N 3.35Å; L186-C188 PolarHBondContact O-N 3.4Å; C188-M192 WeakPolarHBondContact O-CB 3.45Å; C188-M192 VanDerWaalsContact O-CG 3.31Å; C188-M192 WeakPolarHBondContact O-CG 3.42Å; C188-M192 PolarHBondContact O-N 3.08Å
189	K	64.3	Low	66.4	Low	52 Å²	52	86.7 Å²	86.7	23%	0.226	44%	0.436	C	S	.	.	H	α-helix	trans	-61.8	-44.7	175.2	-173.5	-172.7	170.4	-164.1	0	111.9	F185 L186 V187 M192 K193 D208 F211	F185-K189 PolarHBondContact O-N 3.3Å; L186-K189 WeakPolarHBondContact O-CB 3.31Å; L186-K189 PolarHBondContact O-N 3.09Å; V187-K189 VanDerWaalsContact C-N 3.3Å; V187-K189 PolarHBondContact O-N 2.92Å; K189-M192 PolarHBondContact O-N 3.34Å; K189-K193 WeakPolarHBondContact O-CB 3.35Å; K189-K193 PolarHBondContact O-N 2.68Å; K189-D208 WeakPolarHBondContact CE-OD1 3.39Å; K189-D208 IonicContact NZ-OD1 3.96Å; K189-D208 PolarHBondContact NZ-OD1 2.93Å; K189-F211 HydrophobicContact CD-CD2 4.25Å; K189-F211 HydrophobicContact CD-CE2 4.4Å; K189-F211 HydrophobicContact CG-CD2 4.17Å; K189-F211 HydrophobicContact CG-CE2 3.82Å; K189-F211 HydrophobicContact CG-CZ 4.08Å
190	E	72.7	Confident	66.3	Low	140 Å²	140	81 Å²	81	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-66.2	-44.1	179.8	-68.5	-168.6	157	0	0	111.9	L186 V187 M192 K193 E194	L186-E190 PolarHBondContact O-N 2.74Å; L186-E190 VanDerWaalsContact O-N 3.12Å; V187-E190 PolarHBondContact O-N 3.05Å; E190-M192 PolarHBondContact O-N 3.4Å; E190-K193 WeakPolarHBondContact O-CB 3.47Å; E190-K193 PolarHBondContact O-N 2.91Å; E190-E194 PolarHBondContact O-N 3Å
191	E	70.2	Confident	66.2	Low	88 Å²	88	77.8 Å²	77.8	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-38.3	175.7	-67.3	-163	125.6	0	0	113.2	V187 K193 E194 C195 K233	V187-E191 PolarHBondContact O-N 3.09Å; E191-K193 VanDerWaalsContact C-N 3.34Å; E191-E194 PolarHBondContact O-N 2.81Å; E191-C195 PolarHBondContact O-N 3.23Å; E191-K233 IonicContact OE1-NZ 2.72Å; E191-K233 PolarHBondContact OE1-NZ 3.28Å; E191-K233 IonicContact OE2-NZ 3.7Å; E191-K233 PolarHBondContact OE2-NZ 2.98Å
192	M	65	Low	66.6	Low	19 Å²	19	73.4 Å²	73.4	9%	0.094	39%	0.394	C	S	.	.	H	α-helix	trans	-65.4	-39.2	174.4	-78.1	-174.2	176	0	0	111.8	C188 K189 E190 C195 C196 F211 F230	C188-M192 WeakPolarHBondContact O-CB 3.45Å; C188-M192 VanDerWaalsContact O-CG 3.31Å; C188-M192 WeakPolarHBondContact O-CG 3.42Å; C188-M192 PolarHBondContact O-N 3.08Å; K189-M192 PolarHBondContact O-N 3.34Å; E190-M192 PolarHBondContact O-N 3.4Å; M192-C195 PolarHBondContact O-N 3.06Å; M192-C196 PolarHBondContact O-N 3.33Å; M192-C196 VanDerWaalsContact O-N 3.07Å; M192-C196 PolarHBondContact O-SG 2.66Å; M192-F211 HydrophobicContact SD-CZ 4.39Å; M192-F230 HydrophobicContact CE-CD1 3.66Å; M192-F230 HydrophobicContact CE-CE1 3.68Å; M192-F230 HydrophobicContact CE-CG 4.44Å; M192-F230 HydrophobicContact CE-CZ 4.46Å; M192-F230 HydrophobicContact SD-CD1 4.03Å; M192-F230 HydrophobicContact SD-CE1 3.53Å; M192-F230 VanDerWaalsContact SD-CE1 3.53Å; M192-F230 HydrophobicContact SD-CE2 4.4Å; M192-F230 HydrophobicContact SD-CZ 3.75Å
193	K	69.4	Low	66.7	Low	35 Å²	35	72.5 Å²	72.5	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-46.3	175.7	-176.4	168.3	174.9	-175.4	0	110.7	K189 E190 E191 C195 C196 V197 D204 M207 D208	K189-K193 WeakPolarHBondContact O-CB 3.35Å; K189-K193 PolarHBondContact O-N 2.68Å; E190-K193 WeakPolarHBondContact O-CB 3.47Å; E190-K193 PolarHBondContact O-N 2.91Å; E191-K193 VanDerWaalsContact C-N 3.34Å; K193-C195 PolarHBondContact O-N 3.45Å; K193-C196 PolarHBondContact O-N 2.92Å; K193-V197 VanDerWaalsContact O-CG2 3.31Å; K193-V197 WeakPolarHBondContact O-CG2 3.42Å; K193-V197 PolarHBondContact O-N 3.4Å; K193-D204 WeakPolarHBondContact CE-OD1 3.41Å; K193-D204 VanDerWaalsContact CE-OD2 3.22Å; K193-D204 WeakPolarHBondContact CE-OD2 3.25Å; K193-D204 VanDerWaalsContact NZ-CG 3.33Å; K193-D204 IonicContact NZ-OD1 2.67Å; K193-D204 PolarHBondContact NZ-OD1 3.15Å; K193-D204 IonicContact NZ-OD2 3.27Å; K193-D204 PolarHBondContact NZ-OD2 3.02Å; K193-M207 HydrophobicContact CB-CB 4.47Å; K193-M207 HydrophobicContact CD-CB 4.3Å; K193-M207 HydrophobicContact CG-CB 3.86Å; K193-M207 HydrophobicContact CG-CG 4.4Å; K193-D208 IonicContact NZ-OD1 3.36Å; K193-D208 IonicContact NZ-OD2 3.68Å; K193-D208 PolarHBondContact NZ-OD2 2.91Å
194	E	72.1	Confident	66.3	Low	126 Å²	126	74 Å²	74	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-59.7	-45.5	174.2	-171.9	179.1	-166.8	0	0	112.3	E190 E191 C196 N198	E190-E194 PolarHBondContact O-N 3Å; E191-E194 PolarHBondContact O-N 2.81Å; E194-C196 PolarHBondContact O-N 3.11Å; E194-N198 VanDerWaalsContact CG-ND2 3.26Å; E194-N198 WeakPolarHBondContact CG-ND2 3.43Å; E194-N198 VanDerWaalsContact O-CB 3.31Å; E194-N198 WeakPolarHBondContact O-CB 3.2Å; E194-N198 PolarHBondContact O-N 2.87Å
195	C	67.6	Low	66.4	Low	20 Å²	20	79.8 Å²	79.8	14%	0.135	41%	0.407	C	S	.	.	H	α-helix	trans	-56.8	-47.9	178.2	-165.8	0	0	0	0	111.8	E191 M192 K193 K199 C229	E191-C195 PolarHBondContact O-N 3.23Å; M192-C195 PolarHBondContact O-N 3.06Å; K193-C195 PolarHBondContact O-N 3.45Å; C195-K199 VanDerWaalsContact O-CB 3.31Å; C195-K199 WeakPolarHBondContact O-CB 3.3Å; C195-K199 PolarHBondContact O-N 3.42Å; C195-C229 HydrophobicContact CB-CB 4.06Å; C195-C229 WeakPolarHBondContact CB-SG 3.44Å; C195-C229 PolarHBondContact O-SG 3.14Å; C195-C229 WeakPolarHBondContact SG-CB 3.33Å; C195-C229 CovalentContact SG-SG 2.06Å; C195-C229 PolarHBondContact SG-SG 2.85Å
196	C	64.8	Low	66.4	Low	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-75.6	-35.5	-173.5	-61.6	0	0	0	0	113.1	M192 K193 E194 C200 G201 A202 M207	M192-C196 PolarHBondContact O-N 3.33Å; M192-C196 VanDerWaalsContact O-N 3.07Å; M192-C196 PolarHBondContact O-SG 2.66Å; K193-C196 PolarHBondContact O-N 2.92Å; E194-C196 PolarHBondContact O-N 3.11Å; C196-C200 CarbonylContact O-C 3.51Å; C196-C200 WeakPolarHBondContact O-CA 3.42Å; C196-C200 VanDerWaalsContact O-CB 3.31Å; C196-C200 WeakPolarHBondContact O-CB 3.28Å; C196-C200 PolarHBondContact O-N 3.09Å; C196-C200 VanDerWaalsContact O-N 3.09Å; C196-G201 PolarHBondContact O-N 3.47Å; C196-A202 PolarHBondContact O-N 2.99Å; C196-M207 HydrophobicContact CB-CE 3.59Å; C196-M207 HydrophobicContact CB-CG 4.06Å; C196-M207 HydrophobicContact CB-SD 3.37Å; C196-M207 WeakPolarHBondContact CB-SD 3.43Å; C196-M207 VanDerWaalsContact SG-CE 3.59Å
197	V	69.3	Low	66	Low	43 Å²	43	69.1 Å²	69.1	26%	0.261	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-51.1	172.8	174.3	0	0	0	0	110	K193 G201 M207	K193-V197 VanDerWaalsContact O-CG2 3.31Å; K193-V197 WeakPolarHBondContact O-CG2 3.42Å; K193-V197 PolarHBondContact O-N 3.4Å; V197-G201 PolarHBondContact O-N 2.78Å; V197-M207 HydrophobicContact CG2-CG 4.34Å
198	N	70.6	Confident	65.6	Low	118 Å²	118	68.2 Å²	68.2	63%	0.631	35%	0.349	S	S	*	.	H	α-helix	trans	-74.7	-36.9	-173.7	-74.2	-27.8	0	0	0	114.5	E194	E194-N198 VanDerWaalsContact CG-ND2 3.26Å; E194-N198 WeakPolarHBondContact CG-ND2 3.43Å; E194-N198 VanDerWaalsContact O-CB 3.31Å; E194-N198 WeakPolarHBondContact O-CB 3.2Å; E194-N198 PolarHBondContact O-N 2.87Å
199	K	66.2	Low	65.7	Low	133 Å²	133	69.8 Å²	69.8	58%	0.578	35%	0.35	S	S	*	.	H	α-helix	trans	-91.3	-39.4	179.8	-67.4	-171.6	-176.5	172.8	0	113.8	C195 D232	C195-K199 VanDerWaalsContact O-CB 3.31Å; C195-K199 WeakPolarHBondContact O-CB 3.3Å; C195-K199 PolarHBondContact O-N 3.42Å; K199-D232 IonicContact NZ-OD2 3.31Å
200	C	64.8	Low	65.5	Low	29 Å²	29	70.1 Å²	70.1	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-105.4	-2.8	-169.2	-52	0	0	0	0	113.9	C196 A202 C225 I226	C196-C200 CarbonylContact O-C 3.51Å; C196-C200 WeakPolarHBondContact O-CA 3.42Å; C196-C200 VanDerWaalsContact O-CB 3.31Å; C196-C200 WeakPolarHBondContact O-CB 3.28Å; C196-C200 PolarHBondContact O-N 3.09Å; C196-C200 VanDerWaalsContact O-N 3.09Å; C200-A202 PolarHBondContact O-N 3.05Å; C200-C225 WeakPolarHBondContact CA-SG 3.28Å; C200-C225 HydrophobicContact CB-CB 3.91Å; C200-C225 WeakPolarHBondContact CB-SG 3.25Å; C200-C225 WeakPolarHBondContact SG-CB 3.39Å; C200-C225 PolarHBondContact SG-O 3.12Å; C200-C225 VanDerWaalsContact SG-O 3.41Å; C200-C225 CovalentContact SG-SG 2.05Å; C200-C225 PolarHBondContact SG-SG 2.67Å; C200-I226 HydrophobicContact CB-CG1 4.45Å
201	G	63	Low	64.8	Low	67 Å²	67	67 Å²	67	69%	0.691	34%	0.338	S	S	*	.			trans	66.8	21.3	178.1	0	0	0	0	0	114	C196 V197	C196-G201 PolarHBondContact O-N 3.47Å; V197-G201 PolarHBondContact O-N 2.78Å
202	A	62.2	Low	64.2	Low	7 Å²	7	68 Å²	68	6%	0.058	34%	0.342	C	S	.	.			trans	-65.5	135.4	177	0	0	0	0	0	110.3	C196 C200 D204 M207	C196-A202 PolarHBondContact O-N 2.99Å; C200-A202 PolarHBondContact O-N 3.05Å; A202-D204 PolarHBondContact O-N 2.79Å; A202-M207 HydrophobicContact CB-CG 4.22Å; A202-M207 HydrophobicContact CB-SD 4.22Å
203	E	64.1	Low	63	Low	138 Å²	138	73.5 Å²	73.5	65%	0.645	38%	0.379	S	S	*	.			trans	-62.5	136.7	169.5	-77.1	-163.5	-177.7	0	0	110.1	R205 V206	E203-R205 PolarHBondContact O-N 3.1Å; E203-V206 HydrophobicContact CB-CG2 4.24Å; E203-V206 WeakPolarHBondContact O-CB 3.47Å; E203-V206 PolarHBondContact O-N 3.07Å
204	D	60.1	Low	61.8	Low	87 Å²	87	76.6 Å²	76.6	47%	0.465	40%	0.401	S	S	.	.	H	α-helix	trans	-51.6	-34.8	-176.5	-162.8	72.7	0	0	0	113.3	K193 A202 V206	K193-D204 WeakPolarHBondContact CE-OD1 3.41Å; K193-D204 VanDerWaalsContact CE-OD2 3.22Å; K193-D204 WeakPolarHBondContact CE-OD2 3.25Å; K193-D204 VanDerWaalsContact NZ-CG 3.33Å; K193-D204 IonicContact NZ-OD1 2.67Å; K193-D204 PolarHBondContact NZ-OD1 3.15Å; K193-D204 IonicContact NZ-OD2 3.27Å; K193-D204 PolarHBondContact NZ-OD2 3.02Å; A202-D204 PolarHBondContact O-N 2.79Å; D204-V206 VanDerWaalsContact C-N 3.33Å; D204-V206 PolarHBondContact O-N 2.63Å
205	R	63.4	Low	60.8	Low	194 Å²	194	72.9 Å²	72.9	73%	0.732	38%	0.382	S	S	*	.	H	α-helix	trans	-68.1	-24	177	-70.9	177.4	168.9	175.3	-3	114.8	E203	E203-R205 PolarHBondContact O-N 3.1Å
206	V	62.4	Low	59.9	Low	16 Å²	16	79.8 Å²	79.8	10%	0.097	41%	0.412	C	S	.	.	H	α-helix	trans	-81.5	-38.5	179.5	-178.2	0	0	0	0	110.3	E203 D204 D208 K209 M210 Y215 I221	E203-V206 HydrophobicContact CB-CG2 4.24Å; E203-V206 WeakPolarHBondContact O-CB 3.47Å; E203-V206 PolarHBondContact O-N 3.07Å; D204-V206 VanDerWaalsContact C-N 3.33Å; D204-V206 PolarHBondContact O-N 2.63Å; V206-D208 VanDerWaalsContact C-N 3.3Å; V206-D208 PolarHBondContact O-N 2.78Å; V206-K209 PolarHBondContact O-N 2.64Å; V206-K209 VanDerWaalsContact O-N 3.13Å; V206-M210 PolarHBondContact O-N 3.27Å; V206-Y215 HydrophobicContact CG1-CE1 3.64Å; V206-I221 HydrophobicContact CB-CD1 4.28Å; V206-I221 HydrophobicContact CG1-CD1 3.54Å; V206-I221 HydrophobicContact CG2-CD1 4.45Å
207	M	60.7	Low	59.3	Low	1 Å²	1	83.2 Å²	83.2	1%	0.005	43%	0.43	C	S	.	.	H	α-helix	trans	-61.5	-36.1	178.1	-70.4	-52.2	-57.1	0	0	112.8	K193 C196 V197 A202 M210 F211	K193-M207 HydrophobicContact CB-CB 4.47Å; K193-M207 HydrophobicContact CD-CB 4.3Å; K193-M207 HydrophobicContact CG-CB 3.86Å; K193-M207 HydrophobicContact CG-CG 4.4Å; C196-M207 HydrophobicContact CB-CE 3.59Å; C196-M207 HydrophobicContact CB-CG 4.06Å; C196-M207 HydrophobicContact CB-SD 3.37Å; C196-M207 WeakPolarHBondContact CB-SD 3.43Å; C196-M207 VanDerWaalsContact SG-CE 3.59Å; V197-M207 HydrophobicContact CG2-CG 4.34Å; A202-M207 HydrophobicContact CB-CG 4.22Å; A202-M207 HydrophobicContact CB-SD 4.22Å; M207-M210 HydrophobicContact CE-SD 4.48Å; M207-M210 PolarHBondContact O-N 2.8Å; M207-M210 HydrophobicContact SD-SD 4.31Å; M207-F211 VanDerWaalsContact O-CD2 3.24Å; M207-F211 WeakPolarHBondContact O-CD2 3.43Å
208	D	63.7	Low	58.5	Low	67 Å²	67	86.5 Å²	86.5	36%	0.358	44%	0.443	S	S	.	.	H	α-helix	trans	-67.4	-38.4	174.2	-81.6	-48.4	0	0	0	113.2	K189 K193 V206 M210	K189-D208 WeakPolarHBondContact CE-OD1 3.39Å; K189-D208 IonicContact NZ-OD1 3.96Å; K189-D208 PolarHBondContact NZ-OD1 2.93Å; K193-D208 IonicContact NZ-OD1 3.36Å; K193-D208 IonicContact NZ-OD2 3.68Å; K193-D208 PolarHBondContact NZ-OD2 2.91Å; V206-D208 VanDerWaalsContact C-N 3.3Å; V206-D208 PolarHBondContact O-N 2.78Å; D208-M210 VanDerWaalsContact C-N 3.34Å
209	K	63.8	Low	57.6	Low	86 Å²	86	88.8 Å²	88.8	37%	0.374	46%	0.455	S	S	.	.	H	α-helix	trans	-71.2	-27.1	175.1	-67.1	-179	-175.6	177.1	0	113.2	V206 F211 E212 Y215	V206-K209 PolarHBondContact O-N 2.64Å; V206-K209 VanDerWaalsContact O-N 3.13Å; K209-F211 PolarHBondContact O-N 3.43Å; K209-F211 VanDerWaalsContact O-N 3.1Å; K209-E212 WeakPolarHBondContact O-CB 3.13Å; K209-E212 PolarHBondContact O-N 3.5Å; K209-Y215 HydrophobicContact CB-CD1 4.01Å; K209-Y215 HydrophobicContact CB-CD2 3.77Å; K209-Y215 HydrophobicContact CB-CE1 4.35Å; K209-Y215 HydrophobicContact CB-CE2 4.15Å; K209-Y215 HydrophobicContact CB-CG 3.71Å; K209-Y215 HydrophobicContact CD-CD2 3.72Å; K209-Y215 HydrophobicContact CD-CE2 3.56Å; K209-Y215 HydrophobicContact CD-CG 4.49Å; K209-Y215 HydrophobicContact CG-CD2 4.37Å; K209-Y215 WeakPolarHBondContact O-CB 3.46Å
210	M	60.2	Low	57	Low	58 Å²	58	90.3 Å²	90.3	29%	0.286	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.5	-175.4	-162.6	166.5	-172.3	0	0	113.4	V206 M207 D208 L217 I226	V206-M210 PolarHBondContact O-N 3.27Å; M207-M210 HydrophobicContact CE-SD 4.48Å; M207-M210 PolarHBondContact O-N 2.8Å; M207-M210 HydrophobicContact SD-SD 4.31Å; D208-M210 VanDerWaalsContact C-N 3.34Å; M210-L217 HydrophobicContact CE-CD1 4.13Å; M210-L217 HydrophobicContact CE-CD2 3.96Å; M210-L217 HydrophobicContact CE-CG 4.35Å; M210-L217 HydrophobicContact SD-CD2 4.47Å; M210-I226 HydrophobicContact CE-CD1 4.14Å; M210-I226 HydrophobicContact CE-CG2 4.03Å; M210-I226 HydrophobicContact SD-CD1 3.99Å; M210-I226 HydrophobicContact SD-CG2 4.4Å
211	F	56.9	Low	56.6	Low	76 Å²	76	90.7 Å²	90.7	33%	0.333	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.2	171.8	-62	-84.4	0	0	0	113.8	K189 M192 M207 K209	K189-F211 HydrophobicContact CD-CD2 4.25Å; K189-F211 HydrophobicContact CD-CE2 4.4Å; K189-F211 HydrophobicContact CG-CD2 4.17Å; K189-F211 HydrophobicContact CG-CE2 3.82Å; K189-F211 HydrophobicContact CG-CZ 4.08Å; M192-F211 HydrophobicContact SD-CZ 4.39Å; M207-F211 VanDerWaalsContact O-CD2 3.24Å; M207-F211 WeakPolarHBondContact O-CD2 3.43Å; K209-F211 PolarHBondContact O-N 3.43Å; K209-F211 VanDerWaalsContact O-N 3.1Å
212	E	57.2	Low	56.6	Low	107 Å²	107	92 Å²	92	50%	0.5	46%	0.46	S	S	.	.	S	Bend	trans	-83.2	131.4	171.6	-61.6	-174.6	148	0	0	110.3	K209 T214 Y215	K209-E212 WeakPolarHBondContact O-CB 3.13Å; K209-E212 PolarHBondContact O-N 3.5Å; E212-T214 PolarHBondContact O-N 2.67Å; E212-Y215 PolarHBondContact O-N 2.74Å
213	P	40.4	Very low	56.6	Low	136 Å²	136	95.7 Å²	95.7	88%	0.883	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	8.9	-174.6	30.3	-37.4	0	0	0	114.8
214	T	45.1	Very low	56.7	Low	100 Å²	100	93.7 Å²	93.7	61%	0.613	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	3.6	-178.5	49.1	0	0	0	0	113.5	E212	E212-T214 PolarHBondContact O-N 2.67Å
215	Y	50	Low	57.2	Low	48 Å²	48	91 Å²	91	19%	0.188	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-82.3	126.9	179.1	-173.5	-113.6	0	0	0	112	V206 K209 E212 E218	V206-Y215 HydrophobicContact CG1-CE1 3.64Å; K209-Y215 HydrophobicContact CB-CD1 4.01Å; K209-Y215 HydrophobicContact CB-CD2 3.77Å; K209-Y215 HydrophobicContact CB-CE1 4.35Å; K209-Y215 HydrophobicContact CB-CE2 4.15Å; K209-Y215 HydrophobicContact CB-CG 3.71Å; K209-Y215 HydrophobicContact CD-CD2 3.72Å; K209-Y215 HydrophobicContact CD-CE2 3.56Å; K209-Y215 HydrophobicContact CD-CG 4.49Å; K209-Y215 HydrophobicContact CG-CD2 4.37Å; K209-Y215 WeakPolarHBondContact O-CB 3.46Å; E212-Y215 PolarHBondContact O-N 2.74Å; Y215-E218 VanDerWaalsContact OH-CD 3.32Å; Y215-E218 WeakPolarHBondContact OH-CG 3.43Å; Y215-E218 PolarHBondContact OH-OE1 2.95Å
216	H	50	Low	57.3	Low	165 Å²	165	82.1 Å²	82.1	76%	0.764	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-98.1	127.7	169	-70.6	-77.5	0	0	0	109.3	E218	H216-E218 PolarHBondContact O-N 3.31Å
217	L	50.8	Low	57.3	Low	71 Å²	71	87.1 Å²	87.1	37%	0.372	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-54.6	128.4	176.6	-85	151.8	0	0	0	111.8	M210 I221 V223	M210-L217 HydrophobicContact CE-CD1 4.13Å; M210-L217 HydrophobicContact CE-CD2 3.96Å; M210-L217 HydrophobicContact CE-CG 4.35Å; M210-L217 HydrophobicContact SD-CD2 4.47Å; L217-I221 HydrophobicContact CD2-CB 4.27Å; L217-I221 HydrophobicContact CD2-CD1 4.16Å; L217-I221 HydrophobicContact CD2-CG2 4.11Å; L217-V223 HydrophobicContact CD1-CG2 4.32Å
218	E	53.6	Low	57.6	Low	112 Å²	112	92.4 Å²	92.4	52%	0.523	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-79.7	143.7	173.7	-70.3	167	-128	0	0	111	Y215 H216 N220 I221	Y215-E218 VanDerWaalsContact OH-CD 3.32Å; Y215-E218 WeakPolarHBondContact OH-CG 3.43Å; Y215-E218 PolarHBondContact OH-OE1 2.95Å; H216-E218 PolarHBondContact O-N 3.31Å; E218-N220 PolarHBondContact O-N 3.01Å; E218-I221 PolarHBondContact O-N 3.05Å
219	N	51.1	Low	57.8	Low	166 Å²	166	89.5 Å²	89.5	89%	0.888	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	0.8	-159.3	-71.9	-16.3	0	0	0	118.1
220	N	53.4	Low	57.6	Low	166 Å²	166	88.5 Å²	88.5	89%	0.888	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	5.3	-175.3	-79.1	-8	0	0	0	114.4	E218	E218-N220 PolarHBondContact O-N 3.01Å
221	I	56.6	Low	57.6	Low	36 Å²	36	91.1 Å²	91.1	19%	0.185	47%	0.473	C	S	.	.			trans	-101	126.4	-174	-64	176.4	0	0	0	110.9	V206 L217 E218 V223 I226	V206-I221 HydrophobicContact CB-CD1 4.28Å; V206-I221 HydrophobicContact CG1-CD1 3.54Å; V206-I221 HydrophobicContact CG2-CD1 4.45Å; L217-I221 HydrophobicContact CD2-CB 4.27Å; L217-I221 HydrophobicContact CD2-CD1 4.16Å; L217-I221 HydrophobicContact CD2-CG2 4.11Å; E218-I221 PolarHBondContact O-N 3.05Å; I221-V223 PolarHBondContact O-N 2.98Å; I221-I226 HydrophobicContact CG2-CD1 3.42Å; I221-I226 VanDerWaalsContact CG2-CD1 3.42Å; I221-I226 HydrophobicContact CG2-CG1 4.31Å
222	N	63.4	Low	58	Low	96 Å²	96	91.5 Å²	91.5	51%	0.513	48%	0.478	S	S	.	.			trans	-73.9	97.8	174.6	-176.5	-6.5	0	0	0	110.4	D224 C225 I226	N222-D224 VanDerWaalsContact C-N 3.29Å; N222-D224 PolarHBondContact O-N 3.14Å; N222-D224 PolarHBondContact OD1-N 3.11Å; N222-C225 HydrophobicContact CB-CB 4.05Å; N222-C225 WeakPolarHBondContact O-CB 3.45Å; N222-C225 PolarHBondContact O-N 2.94Å; N222-C225 VanDerWaalsContact O-N 3.16Å; N222-C225 PolarHBondContact OD1-N 2.78Å; N222-I226 PolarHBondContact O-N 3.04Å
223	V	62.4	Low	58.2	Low	83 Å²	83	91.2 Å²	91.2	50%	0.503	48%	0.475	S	S	.	.	H	α-helix	trans	-59.6	-36.2	-177.9	-178.9	0	0	0	0	112.4	L217 I221 I226 K227	L217-V223 HydrophobicContact CD1-CG2 4.32Å; I221-V223 PolarHBondContact O-N 2.98Å; V223-I226 PolarHBondContact O-N 3.37Å; V223-K227 WeakPolarHBondContact O-CB 3.43Å; V223-K227 PolarHBondContact O-N 3.15Å
224	D	65.3	Low	58.8	Low	97 Å²	97	90.3 Å²	90.3	52%	0.519	46%	0.462	S	S	.	.	H	α-helix	trans	-69.2	-33.7	178.8	-70.8	-51.2	0	0	0	111.9	N222 K227 D228	N222-D224 VanDerWaalsContact C-N 3.29Å; N222-D224 PolarHBondContact O-N 3.14Å; N222-D224 PolarHBondContact OD1-N 3.11Å; D224-K227 PolarHBondContact O-N 2.99Å; D224-D228 PolarHBondContact O-N 3.4Å
225	C	71.3	Confident	59.3	Low	31 Å²	31	92.3 Å²	92.3	21%	0.209	46%	0.462	C	S	.	.	H	α-helix	trans	-63.4	-43.1	173.2	-176.4	0	0	0	0	112.1	C200 N222 D228 C229	C200-C225 WeakPolarHBondContact CA-SG 3.28Å; C200-C225 HydrophobicContact CB-CB 3.91Å; C200-C225 WeakPolarHBondContact CB-SG 3.25Å; C200-C225 WeakPolarHBondContact SG-CB 3.39Å; C200-C225 PolarHBondContact SG-O 3.12Å; C200-C225 VanDerWaalsContact SG-O 3.41Å; C200-C225 CovalentContact SG-SG 2.05Å; C200-C225 PolarHBondContact SG-SG 2.67Å; N222-C225 HydrophobicContact CB-CB 4.05Å; N222-C225 WeakPolarHBondContact O-CB 3.45Å; N222-C225 PolarHBondContact O-N 2.94Å; N222-C225 VanDerWaalsContact O-N 3.16Å; N222-C225 PolarHBondContact OD1-N 2.78Å; C225-D228 PolarHBondContact O-N 3.15Å; C225-C229 PolarHBondContact O-N 3.46Å
226	I	65.1	Low	59.4	Low	6 Å²	6	94 Å²	94	3%	0.031	47%	0.474	C	S	.	.	H	α-helix	trans	-64.9	-45.1	175.9	-68.2	-176.1	0	0	0	110.2	C200 M210 I221 N222 V223 D228 C229 F230	C200-I226 HydrophobicContact CB-CG1 4.45Å; M210-I226 HydrophobicContact CE-CD1 4.14Å; M210-I226 HydrophobicContact CE-CG2 4.03Å; M210-I226 HydrophobicContact SD-CD1 3.99Å; M210-I226 HydrophobicContact SD-CG2 4.4Å; I221-I226 HydrophobicContact CG2-CD1 3.42Å; I221-I226 VanDerWaalsContact CG2-CD1 3.42Å; I221-I226 HydrophobicContact CG2-CG1 4.31Å; N222-I226 PolarHBondContact O-N 3.04Å; V223-I226 PolarHBondContact O-N 3.37Å; I226-D228 VanDerWaalsContact C-N 3.29Å; I226-D228 PolarHBondContact O-N 2.96Å; I226-C229 WeakPolarHBondContact O-CB 3.38Å; I226-C229 PolarHBondContact O-N 3.38Å; I226-C229 VanDerWaalsContact O-N 3.13Å; I226-F230 HydrophobicContact CG2-CD2 3.77Å; I226-F230 HydrophobicContact CG2-CE2 3.85Å; I226-F230 WeakPolarHBondContact O-CD2 3.42Å; I226-F230 PolarHBondContact O-N 3.09Å
227	K	61.4	Low	60.2	Low	122 Å²	122	89.8 Å²	89.8	53%	0.53	46%	0.46	S	S	.	.	H	α-helix	trans	-57.7	-41	176.8	-177.2	-175	173.5	-166.9	0	112	V223 D224 F230 M231	V223-K227 WeakPolarHBondContact O-CB 3.43Å; V223-K227 PolarHBondContact O-N 3.15Å; D224-K227 PolarHBondContact O-N 2.99Å; K227-F230 WeakPolarHBondContact O-CB 3.4Å; K227-F230 PolarHBondContact O-N 2.85Å; K227-M231 WeakPolarHBondContact O-CB 3.31Å; K227-M231 VanDerWaalsContact O-CG 3.25Å; K227-M231 WeakPolarHBondContact O-CG 3.41Å; K227-M231 PolarHBondContact O-N 2.94Å
228	D	67.3	Low	60.9	Low	112 Å²	112	93.8 Å²	93.8	60%	0.599	48%	0.477	S	S	*	.	H	α-helix	trans	-67.6	-41.6	174.2	-78.2	-10.1	0	0	0	111.9	D224 C225 I226 F230 M231 D232	D224-D228 PolarHBondContact O-N 3.4Å; C225-D228 PolarHBondContact O-N 3.15Å; I226-D228 VanDerWaalsContact C-N 3.29Å; I226-D228 PolarHBondContact O-N 2.96Å; D228-F230 VanDerWaalsContact C-N 3.31Å; D228-F230 PolarHBondContact O-N 3.25Å; D228-M231 PolarHBondContact O-N 3.08Å; D228-D232 VanDerWaalsContact O-CB 3.28Å; D228-D232 WeakPolarHBondContact O-CB 3.44Å; D228-D232 PolarHBondContact O-N 3.13Å
229	C	68.3	Low	61.7	Low	6 Å²	6	93.8 Å²	93.8	4%	0.041	48%	0.481	C	S	.	.	H	α-helix	trans	-55.3	-44.1	170.7	-100.6	0	0	0	0	112.3	C195 C225 I226 K233	C195-C229 HydrophobicContact CB-CB 4.06Å; C195-C229 WeakPolarHBondContact CB-SG 3.44Å; C195-C229 PolarHBondContact O-SG 3.14Å; C195-C229 WeakPolarHBondContact SG-CB 3.33Å; C195-C229 CovalentContact SG-SG 2.06Å; C195-C229 PolarHBondContact SG-SG 2.85Å; C225-C229 PolarHBondContact O-N 3.46Å; I226-C229 WeakPolarHBondContact O-CB 3.38Å; I226-C229 PolarHBondContact O-N 3.38Å; I226-C229 VanDerWaalsContact O-N 3.13Å; C229-K233 PolarHBondContact O-N 2.74Å
230	F	60.2	Low	62.3	Low	64 Å²	64	90.3 Å²	90.3	28%	0.281	46%	0.459	S	S	.	.	H	α-helix	trans	-62.3	-50.3	175.2	-94.8	-93.4	0	0	0	112	M192 I226 K227 D228 D232 K233 L234	M192-F230 HydrophobicContact CE-CD1 3.66Å; M192-F230 HydrophobicContact CE-CE1 3.68Å; M192-F230 HydrophobicContact CE-CG 4.44Å; M192-F230 HydrophobicContact CE-CZ 4.46Å; M192-F230 HydrophobicContact SD-CD1 4.03Å; M192-F230 HydrophobicContact SD-CE1 3.53Å; M192-F230 VanDerWaalsContact SD-CE1 3.53Å; M192-F230 HydrophobicContact SD-CE2 4.4Å; M192-F230 HydrophobicContact SD-CZ 3.75Å; I226-F230 HydrophobicContact CG2-CD2 3.77Å; I226-F230 HydrophobicContact CG2-CE2 3.85Å; I226-F230 WeakPolarHBondContact O-CD2 3.42Å; I226-F230 PolarHBondContact O-N 3.09Å; K227-F230 WeakPolarHBondContact O-CB 3.4Å; K227-F230 PolarHBondContact O-N 2.85Å; D228-F230 VanDerWaalsContact C-N 3.31Å; D228-F230 PolarHBondContact O-N 3.25Å; F230-D232 VanDerWaalsContact C-N 3.35Å; F230-D232 PolarHBondContact O-N 2.98Å; F230-K233 PolarHBondContact O-N 3.18Å; F230-L234 WeakPolarHBondContact O-CB 3.37Å; F230-L234 WeakPolarHBondContact O-CG 3.32Å; F230-L234 PolarHBondContact O-N 3.37Å
231	M	60.4	Low	62.7	Low	114 Å²	114	86.3 Å²	86.3	56%	0.562	44%	0.435	S	S	*	.	H	α-helix	trans	-70.5	-27.9	-175.8	-68.8	-64.9	-65.2	0	0	113.2	K227 D228	K227-M231 WeakPolarHBondContact O-CB 3.31Å; K227-M231 VanDerWaalsContact O-CG 3.25Å; K227-M231 WeakPolarHBondContact O-CG 3.41Å; K227-M231 PolarHBondContact O-N 2.94Å; D228-M231 PolarHBondContact O-N 3.08Å
232	D	65.6	Low	63.4	Low	84 Å²	84	90.2 Å²	90.2	45%	0.449	45%	0.451	S	S	.	.	H	α-helix	trans	-75.8	-33.5	177.4	-145.6	33.3	0	0	0	111.7	K199 D228 F230 K235	K199-D232 IonicContact NZ-OD2 3.31Å; D228-D232 VanDerWaalsContact O-CB 3.28Å; D228-D232 WeakPolarHBondContact O-CB 3.44Å; D228-D232 PolarHBondContact O-N 3.13Å; F230-D232 VanDerWaalsContact C-N 3.35Å; F230-D232 PolarHBondContact O-N 2.98Å; D232-K235 IonicContact OD1-NZ 3.02Å; D232-K235 PolarHBondContact OD1-NZ 2.78Å
233	K	61.1	Low	63.7	Low	101 Å²	101	92.4 Å²	92.4	44%	0.439	46%	0.458	S	S	.	.	H	α-helix	trans	-79.9	-21.8	173.5	-84.6	-75.5	-171.4	173.4	0	114.2	E191 C229 F230 K235	E191-K233 IonicContact OE1-NZ 2.72Å; E191-K233 PolarHBondContact OE1-NZ 3.28Å; E191-K233 IonicContact OE2-NZ 3.7Å; E191-K233 PolarHBondContact OE2-NZ 2.98Å; C229-K233 PolarHBondContact O-N 2.74Å; F230-K233 PolarHBondContact O-N 3.18Å; K233-K235 VanDerWaalsContact C-N 3.31Å
234	L	52.8	Low	63.5	Low	116 Å²	116	92.3 Å²	92.3	61%	0.607	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	5.2	175.7	-75.3	168.8	0	0	0	114.2	F230 L236	F230-L234 WeakPolarHBondContact O-CB 3.37Å; F230-L234 WeakPolarHBondContact O-CG 3.32Å; F230-L234 PolarHBondContact O-N 3.37Å; L234-L236 PolarHBondContact O-N 3.11Å
235	K	55.6	Low	63.6	Low	142 Å²	142	91.7 Å²	91.7	62%	0.617	45%	0.451	S	S	*	.			trans	-77.6	101.5	173.7	-73.6	167.7	-172.8	169.5	0	110.4	D232 K233	D232-K235 IonicContact OD1-NZ 3.02Å; D232-K235 PolarHBondContact OD1-NZ 2.78Å; K233-K235 VanDerWaalsContact C-N 3.31Å
236	L	52.5	Low	63.7	Low	83 Å²	83	93.1 Å²	93.1	44%	0.435	47%	0.465	S	S	.	.			trans	-50.3	138	165.9	-64.2	166.6	0	0	0	110.5	L234 E240 L244	L234-L236 PolarHBondContact O-N 3.11Å; L236-E240 HydrophobicContact CB-CB 4.29Å; L236-E240 HydrophobicContact CD2-CB 3.95Å; L236-L244 HydrophobicContact CD1-CD2 4Å
237	T	65.9	Low	63.5	Low	77 Å²	77	95.6 Å²	95.6	47%	0.472	49%	0.486	S	S	.	.			trans	-70.9	161.7	171.1	64.4	0	0	0	0	111.3	N239 E240 Q241	T237-N239 PolarHBondContact O-N 3.46Å; T237-E240 VanDerWaalsContact CB-OE2 3.24Å; T237-E240 WeakPolarHBondContact CB-OE2 3.5Å; T237-E240 VanDerWaalsContact CG2-OE2 3.29Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.28Å; T237-E240 PolarHBondContact N-OE2 3.09Å; T237-E240 PolarHBondContact O-N 2.92Å; T237-E240 WeakPolarHBondContact OG1-CG 3.46Å; T237-E240 PolarHBondContact OG1-N 3.13Å; T237-E240 PolarHBondContact OG1-OE2 3.03Å; T237-Q241 WeakPolarHBondContact O-CB 3.15Å; T237-Q241 PolarHBondContact O-N 3.37Å
238	E	65.3	Low	63.2	Low	156 Å²	156	95 Å²	95	73%	0.729	49%	0.485	S	S	*	.	H	α-helix	trans	-60	-14.7	176.8	-71.4	-162	157.3	0	0	114.7	K242	E238-K242 VanDerWaalsContact O-CD 3.24Å; E238-K242 WeakPolarHBondContact O-CD 3.25Å; E238-K242 WeakPolarHBondContact O-CE 3.45Å; E238-K242 VanDerWaalsContact O-CG 3.23Å; E238-K242 WeakPolarHBondContact O-CG 3.13Å; E238-K242 PolarHBondContact O-NZ 3.21Å
239	N	70.9	Confident	63.3	Low	112 Å²	112	94.8 Å²	94.8	60%	0.599	48%	0.484	S	S	*	.	H	α-helix	trans	-86.3	-50.2	172.9	-82	0.4	0	0	0	111	T237 Q241 K242 E243	T237-N239 PolarHBondContact O-N 3.46Å; N239-Q241 PolarHBondContact O-N 3.5Å; N239-K242 WeakPolarHBondContact O-CA 3.12Å; N239-K242 WeakPolarHBondContact O-CB 3.31Å; N239-K242 PolarHBondContact O-N 3.41Å; N239-E243 PolarHBondContact O-N 3.05Å
240	E	63.5	Low	63.5	Low	92 Å²	92	99.2 Å²	99.2	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-36.5	177	-64.5	158.3	121.7	0	0	111.4	L236 T237 K242 E243 L244	L236-E240 HydrophobicContact CB-CB 4.29Å; L236-E240 HydrophobicContact CD2-CB 3.95Å; T237-E240 VanDerWaalsContact CB-OE2 3.24Å; T237-E240 WeakPolarHBondContact CB-OE2 3.5Å; T237-E240 VanDerWaalsContact CG2-OE2 3.29Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.28Å; T237-E240 PolarHBondContact N-OE2 3.09Å; T237-E240 PolarHBondContact O-N 2.92Å; T237-E240 WeakPolarHBondContact OG1-CG 3.46Å; T237-E240 PolarHBondContact OG1-N 3.13Å; T237-E240 PolarHBondContact OG1-OE2 3.03Å; E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 3.04Å; E240-E243 PolarHBondContact O-N 3.38Å; E240-L244 WeakPolarHBondContact O-CB 3.33Å; E240-L244 PolarHBondContact O-N 2.87Å
241	Q	62.3	Low	63.3	Low	83 Å²	83	102.8 Å²	102.8	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-39.5	173.6	-162.4	72.9	63.6	0	0	111.9	T237 N239 D245	T237-Q241 WeakPolarHBondContact O-CB 3.15Å; T237-Q241 PolarHBondContact O-N 3.37Å; N239-Q241 PolarHBondContact O-N 3.5Å; Q241-D245 WeakPolarHBondContact O-CB 3.25Å; Q241-D245 PolarHBondContact O-N 2.66Å
242	K	70	Confident	63.1	Low	118 Å²	118	101.2 Å²	101.2	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-72.5	-35.6	175.6	-74.8	169.2	-167.1	135.4	0	112.7	E238 N239 E240 D245 A246	E238-K242 VanDerWaalsContact O-CD 3.24Å; E238-K242 WeakPolarHBondContact O-CD 3.25Å; E238-K242 WeakPolarHBondContact O-CE 3.45Å; E238-K242 VanDerWaalsContact O-CG 3.23Å; E238-K242 WeakPolarHBondContact O-CG 3.13Å; E238-K242 PolarHBondContact O-NZ 3.21Å; N239-K242 WeakPolarHBondContact O-CA 3.12Å; N239-K242 WeakPolarHBondContact O-CB 3.31Å; N239-K242 PolarHBondContact O-N 3.41Å; E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 3.04Å; K242-D245 PolarHBondContact O-N 2.9Å; K242-A246 VanDerWaalsContact O-CB 3.26Å; K242-A246 WeakPolarHBondContact O-CB 3.26Å; K242-A246 PolarHBondContact O-N 3.36Å
243	E	70.1	Confident	63.2	Low	141 Å²	141	104.7 Å²	104.7	66%	0.659	52%	0.522	S	S	*	.	H	α-helix	trans	-69.4	-39.1	175.7	-71.4	-175.5	166.3	0	0	111	N239 E240 A246 A247	N239-E243 PolarHBondContact O-N 3.05Å; E240-E243 PolarHBondContact O-N 3.38Å; E243-A246 PolarHBondContact O-N 3.4Å; E243-A247 WeakPolarHBondContact O-CB 3.45Å; E243-A247 PolarHBondContact O-N 3.43Å
244	L	58.1	Low	63.1	Low	81 Å²	81	107.7 Å²	107.7	42%	0.424	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-49.4	170.3	-175.7	64.5	0	0	0	111.3	L236 E240 A246 A247 Q248	L236-L244 HydrophobicContact CD1-CD2 4Å; E240-L244 WeakPolarHBondContact O-CB 3.33Å; E240-L244 PolarHBondContact O-N 2.87Å; L244-A246 VanDerWaalsContact C-N 3.29Å; L244-A246 PolarHBondContact O-N 3.43Å; L244-A247 PolarHBondContact O-N 3.34Å; L244-Q248 VanDerWaalsContact O-CB 3.29Å; L244-Q248 WeakPolarHBondContact O-CB 3.29Å; L244-Q248 PolarHBondContact O-N 3.34Å
245	D	68.7	Low	63	Low	85 Å²	85	107 Å²	107	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-60	-38.3	175.7	-77.6	-20.7	0	0	0	112	Q241 K242 N249	Q241-D245 WeakPolarHBondContact O-CB 3.25Å; Q241-D245 PolarHBondContact O-N 2.66Å; K242-D245 PolarHBondContact O-N 2.9Å; D245-N249 WeakPolarHBondContact O-CB 3.27Å; D245-N249 PolarHBondContact O-N 3.24Å; D245-N249 PolarHBondContact O-ND2 3.27Å
246	A	73	Confident	62.8	Low	60 Å²	60	105.2 Å²	105.2	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-46	176.2	0	0	0	0	0	111.9	K242 E243 L244 N249 E250	K242-A246 VanDerWaalsContact O-CB 3.26Å; K242-A246 WeakPolarHBondContact O-CB 3.26Å; K242-A246 PolarHBondContact O-N 3.36Å; E243-A246 PolarHBondContact O-N 3.4Å; L244-A246 VanDerWaalsContact C-N 3.29Å; L244-A246 PolarHBondContact O-N 3.43Å; A246-N249 PolarHBondContact O-N 3.43Å; A246-E250 PolarHBondContact O-N 2.91Å
247	A	59.8	Low	63.2	Low	59 Å²	59	104.6 Å²	104.6	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-40	176.4	0	0	0	0	0	111.9	E243 L244 E250 Y251	E243-A247 WeakPolarHBondContact O-CB 3.45Å; E243-A247 PolarHBondContact O-N 3.43Å; L244-A247 PolarHBondContact O-N 3.34Å; A247-E250 PolarHBondContact O-N 3.09Å; A247-Y251 WeakPolarHBondContact O-CB 3.28Å; A247-Y251 PolarHBondContact O-N 3.07Å
248	Q	56.2	Low	62	Low	108 Å²	108	103.5 Å²	103.5	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-42.2	174.7	-161.2	101.9	10.3	0	0	111.1	L244 Y251 N252	L244-Q248 VanDerWaalsContact O-CB 3.29Å; L244-Q248 WeakPolarHBondContact O-CB 3.29Å; L244-Q248 PolarHBondContact O-N 3.34Å; Q248-Y251 PolarHBondContact O-N 2.75Å; Q248-N252 WeakPolarHBondContact O-CB 3.25Å; Q248-N252 PolarHBondContact O-N 3.42Å; Q248-N252 PolarHBondContact O-ND2 3.4Å
249	N	69.1	Low	61.1	Low	108 Å²	108	99.1 Å²	99.1	58%	0.578	49%	0.492	S	S	*	.	H	α-helix	trans	-66.9	-39.1	175.1	-82.9	-65.7	0	0	0	112.6	D245 A246 K253	D245-N249 WeakPolarHBondContact O-CB 3.27Å; D245-N249 PolarHBondContact O-N 3.24Å; D245-N249 PolarHBondContact O-ND2 3.27Å; A246-N249 PolarHBondContact O-N 3.43Å; N249-K253 WeakPolarHBondContact O-CB 3.42Å; N249-K253 PolarHBondContact O-N 3.32Å
250	E	71.9	Confident	60.4	Low	100 Å²	100	98.4 Å²	98.4	47%	0.467	49%	0.488	S	S	.	.	H	α-helix	trans	-68.5	-41.2	174.1	-170.5	173.8	165.2	0	0	111.9	A246 A247 N252 K253 R254	A246-E250 PolarHBondContact O-N 2.91Å; A247-E250 PolarHBondContact O-N 3.09Å; E250-N252 PolarHBondContact O-N 3.32Å; E250-K253 PolarHBondContact O-N 3.37Å; E250-R254 HydrophobicContact CG-CG 4.29Å; E250-R254 WeakPolarHBondContact O-CG 3.46Å; E250-R254 PolarHBondContact O-N 3.48Å; E250-R254 IonicContact OE1-CZ 3.19Å; E250-R254 IonicContact OE1-NE 2.75Å; E250-R254 PolarHBondContact OE1-NE 3.37Å; E250-R254 IonicContact OE1-NH2 2.72Å; E250-R254 PolarHBondContact OE1-NH2 3.37Å
251	Y	57	Low	59.9	Low	138 Å²	138	100.4 Å²	100.4	54%	0.541	50%	0.498	S	S	.	.	H	α-helix	trans	-56.1	-51.2	173.3	177.9	-89.6	0	0	0	110.9	A247 Q248 K253 R254 F255	A247-Y251 WeakPolarHBondContact O-CB 3.28Å; A247-Y251 PolarHBondContact O-N 3.07Å; Q248-Y251 PolarHBondContact O-N 2.75Å; Y251-K253 VanDerWaalsContact C-N 3.27Å; Y251-K253 PolarHBondContact O-N 2.88Å; Y251-R254 PolarHBondContact O-N 2.06Å; Y251-F255 HydrophobicContact CE1-CB 4.34Å; Y251-F255 VanDerWaalsContact O-CB 3.28Å; Y251-F255 WeakPolarHBondContact O-CB 3.31Å; Y251-F255 PolarHBondContact O-N 3.37Å
252	N	55.8	Low	59	Low	81 Å²	81	101.4 Å²	101.4	43%	0.433	50%	0.502	S	S	.	.	H	α-helix	trans	-57.8	-40.6	177.5	-70.8	-20.2	0	0	0	111.7	Q248 E250 F255 Q256	Q248-N252 WeakPolarHBondContact O-CB 3.25Å; Q248-N252 PolarHBondContact O-N 3.42Å; Q248-N252 PolarHBondContact O-ND2 3.4Å; E250-N252 PolarHBondContact O-N 3.32Å; N252-F255 PolarHBondContact O-N 3Å; N252-Q256 WeakPolarHBondContact O-CB 3.4Å; N252-Q256 PolarHBondContact O-N 3.1Å
253	K	67.3	Low	57.5	Low	157 Å²	157	99.1 Å²	99.1	68%	0.683	50%	0.501	S	S	*	.	H	α-helix	trans	-67.7	-41.6	178	-166.5	175.9	-176.8	-178.8	0	112.7	N249 E250 Y251 T257	N249-K253 WeakPolarHBondContact O-CB 3.42Å; N249-K253 PolarHBondContact O-N 3.32Å; E250-K253 PolarHBondContact O-N 3.37Å; Y251-K253 VanDerWaalsContact C-N 3.27Å; Y251-K253 PolarHBondContact O-N 2.88Å; K253-T257 WeakPolarHBondContact O-CB 3.21Å; K253-T257 PolarHBondContact O-N 2.6Å; K253-T257 VanDerWaalsContact O-N 3.09Å; K253-T257 PolarHBondContact O-OG1 3.07Å
254	R	58.7	Low	56.4	Low	165 Å²	165	96.8 Å²	96.8	62%	0.623	50%	0.496	S	S	*	.	H	α-helix	trans	-66.1	-40.8	173.1	-70.5	-179.9	-177.6	-155.9	6.8	111.2	E250 Y251 T257 C258	E250-R254 HydrophobicContact CG-CG 4.29Å; E250-R254 WeakPolarHBondContact O-CG 3.46Å; E250-R254 PolarHBondContact O-N 3.48Å; E250-R254 IonicContact OE1-CZ 3.19Å; E250-R254 IonicContact OE1-NE 2.75Å; E250-R254 PolarHBondContact OE1-NE 3.37Å; E250-R254 IonicContact OE1-NH2 2.72Å; E250-R254 PolarHBondContact OE1-NH2 3.37Å; Y251-R254 PolarHBondContact O-N 2.06Å; R254-T257 WeakPolarHBondContact O-CB 3.46Å; R254-T257 PolarHBondContact O-N 2.77Å; R254-C258 PolarHBondContact O-N 3.49Å
255	F	50.8	Low	55.7	Low	101 Å²	101	96.2 Å²	96.2	44%	0.443	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-45.9	177.6	-175.5	-100.1	0	0	0	111.8	Y251 N252 T257 C258 L259	Y251-F255 HydrophobicContact CE1-CB 4.34Å; Y251-F255 VanDerWaalsContact O-CB 3.28Å; Y251-F255 WeakPolarHBondContact O-CB 3.31Å; Y251-F255 PolarHBondContact O-N 3.37Å; N252-F255 PolarHBondContact O-N 3Å; F255-T257 VanDerWaalsContact C-N 3.34Å; F255-T257 PolarHBondContact O-N 3.16Å; F255-C258 WeakPolarHBondContact O-CA 3.22Å; F255-C258 WeakPolarHBondContact O-CB 3.44Å; F255-C258 PolarHBondContact O-N 2.98Å; F255-C258 VanDerWaalsContact O-N 3.1Å; F255-L259 HydrophobicContact CD1-CD1 3.95Å; F255-L259 HydrophobicContact CE1-CD1 3.55Å; F255-L259 HydrophobicContact CE1-CG 4.18Å; F255-L259 HydrophobicContact CZ-CD1 4.28Å; F255-L259 PolarHBondContact O-N 3.49Å
256	Q	52.4	Low	54.5	Low	104 Å²	104	96.5 Å²	96.5	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-40.8	175.3	-154.7	68.9	16	0	0	111.8	N252 C258 L259 D260	N252-Q256 WeakPolarHBondContact O-CB 3.4Å; N252-Q256 PolarHBondContact O-N 3.1Å; Q256-C258 VanDerWaalsContact C-N 3.25Å; Q256-C258 PolarHBondContact O-N 3.49Å; Q256-L259 PolarHBondContact O-N 3.28Å; Q256-D260 PolarHBondContact O-N 3.02Å
257	T	60.5	Low	53	Low	70 Å²	70	100.4 Å²	100.4	43%	0.429	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-35.1	174.1	-52.9	0	0	0	0	111.8	K253 R254 F255 Q261	K253-T257 WeakPolarHBondContact O-CB 3.21Å; K253-T257 PolarHBondContact O-N 2.6Å; K253-T257 VanDerWaalsContact O-N 3.09Å; K253-T257 PolarHBondContact O-OG1 3.07Å; R254-T257 WeakPolarHBondContact O-CB 3.46Å; R254-T257 PolarHBondContact O-N 2.77Å; F255-T257 VanDerWaalsContact C-N 3.34Å; F255-T257 PolarHBondContact O-N 3.16Å; T257-Q261 WeakPolarHBondContact O-CB 3.5Å; T257-Q261 WeakPolarHBondContact O-CG 3.42Å; T257-Q261 PolarHBondContact O-N 3.38Å; T257-Q261 VanDerWaalsContact O-N 3.1Å
258	C	41.4	Very low	52.5	Low	54 Å²	54	101.6 Å²	101.6	37%	0.365	51%	0.506	S	S	.	.	H	α-helix	trans	-70.6	-41	174.9	-167.2	0	0	0	0	112.1	R254 F255 Q256 Q261 Q262	R254-C258 PolarHBondContact O-N 3.49Å; F255-C258 WeakPolarHBondContact O-CA 3.22Å; F255-C258 WeakPolarHBondContact O-CB 3.44Å; F255-C258 PolarHBondContact O-N 2.98Å; F255-C258 VanDerWaalsContact O-N 3.1Å; Q256-C258 VanDerWaalsContact C-N 3.25Å; Q256-C258 PolarHBondContact O-N 3.49Å; C258-Q261 PolarHBondContact O-N 2.9Å; C258-Q262 WeakPolarHBondContact O-CB 3.49Å; C258-Q262 WeakPolarHBondContact O-CG 3.36Å; C258-Q262 PolarHBondContact O-N 3.29Å; C258-Q262 PolarHBondContact SG-NE2 3.27Å
259	L	45.9	Very low	51.8	Low	64 Å²	64	98.6 Å²	98.6	34%	0.335	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-47.1	172.8	-80.6	171.8	0	0	0	111.8	F255 Q256 Q261 Q262 C263	F255-L259 HydrophobicContact CD1-CD1 3.95Å; F255-L259 HydrophobicContact CE1-CD1 3.55Å; F255-L259 HydrophobicContact CE1-CG 4.18Å; F255-L259 HydrophobicContact CZ-CD1 4.28Å; F255-L259 PolarHBondContact O-N 3.49Å; Q256-L259 PolarHBondContact O-N 3.28Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 2.69Å; L259-Q262 PolarHBondContact O-N 3.43Å; L259-C263 WeakPolarHBondContact O-CB 3.26Å; L259-C263 PolarHBondContact O-N 3.02Å; L259-C263 PolarHBondContact O-SG 2.87Å; L259-C263 VanDerWaalsContact O-SG 3.38Å
260	D	55.1	Low	50.4	Low	97 Å²	97	97.5 Å²	97.5	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-60.2	-43.2	177.4	-69.6	-26.7	0	0	0	111.3	Q256 C263 V264	Q256-D260 PolarHBondContact O-N 3.02Å; D260-C263 PolarHBondContact O-N 2.87Å; D260-V264 WeakPolarHBondContact O-CG2 3.44Å; D260-V264 PolarHBondContact O-N 2.87Å
261	Q	53.5	Low	49.2	Very low	134 Å²	134	96 Å²	96	63%	0.626	49%	0.487	S	S	*	.	H	α-helix	trans	-65.9	-36.7	175.2	-75.8	-178.9	-7.6	0	0	113.5	T257 C258 L259 S265	T257-Q261 WeakPolarHBondContact O-CB 3.5Å; T257-Q261 WeakPolarHBondContact O-CG 3.42Å; T257-Q261 PolarHBondContact O-N 3.38Å; T257-Q261 VanDerWaalsContact O-N 3.1Å; C258-Q261 PolarHBondContact O-N 2.9Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 2.69Å; Q261-S265 PolarHBondContact O-N 2.86Å; Q261-S265 PolarHBondContact O-OG 3.05Å
262	Q	43.7	Very low	48.6	Very low	104 Å²	104	94.4 Å²	94.4	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-70	-40.4	174.3	-74.2	-176.3	27.2	0	0	111.9	C258 L259 V264 S265 I266	C258-Q262 WeakPolarHBondContact O-CB 3.49Å; C258-Q262 WeakPolarHBondContact O-CG 3.36Å; C258-Q262 PolarHBondContact O-N 3.29Å; C258-Q262 PolarHBondContact SG-NE2 3.27Å; L259-Q262 PolarHBondContact O-N 3.43Å; Q262-V264 VanDerWaalsContact C-N 3.33Å; Q262-V264 PolarHBondContact O-N 3.35Å; Q262-S265 PolarHBondContact O-N 2.99Å; Q262-S265 PolarHBondContact O-OG 3.27Å; Q262-I266 VanDerWaalsContact O-CB 3.3Å; Q262-I266 WeakPolarHBondContact O-CB 3.34Å; Q262-I266 WeakPolarHBondContact O-CD1 3.22Å; Q262-I266 WeakPolarHBondContact O-CG1 3.47Å; Q262-I266 PolarHBondContact O-N 2.98Å
263	C	38.8	Very low	47.9	Very low	70 Å²	70	95.7 Å²	95.7	47%	0.473	49%	0.491	S	S	.	.	H	α-helix	trans	-60.7	-42.1	174	-75.5	0	0	0	0	111.8	L259 D260 Q267	L259-C263 WeakPolarHBondContact O-CB 3.26Å; L259-C263 PolarHBondContact O-N 3.02Å; L259-C263 PolarHBondContact O-SG 2.87Å; L259-C263 VanDerWaalsContact O-SG 3.38Å; D260-C263 PolarHBondContact O-N 2.87Å; C263-Q267 WeakPolarHBondContact O-CB 2.87Å; C263-Q267 WeakPolarHBondContact O-CG 3.33Å; C263-Q267 PolarHBondContact O-N 3.5Å
264	V	47	Very low	46.7	Very low	92 Å²	92	93.9 Å²	93.9	56%	0.558	49%	0.485	S	S	*	.	H	α-helix	trans	-65.1	-45.6	174	171.5	0	0	0	0	111.5	D260 Q262 I266 Q267 D268	D260-V264 WeakPolarHBondContact O-CG2 3.44Å; D260-V264 PolarHBondContact O-N 2.87Å; Q262-V264 VanDerWaalsContact C-N 3.33Å; Q262-V264 PolarHBondContact O-N 3.35Å; V264-I266 VanDerWaalsContact C-N 3.34Å; V264-I266 PolarHBondContact O-N 3.2Å; V264-Q267 PolarHBondContact O-N 2.81Å; V264-D268 PolarHBondContact O-N 3.04Å
265	S	44	Very low	46	Very low	69 Å²	69	93.5 Å²	93.5	48%	0.483	48%	0.483	S	S	.	.	H	α-helix	trans	-68.5	-31.5	179.8	74	0	0	0	0	113	Q261 Q262 A269	Q261-S265 PolarHBondContact O-N 2.86Å; Q261-S265 PolarHBondContact O-OG 3.05Å; Q262-S265 PolarHBondContact O-N 2.99Å; Q262-S265 PolarHBondContact O-OG 3.27Å; S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.3Å
266	I	41.9	Very low	45.6	Very low	92 Å²	92	94 Å²	94	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-67.6	-43.3	171.1	-71.1	164.8	0	0	0	110.7	Q262 V264 A269 I270	Q262-I266 VanDerWaalsContact O-CB 3.3Å; Q262-I266 WeakPolarHBondContact O-CB 3.34Å; Q262-I266 WeakPolarHBondContact O-CD1 3.22Å; Q262-I266 WeakPolarHBondContact O-CG1 3.47Å; Q262-I266 PolarHBondContact O-N 2.98Å; V264-I266 VanDerWaalsContact C-N 3.34Å; V264-I266 PolarHBondContact O-N 3.2Å; I266-A269 PolarHBondContact O-N 3.3Å; I266-I270 HydrophobicContact CG2-CD1 3.77Å; I266-I270 HydrophobicContact CG2-CG1 4.46Å; I266-I270 WeakPolarHBondContact O-CB 3.42Å; I266-I270 VanDerWaalsContact O-CG1 3.23Å; I266-I270 WeakPolarHBondContact O-CG1 3.49Å; I266-I270 PolarHBondContact O-N 3.03Å
267	Q	42.4	Very low	44.8	Very low	142 Å²	142	97.3 Å²	97.3	66%	0.664	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-44.4	174.5	-78.3	-175.8	-5.4	0	0	112	C263 V264 I270 L271	C263-Q267 WeakPolarHBondContact O-CB 2.87Å; C263-Q267 WeakPolarHBondContact O-CG 3.33Å; C263-Q267 PolarHBondContact O-N 3.5Å; V264-Q267 PolarHBondContact O-N 2.81Å; Q267-I270 PolarHBondContact O-N 2.88Å; Q267-L271 WeakPolarHBondContact O-CB 3.49Å; Q267-L271 PolarHBondContact O-N 3.05Å
268	D	49.7	Very low	43.7	Very low	84 Å²	84	96.7 Å²	96.7	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-69.1	-35.5	179.1	-134.2	12.1	0	0	0	111.4	V264 L271 Q272	V264-D268 PolarHBondContact O-N 3.04Å; D268-L271 PolarHBondContact O-N 2.95Å; D268-Q272 WeakPolarHBondContact O-CB 3.31Å; D268-Q272 VanDerWaalsContact O-CG 3.3Å; D268-Q272 WeakPolarHBondContact O-CG 3.46Å; D268-Q272 PolarHBondContact O-N 2.91Å
269	A	40.9	Very low	43.5	Very low	44 Å²	44	100.1 Å²	100.1	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-42	171.8	0	0	0	0	0	112.3	S265 I266 L271 Q272 L273	S265-A269 WeakPolarHBondContact O-CB 3.48Å; S265-A269 PolarHBondContact O-N 3.3Å; I266-A269 PolarHBondContact O-N 3.3Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-Q272 PolarHBondContact O-N 3.42Å; A269-L273 WeakPolarHBondContact O-CB 3.45Å; A269-L273 VanDerWaalsContact O-CG 3.27Å; A269-L273 WeakPolarHBondContact O-CG 3.31Å; A269-L273 PolarHBondContact O-N 3.36Å
270	I	39.3	Very low	43	Very low	86 Å²	86	101.2 Å²	101.2	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-43.2	173.3	-71.7	165.3	0	0	0	110.2	I266 Q267 L273 Q274	I266-I270 HydrophobicContact CG2-CD1 3.77Å; I266-I270 HydrophobicContact CG2-CG1 4.46Å; I266-I270 WeakPolarHBondContact O-CB 3.42Å; I266-I270 VanDerWaalsContact O-CG1 3.23Å; I266-I270 WeakPolarHBondContact O-CG1 3.49Å; I266-I270 PolarHBondContact O-N 3.03Å; Q267-I270 PolarHBondContact O-N 2.88Å; I270-L273 PolarHBondContact O-N 2.71Å; I270-Q274 HydrophobicContact CG2-CG 4.49Å; I270-Q274 WeakPolarHBondContact O-CB 3.39Å; I270-Q274 VanDerWaalsContact O-CG 3.32Å; I270-Q274 WeakPolarHBondContact O-CG 3.45Å; I270-Q274 PolarHBondContact O-N 3.25Å
271	L	46	Very low	42.1	Very low	67 Å²	67	102.2 Å²	102.2	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-37.6	177.9	-164	73.6	0	0	0	111.8	Q267 D268 A269 R275	Q267-L271 WeakPolarHBondContact O-CB 3.49Å; Q267-L271 PolarHBondContact O-N 3.05Å; D268-L271 PolarHBondContact O-N 2.95Å; A269-L271 VanDerWaalsContact C-N 3.35Å; L271-R275 WeakPolarHBondContact O-CB 3.38Å; L271-R275 VanDerWaalsContact O-CG 3.24Å; L271-R275 WeakPolarHBondContact O-CG 3.34Å; L271-R275 PolarHBondContact O-N 2.76Å
272	Q	45.9	Very low	41.4	Very low	105 Å²	105	101.8 Å²	101.8	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-67.1	-42.5	171.8	-75.7	-173.7	37.4	0	0	112.1	D268 A269 R275 Q276	D268-Q272 WeakPolarHBondContact O-CB 3.31Å; D268-Q272 VanDerWaalsContact O-CG 3.3Å; D268-Q272 WeakPolarHBondContact O-CG 3.46Å; D268-Q272 PolarHBondContact O-N 2.91Å; A269-Q272 PolarHBondContact O-N 3.42Å; Q272-R275 CarbonylContact O-C 3.6Å; Q272-R275 PolarHBondContact O-N 3.1Å; Q272-Q276 WeakPolarHBondContact O-CB 3.43Å; Q272-Q276 WeakPolarHBondContact O-CG 3.49Å; Q272-Q276 PolarHBondContact O-N 3.2Å
273	L	41	Very low	40.7	Very low	108 Å²	108	102.8 Å²	102.8	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-37.7	176.4	-75.5	168	0	0	0	112	A269 I270 Q276 R277	A269-L273 WeakPolarHBondContact O-CB 3.45Å; A269-L273 VanDerWaalsContact O-CG 3.27Å; A269-L273 WeakPolarHBondContact O-CG 3.31Å; A269-L273 PolarHBondContact O-N 3.36Å; I270-L273 PolarHBondContact O-N 2.71Å; L273-Q276 PolarHBondContact O-N 2.93Å; L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 PolarHBondContact O-N 2.72Å
274	Q	41.9	Very low	40.6	Very low	120 Å²	120	103.3 Å²	103.3	56%	0.561	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-44.5	171.4	-74.6	175.5	-4.8	0	0	111.5	I270 R277 A278	I270-Q274 HydrophobicContact CG2-CG 4.49Å; I270-Q274 WeakPolarHBondContact O-CB 3.39Å; I270-Q274 VanDerWaalsContact O-CG 3.32Å; I270-Q274 WeakPolarHBondContact O-CG 3.45Å; I270-Q274 PolarHBondContact O-N 3.25Å; Q274-R277 PolarHBondContact O-N 3.33Å; Q274-A278 PolarHBondContact O-N 2.93Å
275	R	43.2	Very low	40.3	Very low	156 Å²	156	105.7 Å²	105.7	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-65.4	-35.4	174.5	-73.2	169.1	176.6	174.2	1.1	112.9	L271 Q272 K279	L271-R275 WeakPolarHBondContact O-CB 3.38Å; L271-R275 VanDerWaalsContact O-CG 3.24Å; L271-R275 WeakPolarHBondContact O-CG 3.34Å; L271-R275 PolarHBondContact O-N 2.76Å; Q272-R275 CarbonylContact O-C 3.6Å; Q272-R275 PolarHBondContact O-N 3.1Å; R275-K279 WeakPolarHBondContact O-CG 3.41Å; R275-K279 PolarHBondContact O-N 3Å
276	Q	42.8	Very low	39.7	Very low	111 Å²	111	107.2 Å²	107.2	52%	0.519	53%	0.526	S	S	.	.	H	α-helix	trans	-70.1	-42.9	174.4	-77.8	-177.2	0.4	0	0	111	Q272 L273 A278 K279 V280	Q272-Q276 WeakPolarHBondContact O-CB 3.43Å; Q272-Q276 WeakPolarHBondContact O-CG 3.49Å; Q272-Q276 PolarHBondContact O-N 3.2Å; L273-Q276 PolarHBondContact O-N 2.93Å; Q276-A278 PolarHBondContact O-N 3.5Å; Q276-K279 CarbonylContact O-C 3.52Å; Q276-K279 PolarHBondContact O-N 3.08Å; Q276-K279 VanDerWaalsContact O-N 3.13Å; Q276-V280 WeakPolarHBondContact O-CG2 3.37Å; Q276-V280 PolarHBondContact O-N 3.4Å
277	R	36.5	Very low	39.2	Very low	174 Å²	174	104.4 Å²	104.4	66%	0.657	52%	0.519	S	S	*	.	H	α-helix	trans	-59.2	-47.7	175.5	-176.4	173.2	-178.9	152.4	4	111.8	L273 Q274 K279 V280 E281	L273-R277 WeakPolarHBondContact O-CB 3.48Å; L273-R277 PolarHBondContact O-N 2.72Å; Q274-R277 PolarHBondContact O-N 3.33Å; R277-K279 VanDerWaalsContact C-N 3.27Å; R277-K279 PolarHBondContact O-N 3.5Å; R277-V280 PolarHBondContact O-N 3.05Å; R277-V280 VanDerWaalsContact O-N 3.11Å; R277-E281 WeakPolarHBondContact CG-OE1 3.46Å; R277-E281 IonicContact NE-OE1 3.06Å; R277-E281 PolarHBondContact NE-OE1 3.3Å; R277-E281 WeakPolarHBondContact O-CG 3.39Å; R277-E281 PolarHBondContact O-N 3.44Å
278	A	37.8	Very low	39	Very low	57 Å²	57	103 Å²	103	47%	0.471	52%	0.516	S	S	.	.	H	α-helix	trans	-57.2	-38.9	174.3	0	0	0	0	0	112.5	Q274 Q276 E282	Q274-A278 PolarHBondContact O-N 2.93Å; Q276-A278 PolarHBondContact O-N 3.5Å; A278-E282 PolarHBondContact O-N 3.03Å
279	K	36.8	Very low	38.4	Very low	127 Å²	127	107.9 Å²	107.9	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-71.1	-38.6	173.6	-76.7	-176.7	173.1	-170.7	0	113.4	R275 Q276 R277 E281 E282 F283	R275-K279 WeakPolarHBondContact O-CG 3.41Å; R275-K279 PolarHBondContact O-N 3Å; Q276-K279 CarbonylContact O-C 3.52Å; Q276-K279 PolarHBondContact O-N 3.08Å; Q276-K279 VanDerWaalsContact O-N 3.13Å; R277-K279 VanDerWaalsContact C-N 3.27Å; R277-K279 PolarHBondContact O-N 3.5Å; K279-E281 VanDerWaalsContact C-N 3.28Å; K279-E281 PolarHBondContact O-N 2.83Å; K279-E282 PolarHBondContact O-N 3.45Å; K279-E282 VanDerWaalsContact O-N 3.16Å; K279-F283 HydrophobicContact CB-CD2 4.36Å; K279-F283 WeakPolarHBondContact O-CB 3.32Å; K279-F283 WeakPolarHBondContact O-CD2 3.46Å; K279-F283 PolarHBondContact O-N 3.05Å
280	V	34.8	Very low	37.8	Very low	86 Å²	86	113.9 Å²	113.9	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-64.2	-36.4	178	168.8	0	0	0	0	110.5	Q276 R277 E282 F283 T284	Q276-V280 WeakPolarHBondContact O-CG2 3.37Å; Q276-V280 PolarHBondContact O-N 3.4Å; R277-V280 PolarHBondContact O-N 3.05Å; R277-V280 VanDerWaalsContact O-N 3.11Å; V280-E282 VanDerWaalsContact C-N 3.32Å; V280-E282 PolarHBondContact O-N 3.13Å; V280-F283 PolarHBondContact O-N 3.34Å; V280-F283 VanDerWaalsContact O-N 3.15Å; V280-T284 HydrophobicContact CG1-CG2 4.4Å; V280-T284 PolarHBondContact O-N 2.9Å; V280-T284 PolarHBondContact O-OG1 3.17Å
281	E	37.4	Very low	37.5	Very low	119 Å²	119	115.5 Å²	115.5	56%	0.556	55%	0.55	S	S	*	.	H	α-helix	trans	-65.2	-30.8	173.8	-70.7	169.7	-163.1	0	0	112.6	R277 K279 T284	R277-E281 WeakPolarHBondContact CG-OE1 3.46Å; R277-E281 IonicContact NE-OE1 3.06Å; R277-E281 PolarHBondContact NE-OE1 3.3Å; R277-E281 WeakPolarHBondContact O-CG 3.39Å; R277-E281 PolarHBondContact O-N 3.44Å; K279-E281 VanDerWaalsContact C-N 3.28Å; K279-E281 PolarHBondContact O-N 2.83Å; E281-T284 PolarHBondContact O-OG1 3.06Å
282	E	36.9	Very low	37.4	Very low	124 Å²	124	117.8 Å²	117.8	58%	0.579	56%	0.562	S	S	*	*	H	α-helix	trans	-73	-41.8	166.1	-68.5	-167.8	111.2	0	0	112.6	A278 K279 V280 H285	A278-E282 PolarHBondContact O-N 3.03Å; K279-E282 PolarHBondContact O-N 3.45Å; K279-E282 VanDerWaalsContact O-N 3.16Å; V280-E282 VanDerWaalsContact C-N 3.32Å; V280-E282 PolarHBondContact O-N 3.13Å; E282-H285 PolarHBondContact O-N 3.37Å
283	F	30.2	Very low	36.6	Very low	126 Å²	126	116.3 Å²	116.3	55%	0.553	56%	0.563	S	S	*	*	H	α-helix	trans	-77.1	-23.8	-173.2	-84.9	-67.7	0	0	0	114.7	K279 V280 H285 L286 G287	K279-F283 HydrophobicContact CB-CD2 4.36Å; K279-F283 WeakPolarHBondContact O-CB 3.32Å; K279-F283 WeakPolarHBondContact O-CD2 3.46Å; K279-F283 PolarHBondContact O-N 3.05Å; V280-F283 PolarHBondContact O-N 3.34Å; V280-F283 VanDerWaalsContact O-N 3.15Å; F283-H285 PolarHBondContact O-N 2.9Å; F283-L286 HydrophobicContact CD1-CB 4.21Å; F283-L286 HydrophobicContact CD1-CD2 3.78Å; F283-L286 HydrophobicContact CE1-CD2 3.73Å; F283-L286 CarbonylContact O-C 3.6Å; F283-L286 WeakPolarHBondContact O-CA 3.1Å; F283-L286 WeakPolarHBondContact O-CB 3.2Å; F283-L286 PolarHBondContact O-N 3.48Å; F283-G287 PolarHBondContact O-N 3.38Å
284	T	37.3	Very low	36	Very low	80 Å²	80	113.5 Å²	113.5	49%	0.491	55%	0.55	S	S	.	*	H	α-helix	trans	-57.9	-38.4	171.8	39.2	0	0	0	0	111.4	V280 E281 L286 G287 N288	V280-T284 HydrophobicContact CG1-CG2 4.4Å; V280-T284 PolarHBondContact O-N 2.9Å; V280-T284 PolarHBondContact O-OG1 3.17Å; E281-T284 PolarHBondContact O-OG1 3.06Å; T284-L286 VanDerWaalsContact C-N 3.26Å; T284-L286 PolarHBondContact O-N 2.95Å; T284-G287 PolarHBondContact O-N 2.92Å; T284-N288 PolarHBondContact O-N 3.26Å
285	H	40.2	Very low	35.7	Very low	142 Å²	142	112.6 Å²	112.6	66%	0.657	55%	0.546	S	S	*	.	H	α-helix	trans	-68.7	-24.6	176.3	-132.6	-43.4	0	0	0	113.4	E282 F283	E282-H285 PolarHBondContact O-N 3.37Å; F283-H285 PolarHBondContact O-N 2.9Å
286	L	31.4	Very low	35.6	Very low	102 Å²	102	107.2 Å²	107.2	53%	0.534	54%	0.535	S	S	.	.	H	α-helix	trans	-87.1	-37	176.6	-157.1	75.9	0	0	0	112.2	F283 T284 R289 Y290	F283-L286 HydrophobicContact CD1-CB 4.21Å; F283-L286 HydrophobicContact CD1-CD2 3.78Å; F283-L286 HydrophobicContact CE1-CD2 3.73Å; F283-L286 CarbonylContact O-C 3.6Å; F283-L286 WeakPolarHBondContact O-CA 3.1Å; F283-L286 WeakPolarHBondContact O-CB 3.2Å; F283-L286 PolarHBondContact O-N 3.48Å; T284-L286 VanDerWaalsContact C-N 3.26Å; T284-L286 PolarHBondContact O-N 2.95Å; L286-R289 CarbonylContact O-C 3.34Å; L286-R289 PolarHBondContact O-N 3.45Å; L286-Y290 PolarHBondContact O-N 3.42Å
287	G	30.4	Very low	34.9	Very low	33 Å²	33	105.8 Å²	105.8	34%	0.34	54%	0.536	S	S	.	.	H	α-helix	trans	-62	-48.1	176	0	0	0	0	0	112	F283 T284 R289 Y290 M291	F283-G287 PolarHBondContact O-N 3.38Å; T284-G287 PolarHBondContact O-N 2.92Å; G287-R289 VanDerWaalsContact C-N 3.29Å; G287-R289 PolarHBondContact O-N 3.27Å; G287-Y290 WeakPolarHBondContact O-CB 3.38Å; G287-Y290 PolarHBondContact O-N 3.18Å; G287-M291 PolarHBondContact O-N 2.88Å
288	N	39.1	Very low	34.7	Very low	111 Å²	111	105.2 Å²	105.2	59%	0.594	54%	0.541	S	S	*	.	H	α-helix	trans	-61.6	-38.6	174.8	-67.6	8.1	0	0	0	111.3	T284 M291 N292	T284-N288 PolarHBondContact O-N 3.26Å; N288-M291 PolarHBondContact O-N 2.82Å; N288-N292 WeakPolarHBondContact O-CB 3.33Å; N288-N292 VanDerWaalsContact O-CG 3.3Å; N288-N292 PolarHBondContact O-N 3.41Å; N288-N292 PolarHBondContact O-OD1 2.75Å
289	R	37.4	Very low	34.6	Very low	188 Å²	188	110 Å²	110	71%	0.709	55%	0.551	S	S	*	*	H	α-helix	trans	-67.3	-32.8	172.6	-86.4	-171.4	171.7	-170.3	-1	113.5	L286 G287 C293	L286-R289 CarbonylContact O-C 3.34Å; L286-R289 PolarHBondContact O-N 3.45Å; G287-R289 VanDerWaalsContact C-N 3.29Å; G287-R289 PolarHBondContact O-N 3.27Å; R289-C293 WeakPolarHBondContact O-CB 3.47Å; R289-C293 PolarHBondContact O-N 3.42Å
290	Y	28.4	Very low	34.4	Very low	169 Å²	169	112.2 Å²	112.2	66%	0.663	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-46	175.9	-171.2	-93.7	0	0	0	110.9	L286 G287 C293 T294	L286-Y290 PolarHBondContact O-N 3.42Å; G287-Y290 WeakPolarHBondContact O-CB 3.38Å; G287-Y290 PolarHBondContact O-N 3.18Å; Y290-C293 WeakPolarHBondContact O-CB 3.49Å; Y290-C293 PolarHBondContact O-N 2.98Å; Y290-T294 HydrophobicContact CD1-CG2 4.22Å; Y290-T294 HydrophobicContact CE1-CG2 3.81Å; Y290-T294 PolarHBondContact O-N 2.6Å; Y290-T294 PolarHBondContact O-OG1 3.31Å
291	M	33.2	Very low	34	Very low	120 Å²	120	116.6 Å²	116.6	59%	0.591	58%	0.576	S	S	*	*	H	α-helix	trans	-59.9	-48.9	174.9	-67.6	-63	-70.1	0	0	112	G287 N288 C293 T294 E295	G287-M291 PolarHBondContact O-N 2.88Å; N288-M291 PolarHBondContact O-N 2.82Å; M291-C293 PolarHBondContact O-N 3.31Å; M291-T294 WeakPolarHBondContact CA-OG1 3.46Å; M291-T294 PolarHBondContact O-N 2.92Å; M291-T294 PolarHBondContact O-OG1 3.38Å; M291-E295 PolarHBondContact O-N 3.16Å
292	N	43	Very low	33.5	Very low	115 Å²	115	121.4 Å²	121.4	62%	0.615	59%	0.589	S	S	*	*	H	α-helix	trans	-64.5	-29	177.3	-67	26.2	0	0	0	111.8	N288 A296	N288-N292 WeakPolarHBondContact O-CB 3.33Å; N288-N292 VanDerWaalsContact O-CG 3.3Å; N288-N292 PolarHBondContact O-N 3.41Å; N288-N292 PolarHBondContact O-OD1 2.75Å; N292-A296 WeakPolarHBondContact O-CB 3.45Å; N292-A296 PolarHBondContact O-N 2.8Å
293	C	28.8	Very low	33.1	Very low	74 Å²	74	122.6 Å²	122.6	50%	0.5	60%	0.604	S	S	.	*	H	α-helix	trans	-74.4	-39.7	175.2	-165.1	0	0	0	0	112.3	R289 Y290 M291 A296 C297	R289-C293 WeakPolarHBondContact O-CB 3.47Å; R289-C293 PolarHBondContact O-N 3.42Å; Y290-C293 WeakPolarHBondContact O-CB 3.49Å; Y290-C293 PolarHBondContact O-N 2.98Å; M291-C293 PolarHBondContact O-N 3.31Å; C293-A296 PolarHBondContact O-N 2.91Å; C293-C297 WeakPolarHBondContact O-CB 3.43Å; C293-C297 PolarHBondContact O-N 3.22Å
294	T	28.8	Very low	32.8	Very low	50 Å²	50	121.6 Å²	121.6	31%	0.307	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-40.5	174.4	48.9	0	0	0	0	111.6	Y290 M291 C297 Q298	Y290-T294 HydrophobicContact CD1-CG2 4.22Å; Y290-T294 HydrophobicContact CE1-CG2 3.81Å; Y290-T294 PolarHBondContact O-N 2.6Å; Y290-T294 PolarHBondContact O-OG1 3.31Å; M291-T294 WeakPolarHBondContact CA-OG1 3.46Å; M291-T294 PolarHBondContact O-N 2.92Å; M291-T294 PolarHBondContact O-OG1 3.38Å; T294-C297 PolarHBondContact O-N 3.05Å; T294-Q298 WeakPolarHBondContact O-CG 3.35Å; T294-Q298 PolarHBondContact O-N 3.45Å
295	E	36.4	Very low	32.1	Very low	101 Å²	101	122.7 Å²	122.7	47%	0.472	62%	0.624	S	S	.	*	H	α-helix	trans	-60.2	-47.9	170	-76.3	-140.9	156.4	0	0	112.5	M291 C297 Q298 K299	M291-E295 PolarHBondContact O-N 3.16Å; E295-C297 VanDerWaalsContact C-N 3.28Å; E295-C297 PolarHBondContact O-N 3.4Å; E295-Q298 PolarHBondContact O-N 2.86Å; E295-K299 WeakPolarHBondContact O-CB 3.2Å; E295-K299 WeakPolarHBondContact O-CG 3.38Å; E295-K299 PolarHBondContact O-N 3.23Å; E295-K299 IonicContact OE2-NZ 2.65Å; E295-K299 PolarHBondContact OE2-NZ 2.98Å
296	A	39.8	Very low	31.3	Very low	42 Å²	42	124.1 Å²	124.1	35%	0.347	64%	0.635	S	S	.	*	H	α-helix	trans	-63.2	-34.1	179.2	0	0	0	0	0	112.3	N292 C293 K300	N292-A296 WeakPolarHBondContact O-CB 3.45Å; N292-A296 PolarHBondContact O-N 2.8Å; C293-A296 PolarHBondContact O-N 2.91Å; A296-K300 VanDerWaalsContact O-CB 3.28Å; A296-K300 WeakPolarHBondContact O-CB 3.16Å; A296-K300 VanDerWaalsContact O-CG 3.26Å; A296-K300 WeakPolarHBondContact O-CG 3.24Å; A296-K300 PolarHBondContact O-N 3.46Å; A296-K300 VanDerWaalsContact O-N 3.16Å
297	C	29.3	Very low	30.9	Very low	82 Å²	82	124.5 Å²	124.5	55%	0.554	64%	0.643	S	S	*	*	H	α-helix	trans	-68.8	-42.8	172.6	-83.5	0	0	0	0	112.5	C293 T294 E295 K300	C293-C297 WeakPolarHBondContact O-CB 3.43Å; C293-C297 PolarHBondContact O-N 3.22Å; T294-C297 PolarHBondContact O-N 3.05Å; E295-C297 VanDerWaalsContact C-N 3.28Å; E295-C297 PolarHBondContact O-N 3.4Å; C297-K300 PolarHBondContact O-N 3.46Å
298	Q	31.2	Very low	30.4	Very low	161 Å²	161	131 Å²	131	75%	0.752	67%	0.669	S	S	*	*	H	α-helix	trans	-66.4	-43.9	176.5	-73.2	-176.9	-3.3	0	0	111.8	T294 E295 K300 Q301	T294-Q298 WeakPolarHBondContact O-CG 3.35Å; T294-Q298 PolarHBondContact O-N 3.45Å; E295-Q298 PolarHBondContact O-N 2.86Å; Q298-K300 PolarHBondContact O-N 3.46Å; Q298-Q301 PolarHBondContact O-N 2.96Å
299	K	36.2	Very low	29.6	Very low	157 Å²	157	133.4 Å²	133.4	68%	0.683	68%	0.682	S	S	*	*	H	α-helix	trans	-64.8	-24.3	176.7	-73.1	167.8	177.8	162.2	0	112.9	E295	E295-K299 WeakPolarHBondContact O-CB 3.2Å; E295-K299 WeakPolarHBondContact O-CG 3.38Å; E295-K299 PolarHBondContact O-N 3.23Å; E295-K299 IonicContact OE2-NZ 2.65Å; E295-K299 PolarHBondContact OE2-NZ 2.98Å
300	K	31.9	Very low	29.1	Very low	174 Å²	174	132.3 Å²	132.3	76%	0.757	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	3.9	-179.9	-78.4	-179.5	175.8	179.2	0	116.4	A296 C297 Q298 R302	A296-K300 VanDerWaalsContact O-CB 3.28Å; A296-K300 WeakPolarHBondContact O-CB 3.16Å; A296-K300 VanDerWaalsContact O-CG 3.26Å; A296-K300 WeakPolarHBondContact O-CG 3.24Å; A296-K300 PolarHBondContact O-N 3.46Å; A296-K300 VanDerWaalsContact O-N 3.16Å; C297-K300 PolarHBondContact O-N 3.46Å; Q298-K300 PolarHBondContact O-N 3.46Å; K300-R302 VanDerWaalsContact C-N 3.29Å; K300-R302 PolarHBondContact O-N 3.48Å
301	Q	26.5	Very low	28.9	Very low	178 Å²	178	131.1 Å²	131.1	83%	0.832	69%	0.694	S	S	*	*	S	Bend	trans	-84.3	13.9	176.7	-100.5	-167.6	0.4	0	0	115.3	Q298	Q298-Q301 PolarHBondContact O-N 2.96Å
302	R	26.7	Very low	28.5	Very low	221 Å²	221	131.9 Å²	131.9	83%	0.834	70%	0.7	S	S	*	*	S	Bend	trans	-133.6	157.5	176.8	-68.8	-173.1	176.6	-179.5	0.2	112.8	K300	K300-R302 VanDerWaalsContact C-N 3.29Å; K300-R302 PolarHBondContact O-N 3.48Å
303	T	28.9	Very low	27.7	Very low	148 Å²	148	131.5 Å²	131.5	91%	0.908	70%	0.702	S	S	*	*			trans	62.6	101.4	179.1	53.9	0	0	0	0	116.8
304	S	23.8	Very low	27.7	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	71%	0.709	S	S	*	*			trans	-81.7	143	166.2	51.2	0	0	0	0	112.4
305	S	22.3	Very low	27.6	Very low	103 Å²	103	135.7 Å²	135.7	72%	0.72	72%	0.724	S	S	*	*			trans	43.5	113.7	145.7	62.9	0	0	0	0	120.6
306	I	23.3	Very low	26.9	Very low	172 Å²	172	138.2 Å²	138.2	88%	0.882	74%	0.738	S	S	*	*			trans	-154.5	132.3	130.6	-93.5	139.1	0	0	0	107.4
307	P	23.2	Very low	26.3	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	76%	0.756	S	S	*	*			trans	-106.4	143.3	-176.5	37.3	-31.7	0	0	0	115.1
308	L	20.7	Very low	26.2	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	76%	0.76	S	S	*	*			trans	55.4	143.7	154.3	-96.7	80.3	0	0	0	122.4
309	L	22.1	Very low	25.9	Very low	162 Å²	162	146.3 Å²	146.3	85%	0.848	76%	0.763	S	S	*	*			trans	76.2	69.9	149.4	-157.6	79.7	0	0	0	118.8
310	D	26.8	Very low	25.3	Very low	164 Å²	164	146.2 Å²	146.2	88%	0.877	77%	0.769	S	S	*	*			trans	-150.3	66.2	147.8	-138.3	-16.5	0	0	0	113.4
311	L	23.1	Very low	25	Very low	145 Å²	145	141.8 Å²	141.8	76%	0.759	77%	0.765	S	S	*	*			trans	-148.1	90.5	175.1	-172.9	75.1	0	0	0	111.6
312	N	25.4	Very low	24.9	Very low	135 Å²	135	144.6 Å²	144.6	72%	0.722	77%	0.768	S	S	*	*	S	Bend	trans	-176.6	-27.3	146.9	-105.4	-38.9	0	0	0	114.5
313	T	26.9	Very low	24.8	Very low	107 Å²	107	141.2 Å²	141.2	66%	0.656	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-18.9	-158.5	-32.6	0	0	0	0	116.1
314	S	28.5	Very low	24.7	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-35.3	-169.1	-164.2	0	0	0	0	115	T318	S314-T318 PolarHBondContact O-OG1 3.27Å; S314-T318 VanDerWaalsContact O-OG1 3.07Å
315	I	25.8	Very low	24.9	Very low	119 Å²	119	143.1 Å²	143.1	61%	0.61	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-77.3	-42.9	-171.6	-61.8	175	0	0	0	111.4	R317 T318	I315-R317 PolarHBondContact O-N 2.98Å; I315-T318 PolarHBondContact O-N 3.06Å
316	M	23.7	Very low	25.1	Very low	154 Å²	154	145.3 Å²	145.3	76%	0.759	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-76.1	10.8	-171.8	-70.7	-67.7	-80.5	0	0	116
317	R	26.6	Very low	25.4	Very low	196 Å²	196	144.5 Å²	144.5	74%	0.74	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-123.7	-13	175.6	-67	-171	-171.7	160.5	5.4	115.2	I315	I315-R317 PolarHBondContact O-N 2.98Å
318	T	26.8	Very low	25.5	Very low	103 Å²	103	149.6 Å²	149.6	63%	0.632	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-8.6	-165.2	-35.3	0	0	0	0	113.1	S314 I315	S314-T318 PolarHBondContact O-OG1 3.27Å; S314-T318 VanDerWaalsContact O-OG1 3.07Å; I315-T318 PolarHBondContact O-N 3.06Å
319	L	25.6	Very low	26	Very low	157 Å²	157	147.7 Å²	147.7	82%	0.822	76%	0.763	S	S	*	*	S	Bend	trans	-104.2	15.3	172.2	-67.1	173	0	0	0	113.1
320	L	23	Very low	26.2	Very low	154 Å²	154	144.1 Å²	144.1	81%	0.806	76%	0.757	S	S	*	*			trans	-106.4	76.7	164.8	-75.6	171.8	0	0	0	109
321	A	25.2	Very low	26.1	Very low	81 Å²	81	142.3 Å²	142.3	67%	0.669	75%	0.747	S	S	*	*			trans	-153.5	123.3	176.7	0	0	0	0	0	111.5
322	R	24.8	Very low	26.3	Very low	237 Å²	237	143.7 Å²	143.7	89%	0.894	75%	0.75	S	S	*	*			trans	67.4	113.8	-176.7	-65.7	177.1	169.3	138	-2.4	112.9
323	D	25.4	Very low	26.4	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	76%	0.757	S	S	*	*			cis	60.1	141	36.3	-65.2	-42.6	0	0	0	115.8
324	T	26.4	Very low	26.4	Very low	124 Å²	124	145.2 Å²	145.2	76%	0.761	76%	0.76	S	S	*	*			trans	68.3	97.9	174.5	62.2	0	0	0	0	117.6
325	L	27.3	Very low	26.3	Very low	168 Å²	168	151 Å²	151	88%	0.88	77%	0.767	S	S	*	*				-156	137.5	105.4	-133.7	76.2	0	0	0	110.9
326	D	26.8	Very low	26.3	Very low	150 Å²	150	151.4 Å²	151.4	80%	0.802	77%	0.771	S	S	*	*			trans	-74.5	138.4	174.2	-61.5	-91.8	0	0	0	111.8
327	N	28.9	Very low	26.5	Very low	155 Å²	155	154.3 Å²	154.3	83%	0.829	77%	0.773	S	S	*	*			trans	-153	126.7	148.4	-104	-24.4	0	0	0	108.1
328	R	26	Very low	26.4	Very low	217 Å²	217	154 Å²	154	82%	0.819	78%	0.78	S	S	*	*			trans	-98	-9.2	-156.5	-159	166.6	-179.7	152.8	-1.5	114.3
329	D	30.2	Very low	26.5	Very low	129 Å²	129	156.1 Å²	156.1	69%	0.69	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-93	-10.4	-158.5	-49.2	-23.3	0	0	0	113.3	L331	D329-L331 PolarHBondContact O-N 3.3Å
330	A	28.2	Very low	26.5	Very low	87 Å²	87	153.6 Å²	153.6	72%	0.719	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-78.9	-1.1	174.5	0	0	0	0	0	114
331	L	24.3	Very low	26.7	Very low	127 Å²	127	153.1 Å²	153.1	67%	0.665	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-103.5	-5.5	-173.6	-113.7	164.1	0	0	0	114.3	D329	D329-L331 PolarHBondContact O-N 3.3Å
332	E	27.3	Very low	26.8	Very low	173 Å²	173	154.6 Å²	154.6	81%	0.808	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-29.1	177.5	-63.2	-162.5	143.8	0	0	113.1
333	E	27.8	Very low	26.8	Very low	188 Å²	188	149.6 Å²	149.6	88%	0.879	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-20.2	173.5	-66.9	-166.2	135.1	0	0	113.6
334	A	26.5	Very low	26.8	Very low	86 Å²	86	149.6 Å²	149.6	71%	0.711	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	9.1	-172.9	0	0	0	0	0	115
335	R	25.4	Very low	26.6	Very low	216 Å²	216	149.8 Å²	149.8	82%	0.815	76%	0.763	S	S	*	*	S	Bend	trans	-120.7	-4.1	-167.4	-155.3	167.1	-174.1	171.5	4.2	116.6
336	D	26.5	Very low	26.5	Very low	127 Å²	127	144.9 Å²	144.9	68%	0.679	74%	0.743	S	S	*	*	S	Bend	trans	-106.4	108	178.8	-123.3	-35.9	0	0	0	111.2
337	R	27.1	Very low	26.4	Very low	215 Å²	215	144 Å²	144	81%	0.811	74%	0.737	S	S	*	*			trans	79	65.1	158.4	-50.7	168.9	-158.7	-174.6	4	119
338	E	26.1	Very low	26.2	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	73%	0.729	S	S	*	*				-68.9	129.6	126.6	-64	-173.4	127.5	0	0	108.5
339	D	28	Very low	26.1	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	73%	0.728	S	S	*	*			trans	176.7	-26.4	152.1	-108.3	-23.5	0	0	0	114	N341	D339-N341 VanDerWaalsContact C-N 3.32Å; D339-N341 PolarHBondContact O-N 2.92Å; D339-N341 VanDerWaalsContact O-N 3.11Å
340	S	26.2	Very low	25.7	Very low	105 Å²	105	142 Å²	142	73%	0.734	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-14.8	-163	-165.2	0	0	0	0	116.9
341	N	26.3	Very low	25.4	Very low	143 Å²	143	143 Å²	143	77%	0.765	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-11.4	-168.7	-74	-10.2	0	0	0	115.1	D339	D339-N341 VanDerWaalsContact C-N 3.32Å; D339-N341 PolarHBondContact O-N 2.92Å; D339-N341 VanDerWaalsContact O-N 3.11Å
342	V	27	Very low	25.3	Very low	113 Å²	113	145 Å²	145	69%	0.685	74%	0.742	S	S	*	*	S	Bend	trans	-76.2	-29.6	-179.5	-177.6	0	0	0	0	111.7	H344 L345	V342-H344 VanDerWaalsContact C-N 3.31Å; V342-H344 PolarHBondContact O-N 3.32Å; V342-L345 PolarHBondContact O-N 2.96Å
343	L	24.9	Very low	25.2	Very low	131 Å²	131	146.8 Å²	146.8	69%	0.686	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-21.1	-171.9	-156.7	71.5	0	0	0	114.6	S346	L343-S346 PolarHBondContact O-OG 3.48Å
344	H	24.9	Very low	24.9	Very low	152 Å²	152	147.2 Å²	147.2	70%	0.704	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-19.7	177.8	-96	-54.8	0	0	0	114.4	V342	V342-H344 VanDerWaalsContact C-N 3.31Å; V342-H344 PolarHBondContact O-N 3.32Å
345	L	23.3	Very low	24.7	Very low	127 Å²	127	149.1 Å²	149.1	67%	0.665	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-25.8	178	-89.2	159.4	0	0	0	113.2	V342	V342-L345 PolarHBondContact O-N 2.96Å
346	S	24.7	Very low	24.7	Very low	66 Å²	66	146.5 Å²	146.5	46%	0.462	75%	0.752	S	S	.	*	S	Bend	trans	-71.7	-27.2	177.2	53.2	0	0	0	0	114	L343	L343-S346 PolarHBondContact O-OG 3.48Å
347	L	24.1	Very low	24.8	Very low	130 Å²	130	142.6 Å²	142.6	68%	0.681	74%	0.741	S	S	*	*	S	Bend	trans	-79.4	-18.2	-176.1	-83.9	165.3	0	0	0	114.5
348	I	25.2	Very low	24.8	Very low	131 Å²	131	141.7 Å²	141.7	67%	0.672	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-16.3	-179.8	-63.6	177.3	0	0	0	111.8
349	L	23.5	Very low	25.1	Very low	151 Å²	151	140 Å²	140	79%	0.791	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	13	-172.7	-72.1	171	0	0	0	115.3
350	Q	22.6	Very low	25.1	Very low	179 Å²	179	142.4 Å²	142.4	84%	0.836	74%	0.738	S	S	*	*	S	Bend	trans	-119.4	-1.2	179.5	-76	-161.6	-22.7	0	0	116.7	Q352	Q350-Q352 PolarHBondContact O-N 2.81Å
351	S	22	Very low	25.3	Very low	107 Å²	107	146.2 Å²	146.2	75%	0.748	74%	0.738	S	S	*	*			trans	-91.3	91.8	169	58.7	0	0	0	0	111.5
352	Q	22.6	Very low	25.5	Very low	169 Å²	169	146 Å²	146	79%	0.79	74%	0.736	S	S	*	*			trans	-67	173.8	159.4	-69	-179.7	-25.4	0	0	110.7	Q350	Q350-Q352 PolarHBondContact O-N 2.81Å
353	Y	23.5	Very low	25.6	Very low	211 Å²	211	145 Å²	145	83%	0.827	73%	0.726	S	S	*	*			trans	73.6	95.7	-175.8	-56.5	-86	0	0	0	116.1
354	F	23.4	Very low	26.2	Very low	196 Å²	196	142.6 Å²	142.6	86%	0.86	71%	0.711	S	S	*	*				-163.4	88.4	104.2	-111.8	-73.3	0	0	0	111.4
355	C	20.9	Very low	26.7	Very low	127 Å²	127	141.1 Å²	141.1	86%	0.858	70%	0.704	S	S	*	*			trans	-101.3	83.4	164	-72.2	0	0	0	0	109.2
356	D	26.8	Very low	27.2	Very low	161 Å²	161	136.2 Å²	136.2	86%	0.861	68%	0.682	S	S	*	*			trans	-178	148.2	147.6	-100.6	-28.4	0	0	0	110.8
357	G	26.9	Very low	27.8	Very low	44 Å²	44	137.5 Å²	137.5	45%	0.454	68%	0.681	S	S	.	*			trans	135.7	40.5	177	0	0	0	0	0	117.2	D359 R360	G357-D359 PolarHBondContact O-N 3.38Å; G357-D359 VanDerWaalsContact O-N 3.16Å; G357-R360 PolarHBondContact O-N 2.9Å; G357-R360 VanDerWaalsContact O-N 3.09Å
358	K	28.3	Very low	28.6	Very low	196 Å²	196	136.1 Å²	136.1	85%	0.852	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-56.1	-29.7	176.7	-80	-179	176.4	172.1	0	113.6	R360 Y361	K358-R360 PolarHBondContact O-N 2.86Å; K358-Y361 PolarHBondContact O-N 3.14Å
359	D	32.2	Very low	29.1	Very low	153 Å²	153	135.7 Å²	135.7	82%	0.818	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-70.9	-9.1	-179.8	-54	-42.1	0	0	0	114	G357	G357-D359 PolarHBondContact O-N 3.38Å; G357-D359 VanDerWaalsContact O-N 3.16Å
360	R	27	Very low	29.7	Very low	198 Å²	198	130.1 Å²	130.1	75%	0.747	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-87.6	-13	174.5	-74.2	-170.4	175	-175	-1.7	114.6	G357 K358 L363 H364	G357-R360 PolarHBondContact O-N 2.9Å; G357-R360 VanDerWaalsContact O-N 3.09Å; K358-R360 PolarHBondContact O-N 2.86Å; R360-L363 PolarHBondContact O-N 2.94Å; R360-H364 VanDerWaalsContact O-CB 3.29Å; R360-H364 WeakPolarHBondContact O-CB 3.24Å; R360-H364 PolarHBondContact O-N 2.77Å
361	Y	31.4	Very low	30.7	Very low	186 Å²	186	127.8 Å²	127.8	73%	0.729	63%	0.628	S	S	*	*	H	α-helix	trans	-67.6	-42.6	-173.2	-136.7	-82.3	0	0	0	112.6	K358 H364 E365	K358-Y361 PolarHBondContact O-N 3.14Å; Y361-H364 PolarHBondContact O-N 3.3Å; Y361-E365 PolarHBondContact O-N 3.48Å; Y361-E365 VanDerWaalsContact O-N 3.08Å
362	L	29.9	Very low	31.6	Very low	139 Å²	139	133.3 Å²	133.3	73%	0.728	63%	0.632	S	S	*	*	H	α-helix	trans	-69.3	-34.4	173.3	-78.3	167	0	0	0	112.6	A366	L362-A366 PolarHBondContact O-N 3.31Å; L362-A366 VanDerWaalsContact O-N 3.09Å
363	L	30.2	Very low	32.5	Very low	90 Å²	90	127.4 Å²	127.4	47%	0.471	61%	0.609	S	S	.	*	H	α-helix	trans	-65.8	-43	175.5	-135.5	89	0	0	0	111	R360 A366 E367	R360-L363 PolarHBondContact O-N 2.94Å; L363-A366 CarbonylContact O-C 3.56Å; L363-A366 WeakPolarHBondContact O-CB 3.4Å; L363-A366 PolarHBondContact O-N 3.39Å; L363-E367 WeakPolarHBondContact O-CG 3.38Å; L363-E367 PolarHBondContact O-N 3.47Å
364	H	36.8	Very low	33.9	Very low	82 Å²	82	125 Å²	125	38%	0.38	61%	0.606	S	S	.	*	H	α-helix	trans	-74.7	-25.1	-177.9	-167.4	50.4	0	0	0	113.1	R360 Y361 E367 K368	R360-H364 VanDerWaalsContact O-CB 3.29Å; R360-H364 WeakPolarHBondContact O-CB 3.24Å; R360-H364 PolarHBondContact O-N 2.77Å; Y361-H364 PolarHBondContact O-N 3.3Å; H364-E367 WeakPolarHBondContact CA-OE2 3.43Å; H364-E367 IonicContact CE1-OE2 2.67Å; H364-E367 IonicContact CG-OE2 2.63Å; H364-E367 IonicContact ND1-OE2 4Å; H364-E367 PolarHBondContact ND1-OE2 3.19Å; H364-K368 VanDerWaalsContact NE2-CE 3.3Å; H364-K368 WeakPolarHBondContact NE2-CE 3.31Å; H364-K368 PolarHBondContact NE2-NZ 2.99Å; H364-K368 VanDerWaalsContact NE2-NZ 3.18Å; H364-K368 WeakPolarHBondContact O-CB 3.49Å; H364-K368 WeakPolarHBondContact O-CG 3.46Å; H364-K368 PolarHBondContact O-N 2.81Å
365	E	35.9	Very low	35.6	Very low	120 Å²	120	116.7 Å²	116.7	56%	0.561	57%	0.571	S	S	*	*	H	α-helix	trans	-76.8	-29.1	169.4	-159.9	150.9	-123.6	0	0	111.9	Y361 L369	Y361-E365 PolarHBondContact O-N 3.48Å; Y361-E365 VanDerWaalsContact O-N 3.08Å; E365-L369 PolarHBondContact O-N 3.22Å
366	A	33.3	Very low	37.2	Very low	25 Å²	25	117 Å²	117	21%	0.207	56%	0.555	C	S	.	*	H	α-helix	trans	-70.3	-39.2	166.5	0	0	0	0	0	112.5	L362 L363 K368 L369 L370	L362-A366 PolarHBondContact O-N 3.31Å; L362-A366 VanDerWaalsContact O-N 3.09Å; L363-A366 CarbonylContact O-C 3.56Å; L363-A366 WeakPolarHBondContact O-CB 3.4Å; L363-A366 PolarHBondContact O-N 3.39Å; A366-K368 VanDerWaalsContact C-N 3.35Å; A366-K368 PolarHBondContact O-N 2.99Å; A366-L369 WeakPolarHBondContact O-CB 3.23Å; A366-L369 PolarHBondContact O-N 3.5Å; A366-L370 WeakPolarHBondContact O-CG 3.44Å; A366-L370 PolarHBondContact O-N 2.67Å
367	E	37.8	Very low	38.8	Very low	93 Å²	93	113 Å²	113	44%	0.435	54%	0.539	S	S	.	.	H	α-helix	trans	-58.8	-44.3	170	-71.9	170.4	164.1	0	0	111.1	L363 H364 L369 L370 E371	L363-E367 WeakPolarHBondContact O-CG 3.38Å; L363-E367 PolarHBondContact O-N 3.47Å; H364-E367 WeakPolarHBondContact CA-OE2 3.43Å; H364-E367 IonicContact CE1-OE2 2.67Å; H364-E367 IonicContact CG-OE2 2.63Å; H364-E367 IonicContact ND1-OE2 4Å; H364-E367 PolarHBondContact ND1-OE2 3.19Å; E367-L369 VanDerWaalsContact C-N 3.27Å; E367-L369 PolarHBondContact O-N 2.94Å; E367-L370 CarbonylContact O-C 3.51Å; E367-L370 WeakPolarHBondContact O-CA 3.21Å; E367-L370 WeakPolarHBondContact O-CB 3.49Å; E367-L370 PolarHBondContact O-N 2.94Å; E367-E371 PolarHBondContact O-N 3.02Å
368	K	41	Very low	40.7	Very low	101 Å²	101	113.1 Å²	113.1	44%	0.439	53%	0.53	S	S	.	.	H	α-helix	trans	-69.6	-19.2	175.5	-78.1	175.2	178.3	166.4	0	114.9	H364 A366 R372	H364-K368 VanDerWaalsContact NE2-CE 3.3Å; H364-K368 WeakPolarHBondContact NE2-CE 3.31Å; H364-K368 PolarHBondContact NE2-NZ 2.99Å; H364-K368 VanDerWaalsContact NE2-NZ 3.18Å; H364-K368 WeakPolarHBondContact O-CB 3.49Å; H364-K368 WeakPolarHBondContact O-CG 3.46Å; H364-K368 PolarHBondContact O-N 2.81Å; A366-K368 VanDerWaalsContact C-N 3.35Å; A366-K368 PolarHBondContact O-N 2.99Å; K368-R372 WeakPolarHBondContact O-CG 3.32Å
369	L	35.1	Very low	42.1	Very low	121 Å²	121	105.1 Å²	105.1	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-77.5	-32.5	166.9	-82.8	161.9	0	0	0	111.4	E365 A366 E367 R372 S373	E365-L369 PolarHBondContact O-N 3.22Å; A366-L369 WeakPolarHBondContact O-CB 3.23Å; A366-L369 PolarHBondContact O-N 3.5Å; E367-L369 VanDerWaalsContact C-N 3.27Å; E367-L369 PolarHBondContact O-N 2.94Å; L369-R372 CarbonylContact O-C 3.54Å; L369-R372 PolarHBondContact O-N 3.04Å; L369-S373 WeakPolarHBondContact O-CB 3.44Å; L369-S373 PolarHBondContact O-N 3.47Å; L369-S373 VanDerWaalsContact O-N 3.08Å
370	L	35.9	Very low	43.6	Very low	34 Å²	34	102 Å²	102	18%	0.178	48%	0.479	C	S	.	.	H	α-helix	trans	-73.8	-39.3	173.3	-70.1	161	0	0	0	112.8	A366 E367 R372 S373 V375 V398 V402	A366-L370 WeakPolarHBondContact O-CG 3.44Å; A366-L370 PolarHBondContact O-N 2.67Å; E367-L370 CarbonylContact O-C 3.51Å; E367-L370 WeakPolarHBondContact O-CA 3.21Å; E367-L370 WeakPolarHBondContact O-CB 3.49Å; E367-L370 PolarHBondContact O-N 2.94Å; L370-R372 PolarHBondContact O-N 3.12Å; L370-S373 PolarHBondContact O-N 2.74Å; L370-S373 VanDerWaalsContact O-N 3.09Å; L370-S373 PolarHBondContact O-OG 2.73Å; L370-V375 HydrophobicContact CD2-CG2 4.29Å; L370-V398 HydrophobicContact CD2-CG1 3.81Å; L370-V402 HydrophobicContact CD1-CG2 4.12Å; L370-V402 HydrophobicContact CD2-CG2 4.41Å
371	E	44.1	Very low	45.6	Very low	130 Å²	130	99 Å²	99	61%	0.607	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-10.6	169.2	-70.5	-176.7	152.4	0	0	113.1	E367	E367-E371 PolarHBondContact O-N 3.02Å
372	R	40.9	Very low	47.4	Very low	224 Å²	224	92 Å²	92	85%	0.845	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	0.8	178.3	-72	-178.8	168.4	-173.1	-2.4	113.9	K368 L369 L370	K368-R372 WeakPolarHBondContact O-CG 3.32Å; L369-R372 CarbonylContact O-C 3.54Å; L369-R372 PolarHBondContact O-N 3.04Å; L370-R372 PolarHBondContact O-N 3.12Å
373	S	41.7	Very low	48.6	Very low	44 Å²	44	91.8 Å²	91.8	31%	0.308	44%	0.443	S	S	.	.	S	Bend	trans	-103.1	165.5	-179.9	78.5	0	0	0	0	111.9	L369 L370 V375 Y376	L369-S373 WeakPolarHBondContact O-CB 3.44Å; L369-S373 PolarHBondContact O-N 3.47Å; L369-S373 VanDerWaalsContact O-N 3.08Å; L370-S373 PolarHBondContact O-N 2.74Å; L370-S373 VanDerWaalsContact O-N 3.09Å; L370-S373 PolarHBondContact O-OG 2.73Å; S373-V375 PolarHBondContact O-N 2.88Å; S373-V375 VanDerWaalsContact O-N 3.09Å; S373-Y376 PolarHBondContact O-N 2.97Å
374	E	52.9	Low	50.1	Low	161 Å²	161	92 Å²	92	75%	0.752	45%	0.452	S	S	*	.	H	α-helix	trans	-58	-24.9	-176.7	-66.2	159.8	148.4	0	0	112.4	Y376 S377 D378	E374-Y376 PolarHBondContact O-N 2.81Å; E374-Y376 VanDerWaalsContact O-N 3.15Å; E374-S377 CarbonylContact O-C 3.54Å; E374-S377 WeakPolarHBondContact O-CA 3.25Å; E374-S377 WeakPolarHBondContact O-CB 3.17Å; E374-S377 PolarHBondContact O-N 3.13Å; E374-D378 PolarHBondContact O-N 3.13Å
375	V	58	Low	51.8	Low	21 Å²	21	92 Å²	92	13%	0.127	46%	0.458	C	S	.	.	H	α-helix	trans	-51.5	-38.3	175	-180	0	0	0	0	113	L370 S373 S377 D378 L379 Y394 W395 V398	L370-V375 HydrophobicContact CD2-CG2 4.29Å; S373-V375 PolarHBondContact O-N 2.88Å; S373-V375 VanDerWaalsContact O-N 3.09Å; V375-S377 VanDerWaalsContact C-N 3.32Å; V375-D378 PolarHBondContact O-N 2.99Å; V375-L379 HydrophobicContact CG1-CD1 4.12Å; V375-L379 WeakPolarHBondContact O-CB 3.32Å; V375-L379 VanDerWaalsContact O-CG 3.31Å; V375-L379 WeakPolarHBondContact O-CG 3.3Å; V375-L379 PolarHBondContact O-N 2.78Å; V375-Y394 HydrophobicContact CG1-CE1 4.2Å; V375-W395 HydrophobicContact CG1-CE3 4.47Å; V375-W395 HydrophobicContact CG1-CZ3 4.34Å; V375-V398 HydrophobicContact CG1-CG1 4.26Å; V375-V398 HydrophobicContact CG1-CG2 4.1Å; V375-V398 HydrophobicContact CG2-CG1 4.5Å; V375-V398 HydrophobicContact CG2-CG2 4.38Å
376	Y	55.5	Low	53.1	Low	135 Å²	135	92.8 Å²	92.8	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-73.4	-27.5	178.1	-165.1	-100.2	0	0	0	112.2	S373 E374 L380	S373-Y376 PolarHBondContact O-N 2.97Å; E374-Y376 PolarHBondContact O-N 2.81Å; E374-Y376 VanDerWaalsContact O-N 3.15Å; Y376-L380 HydrophobicContact CD1-CD1 3.86Å; Y376-L380 HydrophobicContact CD1-CG 4.43Å; Y376-L380 HydrophobicContact CE1-CD1 3.67Å; Y376-L380 HydrophobicContact CE1-CG 4.21Å; Y376-L380 VanDerWaalsContact O-CG 3.3Å; Y376-L380 WeakPolarHBondContact O-CG 3.24Å; Y376-L380 PolarHBondContact O-N 3.16Å
377	S	60.9	Low	54.9	Low	75 Å²	75	96.9 Å²	96.9	52%	0.524	48%	0.481	S	S	.	.	H	α-helix	trans	-71.8	-45.7	171.3	-160.7	0	0	0	0	110.9	E374 V375 L379 L380 E381	E374-S377 CarbonylContact O-C 3.54Å; E374-S377 WeakPolarHBondContact O-CA 3.25Å; E374-S377 WeakPolarHBondContact O-CB 3.17Å; E374-S377 PolarHBondContact O-N 3.13Å; V375-S377 VanDerWaalsContact C-N 3.32Å; S377-L379 VanDerWaalsContact C-N 3.3Å; S377-L379 PolarHBondContact O-N 3.42Å; S377-L380 PolarHBondContact O-N 3.19Å; S377-E381 PolarHBondContact O-N 2.88Å
378	D	65.6	Low	56.3	Low	48 Å²	48	97 Å²	97	26%	0.257	48%	0.484	S	S	.	.	H	α-helix	trans	-56	-45.1	176.7	-55.2	-24.3	0	0	0	111.3	E374 V375 E381 M382 Y394	E374-D378 PolarHBondContact O-N 3.13Å; V375-D378 PolarHBondContact O-N 2.99Å; D378-E381 PolarHBondContact O-N 3.42Å; D378-M382 HydrophobicContact CB-CE 4Å; D378-M382 WeakPolarHBondContact O-CG 3.33Å; D378-M382 PolarHBondContact O-N 3.01Å; D378-Y394 HydrophobicContact CB-CE1 3.7Å; D378-Y394 WeakPolarHBondContact OD2-CE1 3.2Å; D378-Y394 PolarHBondContact OD2-OH 3.1Å
379	L	59.1	Low	57.8	Low	27 Å²	27	98.9 Å²	98.9	14%	0.141	50%	0.498	C	S	.	.	H	α-helix	trans	-65.9	-36.9	178.7	-75.7	167.8	0	0	0	112.8	V375 S377 Q383 A391 Y394 W395	V375-L379 HydrophobicContact CG1-CD1 4.12Å; V375-L379 WeakPolarHBondContact O-CB 3.32Å; V375-L379 VanDerWaalsContact O-CG 3.31Å; V375-L379 WeakPolarHBondContact O-CG 3.3Å; V375-L379 PolarHBondContact O-N 2.78Å; S377-L379 VanDerWaalsContact C-N 3.3Å; S377-L379 PolarHBondContact O-N 3.42Å; L379-Q383 WeakPolarHBondContact O-CB 3.47Å; L379-Q383 WeakPolarHBondContact O-CG 3.47Å; L379-Q383 PolarHBondContact O-N 3.43Å; L379-A391 HydrophobicContact CD2-CB 4.02Å; L379-A391 WeakPolarHBondContact CD2-O 3.45Å; L379-Y394 HydrophobicContact CD2-CD1 4.33Å; L379-W395 HydrophobicContact CD1-CD2 4.37Å; L379-W395 HydrophobicContact CD1-CE3 3.69Å; L379-W395 HydrophobicContact CD1-CZ3 4Å; L379-W395 HydrophobicContact CD2-CB 4.43Å
380	L	63	Low	59.6	Low	87 Å²	87	95.2 Å²	95.2	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-69.1	-37.2	174.2	-75.2	171.4	0	0	0	111.7	Y376 S377 Q383 S384	Y376-L380 HydrophobicContact CD1-CD1 3.86Å; Y376-L380 HydrophobicContact CD1-CG 4.43Å; Y376-L380 HydrophobicContact CE1-CD1 3.67Å; Y376-L380 HydrophobicContact CE1-CG 4.21Å; Y376-L380 VanDerWaalsContact O-CG 3.3Å; Y376-L380 WeakPolarHBondContact O-CG 3.24Å; Y376-L380 PolarHBondContact O-N 3.16Å; S377-L380 PolarHBondContact O-N 3.19Å; L380-Q383 PolarHBondContact O-N 2.67Å; L380-S384 PolarHBondContact O-N 3.18Å
381	E	68	Low	60.7	Low	135 Å²	135	94 Å²	94	63%	0.631	48%	0.481	S	S	*	.	H	α-helix	trans	-65.1	-47.5	173.5	-110.3	179.1	-177.8	0	0	111.1	S377 D378 Q383 S384 T385	S377-E381 PolarHBondContact O-N 2.88Å; D378-E381 PolarHBondContact O-N 3.42Å; E381-Q383 VanDerWaalsContact C-N 3.32Å; E381-Q383 PolarHBondContact O-N 2.9Å; E381-S384 WeakPolarHBondContact O-CA 3.33Å; E381-S384 WeakPolarHBondContact O-CB 3.22Å; E381-S384 PolarHBondContact O-N 3.3Å; E381-S384 PolarHBondContact O-OG 2.91Å; E381-T385 PolarHBondContact O-N 3.3Å; E381-T385 VanDerWaalsContact O-N 3.15Å; E381-T385 PolarHBondContact O-OG1 2.74Å
382	M	69.8	Low	61.7	Low	39 Å²	39	92.7 Å²	92.7	19%	0.192	48%	0.477	C	S	.	.	H	α-helix	trans	-63.9	-32.8	176.3	-66.9	179.6	-138.8	0	0	113.5	D378 S384 T385 E387 A391 Y394	D378-M382 HydrophobicContact CB-CE 4Å; D378-M382 WeakPolarHBondContact O-CG 3.33Å; D378-M382 PolarHBondContact O-N 3.01Å; M382-S384 VanDerWaalsContact C-N 3.31Å; M382-T385 WeakPolarHBondContact CA-OG1 3.49Å; M382-T385 PolarHBondContact O-N 3.08Å; M382-T385 PolarHBondContact O-OG1 2.76Å; M382-T385 VanDerWaalsContact O-OG1 3.12Å; M382-E387 PolarHBondContact O-N 3.32Å; M382-E387 VanDerWaalsContact O-N 3.11Å; M382-A391 HydrophobicContact CB-CB 3.9Å; M382-A391 HydrophobicContact SD-CB 4.2Å; M382-Y394 HydrophobicContact CE-CD1 3.61Å; M382-Y394 HydrophobicContact CE-CE1 3.94Å; M382-Y394 HydrophobicContact CE-CG 3.98Å; M382-Y394 HydrophobicContact SD-CD1 4.45Å
383	Q	54.5	Low	63.2	Low	135 Å²	135	89.6 Å²	89.6	63%	0.631	47%	0.472	S	S	*	.	H	α-helix	trans	-68.1	-30.5	170	-81.3	-166.6	-31.4	0	0	112.6	L379 L380 E381 T385	L379-Q383 WeakPolarHBondContact O-CB 3.47Å; L379-Q383 WeakPolarHBondContact O-CG 3.47Å; L379-Q383 PolarHBondContact O-N 3.43Å; L380-Q383 PolarHBondContact O-N 2.67Å; E381-Q383 VanDerWaalsContact C-N 3.32Å; E381-Q383 PolarHBondContact O-N 2.9Å; Q383-T385 VanDerWaalsContact C-N 3.32Å
384	S	62	Low	64.5	Low	95 Å²	95	91 Å²	91	66%	0.664	47%	0.471	S	S	*	.	H	α-helix	trans	-76.3	-18.9	177.3	80.3	0	0	0	0	113.8	L380 E381 M382	L380-S384 PolarHBondContact O-N 3.18Å; E381-S384 WeakPolarHBondContact O-CA 3.33Å; E381-S384 WeakPolarHBondContact O-CB 3.22Å; E381-S384 PolarHBondContact O-N 3.3Å; E381-S384 PolarHBondContact O-OG 2.91Å; M382-S384 VanDerWaalsContact C-N 3.31Å
385	T	72	Confident	65.3	Low	81 Å²	81	87.6 Å²	87.6	50%	0.497	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	6.6	177.8	55.5	0	0	0	0	114.3	E381 M382 Q383 E387	E381-T385 PolarHBondContact O-N 3.3Å; E381-T385 VanDerWaalsContact O-N 3.15Å; E381-T385 PolarHBondContact O-OG1 2.74Å; M382-T385 WeakPolarHBondContact CA-OG1 3.49Å; M382-T385 PolarHBondContact O-N 3.08Å; M382-T385 PolarHBondContact O-OG1 2.76Å; M382-T385 VanDerWaalsContact O-OG1 3.12Å; Q383-T385 VanDerWaalsContact C-N 3.32Å; T385-E387 PolarHBondContact O-N 3.28Å
386	D	64.5	Low	65.9	Low	138 Å²	138	91.4 Å²	91.4	74%	0.738	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	13.6	-175.4	-110.4	-14.4	0	0	0	114.6	I388	D386-I388 PolarHBondContact O-N 2.88Å
387	E	70.3	Confident	66.5	Low	111 Å²	111	91.2 Å²	91.2	52%	0.519	47%	0.473	S	S	.	.			trans	-82.8	47.9	-177.4	-65.1	-170.9	149.7	0	0	113.1	M382 T385 D389 A390 A391	M382-E387 PolarHBondContact O-N 3.32Å; M382-E387 VanDerWaalsContact O-N 3.11Å; T385-E387 PolarHBondContact O-N 3.28Å; E387-D389 PolarHBondContact O-N 2.84Å; E387-A390 HydrophobicContact CB-CB 4.26Å; E387-A390 PolarHBondContact O-N 2.84Å; E387-A390 VanDerWaalsContact O-N 3.08Å; E387-A391 PolarHBondContact O-N 2.9Å
388	I	66.8	Low	66.6	Low	96 Å²	96	88.6 Å²	88.6	49%	0.492	45%	0.454	S	S	.	.	H	α-helix	trans	-57.6	-42.1	-169.8	-58.3	176.3	0	0	0	112.9	D386 A390 A391 L392	D386-I388 PolarHBondContact O-N 2.88Å; I388-A390 PolarHBondContact O-N 3.39Å; I388-A391 PolarHBondContact O-N 3.32Å; I388-L392 HydrophobicContact CG2-CD1 4.32Å; I388-L392 WeakPolarHBondContact O-CG 3.33Å; I388-L392 PolarHBondContact O-N 3.42Å
389	D	74.3	Confident	66.3	Low	139 Å²	139	91.4 Å²	91.4	74%	0.743	46%	0.464	S	S	*	.	H	α-helix	trans	-66.7	-36.2	179.1	-71.1	-35.3	0	0	0	112.1	E387 L392 E393	E387-D389 PolarHBondContact O-N 2.84Å; D389-L392 PolarHBondContact O-N 2.85Å; D389-E393 PolarHBondContact O-N 2.85Å
390	A	71.2	Confident	66.4	Low	44 Å²	44	93.8 Å²	93.8	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-71.5	-38.3	176.3	0	0	0	0	0	111.5	E387 I388 L392 E393 Y394	E387-A390 HydrophobicContact CB-CB 4.26Å; E387-A390 PolarHBondContact O-N 2.84Å; E387-A390 VanDerWaalsContact O-N 3.08Å; I388-A390 PolarHBondContact O-N 3.39Å; A390-L392 VanDerWaalsContact C-N 3.3Å; A390-L392 PolarHBondContact O-N 2.9Å; A390-E393 PolarHBondContact O-N 3.16Å; A390-Y394 VanDerWaalsContact O-CB 3.32Å; A390-Y394 WeakPolarHBondContact O-CB 3.38Å; A390-Y394 PolarHBondContact O-N 3.23Å
391	A	59.4	Low	66.1	Low	9 Å²	9	93 Å²	93	7%	0.074	48%	0.479	C	S	.	.	H	α-helix	trans	-60.2	-39.1	172.6	0	0	0	0	0	112	L379 M382 E387 I388 W395	L379-A391 HydrophobicContact CD2-CB 4.02Å; L379-A391 WeakPolarHBondContact CD2-O 3.45Å; M382-A391 HydrophobicContact CB-CB 3.9Å; M382-A391 HydrophobicContact SD-CB 4.2Å; E387-A391 PolarHBondContact O-N 2.9Å; I388-A391 PolarHBondContact O-N 3.32Å; A391-W395 WeakPolarHBondContact O-CB 3.27Å; A391-W395 PolarHBondContact O-N 3.18Å
392	L	64.8	Low	65.3	Low	103 Å²	103	88.4 Å²	88.4	54%	0.539	46%	0.46	S	S	.	.	H	α-helix	trans	-68	-44.9	175.2	-73.2	169.5	0	0	0	112.4	I388 D389 A390 Y394 W395 D396	I388-L392 HydrophobicContact CG2-CD1 4.32Å; I388-L392 WeakPolarHBondContact O-CG 3.33Å; I388-L392 PolarHBondContact O-N 3.42Å; D389-L392 PolarHBondContact O-N 2.85Å; A390-L392 VanDerWaalsContact C-N 3.3Å; A390-L392 PolarHBondContact O-N 2.9Å; L392-Y394 VanDerWaalsContact C-N 3.34Å; L392-Y394 PolarHBondContact O-N 2.84Å; L392-W395 PolarHBondContact O-N 2.62Å; L392-D396 PolarHBondContact O-N 3.46Å
393	E	72.5	Confident	64.4	Low	158 Å²	158	89.1 Å²	89.1	74%	0.738	47%	0.472	S	S	*	.	H	α-helix	trans	-65.2	-37.6	177	-169.2	173.9	-138.3	0	0	111.8	D389 A390 K397	D389-E393 PolarHBondContact O-N 2.85Å; A390-E393 PolarHBondContact O-N 3.16Å; E393-K397 WeakPolarHBondContact O-CB 3.32Å; E393-K397 PolarHBondContact O-N 3.19Å; E393-K397 VanDerWaalsContact O-N 3.1Å
394	Y	69.9	Low	64.2	Low	73 Å²	73	90.5 Å²	90.5	29%	0.286	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-44.5	172.1	-173	-123	0	0	0	111.9	V375 D378 L379 M382 A390 L392 K397 V398	V375-Y394 HydrophobicContact CG1-CE1 4.2Å; D378-Y394 HydrophobicContact CB-CE1 3.7Å; D378-Y394 WeakPolarHBondContact OD2-CE1 3.2Å; D378-Y394 PolarHBondContact OD2-OH 3.1Å; L379-Y394 HydrophobicContact CD2-CD1 4.33Å; M382-Y394 HydrophobicContact CE-CD1 3.61Å; M382-Y394 HydrophobicContact CE-CE1 3.94Å; M382-Y394 HydrophobicContact CE-CG 3.98Å; M382-Y394 HydrophobicContact SD-CD1 4.45Å; A390-Y394 VanDerWaalsContact O-CB 3.32Å; A390-Y394 WeakPolarHBondContact O-CB 3.38Å; A390-Y394 PolarHBondContact O-N 3.23Å; L392-Y394 VanDerWaalsContact C-N 3.34Å; L392-Y394 PolarHBondContact O-N 2.84Å; Y394-K397 WeakPolarHBondContact O-CB 3.43Å; Y394-K397 PolarHBondContact O-N 2.86Å; Y394-V398 HydrophobicContact CE1-CG2 4.47Å; Y394-V398 HydrophobicContact CE2-CG2 4.38Å; Y394-V398 WeakPolarHBondContact O-CG2 3.34Å; Y394-V398 PolarHBondContact O-N 2.8Å
395	W	68.7	Low	63.3	Low	91 Å²	91	90.6 Å²	90.6	35%	0.345	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-45	-179.2	-176.8	-127.4	0	0	0	113.5	V375 L379 A391 L392 K397 V398 K399	V375-W395 HydrophobicContact CG1-CE3 4.47Å; V375-W395 HydrophobicContact CG1-CZ3 4.34Å; L379-W395 HydrophobicContact CD1-CD2 4.37Å; L379-W395 HydrophobicContact CD1-CE3 3.69Å; L379-W395 HydrophobicContact CD1-CZ3 4Å; L379-W395 HydrophobicContact CD2-CB 4.43Å; A391-W395 WeakPolarHBondContact O-CB 3.27Å; A391-W395 PolarHBondContact O-N 3.18Å; L392-W395 PolarHBondContact O-N 2.62Å; W395-K397 VanDerWaalsContact C-N 3.31Å; W395-K397 PolarHBondContact O-N 3.41Å; W395-V398 PolarHBondContact O-N 3.48Å; W395-K399 PolarHBondContact O-N 2.71Å
396	D	70.6	Confident	62	Low	100 Å²	100	88.3 Å²	88.3	54%	0.535	45%	0.451	S	S	.	.	H	α-helix	trans	-70.5	-28.7	177	-89.7	-3.1	0	0	0	112.2	L392 K399 S400	L392-D396 PolarHBondContact O-N 3.46Å; D396-K399 WeakPolarHBondContact OD1-CD 3.39Å; D396-K399 IonicContact OD1-NZ 2.94Å; D396-K399 PolarHBondContact OD1-NZ 2.67Å; D396-S400 WeakPolarHBondContact O-CB 3.28Å; D396-S400 PolarHBondContact O-N 2.84Å
397	K	68.4	Low	61	Low	132 Å²	132	86.6 Å²	86.6	57%	0.574	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-47	168.4	-175.3	-177.3	176.3	-171.4	0	111.9	E393 Y394 W395 K399 S400 D401	E393-K397 WeakPolarHBondContact O-CB 3.32Å; E393-K397 PolarHBondContact O-N 3.19Å; E393-K397 VanDerWaalsContact O-N 3.1Å; Y394-K397 WeakPolarHBondContact O-CB 3.43Å; Y394-K397 PolarHBondContact O-N 2.86Å; W395-K397 VanDerWaalsContact C-N 3.31Å; W395-K397 PolarHBondContact O-N 3.41Å; K397-K399 PolarHBondContact O-N 3.15Å; K397-S400 WeakPolarHBondContact O-CB 3.08Å; K397-S400 PolarHBondContact O-N 3.17Å; K397-S400 VanDerWaalsContact O-N 3.12Å; K397-D401 PolarHBondContact O-N 3.09Å
398	V	63.7	Low	59.6	Low	20 Å²	20	86.3 Å²	86.3	12%	0.121	44%	0.443	C	S	.	.	H	α-helix	trans	-60.1	-45	176	170.9	0	0	0	0	111	L370 V375 Y394 W395 S400 D401 V402	L370-V398 HydrophobicContact CD2-CG1 3.81Å; V375-V398 HydrophobicContact CG1-CG1 4.26Å; V375-V398 HydrophobicContact CG1-CG2 4.1Å; V375-V398 HydrophobicContact CG2-CG1 4.5Å; V375-V398 HydrophobicContact CG2-CG2 4.38Å; Y394-V398 HydrophobicContact CE1-CG2 4.47Å; Y394-V398 HydrophobicContact CE2-CG2 4.38Å; Y394-V398 WeakPolarHBondContact O-CG2 3.34Å; Y394-V398 PolarHBondContact O-N 2.8Å; W395-V398 PolarHBondContact O-N 3.48Å; V398-S400 VanDerWaalsContact C-N 3.3Å; V398-S400 PolarHBondContact O-N 2.83Å; V398-D401 PolarHBondContact O-N 2.96Å; V398-V402 HydrophobicContact CG1-CG2 4.11Å; V398-V402 WeakPolarHBondContact O-CB 3.24Å; V398-V402 WeakPolarHBondContact O-CG2 3.33Å; V398-V402 PolarHBondContact O-N 3.03Å
399	K	59.1	Low	58	Low	106 Å²	106	87.4 Å²	87.4	46%	0.461	45%	0.449	S	S	.	.	H	α-helix	trans	-55.7	-43.1	172.5	-85.1	170.8	-179.7	164.3	0	112.9	W395 D396 K397 V402 A403	W395-K399 PolarHBondContact O-N 2.71Å; D396-K399 WeakPolarHBondContact OD1-CD 3.39Å; D396-K399 IonicContact OD1-NZ 2.94Å; D396-K399 PolarHBondContact OD1-NZ 2.67Å; K397-K399 PolarHBondContact O-N 3.15Å; K399-V402 PolarHBondContact O-N 2.85Å; K399-A403 WeakPolarHBondContact O-CB 3.42Å; K399-A403 PolarHBondContact O-N 2.81Å
400	S	60.9	Low	56.2	Low	77 Å²	77	86.6 Å²	86.6	54%	0.538	44%	0.444	S	S	.	.	H	α-helix	trans	-61.1	-48.6	179.4	-170.3	0	0	0	0	111.4	D396 K397 V398 A403 R404	D396-S400 WeakPolarHBondContact O-CB 3.28Å; D396-S400 PolarHBondContact O-N 2.84Å; K397-S400 WeakPolarHBondContact O-CB 3.08Å; K397-S400 PolarHBondContact O-N 3.17Å; K397-S400 VanDerWaalsContact O-N 3.12Å; V398-S400 VanDerWaalsContact C-N 3.3Å; V398-S400 PolarHBondContact O-N 2.83Å; S400-A403 PolarHBondContact O-N 3.12Å; S400-R404 WeakPolarHBondContact O-CB 3.35Å; S400-R404 PolarHBondContact O-N 3.18Å
401	D	56.1	Low	54.6	Low	72 Å²	72	90.6 Å²	90.6	39%	0.385	46%	0.455	S	S	.	.	H	α-helix	trans	-69.3	-35.7	178.9	-75.9	-36.8	0	0	0	112.4	K397 V398 R404 I405	K397-D401 PolarHBondContact O-N 3.09Å; V398-D401 PolarHBondContact O-N 2.96Å; D401-R404 WeakPolarHBondContact O-CB 3.34Å; D401-R404 PolarHBondContact O-N 3.23Å; D401-I405 VanDerWaalsContact O-CG1 3.28Å; D401-I405 WeakPolarHBondContact O-CG1 3.29Å; D401-I405 PolarHBondContact O-N 3.35Å
402	V	51.3	Low	53.3	Low	38 Å²	38	92.7 Å²	92.7	23%	0.23	47%	0.473	C	S	.	.	H	α-helix	trans	-63.4	-48.5	173.3	170.1	0	0	0	0	111.4	L370 V398 K399 R404 I405 S406	L370-V402 HydrophobicContact CD1-CG2 4.12Å; L370-V402 HydrophobicContact CD2-CG2 4.41Å; V398-V402 HydrophobicContact CG1-CG2 4.11Å; V398-V402 WeakPolarHBondContact O-CB 3.24Å; V398-V402 WeakPolarHBondContact O-CG2 3.33Å; V398-V402 PolarHBondContact O-N 3.03Å; K399-V402 PolarHBondContact O-N 2.85Å; V402-R404 PolarHBondContact O-N 2.94Å; V402-I405 PolarHBondContact O-N 3.41Å; V402-I405 VanDerWaalsContact O-N 3.11Å; V402-S406 PolarHBondContact O-N 3.43Å; V402-S406 PolarHBondContact O-OG 3.36Å
403	A	51.1	Low	51.7	Low	53 Å²	53	94.6 Å²	94.6	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-60	-35.2	176	0	0	0	0	0	112	K399 S400 L407	K399-A403 WeakPolarHBondContact O-CB 3.42Å; K399-A403 PolarHBondContact O-N 2.81Å; S400-A403 PolarHBondContact O-N 3.12Å; A403-L407 PolarHBondContact O-N 2.9Å
404	R	50.4	Low	49.6	Very low	164 Å²	164	93.8 Å²	93.8	62%	0.619	48%	0.484	S	S	*	.	H	α-helix	trans	-69.2	-38.1	175.1	-165.6	178.6	-169.4	173.6	3.9	112.6	S400 D401 V402 L407 L408	S400-R404 WeakPolarHBondContact O-CB 3.35Å; S400-R404 PolarHBondContact O-N 3.18Å; D401-R404 WeakPolarHBondContact O-CB 3.34Å; D401-R404 PolarHBondContact O-N 3.23Å; V402-R404 PolarHBondContact O-N 2.94Å; R404-L407 PolarHBondContact O-N 2.87Å; R404-L408 WeakPolarHBondContact O-CG 3.37Å; R404-L408 PolarHBondContact O-N 2.79Å
405	I	43.9	Very low	47.6	Very low	97 Å²	97	94.4 Å²	94.4	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-66.5	-43.4	173.1	-70.4	162.8	0	0	0	110.6	D401 V402 L407 L408 L409	D401-I405 VanDerWaalsContact O-CG1 3.28Å; D401-I405 WeakPolarHBondContact O-CG1 3.29Å; D401-I405 PolarHBondContact O-N 3.35Å; V402-I405 PolarHBondContact O-N 3.41Å; V402-I405 VanDerWaalsContact O-N 3.11Å; I405-L407 VanDerWaalsContact C-N 3.32Å; I405-L407 PolarHBondContact O-N 3.46Å; I405-L408 PolarHBondContact O-N 2.92Å; I405-L408 VanDerWaalsContact O-N 3.17Å; I405-L409 HydrophobicContact CG2-CD1 4.05Å; I405-L409 WeakPolarHBondContact O-CG 3.48Å; I405-L409 PolarHBondContact O-N 2.87Å
406	S	43.4	Very low	45.5	Very low	34 Å²	34	95.6 Å²	95.6	24%	0.238	52%	0.517	C	S	.	.	H	α-helix	trans	-59.3	-41.8	174	-56.7	0	0	0	0	112.2	V402 L409 L410	V402-S406 PolarHBondContact O-N 3.43Å; V402-S406 PolarHBondContact O-OG 3.36Å; S406-L409 PolarHBondContact O-N 2.94Å; S406-L410 WeakPolarHBondContact O-CG 3.47Å; S406-L410 PolarHBondContact O-N 3.02Å
407	L	44.8	Very low	43.2	Very low	102 Å²	102	96.4 Å²	96.4	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-63.9	-40.4	173.5	-88.8	164	0	0	0	113	A403 R404 I405 L410 Q411	A403-L407 PolarHBondContact O-N 2.9Å; R404-L407 PolarHBondContact O-N 2.87Å; I405-L407 VanDerWaalsContact C-N 3.32Å; I405-L407 PolarHBondContact O-N 3.46Å; L407-L410 PolarHBondContact O-N 2.88Å; L407-Q411 WeakPolarHBondContact O-CG 3.26Å; L407-Q411 PolarHBondContact O-N 3.3Å
408	L	39.5	Very low	41	Very low	104 Å²	104	100.2 Å²	100.2	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-65.4	-40.3	176.3	-77.6	165.2	0	0	0	112.1	R404 I405 Q411 A412	R404-L408 WeakPolarHBondContact O-CG 3.37Å; R404-L408 PolarHBondContact O-N 2.79Å; I405-L408 PolarHBondContact O-N 2.92Å; I405-L408 VanDerWaalsContact O-N 3.17Å; L408-Q411 PolarHBondContact O-N 3.32Å; L408-A412 WeakPolarHBondContact O-CB 3.44Å; L408-A412 PolarHBondContact O-N 2.85Å
409	L	34.7	Very low	39.1	Very low	120 Å²	120	107.6 Å²	107.6	63%	0.628	57%	0.569	S	S	*	*	H	α-helix	trans	-63.1	-44.4	174.8	-71.5	166.9	0	0	0	111.5	I405 S406 Q411 A412	I405-L409 HydrophobicContact CG2-CD1 4.05Å; I405-L409 WeakPolarHBondContact O-CG 3.48Å; I405-L409 PolarHBondContact O-N 2.87Å; S406-L409 PolarHBondContact O-N 2.94Å; L409-Q411 VanDerWaalsContact C-N 3.26Å; L409-Q411 PolarHBondContact O-N 3.25Å; L409-A412 PolarHBondContact O-N 3.34Å
410	L	36.3	Very low	37.2	Very low	122 Å²	122	109 Å²	109	64%	0.639	59%	0.59	S	S	*	*	H	α-helix	trans	-63.9	-27.1	175.3	-74.3	166.7	0	0	0	113.6	S406 L407	S406-L410 WeakPolarHBondContact O-CG 3.47Å; S406-L410 PolarHBondContact O-N 3.02Å; L407-L410 PolarHBondContact O-N 2.88Å
411	Q	37.2	Very low	35.5	Very low	127 Å²	127	111.4 Å²	111.4	59%	0.593	60%	0.604	S	S	*	*	H	α-helix	trans	-86.9	-31.4	176.6	-73	-179	1.3	0	0	113.4	L407 L408 L409 D413 N414	L407-Q411 WeakPolarHBondContact O-CG 3.26Å; L407-Q411 PolarHBondContact O-N 3.3Å; L408-Q411 PolarHBondContact O-N 3.32Å; L409-Q411 VanDerWaalsContact C-N 3.26Å; L409-Q411 PolarHBondContact O-N 3.25Å; Q411-D413 VanDerWaalsContact C-N 3.31Å; Q411-D413 PolarHBondContact O-N 3.41Å; Q411-N414 PolarHBondContact O-N 3.08Å
412	A	32.3	Very low	34	Very low	54 Å²	54	111.5 Å²	111.5	45%	0.446	62%	0.622	S	S	.	*	H	α-helix	trans	-58.3	-43.9	179.1	0	0	0	0	0	111.8	L408 L409 N414 S415	L408-A412 WeakPolarHBondContact O-CB 3.44Å; L408-A412 PolarHBondContact O-N 2.85Å; L409-A412 PolarHBondContact O-N 3.34Å; A412-N414 PolarHBondContact O-N 2.61Å; A412-N414 VanDerWaalsContact O-N 3.11Å; A412-S415 PolarHBondContact O-N 3.11Å; A412-S415 PolarHBondContact O-OG 3.01Å
413	D	31	Very low	32.7	Very low	142 Å²	142	117 Å²	117	76%	0.759	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-7.8	-173.7	-133	20.2	0	0	0	114.8	Q411	Q411-D413 VanDerWaalsContact C-N 3.31Å; Q411-D413 PolarHBondContact O-N 3.41Å
414	N	28	Very low	31.4	Very low	142 Å²	142	118.8 Å²	118.8	76%	0.759	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	-8.2	-177.4	-101.2	-63.4	0	0	0	115.3	Q411 A412	Q411-N414 PolarHBondContact O-N 3.08Å; A412-N414 PolarHBondContact O-N 2.61Å; A412-N414 VanDerWaalsContact O-N 3.11Å
415	S	27.3	Very low	30.1	Very low	86 Å²	86	118 Å²	118	60%	0.601	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-19.4	-165.2	64.1	0	0	0	0	115.4	A412	A412-S415 PolarHBondContact O-N 3.11Å; A412-S415 PolarHBondContact O-OG 3.01Å
416	T	24.8	Very low	29.1	Very low	116 Å²	116	125.5 Å²	125.5	71%	0.712	69%	0.689	S	S	*	*	S	Bend	trans	-93	-1.2	-169.7	51.3	0	0	0	0	115.4	R418	T416-R418 VanDerWaalsContact C-N 3.35Å; T416-R418 PolarHBondContact O-N 3.29Å
417	V	23.1	Very low	28.1	Very low	117 Å²	117	128.5 Å²	128.5	71%	0.709	71%	0.709	S	S	*	*	S	Bend	trans	-93.8	18.9	-174.6	-165	0	0	0	0	112.7
418	R	22.3	Very low	27	Very low	211 Å²	211	128.8 Å²	128.8	80%	0.796	72%	0.72	S	S	*	*			trans	-128.7	150.8	176.7	-62.5	-171.5	-174.3	-167.1	3.1	111.5	T416	T416-R418 VanDerWaalsContact C-N 3.35Å; T416-R418 PolarHBondContact O-N 3.29Å
419	H	23.7	Very low	26.3	Very low	175 Å²	175	129.3 Å²	129.3	81%	0.81	73%	0.728	S	S	*	*			trans	80.2	73.2	-178.5	-44.2	99.2	0	0	0	116.3
420	C	19.5	Very low	25.7	Very low	135 Å²	135	127.8 Å²	127.8	91%	0.912	73%	0.733	S	S	*	*			trans	-154.2	68.8	144.8	-122.3	0	0	0	0	112
421	P	24.4	Very low	25.2	Very low	129 Å²	129	128.4 Å²	128.4	84%	0.838	74%	0.736	S	S	*	*			trans	-76.3	124.3	162.2	32.6	-30	0	0	0	109
422	G	25.3	Very low	24.5	Very low	73 Å²	73	129.6 Å²	129.6	75%	0.753	75%	0.745	S	S	*	*			trans	-171.2	98.9	-176.9	0	0	0	0	0	111.2
423	D	24.1	Very low	24.1	Very low	155 Å²	155	133 Å²	133	83%	0.829	76%	0.76	S	S	*	*			trans	-73.8	171.5	-173	-72	-66.1	0	0	0	114.5	L425	D423-L425 PolarHBondContact O-N 3.46Å
424	S	23.6	Very low	23.9	Very low	90 Å²	90	137.2 Å²	137.2	63%	0.629	77%	0.766	S	S	*	*			trans	-41.9	109.7	175.7	54.5	0	0	0	0	115.6
425	L	22.3	Very low	23.7	Very low	146 Å²	146	135.7 Å²	135.7	76%	0.764	77%	0.766	S	S	*	*			trans	-94.7	174	131.6	-91.3	69.3	0	0	0	108.8	D423	D423-L425 PolarHBondContact O-N 3.46Å
426	W	23.4	Very low	23.7	Very low	256 Å²	256	137 Å²	137	97%	0.97	77%	0.772	S	S	*	*	S	Bend	trans	69.9	27.7	178.5	-52.2	85.6	0	0	0	116.8
427	S	22	Very low	23.8	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	77%	0.774	S	S	*	*			trans	-115.4	29.1	163.4	73	0	0	0	0	113.5	T429	S427-T429 PolarHBondContact O-N 2.96Å
428	S	23.3	Very low	24.1	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	78%	0.78	S	S	*	*			trans	-79	112.4	171.6	54.3	0	0	0	0	110.5	A430	S428-A430 PolarHBondContact O-N 3.44Å
429	T	23.2	Very low	24.3	Very low	116 Å²	116	137.1 Å²	137.1	71%	0.712	78%	0.781	S	S	*	*			trans	-60.9	101.2	-177	41.9	0	0	0	0	113.2	S427 N431	S427-T429 PolarHBondContact O-N 2.96Å; T429-N431 PolarHBondContact O-N 3.4Å
430	A	23.6	Very low	24.6	Very low	88 Å²	88	136.3 Å²	136.3	73%	0.727	78%	0.782	S	S	*	*			trans	-70.2	91.4	166.3	0	0	0	0	0	109.6	S428 I432	S428-A430 PolarHBondContact O-N 3.44Å; A430-I432 VanDerWaalsContact C-N 3.28Å; A430-I432 PolarHBondContact O-N 2.76Å
431	N	24.4	Very low	25	Very low	134 Å²	134	134.8 Å²	134.8	72%	0.717	77%	0.774	S	S	*	*			trans	-68.8	81.1	177.8	-77.5	-28.4	0	0	0	111.2	T429 V433	T429-N431 PolarHBondContact O-N 3.4Å; N431-V433 PolarHBondContact O-N 3.18Å
432	I	22.9	Very low	25.3	Very low	152 Å²	152	135.5 Å²	135.5	78%	0.779	78%	0.775	S	S	*	*			trans	-72.3	84.2	170.4	-57.2	178.6	0	0	0	108.3	A430 R434	A430-I432 VanDerWaalsContact C-N 3.28Å; A430-I432 PolarHBondContact O-N 2.76Å; I432-R434 PolarHBondContact O-N 3.33Å; I432-R434 VanDerWaalsContact O-N 3.16Å
433	V	25	Very low	25.7	Very low	126 Å²	126	136.8 Å²	136.8	76%	0.764	77%	0.773	S	S	*	*			trans	-61.3	114.5	172.9	177.8	0	0	0	0	108.3	N431 S435	N431-V433 PolarHBondContact O-N 3.18Å; V433-S435 PolarHBondContact O-N 2.86Å
434	R	24.8	Very low	26.1	Very low	231 Å²	231	137.5 Å²	137.5	87%	0.872	77%	0.771	S	S	*	*			trans	-67.6	101.4	176.5	-66.8	179.4	178.1	177.9	-1.2	109.5	I432 P436	I432-R434 PolarHBondContact O-N 3.33Å; I432-R434 VanDerWaalsContact O-N 3.16Å; R434-P436 WeakPolarHBondContact O-CD 3.47Å
435	S	24.2	Very low	26.3	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	78%	0.784	S	S	*	*			trans	-65.3	115.5	169.9	-175.9	0	0	0	0	109.9	V433 N437	V433-S435 PolarHBondContact O-N 2.86Å; S435-N437 PolarHBondContact O-N 2.97Å
436	P	27.2	Very low	26.5	Very low	114 Å²	114	149 Å²	149	74%	0.74	79%	0.791	S	S	*	*			trans	-103.1	66.3	-172.7	37.7	-27.4	0	0	0	110.8	R434	R434-P436 WeakPolarHBondContact O-CD 3.47Å
437	N	28.7	Very low	27.1	Very low	139 Å²	139	142.2 Å²	142.2	74%	0.743	78%	0.778	S	S	*	*			trans	-163.8	87.6	165.7	-96.4	-32.5	0	0	0	111.4	S435	S435-N437 PolarHBondContact O-N 2.97Å
438	A	27.8	Very low	28.1	Very low	102 Å²	102	144.1 Å²	144.1	84%	0.843	79%	0.786	S	S	*	*			trans	-125.3	129.1	161.2	0	0	0	0	0	107.4
439	Y	27.3	Very low	28.9	Very low	205 Å²	205	148.1 Å²	148.1	80%	0.804	79%	0.789	S	S	*	*			trans	-76.2	153.6	-157.2	-82.7	-101	0	0	0	114.9	S441	Y439-S441 PolarHBondContact O-N 3.5Å
440	N	29	Very low	29.7	Very low	158 Å²	158	149.7 Å²	149.7	85%	0.845	79%	0.794	S	S	*	*			trans	-49.3	99.9	172.1	-61.8	-48.6	0	0	0	112.4
441	S	29.1	Very low	30.2	Very low	104 Å²	104	154.6 Å²	154.6	73%	0.727	79%	0.793	S	S	*	*			trans	-90.1	114.6	159.1	53.4	0	0	0	0	108.5	Y439 S443	Y439-S441 PolarHBondContact O-N 3.5Å; S441-S443 PolarHBondContact O-N 2.96Å
442	T	29.4	Very low	30.9	Very low	143 Å²	143	152 Å²	152	88%	0.877	78%	0.784	S	S	*	*			trans	-79	57	-176.5	42.9	0	0	0	0	112.1
443	S	34.6	Very low	32	Very low	101 Å²	101	155.1 Å²	155.1	71%	0.706	79%	0.786	S	S	*	*			trans	-66.4	144.4	167.4	59.9	0	0	0	0	110.7	S441	S441-S443 PolarHBondContact O-N 2.96Å
444	Q	32.8	Very low	33.1	Very low	169 Å²	169	156.6 Å²	156.6	79%	0.79	78%	0.782	S	S	*	*			trans	-62.4	146.3	-168	-70.1	169.6	-32.1	0	0	113.5	W446	Q444-W446 VanDerWaalsContact C-N 3.34Å; Q444-W446 PolarHBondContact O-N 2.86Å
445	R	27.9	Very low	34.1	Very low	239 Å²	239	150.5 Å²	150.5	90%	0.902	77%	0.766	S	S	*	*			trans	-79.9	72.4	-168.1	-162.4	-178.3	-162.6	173.7	5.6	112.2	T447	R445-T447 PolarHBondContact O-N 3.32Å; R445-T447 VanDerWaalsContact O-N 3.09Å
446	W	26.8	Very low	35.3	Very low	240 Å²	240	148.1 Å²	148.1	91%	0.909	75%	0.754	S	S	*	*			trans	-51.7	114.1	173.1	-70.1	84.2	0	0	0	110.5	Q444	Q444-W446 VanDerWaalsContact C-N 3.34Å; Q444-W446 PolarHBondContact O-N 2.86Å
447	T	35.8	Very low	36.6	Very low	113 Å²	113	144.7 Å²	144.7	69%	0.693	73%	0.731	S	S	*	*			trans	-79.1	124.9	-177.9	50.7	0	0	0	0	110.2	R445 K449	R445-T447 PolarHBondContact O-N 3.32Å; R445-T447 VanDerWaalsContact O-N 3.09Å; T447-K449 PolarHBondContact O-N 2.89Å
448	T	42.1	Very low	37.7	Very low	136 Å²	136	143.7 Å²	143.7	83%	0.834	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-67.4	0.2	-169.8	46.6	0	0	0	0	115.5
449	K	41.4	Very low	38.8	Very low	191 Å²	191	144.8 Å²	144.8	83%	0.83	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-71.7	-28.6	-178	-74.6	-168.3	171.4	-173.2	0	114.4	T447	T447-K449 PolarHBondContact O-N 2.89Å
450	N	38.5	Very low	40.1	Very low	150 Å²	150	137 Å²	137	80%	0.802	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-111.2	23.4	-172.9	-72.9	20.8	0	0	0	114.2	P452	N450-P452 WeakPolarHBondContact O-CD 3.37Å
451	R	35.8	Very low	41.8	Very low	190 Å²	190	136.5 Å²	136.5	72%	0.717	69%	0.694	S	S	*	*	S	Bend	trans	-72.4	121.7	166.9	-163.7	179	-165.8	-168.6	3.6	108.3	R453	R451-R453 PolarHBondContact O-N 3.45Å; R451-R453 VanDerWaalsContact O-N 3.12Å
452	P	38.3	Very low	43.9	Very low	80 Å²	80	133.9 Å²	133.9	52%	0.519	67%	0.668	S	S	.	*			trans	-63.5	117.3	-179.9	24.9	-33.2	0	0	0	109.6	N450 F454 L455	N450-P452 WeakPolarHBondContact O-CD 3.37Å; P452-F454 HydrophobicContact CB-CD2 4.33Å; P452-F454 PolarHBondContact O-N 3Å; P452-L455 PolarHBondContact O-N 2.91Å
453	R	45.8	Very low	46.5	Very low	218 Å²	218	132.8 Å²	132.8	82%	0.823	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.2	-42.6	-176.5	-78.2	-179.2	169	176.3	-4.7	112.1	R451 L455 A456 T457	R451-R453 PolarHBondContact O-N 3.45Å; R451-R453 VanDerWaalsContact O-N 3.12Å; R453-L455 VanDerWaalsContact C-N 3.28Å; R453-L455 PolarHBondContact O-N 3.5Å; R453-L455 VanDerWaalsContact O-N 3.16Å; R453-A456 PolarHBondContact O-N 2.78Å; R453-A456 VanDerWaalsContact O-N 3.12Å; R453-T457 PolarHBondContact O-N 3.12Å
454	F	48.4	Very low	48.9	Very low	156 Å²	156	135.1 Å²	135.1	68%	0.684	65%	0.646	S	S	*	*	H	α-helix	trans	-42.4	-47.6	178.5	-52.7	-74.8	0	0	0	113.8	P452 A456 T457 E458	P452-F454 HydrophobicContact CB-CD2 4.33Å; P452-F454 PolarHBondContact O-N 3Å; F454-A456 PolarHBondContact O-N 3.3Å; F454-A456 VanDerWaalsContact O-N 3.09Å; F454-T457 WeakPolarHBondContact CA-OG1 3.5Å; F454-T457 PolarHBondContact O-N 2.69Å; F454-T457 VanDerWaalsContact O-N 3.13Å; F454-T457 PolarHBondContact O-OG1 3.32Å; F454-T457 VanDerWaalsContact O-OG1 3.05Å; F454-E458 WeakPolarHBondContact O-CG 3.32Å; F454-E458 PolarHBondContact O-N 2.81Å
455	L	46	Very low	51.7	Low	103 Å²	103	127.4 Å²	127.4	54%	0.539	61%	0.61	S	S	.	*	H	α-helix	trans	-66.1	-23.3	-171.3	-156.1	76.7	0	0	0	113.2	P452 R453 L459	P452-L455 PolarHBondContact O-N 2.91Å; R453-L455 VanDerWaalsContact C-N 3.28Å; R453-L455 PolarHBondContact O-N 3.5Å; R453-L455 VanDerWaalsContact O-N 3.16Å; L455-L459 HydrophobicContact CD1-CD1 4.12Å; L455-L459 HydrophobicContact CD2-CD1 4.5Å; L455-L459 HydrophobicContact CG-CD1 3.84Å; L455-L459 HydrophobicContact CG-CG 4.47Å; L455-L459 VanDerWaalsContact O-CB 3.3Å; L455-L459 WeakPolarHBondContact O-CB 3.21Å; L455-L459 WeakPolarHBondContact O-CD1 3.33Å; L455-L459 VanDerWaalsContact O-CG 3.28Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å
456	A	48.6	Very low	54.8	Low	60 Å²	60	116 Å²	116	50%	0.496	57%	0.567	S	S	.	*	H	α-helix	trans	-97.6	-18.9	176.7	0	0	0	0	0	113.5	R453 F454	R453-A456 PolarHBondContact O-N 2.78Å; R453-A456 VanDerWaalsContact O-N 3.12Å; F454-A456 PolarHBondContact O-N 3.3Å; F454-A456 VanDerWaalsContact O-N 3.09Å
457	T	54.7	Low	58	Low	42 Å²	42	104.6 Å²	104.6	26%	0.258	52%	0.524	S	S	.	.	H	α-helix	trans	-79	-44.5	172.4	52	0	0	0	0	111.4	R453 F454 R462	R453-T457 PolarHBondContact O-N 3.12Å; F454-T457 WeakPolarHBondContact CA-OG1 3.5Å; F454-T457 PolarHBondContact O-N 2.69Å; F454-T457 VanDerWaalsContact O-N 3.13Å; F454-T457 PolarHBondContact O-OG1 3.32Å; F454-T457 VanDerWaalsContact O-OG1 3.05Å; T457-R462 PolarHBondContact O-NH1 2.74Å
458	E	52	Low	60.7	Low	117 Å²	117	99.3 Å²	99.3	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-82.5	-34	-174.2	-52.5	-45.8	114.8	0	0	114.2	F454 A460	F454-E458 WeakPolarHBondContact O-CG 3.32Å; F454-E458 PolarHBondContact O-N 2.81Å; E458-A460 VanDerWaalsContact C-N 3.33Å
459	L	50.2	Low	63.2	Low	125 Å²	125	93 Å²	93	65%	0.654	45%	0.453	S	S	*	.	S	Bend	trans	-79.7	-14.4	179.6	-68.6	-177.4	0	0	0	113.8	L455 T461	L455-L459 HydrophobicContact CD1-CD1 4.12Å; L455-L459 HydrophobicContact CD2-CD1 4.5Å; L455-L459 HydrophobicContact CG-CD1 3.84Å; L455-L459 HydrophobicContact CG-CG 4.47Å; L455-L459 VanDerWaalsContact O-CB 3.3Å; L455-L459 WeakPolarHBondContact O-CB 3.21Å; L455-L459 WeakPolarHBondContact O-CD1 3.33Å; L455-L459 VanDerWaalsContact O-CG 3.28Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L459-T461 PolarHBondContact O-N 3.06Å
460	A	55.5	Low	65.5	Low	42 Å²	42	85.5 Å²	85.5	35%	0.347	42%	0.421	S	S	.	.	S	Bend	trans	-75.4	106.1	172.2	0	0	0	0	0	108.2	E458 R462	E458-A460 VanDerWaalsContact C-N 3.33Å; A460-R462 VanDerWaalsContact CB-NH2 3.27Å; A460-R462 PolarHBondContact O-N 2.86Å
461	T	63.7	Low	67.9	Low	148 Å²	148	78.7 Å²	78.7	91%	0.908	39%	0.386	S	S	*	.			trans	-65.7	91.8	-179.7	53	0	0	0	0	110.7	L459	L459-T461 PolarHBondContact O-N 3.06Å
462	R	73.8	Confident	70.3	Confident	49 Å²	49	72 Å²	72	19%	0.185	37%	0.368	C	S	.	.			trans	-101.5	156.8	172.4	-64.7	-166.3	-149.1	76.7	16.4	110.9	T457 A460 D530 A531 F532 D533	T457-R462 PolarHBondContact O-NH1 2.74Å; A460-R462 VanDerWaalsContact CB-NH2 3.27Å; A460-R462 PolarHBondContact O-N 2.86Å; R462-D530 VanDerWaalsContact CD-O 3.24Å; R462-D530 WeakPolarHBondContact CD-O 3.48Å; R462-D530 WeakPolarHBondContact CG-O 3.42Å; R462-D530 PolarHBondContact NE-O 2.82Å; R462-A531 VanDerWaalsContact CA-O 3.31Å; R462-A531 WeakPolarHBondContact CA-O 3.43Å; R462-A531 VanDerWaalsContact CB-O 3.32Å; R462-A531 WeakPolarHBondContact CB-O 3.4Å; R462-F532 WeakPolarHBondContact CD-O 3.46Å; R462-D533 WeakPolarHBondContact CD-OD1 3.43Å; R462-D533 IonicContact CZ-OD1 3.58Å; R462-D533 IonicContact NE-OD1 2.69Å; R462-D533 IonicContact NH1-OD1 2.72Å; R462-D533 PolarHBondContact NH1-OD1 3.11Å
463	E	83.4	Confident	72.2	Confident	119 Å²	119	76 Å²	76	56%	0.556	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.2	166.6	-73.3	166.9	-144.5	0	0	109.1	L465 A531 F532 D533	E463-L465 PolarHBondContact O-N 3.36Å; E463-A531 PolarHBondContact N-O 3.41Å; E463-F532 HydrophobicContact CB-CD1 3.48Å; E463-F532 VanDerWaalsContact CB-CD1 3.48Å; E463-F532 HydrophobicContact CB-CE1 3.42Å; E463-F532 VanDerWaalsContact CB-CE1 3.42Å; E463-F532 HydrophobicContact CB-CZ 4.42Å; E463-F532 HydrophobicContact CG-CE1 4.29Å; E463-F532 WeakPolarHBondContact O-CA 3.41Å; E463-F532 WeakPolarHBondContact O-CD1 3.43Å; E463-F532 WeakPolarHBondContact OE2-CE1 3.38Å; E463-D533 PolarHBondContact O-N 3.45Å; E463-D533 VanDerWaalsContact O-N 3.13Å
464	R	86.3	Confident	73.8	Confident	151 Å²	151	71.3 Å²	71.3	57%	0.57	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	-47.2	-169.9	-76.2	-170.9	-178.5	162.2	8.8	113.7	F534	R464-F534 WeakPolarHBondContact O-CB 3.39Å; R464-F534 WeakPolarHBondContact O-CD2 3.44Å; R464-F534 PolarHBondContact O-N 3.01Å
465	L	91	Very high	75.3	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.1	-174.3	-173.3	74.5	0	0	0	112	E463 I467 M490 A492 A493 F534 L536 L549 L553 L580	E463-L465 PolarHBondContact O-N 3.36Å; L465-I467 HydrophobicContact CD2-CD1 3.93Å; L465-I467 HydrophobicContact CD2-CG1 3.55Å; L465-I467 HydrophobicContact CG-CG1 4.09Å; L465-M490 HydrophobicContact CB-CE 4.01Å; L465-M490 HydrophobicContact CD2-CE 3.36Å; L465-M490 HydrophobicContact CG-CE 4.31Å; L465-A492 HydrophobicContact CD2-CB 4.45Å; L465-A493 PolarHBondContact O-N 2.9Å; L465-F534 WeakPolarHBondContact CA-O 3.27Å; L465-F534 HydrophobicContact CD1-CB 3.62Å; L465-L536 HydrophobicContact CD1-CB 4Å; L465-L536 HydrophobicContact CD2-CB 4.49Å; L465-L536 HydrophobicContact CD2-CD2 4.44Å; L465-L549 HydrophobicContact CD2-CD2 3.8Å; L465-L553 HydrophobicContact CB-CD1 4.33Å; L465-L553 HydrophobicContact CD1-CD1 4.32Å; L465-L553 HydrophobicContact CD2-CD1 4.09Å; L465-L553 HydrophobicContact CG-CD1 4.48Å; L465-L580 HydrophobicContact CD1-CD1 3.76Å
466	L	93	Very high	77	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.8	158.1	170.7	57.7	0	0	0	110	A493 L495 V524 K528 F532 F534 Y535 L536	L466-A493 HydrophobicContact CD1-CB 4.48Å; L466-L495 HydrophobicContact CD1-CB 4.1Å; L466-L495 HydrophobicContact CD1-CD1 3.9Å; L466-L495 HydrophobicContact CD1-CG 3.72Å; L466-L495 HydrophobicContact CD2-CD1 3.99Å; L466-V524 HydrophobicContact CD2-CG1 4.29Å; L466-K528 HydrophobicContact CD2-CB 3.98Å; L466-K528 HydrophobicContact CD2-CG 4.21Å; L466-F532 HydrophobicContact CB-CB 4.2Å; L466-F532 HydrophobicContact CB-CD1 3.67Å; L466-F532 HydrophobicContact CB-CD2 3.63Å; L466-F532 HydrophobicContact CB-CE1 3.88Å; L466-F532 HydrophobicContact CB-CE2 3.85Å; L466-F532 HydrophobicContact CB-CG 3.55Å; L466-F532 HydrophobicContact CB-CZ 3.98Å; L466-F532 HydrophobicContact CD1-CE2 4.48Å; L466-F532 HydrophobicContact CD1-CZ 4.39Å; L466-F532 HydrophobicContact CD2-CD2 3.93Å; L466-F532 HydrophobicContact CD2-CE2 3.85Å; L466-F532 HydrophobicContact CG-CD2 4.37Å; L466-F532 HydrophobicContact CG-CE2 4.28Å; L466-F534 PolarHBondContact N-O 3Å; L466-Y535 HydrophobicContact CB-CD1 4.08Å; L466-Y535 HydrophobicContact CB-CE1 4.44Å; L466-Y535 HydrophobicContact CD2-CD1 3.99Å; L466-Y535 HydrophobicContact CD2-CE1 4.13Å; L466-Y535 HydrophobicContact CG-CD1 4.42Å; L466-Y535 CarbonylContact O-C 3.49Å; L466-Y535 WeakPolarHBondContact O-CA 3.41Å; L466-L536 PolarHBondContact O-N 2.87Å
467	I	93.7	Very high	78.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117	167.5	-60.2	178.1	0	0	0	108.4	L465 L483 T487 A492 A493 I494 L495 L536 I538	L465-I467 HydrophobicContact CD2-CD1 3.93Å; L465-I467 HydrophobicContact CD2-CG1 3.55Å; L465-I467 HydrophobicContact CG-CG1 4.09Å; I467-L483 HydrophobicContact CG2-CD2 4.13Å; I467-T487 HydrophobicContact CD1-CG2 3.54Å; I467-A492 HydrophobicContact CD1-CB 3.67Å; I467-A492 HydrophobicContact CG1-CB 4.14Å; I467-A493 PolarHBondContact N-O 2.92Å; I467-I494 HydrophobicContact CB-CG1 4.49Å; I467-I494 HydrophobicContact CB-CG2 4.4Å; I467-I494 HydrophobicContact CG2-CG2 4.39Å; I467-I494 CarbonylContact O-C 3.59Å; I467-I494 VanDerWaalsContact O-CA 3.32Å; I467-I494 WeakPolarHBondContact O-CA 3.28Å; I467-L495 PolarHBondContact O-N 3.17Å; I467-L536 WeakPolarHBondContact CA-O 3.29Å; I467-L536 HydrophobicContact CG1-CB 4.46Å; I467-I538 HydrophobicContact CG2-CD1 4.11Å
468	A	93.2	Very high	80	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.5	173.8	0	0	0	0	0	109	L495 Y497 M520 V524 L536 L537 I538	A468-L495 WeakPolarHBondContact CA-O 3.34Å; A468-Y497 HydrophobicContact CB-CD2 4.12Å; A468-Y497 HydrophobicContact CB-CE2 3.77Å; A468-M520 HydrophobicContact CB-CE 4.49Å; A468-M520 HydrophobicContact CB-CG 4.17Å; A468-M520 HydrophobicContact CB-SD 3.89Å; A468-V524 HydrophobicContact CB-CG2 3.91Å; A468-L536 PolarHBondContact N-O 2.83Å; A468-L537 HydrophobicContact CB-CD2 3.84Å; A468-L537 WeakPolarHBondContact O-CA 3.36Å; A468-I538 PolarHBondContact O-N 3.26Å; A468-I538 VanDerWaalsContact O-N 3.09Å
469	S	93	Very high	81.5	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.028	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.4	178.2	-171.5	0	0	0	0	110.5	S471 L495 Y497 I538	S469-S471 PolarHBondContact OG-OG 3.29Å; S469-L495 PolarHBondContact N-O 2.9Å; S469-Y497 PolarHBondContact O-N 3.04Å; S469-I538 WeakPolarHBondContact CA-O 3.4Å
470	L	91	Very high	83.1	Confident	33 Å²	33	50.4 Å²	50.4	17%	0.173	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.1	167.5	-173.2	70.3	0	0	0	108.2	P515 M520 I538 E540 F575	L470-P515 HydrophobicContact CD1-CB 4.22Å; L470-M520 HydrophobicContact CB-CE 4.01Å; L470-M520 HydrophobicContact CB-SD 4.06Å; L470-I538 PolarHBondContact N-O 2.91Å; L470-E540 PolarHBondContact O-N 3.19Å; L470-F575 HydrophobicContact CB-CE1 4.45Å; L470-F575 HydrophobicContact CB-CZ 3.94Å; L470-F575 HydrophobicContact CD2-CE1 4.03Å; L470-F575 HydrophobicContact CD2-CZ 4.24Å
471	S	88.2	Confident	84.4	Confident	8 Å²	8	54 Å²	54	6%	0.056	27%	0.27	C	S	.	.			trans	-127.5	146.5	-172.3	-46	0	0	0	0	112.6	S469 Y497 E540	S469-S471 PolarHBondContact OG-OG 3.29Å; S471-Y497 PolarHBondContact N-O 2.97Å; S471-E540 VanDerWaalsContact CA-OE2 3.3Å; S471-E540 WeakPolarHBondContact CA-OE2 3.41Å
472	S	85.7	Confident	85.5	Confident	48 Å²	48	47.5 Å²	47.5	34%	0.336	23%	0.231	S	C	.	.			trans	-80.5	170.5	170.2	62.1	0	0	0	0	111.6	D474 G475 L476 E540	S472-D474 VanDerWaalsContact C-N 3.34Å; S472-D474 PolarHBondContact O-N 3.09Å; S472-G475 PolarHBondContact O-N 3.08Å; S472-G475 PolarHBondContact OG-N 3Å; S472-G475 VanDerWaalsContact OG-N 3.1Å; S472-L476 PolarHBondContact O-N 3.34Å; S472-L476 VanDerWaalsContact O-N 3.09Å; S472-E540 WeakPolarHBondContact CB-OE1 3.43Å; S472-E540 PolarHBondContact N-OE1 3.34Å; S472-E540 PolarHBondContact N-OE2 3.34Å; S472-E540 VanDerWaalsContact OG-CD 3.28Å; S472-E540 PolarHBondContact OG-OE1 3.45Å; S472-E540 PolarHBondContact OG-OE2 3.39Å
473	R	80	Confident	86.1	Confident	166 Å²	166	45.7 Å²	45.7	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-48.1	176.9	173.1	175.6	172.5	171.5	-2.1	112.3	V502	R473-V502 HydrophobicContact CB-CG2 3.66Å; R473-V502 HydrophobicContact CG-CG2 3.77Å
474	D	79.1	Confident	86.3	Confident	118 Å²	118	41.7 Å²	41.7	63%	0.631	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-19	-177.3	-50.6	-47.4	0	0	0	111.5	S472 S477 S478	S472-D474 VanDerWaalsContact C-N 3.34Å; S472-D474 PolarHBondContact O-N 3.09Å; D474-S477 PolarHBondContact O-OG 3.01Å; D474-S478 WeakPolarHBondContact O-CB 3.38Å; D474-S478 PolarHBondContact O-OG 3.49Å
475	G	79.6	Confident	86.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-34.4	171.5	0	0	0	0	0	114.5	S472 S477 S478 F479 G480 E540	S472-G475 PolarHBondContact O-N 3.08Å; S472-G475 PolarHBondContact OG-N 3Å; S472-G475 VanDerWaalsContact OG-N 3.1Å; G475-S477 VanDerWaalsContact C-N 3.27Å; G475-S477 PolarHBondContact O-N 2.83Å; G475-S478 VanDerWaalsContact CA-OG 3.32Å; G475-S478 WeakPolarHBondContact CA-OG 3.4Å; G475-S478 CarbonylContact O-C 3.6Å; G475-S478 PolarHBondContact O-N 2.99Å; G475-S478 PolarHBondContact O-OG 3.18Å; G475-F479 PolarHBondContact O-N 3.46Å; G475-G480 PolarHBondContact O-N 3.45Å; G475-E540 WeakPolarHBondContact CA-OE2 3.34Å
476	L	80.9	Confident	86.1	Confident	13 Å²	13	38.6 Å²	38.6	7%	0.068	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.1	-179	178.2	62.8	0	0	0	113.7	S472 Y496 V502 V509	S472-L476 PolarHBondContact O-N 3.34Å; S472-L476 VanDerWaalsContact O-N 3.09Å; L476-Y496 HydrophobicContact CD1-CD1 4.2Å; L476-Y496 HydrophobicContact CD1-CD2 3.95Å; L476-Y496 HydrophobicContact CD1-CG 3.66Å; L476-V502 HydrophobicContact CD2-CG1 4.41Å; L476-V509 HydrophobicContact CD1-CG2 3.8Å; L476-V509 HydrophobicContact CD2-CG1 4.17Å; L476-V509 HydrophobicContact CD2-CG2 3.88Å; L476-V509 HydrophobicContact CG-CG2 4.48Å
477	S	80.9	Confident	85.7	Confident	80 Å²	80	38.7 Å²	38.7	56%	0.559	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	3.7	177.6	57.6	0	0	0	0	113.7	D474 G475 F481	D474-S477 PolarHBondContact O-OG 3.01Å; G475-S477 VanDerWaalsContact C-N 3.27Å; G475-S477 PolarHBondContact O-N 2.83Å; S477-F481 WeakPolarHBondContact O-CD2 3.36Å
478	S	85	Confident	85.3	Confident	37 Å²	37	45.6 Å²	45.6	26%	0.259	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-74.6	-169.6	66.3	0	0	0	0	111.6	D474 G475 G480 F481 A482 V661	D474-S478 WeakPolarHBondContact O-CB 3.38Å; D474-S478 PolarHBondContact O-OG 3.49Å; G475-S478 VanDerWaalsContact CA-OG 3.32Å; G475-S478 WeakPolarHBondContact CA-OG 3.4Å; G475-S478 CarbonylContact O-C 3.6Å; G475-S478 PolarHBondContact O-N 2.99Å; G475-S478 PolarHBondContact O-OG 3.18Å; S478-G480 VanDerWaalsContact C-N 3.29Å; S478-G480 PolarHBondContact O-N 3.04Å; S478-F481 PolarHBondContact O-N 3.1Å; S478-A482 PolarHBondContact O-N 3.17Å; S478-V661 VanDerWaalsContact C-CG2 3.48Å
479	F	84.4	Confident	84.6	Confident	34 Å²	34	49.1 Å²	49.1	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-34.3	170.1	-62.9	-71.4	0	0	0	112.7	G475 F481 A482 L483 E540 T659 S660 V661 H664	G475-F479 PolarHBondContact O-N 3.46Å; F479-F481 PolarHBondContact O-N 3.48Å; F479-A482 WeakPolarHBondContact O-CB 3.43Å; F479-A482 PolarHBondContact O-N 3.5Å; F479-A482 VanDerWaalsContact O-N 3.08Å; F479-L483 PolarHBondContact O-N 3.43Å; F479-E540 HydrophobicContact CB-CB 4.03Å; F479-E540 WeakPolarHBondContact CD1-O 3.2Å; F479-E540 HydrophobicContact CD2-CB 4.25Å; F479-E540 HydrophobicContact CD2-CG 4.34Å; F479-E540 HydrophobicContact CG-CB 4.2Å; F479-T659 WeakPolarHBondContact CZ-O 3.29Å; F479-S660 VanDerWaalsContact CE1-C 3.41Å; F479-V661 HydrophobicContact CD1-CG2 4.07Å; F479-V661 HydrophobicContact CE1-CG2 4.18Å; F479-V661 HydrophobicContact CG-CG2 4.36Å; F479-H664 AromaticContact CD1-CE1 3.53Å; F479-H664 AromaticContact CD1-ND1 3.67Å; F479-H664 AromaticContact CE1-CE1 3.76Å; F479-H664 AromaticContact CE1-ND1 3.73Å
480	G	83.5	Confident	84.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-46.9	177.5	0	0	0	0	0	113	G475 S478 A484 Y496	G475-G480 PolarHBondContact O-N 3.45Å; S478-G480 VanDerWaalsContact C-N 3.29Å; S478-G480 PolarHBondContact O-N 3.04Å; G480-A484 WeakPolarHBondContact O-CB 3.45Å; G480-A484 PolarHBondContact O-N 2.94Å; G480-Y496 PolarHBondContact O-OH 2.95Å; G480-Y496 VanDerWaalsContact O-OH 3.11Å
481	F	83.5	Confident	83.5	Confident	116 Å²	116	57.7 Å²	57.7	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-71.1	-29.7	174.1	-67.3	-67.7	0	0	0	113	S477 S478 F479 N485	S477-F481 WeakPolarHBondContact O-CD2 3.36Å; S478-F481 PolarHBondContact O-N 3.1Å; F479-F481 PolarHBondContact O-N 3.48Å; F481-N485 WeakPolarHBondContact O-CB 3.21Å; F481-N485 PolarHBondContact O-N 3.46Å; F481-N485 PolarHBondContact O-ND2 2.82Å
482	A	85.5	Confident	83	Confident	12 Å²	12	58.2 Å²	58.2	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-47.3	175.7	0	0	0	0	0	111.4	S478 F479 N485 A486 V661 H664	S478-A482 PolarHBondContact O-N 3.17Å; F479-A482 WeakPolarHBondContact O-CB 3.43Å; F479-A482 PolarHBondContact O-N 3.5Å; F479-A482 VanDerWaalsContact O-N 3.08Å; A482-N485 PolarHBondContact O-N 2.8Å; A482-A486 WeakPolarHBondContact O-CB 3.35Å; A482-A486 PolarHBondContact O-N 3.26Å; A482-V661 HydrophobicContact CB-CG1 4.35Å; A482-H664 HydrophobicContact CB-CB 3.85Å
483	L	87.5	Confident	83.2	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-49.5	173.9	-178.6	63.4	0	0	0	111	I467 F479 N485 A486 T487 I494 Y496 V544	I467-L483 HydrophobicContact CG2-CD2 4.13Å; F479-L483 PolarHBondContact O-N 3.43Å; L483-N485 VanDerWaalsContact C-N 3.29Å; L483-N485 PolarHBondContact O-N 2.82Å; L483-A486 PolarHBondContact O-N 3.33Å; L483-A486 VanDerWaalsContact O-N 3.1Å; L483-T487 HydrophobicContact CD1-CG2 3.91Å; L483-T487 HydrophobicContact CG-CG2 4.46Å; L483-T487 PolarHBondContact O-N 3.28Å; L483-T487 PolarHBondContact O-OG1 3.36Å; L483-T487 VanDerWaalsContact O-OG1 3.08Å; L483-I494 HydrophobicContact CD2-CG2 4.12Å; L483-Y496 HydrophobicContact CD2-CE1 4.33Å; L483-V544 HydrophobicContact CD1-CB 4.34Å; L483-V544 HydrophobicContact CD1-CG2 3.72Å
484	A	87.8	Confident	83.7	Confident	34 Å²	34	50.5 Å²	50.5	28%	0.281	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-35.9	179.1	0	0	0	0	0	113.5	G480 K488 I494	G480-A484 WeakPolarHBondContact O-CB 3.45Å; G480-A484 PolarHBondContact O-N 2.94Å; A484-K488 WeakPolarHBondContact O-CB 3.28Å; A484-K488 PolarHBondContact O-N 3.49Å; A484-I494 HydrophobicContact CB-CD1 4Å
485	N	85.9	Confident	84.3	Confident	91 Å²	91	45.6 Å²	45.6	49%	0.487	25%	0.25	S	C	.	.	H	α-helix	trans	-72	-39	174.4	-79.3	-39.4	0	0	0	112.3	F481 A482 L483 K488	F481-N485 WeakPolarHBondContact O-CB 3.21Å; F481-N485 PolarHBondContact O-N 3.46Å; F481-N485 PolarHBondContact O-ND2 2.82Å; A482-N485 PolarHBondContact O-N 2.8Å; L483-N485 VanDerWaalsContact C-N 3.29Å; L483-N485 PolarHBondContact O-N 2.82Å; N485-K488 VanDerWaalsContact O-CB 3.27Å; N485-K488 WeakPolarHBondContact O-CB 3.21Å
486	A	86.3	Confident	84.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-39.9	177.1	0	0	0	0	0	112.6	A482 L483 K488 P489 Y543 A546 N668	A482-A486 WeakPolarHBondContact O-CB 3.35Å; A482-A486 PolarHBondContact O-N 3.26Å; L483-A486 PolarHBondContact O-N 3.33Å; L483-A486 VanDerWaalsContact O-N 3.1Å; A486-K488 VanDerWaalsContact C-N 3.35Å; A486-P489 WeakPolarHBondContact O-CD 3.44Å; A486-Y543 HydrophobicContact CB-CD2 4.36Å; A486-Y543 HydrophobicContact CB-CE2 3.62Å; A486-A546 WeakPolarHBondContact O-CB 3.44Å; A486-N668 WeakPolarHBondContact CA-OD1 3.18Å
487	T	85.8	Confident	85.3	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-87.7	-3.5	-178.7	63.5	0	0	0	0	113.9	I467 L483 M490 Q491 I494	I467-T487 HydrophobicContact CD1-CG2 3.54Å; L483-T487 HydrophobicContact CD1-CG2 3.91Å; L483-T487 HydrophobicContact CG-CG2 4.46Å; L483-T487 PolarHBondContact O-N 3.28Å; L483-T487 PolarHBondContact O-OG1 3.36Å; L483-T487 VanDerWaalsContact O-OG1 3.08Å; T487-M490 PolarHBondContact O-N 3.2Å; T487-M490 VanDerWaalsContact O-N 3.11Å; T487-Q491 PolarHBondContact O-N 3.05Å; T487-I494 WeakPolarHBondContact OG1-CD1 3.18Å
488	K	85	Confident	85.6	Confident	144 Å²	144	41.7 Å²	41.7	63%	0.626	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-51.2	-39.3	177.5	-164.7	174.3	-175	173.2	0	114.8	A484 N485 A486 M490 Q491	A484-K488 WeakPolarHBondContact O-CB 3.28Å; A484-K488 PolarHBondContact O-N 3.49Å; N485-K488 VanDerWaalsContact O-CB 3.27Å; N485-K488 WeakPolarHBondContact O-CB 3.21Å; A486-K488 VanDerWaalsContact C-N 3.35Å; K488-M490 VanDerWaalsContact C-N 3.26Å; K488-M490 PolarHBondContact O-N 3.02Å; K488-Q491 PolarHBondContact O-N 3.41Å
489	P	79.1	Confident	85.6	Confident	75 Å²	75	40.5 Å²	40.5	49%	0.487	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.9	-32	178.4	-23.5	35.4	0	0	0	113.5	A486 F547	A486-P489 WeakPolarHBondContact O-CD 3.44Å; P489-F547 HydrophobicContact CB-CD1 4.47Å; P489-F547 HydrophobicContact CB-CE1 3.92Å; P489-F547 HydrophobicContact CB-CZ 4.39Å; P489-F547 HydrophobicContact CG-CE1 3.86Å; P489-F547 HydrophobicContact CG-CZ 3.81Å
490	M	82.2	Confident	85.4	Confident	37 Å²	37	45.9 Å²	45.9	18%	0.182	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-95	-4.7	-177.4	-155.8	-174.4	80.3	0	0	113.3	L465 T487 K488 A492 L549 D550 L553	L465-M490 HydrophobicContact CB-CE 4.01Å; L465-M490 HydrophobicContact CD2-CE 3.36Å; L465-M490 HydrophobicContact CG-CE 4.31Å; T487-M490 PolarHBondContact O-N 3.2Å; T487-M490 VanDerWaalsContact O-N 3.11Å; K488-M490 VanDerWaalsContact C-N 3.26Å; K488-M490 PolarHBondContact O-N 3.02Å; M490-A492 HydrophobicContact CE-CB 3.85Å; M490-A492 PolarHBondContact O-N 3.44Å; M490-A492 VanDerWaalsContact O-N 3.16Å; M490-L549 HydrophobicContact CE-CD2 4.34Å; M490-L549 HydrophobicContact SD-CG 4.29Å; M490-D550 HydrophobicContact CG-CB 3.79Å; M490-D550 HydrophobicContact SD-CB 3.74Å; M490-L553 HydrophobicContact CE-CD1 3.97Å; M490-L553 HydrophobicContact SD-CD1 4.01Å
491	Q	76.9	Confident	85	Confident	180 Å²	180	53.8 Å²	53.8	84%	0.841	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.7	-179.3	-53.1	-176.3	33	0	0	114	T487 K488	T487-Q491 PolarHBondContact O-N 3.05Å; K488-Q491 PolarHBondContact O-N 3.41Å
492	A	79.6	Confident	84.4	Confident	20 Å²	20	49.2 Å²	49.2	17%	0.165	26%	0.257	C	S	.	.			trans	-62.9	141	-179.3	0	0	0	0	0	112.2	L465 I467 M490	L465-A492 HydrophobicContact CD2-CB 4.45Å; I467-A492 HydrophobicContact CD1-CB 3.67Å; I467-A492 HydrophobicContact CG1-CB 4.14Å; M490-A492 HydrophobicContact CE-CB 3.85Å; M490-A492 PolarHBondContact O-N 3.44Å; M490-A492 VanDerWaalsContact O-N 3.16Å
493	A	88.5	Confident	83.6	Confident	26 Å²	26	55 Å²	55	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.4	165.9	0	0	0	0	0	109.5	L465 L466 I467 F532	L465-A493 PolarHBondContact O-N 2.9Å; L466-A493 HydrophobicContact CD1-CB 4.48Å; I467-A493 PolarHBondContact N-O 2.92Å; A493-F532 HydrophobicContact CB-CE1 3.49Å; A493-F532 VanDerWaalsContact CB-CE1 3.49Å; A493-F532 HydrophobicContact CB-CZ 3.77Å
494	I	91.2	Very high	82.8	Confident	25 Å²	25	57.2 Å²	57.2	13%	0.128	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.9	-179.3	-43.5	173.9	0	0	0	109.1	I467 L483 A484 T487 Y496	I467-I494 HydrophobicContact CB-CG1 4.49Å; I467-I494 HydrophobicContact CB-CG2 4.4Å; I467-I494 HydrophobicContact CG2-CG2 4.39Å; I467-I494 CarbonylContact O-C 3.59Å; I467-I494 VanDerWaalsContact O-CA 3.32Å; I467-I494 WeakPolarHBondContact O-CA 3.28Å; L483-I494 HydrophobicContact CD2-CG2 4.12Å; A484-I494 HydrophobicContact CB-CD1 4Å; T487-I494 WeakPolarHBondContact OG1-CD1 3.18Å; I494-Y496 HydrophobicContact CB-CE2 4.27Å; I494-Y496 WeakPolarHBondContact CD1-OH 3.32Å; I494-Y496 HydrophobicContact CG2-CD1 4.36Å; I494-Y496 HydrophobicContact CG2-CE1 3.73Å; I494-Y496 HydrophobicContact CG2-CE2 3.93Å; I494-Y496 VanDerWaalsContact CG2-CZ 3.48Å
495	L	90.8	Very high	82	Confident	16 Å²	16	63.2 Å²	63.2	8%	0.084	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.5	166.6	-68.7	176.9	0	0	0	110	L466 I467 A468 S469 Y497 D508 K528	L466-L495 HydrophobicContact CD1-CB 4.1Å; L466-L495 HydrophobicContact CD1-CD1 3.9Å; L466-L495 HydrophobicContact CD1-CG 3.72Å; L466-L495 HydrophobicContact CD2-CD1 3.99Å; I467-L495 PolarHBondContact O-N 3.17Å; A468-L495 WeakPolarHBondContact CA-O 3.34Å; S469-L495 PolarHBondContact N-O 2.9Å; L495-Y497 HydrophobicContact CB-CD2 4.37Å; L495-Y497 HydrophobicContact CB-CE2 3.69Å; L495-D508 WeakPolarHBondContact CA-O 3.36Å; L495-K528 HydrophobicContact CD1-CD 4.44Å; L495-K528 HydrophobicContact CD1-CG 4.08Å
496	Y	90.8	Very high	81.6	Confident	6 Å²	6	62.5 Å²	62.5	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.2	178.5	-54.5	-81.7	0	0	0	109.8	L476 G480 L483 I494 D508 V509 V510	L476-Y496 HydrophobicContact CD1-CD1 4.2Å; L476-Y496 HydrophobicContact CD1-CD2 3.95Å; L476-Y496 HydrophobicContact CD1-CG 3.66Å; G480-Y496 PolarHBondContact O-OH 2.95Å; G480-Y496 VanDerWaalsContact O-OH 3.11Å; L483-Y496 HydrophobicContact CD2-CE1 4.33Å; I494-Y496 HydrophobicContact CB-CE2 4.27Å; I494-Y496 WeakPolarHBondContact CD1-OH 3.32Å; I494-Y496 HydrophobicContact CG2-CD1 4.36Å; I494-Y496 HydrophobicContact CG2-CE1 3.73Å; I494-Y496 HydrophobicContact CG2-CE2 3.93Å; I494-Y496 VanDerWaalsContact CG2-CZ 3.48Å; Y496-D508 WeakPolarHBondContact CE2-OD2 3.39Å; Y496-D508 PolarHBondContact N-O 2.92Å; Y496-V509 HydrophobicContact CD2-CG2 4.39Å; Y496-V509 CarbonylContact O-C 3.54Å; Y496-V509 WeakPolarHBondContact O-CA 3.47Å; Y496-V510 PolarHBondContact O-N 3.01Å
497	Y	91	Very high	81.1	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.6	-179.8	-71.7	-90.6	0	0	0	109.7	A468 S469 S471 L495 V510 L512 M520 V524	A468-Y497 HydrophobicContact CB-CD2 4.12Å; A468-Y497 HydrophobicContact CB-CE2 3.77Å; S469-Y497 PolarHBondContact O-N 3.04Å; S471-Y497 PolarHBondContact N-O 2.97Å; L495-Y497 HydrophobicContact CB-CD2 4.37Å; L495-Y497 HydrophobicContact CB-CE2 3.69Å; Y497-V510 WeakPolarHBondContact CA-O 3.27Å; Y497-V510 HydrophobicContact CD1-CB 3.74Å; Y497-V510 HydrophobicContact CD1-CG1 3.91Å; Y497-V510 HydrophobicContact CE1-CB 3.65Å; Y497-V510 HydrophobicContact CE1-CG1 3.64Å; Y497-V510 HydrophobicContact CE1-CG2 4.07Å; Y497-V510 HydrophobicContact CG-CB 4.48Å; Y497-L512 HydrophobicContact CD1-CD1 3.81Å; Y497-L512 HydrophobicContact CD1-CD2 4.13Å; Y497-L512 HydrophobicContact CD1-CG 4.01Å; Y497-L512 HydrophobicContact CG-CD1 4.38Å; Y497-M520 HydrophobicContact CD1-CB 4.41Å; Y497-M520 HydrophobicContact CD1-CG 4.14Å; Y497-M520 HydrophobicContact CD2-CG 3.49Å; Y497-M520 VanDerWaalsContact CD2-CG 3.49Å; Y497-M520 HydrophobicContact CD2-SD 3.5Å; Y497-M520 VanDerWaalsContact CD2-SD 3.5Å; Y497-M520 HydrophobicContact CE1-CG 4.49Å; Y497-M520 HydrophobicContact CE2-CG 3.92Å; Y497-M520 HydrophobicContact CE2-SD 4.31Å; Y497-M520 HydrophobicContact CG-CB 4.15Å; Y497-M520 HydrophobicContact CG-CG 3.6Å; Y497-M520 HydrophobicContact CG-SD 3.84Å; Y497-V524 HydrophobicContact CE2-CG2 3.96Å; Y497-V524 VanDerWaalsContact OH-CG2 3.29Å; Y497-V524 WeakPolarHBondContact OH-CG2 3.4Å
498	V	88.7	Confident	81	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.012	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.1	-168.3	-167.8	0	0	0	0	109.7	V502 V509 V510 S511 L512	V498-V502 HydrophobicContact CG1-CB 3.75Å; V498-V502 HydrophobicContact CG1-CG1 4.27Å; V498-V502 HydrophobicContact CG1-CG2 3.51Å; V498-V509 HydrophobicContact CG2-CG1 4Å; V498-V510 PolarHBondContact N-O 3.29Å; V498-V510 VanDerWaalsContact N-O 3.15Å; V498-S511 CarbonylContact O-C 3.59Å; V498-S511 WeakPolarHBondContact O-CA 3.21Å; V498-L512 PolarHBondContact O-N 2.85Å
499	G	84.4	Confident	81	Confident	13 Å²	13	70.4 Å²	70.4	13%	0.134	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	153.4	174.8	0	0	0	0	0	113.8	E501 V502 L512	G499-E501 PolarHBondContact O-N 2.89Å; G499-V502 PolarHBondContact O-N 3.36Å; G499-L512 CarbonylContact C-O 3.57Å
500	K	79.5	Confident	81.3	Confident	146 Å²	146	68.8 Å²	68.8	64%	0.635	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19.3	-179.7	-173.3	176.1	174.2	-171.3	0	115	V502 L512 L513	K500-V502 PolarHBondContact O-N 3.27Å; K500-L512 WeakPolarHBondContact CB-O 3.46Å; K500-L512 PolarHBondContact N-O 2.85Å; K500-L513 HydrophobicContact CD-CD2 3.82Å
501	E	74.6	Confident	81.4	Confident	168 Å²	168	69.9 Å²	69.9	79%	0.785	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.2	172.4	-65	166	-137	0	0	113.5	G499	G499-E501 PolarHBondContact O-N 2.89Å
502	V	70.6	Confident	81.8	Confident	19 Å²	19	62.3 Å²	62.3	12%	0.115	32%	0.319	C	S	.	.			trans	-94.1	104.4	-179.3	-178.7	0	0	0	0	110.1	R473 L476 V498 G499 K500 S511	R473-V502 HydrophobicContact CB-CG2 3.66Å; R473-V502 HydrophobicContact CG-CG2 3.77Å; L476-V502 HydrophobicContact CD2-CG1 4.41Å; V498-V502 HydrophobicContact CG1-CB 3.75Å; V498-V502 HydrophobicContact CG1-CG1 4.27Å; V498-V502 HydrophobicContact CG1-CG2 3.51Å; G499-V502 PolarHBondContact O-N 3.36Å; K500-V502 PolarHBondContact O-N 3.27Å; V502-S511 PolarHBondContact O-OG 3.06Å
503	T	69.1	Low	81.9	Confident	134 Å²	134	68.4 Å²	68.4	82%	0.822	35%	0.348	S	S	*	.			trans	-89.4	127.3	169.3	47.9	0	0	0	0	110.2
504	T	70.7	Confident	81.3	Confident	58 Å²	58	72.6 Å²	72.6	36%	0.356	36%	0.364	S	S	.	.			trans	-155.9	150.3	176.4	-176.2	0	0	0	0	110.9	R506 V509	T504-R506 VanDerWaalsContact C-N 3.28Å; T504-R506 HydrophobicContact CG2-CB 4.05Å; T504-R506 PolarHBondContact OG1-N 3.33Å; T504-V509 HydrophobicContact CG2-CB 3.71Å; T504-V509 HydrophobicContact CG2-CG1 3.69Å; T504-V509 HydrophobicContact CG2-CG2 4.09Å
505	N	71.5	Confident	80.8	Confident	160 Å²	160	74.5 Å²	74.5	86%	0.856	38%	0.377	S	S	*	.			trans	-89.5	6.1	175.4	-66.3	-10.1	0	0	0	112.5	R507	N505-R507 PolarHBondContact O-N 2.96Å
506	R	76.6	Confident	80.6	Confident	77 Å²	77	75.4 Å²	75.4	29%	0.291	38%	0.382	S	S	.	.			trans	-66.4	118.2	176	-88.9	-178.6	73.5	171.3	-0.3	111.2	T504 D508 V509	T504-R506 VanDerWaalsContact C-N 3.28Å; T504-R506 HydrophobicContact CG2-CB 4.05Å; T504-R506 PolarHBondContact OG1-N 3.33Å; R506-D508 VanDerWaalsContact CB-OD1 3.27Å; R506-D508 WeakPolarHBondContact CB-OD1 3.4Å; R506-D508 IonicContact CZ-OD2 2.73Å; R506-D508 IonicContact NE-OD1 3.84Å; R506-D508 PolarHBondContact NE-OD1 3.32Å; R506-D508 VanDerWaalsContact NE-OD1 3.13Å; R506-D508 IonicContact NE-OD2 2.7Å; R506-D508 PolarHBondContact NE-OD2 2.87Å; R506-D508 IonicContact NH2-OD1 2.65Å; R506-D508 IonicContact NH2-OD2 2.63Å; R506-D508 PolarHBondContact NH2-OD2 3.45Å; R506-D508 PolarHBondContact O-N 3.43Å; R506-V509 HydrophobicContact CB-CB 4.16Å; R506-V509 HydrophobicContact CB-CG2 3.65Å; R506-V509 PolarHBondContact O-N 3.39Å
507	R	77.1	Confident	80.5	Confident	249 Å²	249	75.7 Å²	75.7	94%	0.94	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.7	179.6	-62.7	-178.7	-177.2	172.4	1.1	113.7	N505	N505-R507 PolarHBondContact O-N 2.96Å
508	D	82.7	Confident	80.4	Confident	50 Å²	50	75.7 Å²	75.7	27%	0.267	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.9	179.1	61.7	-48.7	0	0	0	113.5	L495 Y496 R506	L495-D508 WeakPolarHBondContact CA-O 3.36Å; Y496-D508 WeakPolarHBondContact CE2-OD2 3.39Å; Y496-D508 PolarHBondContact N-O 2.92Å; R506-D508 VanDerWaalsContact CB-OD1 3.27Å; R506-D508 WeakPolarHBondContact CB-OD1 3.4Å; R506-D508 IonicContact CZ-OD2 2.73Å; R506-D508 IonicContact NE-OD1 3.84Å; R506-D508 PolarHBondContact NE-OD1 3.32Å; R506-D508 VanDerWaalsContact NE-OD1 3.13Å; R506-D508 IonicContact NE-OD2 2.7Å; R506-D508 PolarHBondContact NE-OD2 2.87Å; R506-D508 IonicContact NH2-OD1 2.65Å; R506-D508 IonicContact NH2-OD2 2.63Å; R506-D508 PolarHBondContact NH2-OD2 3.45Å; R506-D508 PolarHBondContact O-N 3.43Å
509	V	85.2	Confident	80.3	Confident	16 Å²	16	76.5 Å²	76.5	10%	0.097	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.1	179.6	-177.6	0	0	0	0	110.2	L476 Y496 V498 T504 R506	L476-V509 HydrophobicContact CD1-CG2 3.8Å; L476-V509 HydrophobicContact CD2-CG1 4.17Å; L476-V509 HydrophobicContact CD2-CG2 3.88Å; L476-V509 HydrophobicContact CG-CG2 4.48Å; Y496-V509 HydrophobicContact CD2-CG2 4.39Å; Y496-V509 CarbonylContact O-C 3.54Å; Y496-V509 WeakPolarHBondContact O-CA 3.47Å; V498-V509 HydrophobicContact CG2-CG1 4Å; T504-V509 HydrophobicContact CG2-CB 3.71Å; T504-V509 HydrophobicContact CG2-CG1 3.69Å; T504-V509 HydrophobicContact CG2-CG2 4.09Å; R506-V509 HydrophobicContact CB-CB 4.16Å; R506-V509 HydrophobicContact CB-CG2 3.65Å; R506-V509 PolarHBondContact O-N 3.39Å
510	V	85.9	Confident	80.6	Confident	41 Å²	41	75.9 Å²	75.9	25%	0.248	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	109.2	-178.1	-176.3	0	0	0	0	110.2	Y496 Y497 V498 L512	Y496-V510 PolarHBondContact O-N 3.01Å; Y497-V510 WeakPolarHBondContact CA-O 3.27Å; Y497-V510 HydrophobicContact CD1-CB 3.74Å; Y497-V510 HydrophobicContact CD1-CG1 3.91Å; Y497-V510 HydrophobicContact CE1-CB 3.65Å; Y497-V510 HydrophobicContact CE1-CG1 3.64Å; Y497-V510 HydrophobicContact CE1-CG2 4.07Å; Y497-V510 HydrophobicContact CG-CB 4.48Å; V498-V510 PolarHBondContact N-O 3.29Å; V498-V510 VanDerWaalsContact N-O 3.15Å; V510-L512 HydrophobicContact CG1-CD2 4.39Å
511	S	85	Confident	81.1	Confident	60 Å²	60	69 Å²	69	42%	0.42	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.4	179.1	-47.1	0	0	0	0	111.7	V498 V502	V498-S511 CarbonylContact O-C 3.59Å; V498-S511 WeakPolarHBondContact O-CA 3.21Å; V502-S511 PolarHBondContact O-OG 3.06Å
512	L	84.5	Confident	81.8	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.105	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152	177.1	-60.9	180	0	0	0	111.5	Y497 V498 G499 K500 V510 M520	Y497-L512 HydrophobicContact CD1-CD1 3.81Å; Y497-L512 HydrophobicContact CD1-CD2 4.13Å; Y497-L512 HydrophobicContact CD1-CG 4.01Å; Y497-L512 HydrophobicContact CG-CD1 4.38Å; V498-L512 PolarHBondContact O-N 2.85Å; G499-L512 CarbonylContact C-O 3.57Å; K500-L512 WeakPolarHBondContact CB-O 3.46Å; K500-L512 PolarHBondContact N-O 2.85Å; V510-L512 HydrophobicContact CG1-CD2 4.39Å; L512-M520 HydrophobicContact CD1-CB 4.36Å
513	L	80.8	Confident	82.6	Confident	148 Å²	148	62.4 Å²	62.4	78%	0.775	33%	0.325	S	S	*	.	S	Bend	trans	-65.5	-48.1	174.7	-76.8	164	0	0	0	111.9	K500	K500-L513 HydrophobicContact CD-CD2 3.82Å
514	E	77.9	Confident	83.6	Confident	115 Å²	115	56 Å²	56	54%	0.537	29%	0.286	S	S	.	.	S	Bend	trans	-125.4	103	174.6	-69	171.5	-157.8	0	0	107	N516 S519	E514-N516 PolarHBondContact O-N 2.85Å; E514-N516 VanDerWaalsContact O-N 3.13Å; E514-N516 PolarHBondContact O-ND2 2.95Å; E514-S519 PolarHBondContact O-OG 3.33Å
515	P	80.1	Confident	84.5	Confident	64 Å²	64	53.9 Å²	53.9	42%	0.416	27%	0.274	S	S	.	.			trans	-75.2	102.7	-176.6	29.7	-34.3	0	0	0	110.6	L470	L470-P515 HydrophobicContact CD1-CB 4.22Å
516	N	86.3	Confident	85.3	Confident	35 Å²	35	53.8 Å²	53.8	19%	0.187	26%	0.262	C	S	.	.			trans	-144.8	162.9	173.9	64.8	67.9	0	0	0	110.7	E514 L518 S519 M520	E514-N516 PolarHBondContact O-N 2.85Å; E514-N516 VanDerWaalsContact O-N 3.13Å; E514-N516 PolarHBondContact O-ND2 2.95Å; N516-L518 PolarHBondContact O-N 2.85Å; N516-L518 VanDerWaalsContact O-N 3.11Å; N516-L518 WeakPolarHBondContact OD1-CB 3.41Å; N516-L518 PolarHBondContact OD1-N 3.05Å; N516-L518 VanDerWaalsContact OD1-N 3.15Å; N516-S519 PolarHBondContact N-OG 2.92Å; N516-S519 VanDerWaalsContact N-OG 3.12Å; N516-S519 PolarHBondContact O-N 2.9Å; N516-S519 PolarHBondContact O-OG 3.31Å; N516-S519 PolarHBondContact OD1-N 3.33Å; N516-S519 PolarHBondContact OD1-OG 3.13Å; N516-M520 WeakPolarHBondContact O-CB 3.39Å; N516-M520 PolarHBondContact O-N 3.22Å
517	A	87.7	Confident	85.8	Confident	12 Å²	12	55 Å²	55	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-29.3	-175	0	0	0	0	0	113.8	L521 F575 I611	A517-L521 WeakPolarHBondContact O-CB 3.46Å; A517-L521 PolarHBondContact O-N 3.21Å; A517-F575 HydrophobicContact CB-CD1 3.78Å; A517-F575 HydrophobicContact CB-CD2 3.89Å; A517-F575 HydrophobicContact CB-CE1 3.77Å; A517-F575 HydrophobicContact CB-CE2 3.88Å; A517-F575 HydrophobicContact CB-CG 3.84Å; A517-F575 HydrophobicContact CB-CZ 3.83Å; A517-I611 HydrophobicContact CB-CB 4.5Å; A517-I611 HydrophobicContact CB-CG2 4.14Å
518	L	88.9	Confident	86.2	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-80.9	-40.3	-177.5	-172.2	62.3	0	0	0	112.1	N516 L521 E522 L593 C596 N600 Y609 C614	N516-L518 PolarHBondContact O-N 2.85Å; N516-L518 VanDerWaalsContact O-N 3.11Å; N516-L518 WeakPolarHBondContact OD1-CB 3.41Å; N516-L518 PolarHBondContact OD1-N 3.05Å; N516-L518 VanDerWaalsContact OD1-N 3.15Å; L518-L521 PolarHBondContact O-N 3.25Å; L518-E522 PolarHBondContact O-N 3.45Å; L518-L593 HydrophobicContact CD1-CD2 4.17Å; L518-C596 HydrophobicContact CD1-CB 3.83Å; L518-C596 HydrophobicContact CD2-CB 3.89Å; L518-C596 HydrophobicContact CG-CB 4.32Å; L518-N600 HydrophobicContact CD2-CB 4.05Å; L518-Y609 HydrophobicContact CD2-CD1 4.17Å; L518-C614 HydrophobicContact CD1-CB 4.14Å
519	S	87.6	Confident	86.2	Confident	19 Å²	19	45.2 Å²	45.2	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-70.1	-32.6	172.2	61.6	0	0	0	0	112.6	E514 N516 S523	E514-S519 PolarHBondContact O-OG 3.33Å; N516-S519 PolarHBondContact N-OG 2.92Å; N516-S519 VanDerWaalsContact N-OG 3.12Å; N516-S519 PolarHBondContact O-N 2.9Å; N516-S519 PolarHBondContact O-OG 3.31Å; N516-S519 PolarHBondContact OD1-N 3.33Å; N516-S519 PolarHBondContact OD1-OG 3.13Å; S519-S523 WeakPolarHBondContact O-CB 3.47Å; S519-S523 PolarHBondContact O-N 2.73Å
520	M	90.6	Very high	86	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-53.6	167.1	174.6	166.4	76.1	0	0	110.8	A468 L470 Y497 L512 N516 E522 S523 V524 L537 F575	A468-M520 HydrophobicContact CB-CE 4.49Å; A468-M520 HydrophobicContact CB-CG 4.17Å; A468-M520 HydrophobicContact CB-SD 3.89Å; L470-M520 HydrophobicContact CB-CE 4.01Å; L470-M520 HydrophobicContact CB-SD 4.06Å; Y497-M520 HydrophobicContact CD1-CB 4.41Å; Y497-M520 HydrophobicContact CD1-CG 4.14Å; Y497-M520 HydrophobicContact CD2-CG 3.49Å; Y497-M520 VanDerWaalsContact CD2-CG 3.49Å; Y497-M520 HydrophobicContact CD2-SD 3.5Å; Y497-M520 VanDerWaalsContact CD2-SD 3.5Å; Y497-M520 HydrophobicContact CE1-CG 4.49Å; Y497-M520 HydrophobicContact CE2-CG 3.92Å; Y497-M520 HydrophobicContact CE2-SD 4.31Å; Y497-M520 HydrophobicContact CG-CB 4.15Å; Y497-M520 HydrophobicContact CG-CG 3.6Å; Y497-M520 HydrophobicContact CG-SD 3.84Å; L512-M520 HydrophobicContact CD1-CB 4.36Å; N516-M520 WeakPolarHBondContact O-CB 3.39Å; N516-M520 PolarHBondContact O-N 3.22Å; M520-E522 VanDerWaalsContact C-N 3.34Å; M520-E522 PolarHBondContact O-N 2.92Å; M520-S523 PolarHBondContact O-N 3.43Å; M520-S523 VanDerWaalsContact O-N 3.12Å; M520-V524 WeakPolarHBondContact O-CG2 3.18Å; M520-V524 PolarHBondContact O-N 2.86Å; M520-L537 HydrophobicContact CE-CB 4.07Å; M520-L537 HydrophobicContact CE-CD2 4.34Å; M520-F575 HydrophobicContact CE-CE2 3.65Å; M520-F575 HydrophobicContact CE-CZ 3.76Å
521	L	90.4	Very high	86	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-40.8	177.6	176.1	53.1	0	0	0	112.4	A517 L518 S523 V524 A525 L537 F581 L586 L589 L593 I611	A517-L521 WeakPolarHBondContact O-CB 3.46Å; A517-L521 PolarHBondContact O-N 3.21Å; L518-L521 PolarHBondContact O-N 3.25Å; L521-S523 PolarHBondContact O-N 3.47Å; L521-V524 PolarHBondContact O-N 2.63Å; L521-A525 VanDerWaalsContact O-CB 3.22Å; L521-A525 WeakPolarHBondContact O-CB 3.28Å; L521-A525 PolarHBondContact O-N 2.93Å; L521-L537 HydrophobicContact CB-CD1 4.01Å; L521-L537 HydrophobicContact CD1-CD1 4.1Å; L521-L537 HydrophobicContact CD2-CD1 4.15Å; L521-L537 HydrophobicContact CG-CD1 4.3Å; L521-F581 HydrophobicContact CD1-CE1 4.5Å; L521-F581 HydrophobicContact CD1-CE2 4.47Å; L521-F581 HydrophobicContact CD1-CZ 4.31Å; L521-F581 HydrophobicContact CD2-CE1 4.26Å; L521-F581 HydrophobicContact CD2-CE2 4.4Å; L521-F581 HydrophobicContact CD2-CZ 3.76Å; L521-L586 HydrophobicContact CD1-CD1 3.38Å; L521-L589 HydrophobicContact CD2-CD2 4.1Å; L521-L593 HydrophobicContact CD1-CD1 4.32Å; L521-L593 HydrophobicContact CD2-CD2 3.71Å; L521-L593 HydrophobicContact CG-CD1 3.83Å; L521-L593 HydrophobicContact CG-CD2 3.83Å; L521-I611 HydrophobicContact CD2-CD1 3.61Å; L521-I611 HydrophobicContact CD2-CG1 4.13Å
522	E	88.6	Confident	86.2	Confident	34 Å²	34	47.7 Å²	47.7	16%	0.159	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-41.3	174.2	-164.4	-170.4	141.5	0	0	112	L518 M520 A525 R526 L593 T597	L518-E522 PolarHBondContact O-N 3.45Å; M520-E522 VanDerWaalsContact C-N 3.34Å; M520-E522 PolarHBondContact O-N 2.92Å; E522-A525 PolarHBondContact O-N 3.45Å; E522-R526 WeakPolarHBondContact O-CB 3.49Å; E522-R526 PolarHBondContact O-N 3.31Å; E522-R526 IonicContact OE1-CZ 2.91Å; E522-R526 IonicContact OE1-NE 3.29Å; E522-R526 IonicContact OE1-NH2 3.14Å; E522-R526 PolarHBondContact OE1-NH2 3.49Å; E522-L593 HydrophobicContact CB-CB 4.46Å; E522-L593 HydrophobicContact CG-CB 4.28Å; E522-T597 VanDerWaalsContact OE2-CB 3.24Å; E522-T597 WeakPolarHBondContact OE2-CB 3.41Å; E522-T597 WeakPolarHBondContact OE2-CG2 3.41Å; E522-T597 PolarHBondContact OE2-OG1 3.3Å
523	S	87.9	Confident	86.4	Confident	16 Å²	16	47.9 Å²	47.9	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-40.4	177.5	-170	0	0	0	0	112.4	S519 M520 L521 R526 N527	S519-S523 WeakPolarHBondContact O-CB 3.47Å; S519-S523 PolarHBondContact O-N 2.73Å; M520-S523 PolarHBondContact O-N 3.43Å; M520-S523 VanDerWaalsContact O-N 3.12Å; L521-S523 PolarHBondContact O-N 3.47Å; S523-R526 PolarHBondContact O-N 2.7Å; S523-N527 VanDerWaalsContact O-CB 3.24Å; S523-N527 WeakPolarHBondContact O-CB 3.42Å; S523-N527 PolarHBondContact O-N 2.95Å; S523-N527 PolarHBondContact O-ND2 3.04Å; S523-N527 VanDerWaalsContact O-ND2 3.13Å; S523-N527 PolarHBondContact OG-ND2 3.18Å; S523-N527 VanDerWaalsContact OG-ND2 3.13Å
524	V	90.6	Very high	86.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-49.5	172.1	174.2	0	0	0	0	110.5	L466 A468 Y497 M520 L521 R526 K528 A529 Y535 L586	L466-V524 HydrophobicContact CD2-CG1 4.29Å; A468-V524 HydrophobicContact CB-CG2 3.91Å; Y497-V524 HydrophobicContact CE2-CG2 3.96Å; Y497-V524 VanDerWaalsContact OH-CG2 3.29Å; Y497-V524 WeakPolarHBondContact OH-CG2 3.4Å; M520-V524 WeakPolarHBondContact O-CG2 3.18Å; M520-V524 PolarHBondContact O-N 2.86Å; L521-V524 PolarHBondContact O-N 2.63Å; V524-R526 VanDerWaalsContact C-N 3.32Å; V524-R526 PolarHBondContact O-N 2.94Å; V524-K528 CarbonylContact O-C 3.54Å; V524-K528 WeakPolarHBondContact O-CA 3.3Å; V524-K528 PolarHBondContact O-N 2.62Å; V524-A529 PolarHBondContact O-N 3.35Å; V524-Y535 HydrophobicContact CG1-CD1 3.37Å; V524-Y535 HydrophobicContact CG1-CE1 3.84Å; V524-Y535 HydrophobicContact CG1-CG 4.22Å; V524-L586 HydrophobicContact CG1-CD2 4.04Å
525	A	89.6	Confident	87.6	Confident	12 Å²	12	36 Å²	36	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-34.9	-179.8	0	0	0	0	0	113.4	L521 E522 A529 L586 A590 L593	L521-A525 VanDerWaalsContact O-CB 3.22Å; L521-A525 WeakPolarHBondContact O-CB 3.28Å; L521-A525 PolarHBondContact O-N 2.93Å; E522-A525 PolarHBondContact O-N 3.45Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; A525-L586 HydrophobicContact CB-CD1 3.86Å; A525-L586 HydrophobicContact CB-CG 4.31Å; A525-A590 HydrophobicContact CB-CB 4.02Å; A525-L593 HydrophobicContact CB-CD1 3.43Å; A525-L593 VanDerWaalsContact CB-CD1 3.43Å
526	R	87	Confident	88.3	Confident	159 Å²	159	33 Å²	33	60%	0.6	17%	0.171	S	C	*	.	H	α-helix	trans	-82.4	-37.3	-178.7	-171.5	-177.2	-66.1	-90.1	5.9	113.1	E522 S523 V524	E522-R526 WeakPolarHBondContact O-CB 3.49Å; E522-R526 PolarHBondContact O-N 3.31Å; E522-R526 IonicContact OE1-CZ 2.91Å; E522-R526 IonicContact OE1-NE 3.29Å; E522-R526 IonicContact OE1-NH2 3.14Å; E522-R526 PolarHBondContact OE1-NH2 3.49Å; S523-R526 PolarHBondContact O-N 2.7Å; V524-R526 VanDerWaalsContact C-N 3.32Å; V524-R526 PolarHBondContact O-N 2.94Å
527	N	87.1	Confident	88.6	Confident	103 Å²	103	31.3 Å²	31.3	55%	0.551	16%	0.163	S	C	*	.	H	α-helix	trans	-113	-15.8	-166.5	-55.7	-44.4	0	0	0	114.6	S523	S523-N527 VanDerWaalsContact O-CB 3.24Å; S523-N527 WeakPolarHBondContact O-CB 3.42Å; S523-N527 PolarHBondContact O-N 2.95Å; S523-N527 PolarHBondContact O-ND2 3.04Å; S523-N527 VanDerWaalsContact O-ND2 3.13Å; S523-N527 PolarHBondContact OG-ND2 3.18Å; S523-N527 VanDerWaalsContact OG-ND2 3.13Å
528	K	85.5	Confident	88.9	Confident	83 Å²	83	30.8 Å²	30.8	36%	0.361	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-1.3	-172.7	-65.6	-66.6	-177.4	167.4	0	115.1	L466 L495 V524 D530 A531 F532 Y535	L466-K528 HydrophobicContact CD2-CB 3.98Å; L466-K528 HydrophobicContact CD2-CG 4.21Å; L495-K528 HydrophobicContact CD1-CD 4.44Å; L495-K528 HydrophobicContact CD1-CG 4.08Å; V524-K528 CarbonylContact O-C 3.54Å; V524-K528 WeakPolarHBondContact O-CA 3.3Å; V524-K528 PolarHBondContact O-N 2.62Å; K528-D530 PolarHBondContact O-N 2.8Å; K528-A531 PolarHBondContact O-N 3.09Å; K528-A531 VanDerWaalsContact O-N 3.08Å; K528-F532 HydrophobicContact CD-CE2 4.33Å; K528-Y535 HydrophobicContact CB-CE1 4.45Å; K528-Y535 PolarHBondContact O-OH 2.98Å
529	A	82.6	Confident	89.1	Confident	9 Å²	9	31.8 Å²	31.8	7%	0.074	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-7.8	-174.2	0	0	0	0	0	116.7	V524 A525 Y535 N583 L586 K587	V524-A529 PolarHBondContact O-N 3.35Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; A529-Y535 WeakPolarHBondContact CA-OH 3.42Å; A529-Y535 PolarHBondContact O-OH 2.91Å; A529-N583 PolarHBondContact O-ND2 3.08Å; A529-L586 HydrophobicContact CB-CD2 3.9Å; A529-L586 HydrophobicContact CB-CG 4.46Å; A529-K587 WeakPolarHBondContact O-CE 3.49Å; A529-K587 PolarHBondContact O-NZ 3.06Å
530	D	82.3	Confident	89	Confident	117 Å²	117	33 Å²	33	63%	0.626	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-9.1	174.1	-80.4	-57.9	0	0	0	114.3	R462 K528 K587	R462-D530 VanDerWaalsContact CD-O 3.24Å; R462-D530 WeakPolarHBondContact CD-O 3.48Å; R462-D530 WeakPolarHBondContact CG-O 3.42Å; R462-D530 PolarHBondContact NE-O 2.82Å; K528-D530 PolarHBondContact O-N 2.8Å; D530-K587 VanDerWaalsContact OD1-CE 3.29Å; D530-K587 WeakPolarHBondContact OD1-CE 3.35Å; D530-K587 IonicContact OD1-NZ 2.72Å; D530-K587 PolarHBondContact OD1-NZ 2.87Å
531	A	85.2	Confident	88.8	Confident	42 Å²	42	34.7 Å²	34.7	35%	0.347	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-19.6	-172.1	0	0	0	0	0	114.9	R462 E463 K528	R462-A531 VanDerWaalsContact CA-O 3.31Å; R462-A531 WeakPolarHBondContact CA-O 3.43Å; R462-A531 VanDerWaalsContact CB-O 3.32Å; R462-A531 WeakPolarHBondContact CB-O 3.4Å; E463-A531 PolarHBondContact N-O 3.41Å; K528-A531 PolarHBondContact O-N 3.09Å; K528-A531 VanDerWaalsContact O-N 3.08Å
532	F	89	Confident	88.7	Confident	10 Å²	10	34.9 Å²	34.9	4%	0.044	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151	-175.2	-57.9	-93.3	0	0	0	112.7	R462 E463 L466 A493 K528 Y535 N583	R462-F532 WeakPolarHBondContact CD-O 3.46Å; E463-F532 HydrophobicContact CB-CD1 3.48Å; E463-F532 VanDerWaalsContact CB-CD1 3.48Å; E463-F532 HydrophobicContact CB-CE1 3.42Å; E463-F532 VanDerWaalsContact CB-CE1 3.42Å; E463-F532 HydrophobicContact CB-CZ 4.42Å; E463-F532 HydrophobicContact CG-CE1 4.29Å; E463-F532 WeakPolarHBondContact O-CA 3.41Å; E463-F532 WeakPolarHBondContact O-CD1 3.43Å; E463-F532 WeakPolarHBondContact OE2-CE1 3.38Å; L466-F532 HydrophobicContact CB-CB 4.2Å; L466-F532 HydrophobicContact CB-CD1 3.67Å; L466-F532 HydrophobicContact CB-CD2 3.63Å; L466-F532 HydrophobicContact CB-CE1 3.88Å; L466-F532 HydrophobicContact CB-CE2 3.85Å; L466-F532 HydrophobicContact CB-CG 3.55Å; L466-F532 HydrophobicContact CB-CZ 3.98Å; L466-F532 HydrophobicContact CD1-CE2 4.48Å; L466-F532 HydrophobicContact CD1-CZ 4.39Å; L466-F532 HydrophobicContact CD2-CD2 3.93Å; L466-F532 HydrophobicContact CD2-CE2 3.85Å; L466-F532 HydrophobicContact CG-CD2 4.37Å; L466-F532 HydrophobicContact CG-CE2 4.28Å; A493-F532 HydrophobicContact CB-CE1 3.49Å; A493-F532 VanDerWaalsContact CB-CE1 3.49Å; A493-F532 HydrophobicContact CB-CZ 3.77Å; K528-F532 HydrophobicContact CD-CE2 4.33Å; F532-Y535 HydrophobicContact CB-CD1 4.45Å; F532-Y535 HydrophobicContact CB-CE1 3.83Å; F532-Y535 HydrophobicContact CB-CE2 4.14Å; F532-Y535 AromaticContact CD2-CE1 4Å; F532-Y535 HydrophobicContact CD2-CE1 4Å; F532-Y535 HydrophobicContact CG-CE1 4.31Å; F532-Y535 PolarHBondContact N-OH 3.2Å; F532-Y535 VanDerWaalsContact O-CE2 3.26Å; F532-Y535 WeakPolarHBondContact O-CE2 3.47Å; F532-Y535 PolarHBondContact O-OH 3.49Å; F532-N583 PolarHBondContact O-ND2 2.86Å
533	D	88.1	Confident	88.8	Confident	24 Å²	24	33.4 Å²	33.4	13%	0.128	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-33.7	174.9	-65.9	-43.6	0	0	0	112.5	R462 E463 A558 N583	R462-D533 WeakPolarHBondContact CD-OD1 3.43Å; R462-D533 IonicContact CZ-OD1 3.58Å; R462-D533 IonicContact NE-OD1 2.69Å; R462-D533 IonicContact NH1-OD1 2.72Å; R462-D533 PolarHBondContact NH1-OD1 3.11Å; E463-D533 PolarHBondContact O-N 3.45Å; E463-D533 VanDerWaalsContact O-N 3.13Å; D533-A558 HydrophobicContact CB-CB 4.01Å; D533-A558 WeakPolarHBondContact OD1-CB 3.36Å; D533-N583 WeakPolarHBondContact O-CB 3.45Å; D533-N583 PolarHBondContact O-N 3.08Å
534	F	91.5	Very high	88.9	Confident	13 Å²	13	32.7 Å²	32.7	6%	0.057	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.5	177.9	-59.2	-81.4	0	0	0	112.4	R464 L465 L466 L553 M556 T557 L580 F581	R464-F534 WeakPolarHBondContact O-CB 3.39Å; R464-F534 WeakPolarHBondContact O-CD2 3.44Å; R464-F534 PolarHBondContact O-N 3.01Å; L465-F534 WeakPolarHBondContact CA-O 3.27Å; L465-F534 HydrophobicContact CD1-CB 3.62Å; L466-F534 PolarHBondContact N-O 3Å; F534-L553 HydrophobicContact CB-CD2 4.31Å; F534-L553 HydrophobicContact CD1-CD2 4.32Å; F534-L553 HydrophobicContact CD2-CD2 3.95Å; F534-L553 HydrophobicContact CE2-CD2 4.36Å; F534-L553 HydrophobicContact CG-CD2 3.93Å; F534-M556 HydrophobicContact CE1-CB 4.17Å; F534-M556 HydrophobicContact CE1-SD 4.29Å; F534-M556 HydrophobicContact CE2-CB 4.48Å; F534-M556 HydrophobicContact CZ-CB 3.67Å; F534-T557 WeakPolarHBondContact CZ-O 3.32Å; F534-L580 HydrophobicContact CB-CD1 4.13Å; F534-F581 WeakPolarHBondContact CA-O 3.49Å
535	Y	93	Very high	89	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	117.7	-176.3	-58.2	-96.5	0	0	0	110	L466 V524 K528 A529 F532 L580 F581 N583 L586	L466-Y535 HydrophobicContact CB-CD1 4.08Å; L466-Y535 HydrophobicContact CB-CE1 4.44Å; L466-Y535 HydrophobicContact CD2-CD1 3.99Å; L466-Y535 HydrophobicContact CD2-CE1 4.13Å; L466-Y535 HydrophobicContact CG-CD1 4.42Å; L466-Y535 CarbonylContact O-C 3.49Å; L466-Y535 WeakPolarHBondContact O-CA 3.41Å; V524-Y535 HydrophobicContact CG1-CD1 3.37Å; V524-Y535 HydrophobicContact CG1-CE1 3.84Å; V524-Y535 HydrophobicContact CG1-CG 4.22Å; K528-Y535 HydrophobicContact CB-CE1 4.45Å; K528-Y535 PolarHBondContact O-OH 2.98Å; A529-Y535 WeakPolarHBondContact CA-OH 3.42Å; A529-Y535 PolarHBondContact O-OH 2.91Å; F532-Y535 HydrophobicContact CB-CD1 4.45Å; F532-Y535 HydrophobicContact CB-CE1 3.83Å; F532-Y535 HydrophobicContact CB-CE2 4.14Å; F532-Y535 AromaticContact CD2-CE1 4Å; F532-Y535 HydrophobicContact CD2-CE1 4Å; F532-Y535 HydrophobicContact CG-CE1 4.31Å; F532-Y535 PolarHBondContact N-OH 3.2Å; F532-Y535 VanDerWaalsContact O-CE2 3.26Å; F532-Y535 WeakPolarHBondContact O-CE2 3.47Å; F532-Y535 PolarHBondContact O-OH 3.49Å; Y535-L580 CarbonylContact O-C 3.57Å; Y535-L580 WeakPolarHBondContact O-CA 3.21Å; Y535-F581 PolarHBondContact N-O 2.94Å; Y535-F581 PolarHBondContact O-N 3.36Å; Y535-N583 HydrophobicContact CE2-CB 4.31Å; Y535-N583 PolarHBondContact OH-ND2 2.72Å; Y535-L586 HydrophobicContact CD1-CD2 3.83Å; Y535-L586 HydrophobicContact CD2-CB 4.39Å; Y535-L586 HydrophobicContact CD2-CD2 3.59Å; Y535-L586 HydrophobicContact CE1-CD2 3.78Å; Y535-L586 HydrophobicContact CE2-CD2 3.58Å; Y535-L586 HydrophobicContact CG-CD2 3.73Å
536	L	94.1	Very high	89	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.7	-177.6	175.7	52.6	0	0	0	110.5	L465 L466 I467 A468 I538 L549 F566 L580	L465-L536 HydrophobicContact CD1-CB 4Å; L465-L536 HydrophobicContact CD2-CB 4.49Å; L465-L536 HydrophobicContact CD2-CD2 4.44Å; L466-L536 PolarHBondContact O-N 2.87Å; I467-L536 WeakPolarHBondContact CA-O 3.29Å; I467-L536 HydrophobicContact CG1-CB 4.46Å; A468-L536 PolarHBondContact N-O 2.83Å; L536-I538 HydrophobicContact CD1-CD1 4.11Å; L536-I538 HydrophobicContact CD1-CG1 3.86Å; L536-I538 HydrophobicContact CD2-CD1 3.72Å; L536-I538 HydrophobicContact CD2-CG1 4.4Å; L536-I538 HydrophobicContact CG-CD1 3.57Å; L536-I538 HydrophobicContact CG-CG1 3.76Å; L536-L549 HydrophobicContact CD2-CD1 4.25Å; L536-L549 HydrophobicContact CD2-CD2 3.56Å; L536-F566 HydrophobicContact CD1-CE2 3.64Å; L536-F566 HydrophobicContact CD1-CZ 4Å; L536-F566 HydrophobicContact CD2-CE2 4.28Å; L536-L580 HydrophobicContact CB-CD1 3.89Å; L536-L580 HydrophobicContact CD1-CB 4.28Å
537	L	94.2	Very high	89.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.6	178.7	-48.1	-177.3	0	0	0	110.3	A468 M520 L521 F575 G578 I579 F581 I611	A468-L537 HydrophobicContact CB-CD2 3.84Å; A468-L537 WeakPolarHBondContact O-CA 3.36Å; M520-L537 HydrophobicContact CE-CB 4.07Å; M520-L537 HydrophobicContact CE-CD2 4.34Å; L521-L537 HydrophobicContact CB-CD1 4.01Å; L521-L537 HydrophobicContact CD1-CD1 4.1Å; L521-L537 HydrophobicContact CD2-CD1 4.15Å; L521-L537 HydrophobicContact CG-CD1 4.3Å; L537-F575 HydrophobicContact CB-CD2 4.27Å; L537-F575 HydrophobicContact CB-CE2 3.97Å; L537-G578 VanDerWaalsContact O-CA 3.29Å; L537-G578 WeakPolarHBondContact O-CA 3.41Å; L537-I579 PolarHBondContact N-O 3.28Å; L537-I579 PolarHBondContact O-N 3.21Å; L537-F581 HydrophobicContact CD1-CD2 4.26Å; L537-F581 HydrophobicContact CD1-CE2 3.57Å; L537-F581 HydrophobicContact CD1-CZ 4.33Å; L537-F581 HydrophobicContact CG-CD2 4.31Å; L537-F581 HydrophobicContact CG-CE2 4.06Å; L537-I611 HydrophobicContact CD1-CD1 3.49Å; L537-I611 VanDerWaalsContact CD1-CD1 3.49Å
538	I	93.1	Very high	89.1	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144.8	-177.7	-48.2	158.6	0	0	0	111	I467 A468 S469 L470 L536 V544	I467-I538 HydrophobicContact CG2-CD1 4.11Å; A468-I538 PolarHBondContact O-N 3.26Å; A468-I538 VanDerWaalsContact O-N 3.09Å; S469-I538 WeakPolarHBondContact CA-O 3.4Å; L470-I538 PolarHBondContact N-O 2.91Å; L536-I538 HydrophobicContact CD1-CD1 4.11Å; L536-I538 HydrophobicContact CD1-CG1 3.86Å; L536-I538 HydrophobicContact CD2-CD1 3.72Å; L536-I538 HydrophobicContact CD2-CG1 4.4Å; L536-I538 HydrophobicContact CG-CD1 3.57Å; L536-I538 HydrophobicContact CG-CG1 3.76Å; I538-V544 HydrophobicContact CD1-CG2 3.27Å
539	P	92.2	Very high	89.4	Confident	23 Å²	23	18.8 Å²	18.8	15%	0.149	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	159.3	167.8	32.2	-37.3	0	0	0	113.1	A541 S542 F575	P539-A541 PolarHBondContact O-N 3.09Å; P539-A541 VanDerWaalsContact O-N 3.11Å; P539-S542 PolarHBondContact O-N 2.9Å; P539-F575 HydrophobicContact CB-CE1 3.81Å; P539-F575 HydrophobicContact CB-CZ 4.14Å; P539-F575 WeakPolarHBondContact CD-O 3.48Å; P539-F575 HydrophobicContact CG-CE1 4.22Å
540	E	86.9	Confident	89.8	Confident	46 Å²	46	20 Å²	20	22%	0.215	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.2	176.5	64.5	-176.2	-179.5	0	0	116.1	L470 S471 S472 G475 F479 S542 H664	L470-E540 PolarHBondContact O-N 3.19Å; S471-E540 VanDerWaalsContact CA-OE2 3.3Å; S471-E540 WeakPolarHBondContact CA-OE2 3.41Å; S472-E540 WeakPolarHBondContact CB-OE1 3.43Å; S472-E540 PolarHBondContact N-OE1 3.34Å; S472-E540 PolarHBondContact N-OE2 3.34Å; S472-E540 VanDerWaalsContact OG-CD 3.28Å; S472-E540 PolarHBondContact OG-OE1 3.45Å; S472-E540 PolarHBondContact OG-OE2 3.39Å; G475-E540 WeakPolarHBondContact CA-OE2 3.34Å; F479-E540 HydrophobicContact CB-CB 4.03Å; F479-E540 WeakPolarHBondContact CD1-O 3.2Å; F479-E540 HydrophobicContact CD2-CB 4.25Å; F479-E540 HydrophobicContact CD2-CG 4.34Å; F479-E540 HydrophobicContact CG-CB 4.2Å; E540-S542 VanDerWaalsContact C-N 3.33Å; E540-S542 PolarHBondContact O-N 3.1Å; E540-H664 PolarHBondContact O-CE1 3.34Å
541	A	85.5	Confident	90	Very high	34 Å²	34	18.9 Å²	18.9	28%	0.281	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	14.3	-179.3	0	0	0	0	0	114.5	P539 R657 A658	P539-A541 PolarHBondContact O-N 3.09Å; P539-A541 VanDerWaalsContact O-N 3.11Å; A541-R657 CarbonylContact O-C 3.59Å; A541-R657 WeakPolarHBondContact O-CA 3.19Å; A541-R657 PolarHBondContact O-N 3.24Å; A541-A658 PolarHBondContact O-N 3.44Å
542	S	89.1	Confident	90.2	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.028	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117.3	-176.7	-69.1	0	0	0	0	112.2	P539 E540 E576 V655	P539-S542 PolarHBondContact O-N 2.9Å; E540-S542 VanDerWaalsContact C-N 3.33Å; E540-S542 PolarHBondContact O-N 3.1Å; S542-E576 WeakPolarHBondContact CB-O 3.44Å; S542-E576 PolarHBondContact OG-O 2.91Å; S542-V655 CarbonylContact C-O 3.54Å; S542-V655 WeakPolarHBondContact CA-O 3.29Å
543	Y	90.6	Very high	90.2	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.012	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	148.3	178.5	171.5	-89	0	0	0	111.5	A486 N545 T654 V655 H664 L667 N668 F671	A486-Y543 HydrophobicContact CB-CD2 4.36Å; A486-Y543 HydrophobicContact CB-CE2 3.62Å; Y543-N545 HydrophobicContact CE1-CB 4.23Å; Y543-T654 CarbonylContact O-C 3.59Å; Y543-T654 WeakPolarHBondContact O-CA 3.36Å; Y543-T654 WeakPolarHBondContact O-CB 3.49Å; Y543-V655 HydrophobicContact CD1-CB 4.46Å; Y543-V655 HydrophobicContact CD1-CG2 4.25Å; Y543-V655 PolarHBondContact N-O 3.41Å; Y543-V655 PolarHBondContact O-N 3.42Å; Y543-H664 AromaticContact CD2-CD2 3.92Å; Y543-L667 HydrophobicContact CD1-CB 4.07Å; Y543-L667 HydrophobicContact CD1-CD1 4.12Å; Y543-L667 HydrophobicContact CD2-CB 4.05Å; Y543-L667 HydrophobicContact CD2-CD1 4.45Å; Y543-L667 HydrophobicContact CE1-CB 4.24Å; Y543-L667 HydrophobicContact CE2-CB 4.22Å; Y543-L667 HydrophobicContact CG-CB 3.99Å; Y543-L667 HydrophobicContact CG-CD1 3.8Å; Y543-N668 HydrophobicContact CE2-CB 3.89Å; Y543-N668 PolarHBondContact OH-OD1 2.97Å; Y543-F671 HydrophobicContact CD1-CD2 4.23Å; Y543-F671 AromaticContact CD1-CE2 3.99Å; Y543-F671 HydrophobicContact CD1-CE2 3.99Å; Y543-F671 AromaticContact CE1-CD2 3.35Å; Y543-F671 HydrophobicContact CE1-CD2 3.35Å; Y543-F671 AromaticContact CE1-CE2 3.53Å; Y543-F671 HydrophobicContact CE1-CE2 3.53Å; Y543-F671 HydrophobicContact CE1-CG 4.43Å; Y543-F671 AromaticContact CZ-CD2 3.88Å
544	V	90.5	Very high	90.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.4	179	-171.3	0	0	0	0	110.5	L483 I538 A546 L549 T654	L483-V544 HydrophobicContact CD1-CB 4.34Å; L483-V544 HydrophobicContact CD1-CG2 3.72Å; I538-V544 HydrophobicContact CD1-CG2 3.27Å; V544-A546 PolarHBondContact O-N 3.19Å; V544-L549 HydrophobicContact CG1-CD2 3.9Å; V544-T654 HydrophobicContact CG2-CG2 4.45Å
545	N	91.7	Very high	89.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.129	C	C	.	.			trans	-79.5	96.5	168.2	-179.9	-2.3	0	0	0	109.3	Y543 F547 A548 L549 S650 I652 L653	Y543-N545 HydrophobicContact CE1-CB 4.23Å; N545-F547 PolarHBondContact O-N 2.82Å; N545-F547 WeakPolarHBondContact OD1-CB 3.33Å; N545-F547 PolarHBondContact OD1-N 2.74Å; N545-F547 VanDerWaalsContact OD1-N 3.15Å; N545-A548 HydrophobicContact CB-CB 4.1Å; N545-A548 WeakPolarHBondContact ND2-CB 3.4Å; N545-A548 PolarHBondContact O-N 3.45Å; N545-A548 PolarHBondContact OD1-N 2.85Å; N545-L549 WeakPolarHBondContact O-CB 3.49Å; N545-L549 PolarHBondContact O-N 3.21Å; N545-S650 PolarHBondContact ND2-O 3.42Å; N545-I652 WeakPolarHBondContact CB-O 3.28Å; N545-I652 PolarHBondContact ND2-O 3.31Å; N545-L653 PolarHBondContact N-O 2.79Å
546	A	89.2	Confident	89.7	Confident	3 Å²	3	27.1 Å²	27.1	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-25.8	-178.3	0	0	0	0	0	113.7	A486 V544 D550	A486-A546 WeakPolarHBondContact O-CB 3.44Å; V544-A546 PolarHBondContact O-N 3.19Å; A546-D550 WeakPolarHBondContact O-CB 3.43Å; A546-D550 PolarHBondContact O-N 2.67Å
547	F	89.5	Confident	89.2	Confident	53 Å²	53	31 Å²	31	23%	0.232	16%	0.156	C	C	.	.	H	α-helix	trans	-70.9	-45.7	177.8	-54	-79	0	0	0	110.9	P489 N545 L549 K551 A672 E675	P489-F547 HydrophobicContact CB-CD1 4.47Å; P489-F547 HydrophobicContact CB-CE1 3.92Å; P489-F547 HydrophobicContact CB-CZ 4.39Å; P489-F547 HydrophobicContact CG-CE1 3.86Å; P489-F547 HydrophobicContact CG-CZ 3.81Å; N545-F547 PolarHBondContact O-N 2.82Å; N545-F547 WeakPolarHBondContact OD1-CB 3.33Å; N545-F547 PolarHBondContact OD1-N 2.74Å; N545-F547 VanDerWaalsContact OD1-N 3.15Å; F547-L549 VanDerWaalsContact C-N 3.34Å; F547-K551 WeakPolarHBondContact O-CB 3.46Å; F547-K551 WeakPolarHBondContact O-CD 3.44Å; F547-K551 VanDerWaalsContact O-CG 3.22Å; F547-K551 WeakPolarHBondContact O-CG 3.42Å; F547-K551 PolarHBondContact O-N 3.4Å; F547-K551 VanDerWaalsContact O-N 3.09Å; F547-A672 HydrophobicContact CE2-CB 4.41Å; F547-E675 HydrophobicContact CB-CG 3.77Å; F547-E675 WeakPolarHBondContact CB-OE1 3.28Å; F547-E675 HydrophobicContact CD1-CB 4.43Å; F547-E675 HydrophobicContact CD1-CG 4.25Å; F547-E675 HydrophobicContact CD2-CB 4.46Å; F547-E675 HydrophobicContact CD2-CG 3.85Å; F547-E675 HydrophobicContact CE2-CG 4.49Å; F547-E675 HydrophobicContact CG-CB 4.33Å; F547-E675 HydrophobicContact CG-CG 3.71Å
548	A	88.2	Confident	88.3	Confident	7 Å²	7	31.8 Å²	31.8	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-41.2	171.7	0	0	0	0	0	112.1	N545 K551 L552 S650 L653	N545-A548 HydrophobicContact CB-CB 4.1Å; N545-A548 WeakPolarHBondContact ND2-CB 3.4Å; N545-A548 PolarHBondContact O-N 3.45Å; N545-A548 PolarHBondContact OD1-N 2.85Å; A548-K551 PolarHBondContact O-N 3.11Å; A548-L552 WeakPolarHBondContact O-CB 3.47Å; A548-L552 PolarHBondContact O-N 3.45Å; A548-S650 WeakPolarHBondContact CB-O 3.5Å; A548-L653 HydrophobicContact CB-CD2 3.78Å; A548-L653 HydrophobicContact CB-CG 4.44Å
549	L	90.6	Very high	87.6	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-66.2	-41.4	-179.4	-175.1	60.8	0	0	0	112.6	L465 M490 L536 V544 N545 F547 L552 L553 F566	L465-L549 HydrophobicContact CD2-CD2 3.8Å; M490-L549 HydrophobicContact CE-CD2 4.34Å; M490-L549 HydrophobicContact SD-CG 4.29Å; L536-L549 HydrophobicContact CD2-CD1 4.25Å; L536-L549 HydrophobicContact CD2-CD2 3.56Å; V544-L549 HydrophobicContact CG1-CD2 3.9Å; N545-L549 WeakPolarHBondContact O-CB 3.49Å; N545-L549 PolarHBondContact O-N 3.21Å; F547-L549 VanDerWaalsContact C-N 3.34Å; L549-L552 PolarHBondContact O-N 2.84Å; L549-L553 HydrophobicContact CD1-CD1 4.14Å; L549-L553 HydrophobicContact CD1-CG 4.22Å; L549-L553 HydrophobicContact CG-CD1 3.96Å; L549-L553 HydrophobicContact CG-CG 4.45Å; L549-L553 WeakPolarHBondContact O-CB 3.24Å; L549-L553 VanDerWaalsContact O-CG 3.28Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 2.94Å; L549-F566 HydrophobicContact CD1-CZ 4.25Å
550	D	90.4	Very high	87.2	Confident	35 Å²	35	35.1 Å²	35.1	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-44.7	174.2	-175.7	38.8	0	0	0	111.5	M490 A546 L552 L553 R554	M490-D550 HydrophobicContact CG-CB 3.79Å; M490-D550 HydrophobicContact SD-CB 3.74Å; A546-D550 WeakPolarHBondContact O-CB 3.43Å; A546-D550 PolarHBondContact O-N 2.67Å; D550-L552 VanDerWaalsContact C-N 3.28Å; D550-L552 PolarHBondContact O-N 3.29Å; D550-L553 PolarHBondContact O-N 3.11Å; D550-R554 WeakPolarHBondContact O-CB 3.43Å; D550-R554 VanDerWaalsContact O-CG 3.23Å; D550-R554 WeakPolarHBondContact O-CG 3.43Å; D550-R554 PolarHBondContact O-N 3.33Å; D550-R554 IonicContact OD1-CZ 2.82Å; D550-R554 IonicContact OD1-NE 3.43Å; D550-R554 PolarHBondContact OD1-NE 2.88Å; D550-R554 IonicContact OD1-NH2 2.73Å; D550-R554 IonicContact OD2-CZ 3.57Å; D550-R554 IonicContact OD2-NE 3.29Å; D550-R554 PolarHBondContact OD2-NE 2.83Å; D550-R554 IonicContact OD2-NH2 3.59Å; D550-R554 PolarHBondContact OD2-NH2 2.99Å
551	K	87.9	Confident	87.1	Confident	93 Å²	93	37.5 Å²	37.5	40%	0.404	20%	0.203	S	C	.	.	H	α-helix	trans	-54.9	-44.6	173.4	-73.1	168.6	-176.2	177	0	111.3	F547 A548 E675	F547-K551 WeakPolarHBondContact O-CB 3.46Å; F547-K551 WeakPolarHBondContact O-CD 3.44Å; F547-K551 VanDerWaalsContact O-CG 3.22Å; F547-K551 WeakPolarHBondContact O-CG 3.42Å; F547-K551 PolarHBondContact O-N 3.4Å; F547-K551 VanDerWaalsContact O-N 3.09Å; A548-K551 PolarHBondContact O-N 3.11Å; K551-E675 IonicContact NZ-OE1 3.55Å; K551-E675 PolarHBondContact NZ-OE1 3.27Å; K551-E675 IonicContact NZ-OE2 2.65Å; K551-E675 PolarHBondContact NZ-OE2 3.2Å
552	L	88.8	Confident	87.1	Confident	13 Å²	13	37.3 Å²	37.3	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-52.1	177.2	179.8	67.1	0	0	0	112.2	A548 L549 D550 R554 T555 M556 F566 W628 L633 L653	A548-L552 WeakPolarHBondContact O-CB 3.47Å; A548-L552 PolarHBondContact O-N 3.45Å; L549-L552 PolarHBondContact O-N 2.84Å; D550-L552 VanDerWaalsContact C-N 3.28Å; D550-L552 PolarHBondContact O-N 3.29Å; L552-R554 VanDerWaalsContact C-N 3.28Å; L552-R554 PolarHBondContact O-N 2.95Å; L552-T555 WeakPolarHBondContact O-CB 3.32Å; L552-T555 PolarHBondContact O-N 3.16Å; L552-T555 PolarHBondContact O-OG1 2.73Å; L552-M556 HydrophobicContact CD1-CE 3.61Å; L552-M556 HydrophobicContact CD2-CE 4.09Å; L552-M556 HydrophobicContact CG-CE 3.64Å; L552-F566 HydrophobicContact CD2-CE1 4.34Å; L552-W628 HydrophobicContact CD1-CB 4.43Å; L552-W628 HydrophobicContact CD1-CG 4.46Å; L552-L633 HydrophobicContact CD1-CD2 3.71Å; L552-L633 HydrophobicContact CD2-CD2 3.85Å; L552-L633 HydrophobicContact CG-CD2 4.46Å; L552-L653 HydrophobicContact CB-CD2 4.19Å; L552-L653 HydrophobicContact CD2-CD1 3.86Å; L552-L653 HydrophobicContact CD2-CD2 3.83Å
553	L	89	Confident	87.1	Confident	15 Å²	15	37.2 Å²	37.2	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-32.6	-176.6	-72.8	171.5	0	0	0	112.3	L465 M490 F534 L549 D550 T555 M556 L580	L465-L553 HydrophobicContact CB-CD1 4.33Å; L465-L553 HydrophobicContact CD1-CD1 4.32Å; L465-L553 HydrophobicContact CD2-CD1 4.09Å; L465-L553 HydrophobicContact CG-CD1 4.48Å; M490-L553 HydrophobicContact CE-CD1 3.97Å; M490-L553 HydrophobicContact SD-CD1 4.01Å; F534-L553 HydrophobicContact CB-CD2 4.31Å; F534-L553 HydrophobicContact CD1-CD2 4.32Å; F534-L553 HydrophobicContact CD2-CD2 3.95Å; F534-L553 HydrophobicContact CE2-CD2 4.36Å; F534-L553 HydrophobicContact CG-CD2 3.93Å; L549-L553 HydrophobicContact CD1-CD1 4.14Å; L549-L553 HydrophobicContact CD1-CG 4.22Å; L549-L553 HydrophobicContact CG-CD1 3.96Å; L549-L553 HydrophobicContact CG-CG 4.45Å; L549-L553 WeakPolarHBondContact O-CB 3.24Å; L549-L553 VanDerWaalsContact O-CG 3.28Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 2.94Å; D550-L553 PolarHBondContact O-N 3.11Å; L553-T555 PolarHBondContact O-N 2.84Å; L553-T555 VanDerWaalsContact O-N 3.1Å; L553-M556 HydrophobicContact CD2-SD 4.34Å; L553-M556 PolarHBondContact O-N 2.82Å; L553-L580 HydrophobicContact CD2-CD2 4.14Å
554	R	86.6	Confident	86.9	Confident	170 Å²	170	37.2 Å²	37.2	64%	0.642	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.3	171.8	-72.7	172.8	-169.5	-120.7	10.8	114.3	D550 L552	D550-R554 WeakPolarHBondContact O-CB 3.43Å; D550-R554 VanDerWaalsContact O-CG 3.23Å; D550-R554 WeakPolarHBondContact O-CG 3.43Å; D550-R554 PolarHBondContact O-N 3.33Å; D550-R554 IonicContact OD1-CZ 2.82Å; D550-R554 IonicContact OD1-NE 3.43Å; D550-R554 PolarHBondContact OD1-NE 2.88Å; D550-R554 IonicContact OD1-NH2 2.73Å; D550-R554 IonicContact OD2-CZ 3.57Å; D550-R554 IonicContact OD2-NE 3.29Å; D550-R554 PolarHBondContact OD2-NE 2.83Å; D550-R554 IonicContact OD2-NH2 3.59Å; D550-R554 PolarHBondContact OD2-NH2 2.99Å; L552-R554 VanDerWaalsContact C-N 3.28Å; L552-R554 PolarHBondContact O-N 2.95Å
555	T	87.7	Confident	86.8	Confident	50 Å²	50	37.1 Å²	37.1	31%	0.307	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.9	173.9	75.6	0	0	0	0	113.9	L552 L553 W628 K629	L552-T555 WeakPolarHBondContact O-CB 3.32Å; L552-T555 PolarHBondContact O-N 3.16Å; L552-T555 PolarHBondContact O-OG1 2.73Å; L553-T555 PolarHBondContact O-N 2.84Å; L553-T555 VanDerWaalsContact O-N 3.1Å; T555-W628 VanDerWaalsContact OG1-CD1 3.3Å; T555-W628 PolarHBondContact OG1-NE1 3.29Å; T555-K629 PolarHBondContact O-NZ 2.9Å
556	M	87.7	Confident	86.6	Confident	17 Å²	17	37.1 Å²	37.1	8%	0.084	20%	0.196	C	C	.	.			trans	-116	163.9	-175.1	-60.5	176.8	-178.2	0	0	111.2	F534 L552 L553 L564 L580 W628	F534-M556 HydrophobicContact CE1-CB 4.17Å; F534-M556 HydrophobicContact CE1-SD 4.29Å; F534-M556 HydrophobicContact CE2-CB 4.48Å; F534-M556 HydrophobicContact CZ-CB 3.67Å; L552-M556 HydrophobicContact CD1-CE 3.61Å; L552-M556 HydrophobicContact CD2-CE 4.09Å; L552-M556 HydrophobicContact CG-CE 3.64Å; L553-M556 HydrophobicContact CD2-SD 4.34Å; L553-M556 PolarHBondContact O-N 2.82Å; M556-L564 HydrophobicContact CE-CD1 3.35Å; M556-L564 HydrophobicContact SD-CD1 4.18Å; M556-L580 HydrophobicContact SD-CD2 4.42Å; M556-W628 HydrophobicContact CE-CB 4.3Å; M556-W628 VanDerWaalsContact CE-CD1 3.44Å; M556-W628 HydrophobicContact CE-CD2 4Å; M556-W628 HydrophobicContact CE-CG 3.67Å; M556-W628 HydrophobicContact CG-CZ2 3.9Å
557	T	84.1	Confident	86.3	Confident	80 Å²	80	37.3 Å²	37.3	49%	0.491	20%	0.197	S	C	.	.			trans	-130.2	155.3	179.4	70.3	0	0	0	0	111.5	F534 G559 D560	F534-T557 WeakPolarHBondContact CZ-O 3.32Å; T557-G559 PolarHBondContact O-N 3.12Å; T557-G559 VanDerWaalsContact O-N 3.1Å; T557-D560 WeakPolarHBondContact CA-OD2 3.43Å; T557-D560 WeakPolarHBondContact CB-OD2 3.35Å; T557-D560 PolarHBondContact N-OD2 2.73Å; T557-D560 WeakPolarHBondContact O-CB 3.42Å; T557-D560 PolarHBondContact O-N 2.92Å; T557-D560 VanDerWaalsContact O-N 3.08Å; T557-D560 VanDerWaalsContact OG1-CG 3.31Å; T557-D560 PolarHBondContact OG1-OD2 3.47Å
558	A	75.6	Confident	85.7	Confident	17 Å²	17	42 Å²	42	14%	0.14	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	178	0	0	0	0	0	113.8	D533	D533-A558 HydrophobicContact CB-CB 4.01Å; D533-A558 WeakPolarHBondContact OD1-CB 3.36Å
559	G	76.8	Confident	84.9	Confident	51 Å²	51	45.6 Å²	45.6	53%	0.526	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.5	176.3	0	0	0	0	0	114.9	T557	T557-G559 PolarHBondContact O-N 3.12Å; T557-G559 VanDerWaalsContact O-N 3.1Å
560	D	84.4	Confident	83.8	Confident	43 Å²	43	49.5 Å²	49.5	23%	0.23	28%	0.281	C	S	.	.			trans	-68.9	142.9	-175.7	-71.1	-57.8	0	0	0	111.9	T557 L562 S582 S584	T557-D560 WeakPolarHBondContact CA-OD2 3.43Å; T557-D560 WeakPolarHBondContact CB-OD2 3.35Å; T557-D560 PolarHBondContact N-OD2 2.73Å; T557-D560 WeakPolarHBondContact O-CB 3.42Å; T557-D560 PolarHBondContact O-N 2.92Å; T557-D560 VanDerWaalsContact O-N 3.08Å; T557-D560 VanDerWaalsContact OG1-CG 3.31Å; T557-D560 PolarHBondContact OG1-OD2 3.47Å; D560-L562 HydrophobicContact CB-CD1 3.75Å; D560-L562 HydrophobicContact CB-CG 3.99Å; D560-S582 VanDerWaalsContact O-CB 3.26Å; D560-S582 WeakPolarHBondContact O-CB 3.4Å; D560-S582 PolarHBondContact O-OG 2.88Å; D560-S584 PolarHBondContact O-OG 3.38Å; D560-S584 VanDerWaalsContact O-OG 3.05Å
561	H	85.9	Confident	83.1	Confident	97 Å²	97	51.1 Å²	51.1	45%	0.449	30%	0.295	S	S	.	.			trans	-109.1	86.9	-179.8	-167	61.8	0	0	0	110.2	S584 A585	H561-S584 WeakPolarHBondContact CA-OG 3.25Å; H561-S584 PolarHBondContact CE1-O 2.91Å; H561-S584 WeakPolarHBondContact ND1-CB 3.4Å; H561-S584 PolarHBondContact ND1-OG 3.14Å; H561-A585 PolarHBondContact ND1-N 2.63Å
562	L	84.9	Confident	82.5	Confident	29 Å²	29	52.3 Å²	52.3	15%	0.152	30%	0.302	C	S	.	.			trans	-134	140	-165.7	-60.5	172.6	0	0	0	111.8	D560 L564 S582 A585 W628	D560-L562 HydrophobicContact CB-CD1 3.75Å; D560-L562 HydrophobicContact CB-CG 3.99Å; L562-L564 HydrophobicContact CB-CG 4.24Å; L562-L564 HydrophobicContact CD1-CD1 4.42Å; L562-S582 PolarHBondContact N-OG 3.46Å; L562-S582 PolarHBondContact O-N 2.92Å; L562-A585 WeakPolarHBondContact O-CB 3.34Å; L562-W628 HydrophobicContact CD1-CE3 4.04Å; L562-W628 HydrophobicContact CD1-CH2 3.6Å; L562-W628 HydrophobicContact CD1-CZ2 4.13Å; L562-W628 HydrophobicContact CD1-CZ3 3.56Å; L562-W628 HydrophobicContact CD2-CE3 4.32Å; L562-W628 HydrophobicContact CD2-CH2 4.4Å; L562-W628 HydrophobicContact CD2-CZ3 3.72Å; L562-W628 HydrophobicContact CG-CZ3 4.29Å
563	L	88.3	Confident	82.2	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.5	164.8	176	54.3	0	0	0	106.5	I579 F581 I615 L622 C624 V625	L563-I579 HydrophobicContact CD1-CG2 3.49Å; L563-I579 VanDerWaalsContact CD1-CG2 3.49Å; L563-F581 HydrophobicContact CD1-CD1 3.61Å; L563-F581 HydrophobicContact CD1-CD2 3.91Å; L563-F581 HydrophobicContact CD1-CE1 3.5Å; L563-F581 VanDerWaalsContact CD1-CE1 3.5Å; L563-F581 HydrophobicContact CD1-CE2 3.81Å; L563-F581 HydrophobicContact CD1-CG 3.8Å; L563-F581 HydrophobicContact CD1-CZ 3.6Å; L563-F581 HydrophobicContact CD2-CE1 4.3Å; L563-I615 HydrophobicContact CD2-CD1 4.11Å; L563-I615 HydrophobicContact CD2-CG1 4.04Å; L563-I615 HydrophobicContact CD2-CG2 3.7Å; L563-L622 HydrophobicContact CD2-CB 4.17Å; L563-C624 HydrophobicContact CD2-CB 4.04Å; L563-C624 HydrophobicContact CG-CB 3.88Å; L563-C624 WeakPolarHBondContact O-CA 3.45Å; L563-V625 PolarHBondContact O-N 3.44Å
564	L	87.8	Confident	82	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.4	-173.3	-59.4	178	0	0	0	110.2	M556 L562 I579 L580 V625 L633	M556-L564 HydrophobicContact CE-CD1 3.35Å; M556-L564 HydrophobicContact SD-CD1 4.18Å; L562-L564 HydrophobicContact CB-CG 4.24Å; L562-L564 HydrophobicContact CD1-CD1 4.42Å; L564-I579 CarbonylContact O-C 3.56Å; L564-I579 WeakPolarHBondContact O-CA 3.5Å; L564-L580 HydrophobicContact CB-CB 4.32Å; L564-L580 HydrophobicContact CD1-CD2 4.38Å; L564-L580 PolarHBondContact N-O 3.23Å; L564-L580 PolarHBondContact O-N 3.15Å; L564-V625 VanDerWaalsContact CA-O 3.3Å; L564-V625 WeakPolarHBondContact CA-O 3.32Å; L564-V625 HydrophobicContact CD2-CB 3.93Å; L564-L633 HydrophobicContact CB-CD1 3.77Å; L564-L633 HydrophobicContact CD1-CD1 4Å; L564-L633 HydrophobicContact CD2-CD1 4.04Å; L564-L633 HydrophobicContact CG-CD1 4.14Å
565	G	86.9	Confident	82.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139	172.8	0	0	0	0	0	110.3	A567 C573 V625 V626	G565-A567 PolarHBondContact O-N 2.79Å; G565-C573 VanDerWaalsContact CA-SG 3.58Å; G565-V625 PolarHBondContact N-O 3.19Å; G565-V626 WeakPolarHBondContact O-CA 3.08Å
566	F	87.4	Confident	82.1	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	29%	0.291	C	S	.	.			trans	-84.6	106.8	-178.3	-50.7	-32.8	0	0	0	108.9	L536 L549 L552 S577 G578 L580 L633 S635 L653 T654	L536-F566 HydrophobicContact CD1-CE2 3.64Å; L536-F566 HydrophobicContact CD1-CZ 4Å; L536-F566 HydrophobicContact CD2-CE2 4.28Å; L549-F566 HydrophobicContact CD1-CZ 4.25Å; L552-F566 HydrophobicContact CD2-CE1 4.34Å; F566-S577 WeakPolarHBondContact CD2-O 3.24Å; F566-S577 WeakPolarHBondContact O-CB 3.47Å; F566-S577 PolarHBondContact O-OG 3.48Å; F566-G578 PolarHBondContact N-O 3.47Å; F566-L580 HydrophobicContact CE1-CB 4.29Å; F566-L580 HydrophobicContact CZ-CB 4.1Å; F566-L580 HydrophobicContact CZ-CD2 4.47Å; F566-L633 CarbonylContact C-O 3.58Å; F566-L633 VanDerWaalsContact C-O 3.31Å; F566-L633 WeakPolarHBondContact CA-O 3.33Å; F566-L633 HydrophobicContact CD1-CB 4.05Å; F566-L633 HydrophobicContact CD1-CD1 4.44Å; F566-S635 VanDerWaalsContact O-CB 3.26Å; F566-S635 WeakPolarHBondContact O-CB 3.23Å; F566-L653 HydrophobicContact CD1-CB 4.48Å; F566-L653 HydrophobicContact CD1-CD1 3.74Å; F566-L653 HydrophobicContact CD2-CB 4.23Å; F566-L653 HydrophobicContact CE1-CD1 3.94Å; F566-L653 HydrophobicContact CE2-CB 4.47Å; F566-L653 HydrophobicContact CG-CB 4.22Å; F566-L653 HydrophobicContact CG-CD1 4.25Å; F566-T654 HydrophobicContact CD2-CG2 3.58Å; F566-T654 HydrophobicContact CE2-CG2 4.01Å
567	A	83.6	Confident	82	Confident	7 Å²	7	47.8 Å²	47.8	6%	0.058	29%	0.289	C	S	.	.			trans	-157.2	170.7	-175.8	0	0	0	0	0	111.6	G565 V626 L633	G565-A567 PolarHBondContact O-N 2.79Å; A567-V626 HydrophobicContact CB-CB 4.33Å; A567-V626 HydrophobicContact CB-CG1 3.9Å; A567-L633 PolarHBondContact N-O 3.09Å
568	K	77	Confident	82.2	Confident	150 Å²	150	44 Å²	44	65%	0.652	27%	0.265	S	S	*	.			trans	-71.4	146.2	169.3	-64.9	-167.3	177	-169.2	0	110.2	G570 S571	K568-G570 PolarHBondContact O-N 3.16Å; K568-S571 WeakPolarHBondContact O-CB 3.38Å; K568-S571 PolarHBondContact O-N 3.44Å
569	P	70.5	Confident	83	Confident	83 Å²	83	43.2 Å²	43.2	54%	0.539	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	139	177.5	-30.8	37.2	0	0	0	113.4	S571 P632	P569-S571 PolarHBondContact O-N 2.88Å; P569-P632 HydrophobicContact CG-CB 3.79Å
570	G	68.3	Low	83.7	Confident	84 Å²	84	40.9 Å²	40.9	87%	0.866	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-4.8	-175.6	0	0	0	0	0	115.4	K568	K568-G570 PolarHBondContact O-N 3.16Å
571	S	75.2	Confident	84.1	Confident	68 Å²	68	38.9 Å²	38.9	48%	0.476	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-81.6	162.9	170.7	-152.8	0	0	0	0	111.9	K568 P569	K568-S571 WeakPolarHBondContact O-CB 3.38Å; K568-S571 PolarHBondContact O-N 3.44Å; P569-S571 PolarHBondContact O-N 2.88Å
572	Q	75.6	Confident	84.3	Confident	119 Å²	119	34.3 Å²	34.3	56%	0.556	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-91.2	147.2	172.8	-64.9	-176.8	9.3	0	0	109.9	T574	Q572-T574 PolarHBondContact O-N 2.93Å
573	C	82.9	Confident	84.5	Confident	12 Å²	12	33.5 Å²	33.5	8%	0.081	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-61.1	129.2	176.3	-56.8	0	0	0	0	111.2	G565 E612 C624	G565-C573 VanDerWaalsContact CA-SG 3.58Å; C573-E612 WeakPolarHBondContact O-CG 3.2Å; C573-C624 HydrophobicContact CB-CB 3.91Å; C573-C624 WeakPolarHBondContact CB-SG 3.29Å; C573-C624 WeakPolarHBondContact SG-CB 3.46Å; C573-C624 CovalentContact SG-SG 2.02Å; C573-C624 PolarHBondContact SG-SG 3.2Å
574	T	85.7	Confident	84.5	Confident	53 Å²	53	35.2 Å²	35.2	33%	0.325	21%	0.211	S	C	.	.			trans	-121.1	145.1	177.9	52.2	0	0	0	0	111.2	Q572 E576 S577 G578	Q572-T574 PolarHBondContact O-N 2.93Å; T574-E576 PolarHBondContact O-N 3.4Å; T574-S577 PolarHBondContact O-N 2.9Å; T574-S577 PolarHBondContact O-OG 2.96Å; T574-S577 PolarHBondContact OG1-OG 2.69Å; T574-G578 PolarHBondContact O-N 2.81Å
575	F	87.8	Confident	84.5	Confident	26 Å²	26	35.1 Å²	35.1	11%	0.114	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.3	-32.1	172.7	178.1	-116	0	0	0	112.2	L470 A517 M520 L537 P539 S577 G578 I579 I611 E612	L470-F575 HydrophobicContact CB-CE1 4.45Å; L470-F575 HydrophobicContact CB-CZ 3.94Å; L470-F575 HydrophobicContact CD2-CE1 4.03Å; L470-F575 HydrophobicContact CD2-CZ 4.24Å; A517-F575 HydrophobicContact CB-CD1 3.78Å; A517-F575 HydrophobicContact CB-CD2 3.89Å; A517-F575 HydrophobicContact CB-CE1 3.77Å; A517-F575 HydrophobicContact CB-CE2 3.88Å; A517-F575 HydrophobicContact CB-CG 3.84Å; A517-F575 HydrophobicContact CB-CZ 3.83Å; M520-F575 HydrophobicContact CE-CE2 3.65Å; M520-F575 HydrophobicContact CE-CZ 3.76Å; L537-F575 HydrophobicContact CB-CD2 4.27Å; L537-F575 HydrophobicContact CB-CE2 3.97Å; P539-F575 HydrophobicContact CB-CE1 3.81Å; P539-F575 HydrophobicContact CB-CZ 4.14Å; P539-F575 WeakPolarHBondContact CD-O 3.48Å; P539-F575 HydrophobicContact CG-CE1 4.22Å; F575-S577 PolarHBondContact O-N 2.85Å; F575-G578 PolarHBondContact O-N 3.18Å; F575-G578 VanDerWaalsContact O-N 3.15Å; F575-I579 HydrophobicContact CB-CD1 4.45Å; F575-I611 HydrophobicContact CB-CG2 3.79Å; F575-I611 HydrophobicContact CG-CG2 4.39Å; F575-E612 WeakPolarHBondContact CB-OE1 3.25Å; F575-E612 PolarHBondContact N-OE1 3.42Å
576	E	87.5	Confident	84.6	Confident	74 Å²	74	35.1 Å²	35.1	35%	0.346	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-50.5	-44.2	177.3	-167.7	-176.3	167.5	0	0	111.9	S542 T574 T656 R657	S542-E576 WeakPolarHBondContact CB-O 3.44Å; S542-E576 PolarHBondContact OG-O 2.91Å; T574-E576 PolarHBondContact O-N 3.4Å; E576-T656 HydrophobicContact CG-CG2 4.12Å; E576-T656 WeakPolarHBondContact O-CG2 3.19Å; E576-R657 VanDerWaalsContact OE1-CG 3.25Å; E576-R657 WeakPolarHBondContact OE1-CG 3.44Å; E576-R657 IonicContact OE1-CZ 3.23Å; E576-R657 VanDerWaalsContact OE1-CZ 3.26Å; E576-R657 IonicContact OE1-NE 2.69Å; E576-R657 PolarHBondContact OE1-NE 2.98Å; E576-R657 IonicContact OE1-NH2 3.09Å; E576-R657 PolarHBondContact OE1-NH2 2.93Å; E576-R657 IonicContact OE2-NH2 3.22Å; E576-R657 PolarHBondContact OE2-NH2 2.83Å; E576-R657 VanDerWaalsContact OE2-NH2 3.09Å
577	S	85.5	Confident	84.6	Confident	5 Å²	5	38.6 Å²	38.6	4%	0.035	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-91.5	-10.4	-177.5	57.5	0	0	0	0	115.5	F566 T574 F575 S635 T654 T656	F566-S577 WeakPolarHBondContact CD2-O 3.24Å; F566-S577 WeakPolarHBondContact O-CB 3.47Å; F566-S577 PolarHBondContact O-OG 3.48Å; T574-S577 PolarHBondContact O-N 2.9Å; T574-S577 PolarHBondContact O-OG 2.96Å; T574-S577 PolarHBondContact OG1-OG 2.69Å; F575-S577 PolarHBondContact O-N 2.85Å; S577-S635 WeakPolarHBondContact CB-OG 3.38Å; S577-T654 WeakPolarHBondContact O-CB 3.26Å; S577-T654 WeakPolarHBondContact O-CG2 3.34Å; S577-T654 PolarHBondContact O-OG1 3.42Å; S577-T656 VanDerWaalsContact CA-CG2 3.48Å
578	G	88.7	Confident	84.7	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.			trans	100.3	139.9	179.2	0	0	0	0	0	113.8	L537 F566 T574 F575	L537-G578 VanDerWaalsContact O-CA 3.29Å; L537-G578 WeakPolarHBondContact O-CA 3.41Å; F566-G578 PolarHBondContact N-O 3.47Å; T574-G578 PolarHBondContact O-N 2.81Å; F575-G578 PolarHBondContact O-N 3.18Å; F575-G578 VanDerWaalsContact O-N 3.15Å
579	I	92.1	Very high	85.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.4	-178	-52	177.3	0	0	0	109.7	L537 L563 L564 F575 F581 I611 I615	L537-I579 PolarHBondContact N-O 3.28Å; L537-I579 PolarHBondContact O-N 3.21Å; L563-I579 HydrophobicContact CD1-CG2 3.49Å; L563-I579 VanDerWaalsContact CD1-CG2 3.49Å; L564-I579 CarbonylContact O-C 3.56Å; L564-I579 WeakPolarHBondContact O-CA 3.5Å; F575-I579 HydrophobicContact CB-CD1 4.45Å; I579-F581 HydrophobicContact CB-CE2 4.14Å; I579-F581 HydrophobicContact CG2-CD2 4.03Å; I579-F581 HydrophobicContact CG2-CE2 3.47Å; I579-F581 VanDerWaalsContact CG2-CE2 3.47Å; I579-F581 HydrophobicContact CG2-CZ 4.09Å; I579-I611 HydrophobicContact CD1-CD1 4.27Å; I579-I611 HydrophobicContact CD1-CG2 4.37Å; I579-I615 HydrophobicContact CD1-CD1 4.17Å
580	L	92.4	Very high	86	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.3	-179.4	-177.4	70.5	0	0	0	110.5	L465 F534 Y535 L536 L553 M556 L564 F566	L465-L580 HydrophobicContact CD1-CD1 3.76Å; F534-L580 HydrophobicContact CB-CD1 4.13Å; Y535-L580 CarbonylContact O-C 3.57Å; Y535-L580 WeakPolarHBondContact O-CA 3.21Å; L536-L580 HydrophobicContact CB-CD1 3.89Å; L536-L580 HydrophobicContact CD1-CB 4.28Å; L553-L580 HydrophobicContact CD2-CD2 4.14Å; M556-L580 HydrophobicContact SD-CD2 4.42Å; L564-L580 HydrophobicContact CB-CB 4.32Å; L564-L580 HydrophobicContact CD1-CD2 4.38Å; L564-L580 PolarHBondContact N-O 3.23Å; L564-L580 PolarHBondContact O-N 3.15Å; F566-L580 HydrophobicContact CE1-CB 4.29Å; F566-L580 HydrophobicContact CZ-CB 4.1Å; F566-L580 HydrophobicContact CZ-CD2 4.47Å
581	F	91.6	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.7	174.4	-65.8	-109.8	0	0	0	109.8	L521 F534 Y535 L537 L563 I579 L586 L589 I611 I615	L521-F581 HydrophobicContact CD1-CE1 4.5Å; L521-F581 HydrophobicContact CD1-CE2 4.47Å; L521-F581 HydrophobicContact CD1-CZ 4.31Å; L521-F581 HydrophobicContact CD2-CE1 4.26Å; L521-F581 HydrophobicContact CD2-CE2 4.4Å; L521-F581 HydrophobicContact CD2-CZ 3.76Å; F534-F581 WeakPolarHBondContact CA-O 3.49Å; Y535-F581 PolarHBondContact N-O 2.94Å; Y535-F581 PolarHBondContact O-N 3.36Å; L537-F581 HydrophobicContact CD1-CD2 4.26Å; L537-F581 HydrophobicContact CD1-CE2 3.57Å; L537-F581 HydrophobicContact CD1-CZ 4.33Å; L537-F581 HydrophobicContact CG-CD2 4.31Å; L537-F581 HydrophobicContact CG-CE2 4.06Å; L563-F581 HydrophobicContact CD1-CD1 3.61Å; L563-F581 HydrophobicContact CD1-CD2 3.91Å; L563-F581 HydrophobicContact CD1-CE1 3.5Å; L563-F581 VanDerWaalsContact CD1-CE1 3.5Å; L563-F581 HydrophobicContact CD1-CE2 3.81Å; L563-F581 HydrophobicContact CD1-CG 3.8Å; L563-F581 HydrophobicContact CD1-CZ 3.6Å; L563-F581 HydrophobicContact CD2-CE1 4.3Å; I579-F581 HydrophobicContact CB-CE2 4.14Å; I579-F581 HydrophobicContact CG2-CD2 4.03Å; I579-F581 HydrophobicContact CG2-CE2 3.47Å; I579-F581 VanDerWaalsContact CG2-CE2 3.47Å; I579-F581 HydrophobicContact CG2-CZ 4.09Å; F581-L586 HydrophobicContact CB-CB 4.38Å; F581-L589 HydrophobicContact CE1-CD2 3.8Å; F581-L589 HydrophobicContact CZ-CD2 4.42Å; F581-I611 HydrophobicContact CZ-CD1 4.47Å; F581-I615 HydrophobicContact CZ-CD1 4.34Å
582	S	91.2	Very high	87.2	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	159.3	160	79.4	0	0	0	0	111.3	D560 L562 S584 A585 L586	D560-S582 VanDerWaalsContact O-CB 3.26Å; D560-S582 WeakPolarHBondContact O-CB 3.4Å; D560-S582 PolarHBondContact O-OG 2.88Å; L562-S582 PolarHBondContact N-OG 3.46Å; L562-S582 PolarHBondContact O-N 2.92Å; S582-S584 PolarHBondContact O-N 3.23Å; S582-S584 PolarHBondContact OG-OG 3.3Å; S582-A585 PolarHBondContact O-N 2.99Å; S582-L586 PolarHBondContact O-N 2.84Å
583	N	89.2	Confident	87.6	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.064	15%	0.145	C	C	.	.	H	α-helix	trans	-51.6	-42.4	-179.9	-172.3	-82	0	0	0	112.9	A529 F532 D533 Y535 K587	A529-N583 PolarHBondContact O-ND2 3.08Å; F532-N583 PolarHBondContact O-ND2 2.86Å; D533-N583 WeakPolarHBondContact O-CB 3.45Å; D533-N583 PolarHBondContact O-N 3.08Å; Y535-N583 HydrophobicContact CE2-CB 4.31Å; Y535-N583 PolarHBondContact OH-ND2 2.72Å; N583-K587 WeakPolarHBondContact O-CB 3.5Å; N583-K587 WeakPolarHBondContact O-CG 3.42Å; N583-K587 PolarHBondContact O-N 2.93Å; N583-K587 VanDerWaalsContact O-N 3.08Å; N583-K587 WeakPolarHBondContact OD1-CD 3.3Å; N583-K587 WeakPolarHBondContact OD1-CE 3.29Å; N583-K587 PolarHBondContact OD1-NZ 2.65Å
584	S	87.6	Confident	87.7	Confident	39 Å²	39	29 Å²	29	27%	0.273	16%	0.164	S	C	.	.	H	α-helix	trans	-71	-35.2	-179.9	65.6	0	0	0	0	112.4	D560 H561 S582 A588	D560-S584 PolarHBondContact O-OG 3.38Å; D560-S584 VanDerWaalsContact O-OG 3.05Å; H561-S584 WeakPolarHBondContact CA-OG 3.25Å; H561-S584 PolarHBondContact CE1-O 2.91Å; H561-S584 WeakPolarHBondContact ND1-CB 3.4Å; H561-S584 PolarHBondContact ND1-OG 3.14Å; S582-S584 PolarHBondContact O-N 3.23Å; S582-S584 PolarHBondContact OG-OG 3.3Å; S584-A588 PolarHBondContact O-N 2.81Å
585	A	88.3	Confident	87.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.7	-45.9	174	0	0	0	0	0	111.7	H561 L562 S582 K587 A588 L589 L622	H561-A585 PolarHBondContact ND1-N 2.63Å; L562-A585 WeakPolarHBondContact O-CB 3.34Å; S582-A585 PolarHBondContact O-N 2.99Å; A585-K587 VanDerWaalsContact C-N 3.3Å; A585-K587 PolarHBondContact O-N 3.4Å; A585-A588 PolarHBondContact O-N 2.94Å; A585-L589 PolarHBondContact O-N 2.83Å; A585-L589 VanDerWaalsContact O-N 3.1Å; A585-L622 HydrophobicContact CB-CD1 4.36Å; A585-L622 HydrophobicContact CB-CD2 3.69Å; A585-L622 WeakPolarHBondContact O-CD1 3.43Å
586	L	89.2	Confident	87.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.5	-45.2	174.9	-179.1	64.5	0	0	0	111.4	L521 V524 A525 A529 Y535 F581 S582 L589 A590	L521-L586 HydrophobicContact CD1-CD1 3.38Å; V524-L586 HydrophobicContact CG1-CD2 4.04Å; A525-L586 HydrophobicContact CB-CD1 3.86Å; A525-L586 HydrophobicContact CB-CG 4.31Å; A529-L586 HydrophobicContact CB-CD2 3.9Å; A529-L586 HydrophobicContact CB-CG 4.46Å; Y535-L586 HydrophobicContact CD1-CD2 3.83Å; Y535-L586 HydrophobicContact CD2-CB 4.39Å; Y535-L586 HydrophobicContact CD2-CD2 3.59Å; Y535-L586 HydrophobicContact CE1-CD2 3.78Å; Y535-L586 HydrophobicContact CE2-CD2 3.58Å; Y535-L586 HydrophobicContact CG-CD2 3.73Å; F581-L586 HydrophobicContact CB-CB 4.38Å; S582-L586 PolarHBondContact O-N 2.84Å; L586-L589 PolarHBondContact O-N 3.24Å; L586-A590 WeakPolarHBondContact O-CB 3.35Å; L586-A590 PolarHBondContact O-N 3.06Å
587	K	87.4	Confident	87.2	Confident	74 Å²	74	27.7 Å²	27.7	32%	0.322	16%	0.156	S	C	.	.	H	α-helix	trans	-68.3	-33	178.2	-77.8	172.5	175.1	157.8	0	114.2	A529 D530 N583 A585 L589 P591	A529-K587 WeakPolarHBondContact O-CE 3.49Å; A529-K587 PolarHBondContact O-NZ 3.06Å; D530-K587 VanDerWaalsContact OD1-CE 3.29Å; D530-K587 WeakPolarHBondContact OD1-CE 3.35Å; D530-K587 IonicContact OD1-NZ 2.72Å; D530-K587 PolarHBondContact OD1-NZ 2.87Å; N583-K587 WeakPolarHBondContact O-CB 3.5Å; N583-K587 WeakPolarHBondContact O-CG 3.42Å; N583-K587 PolarHBondContact O-N 2.93Å; N583-K587 VanDerWaalsContact O-N 3.08Å; N583-K587 WeakPolarHBondContact OD1-CD 3.3Å; N583-K587 WeakPolarHBondContact OD1-CE 3.29Å; N583-K587 PolarHBondContact OD1-NZ 2.65Å; A585-K587 VanDerWaalsContact C-N 3.3Å; A585-K587 PolarHBondContact O-N 3.4Å; K587-L589 VanDerWaalsContact C-N 3.34Å; K587-P591 VanDerWaalsContact O-CD 3.32Å; K587-P591 WeakPolarHBondContact O-CD 3.46Å
588	A	86	Confident	87	Confident	35 Å²	35	30 Å²	30	29%	0.289	17%	0.172	S	C	.	.	H	α-helix	trans	-67.2	-35.9	174.2	0	0	0	0	0	112	S584 A585 L622	S584-A588 PolarHBondContact O-N 2.81Å; A585-A588 PolarHBondContact O-N 2.94Å; A588-L622 HydrophobicContact CB-CD1 4.41Å
589	L	86.7	Confident	86.7	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-81.9	-32.5	177.8	-167.2	60.9	0	0	0	113.1	L521 F581 A585 L586 K587 R592 L593 Y618 L622	L521-L589 HydrophobicContact CD2-CD2 4.1Å; F581-L589 HydrophobicContact CE1-CD2 3.8Å; F581-L589 HydrophobicContact CZ-CD2 4.42Å; A585-L589 PolarHBondContact O-N 2.83Å; A585-L589 VanDerWaalsContact O-N 3.1Å; L586-L589 PolarHBondContact O-N 3.24Å; K587-L589 VanDerWaalsContact C-N 3.34Å; L589-R592 WeakPolarHBondContact O-CA 3.49Å; L589-R592 WeakPolarHBondContact O-CB 3.45Å; L589-R592 PolarHBondContact O-N 3.22Å; L589-L593 HydrophobicContact CD2-CD2 3.81Å; L589-L593 HydrophobicContact CG-CD2 3.75Å; L589-L593 HydrophobicContact CG-CG 4.08Å; L589-L593 PolarHBondContact O-N 3.18Å; L589-L593 VanDerWaalsContact O-N 3.09Å; L589-Y618 HydrophobicContact CD1-CD2 4.38Å; L589-L622 HydrophobicContact CB-CD1 3.97Å
590	A	87.2	Confident	86.1	Confident	26 Å²	26	32 Å²	32	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-42.5	-51.1	-175.6	0	0	0	0	0	116.3	A525 L586 R592 L593	A525-A590 HydrophobicContact CB-CB 4.02Å; L586-A590 WeakPolarHBondContact O-CB 3.35Å; L586-A590 PolarHBondContact O-N 3.06Å; A590-R592 PolarHBondContact O-N 3.47Å; A590-L593 PolarHBondContact O-N 3.26Å
591	P	85.1	Confident	85.2	Confident	100 Å²	100	37 Å²	37	65%	0.649	21%	0.205	S	C	*	.	H	α-helix	trans	-68.1	-17.4	179.7	27.7	-35.9	0	0	0	113.9	K587	K587-P591 VanDerWaalsContact O-CD 3.32Å; K587-P591 WeakPolarHBondContact O-CD 3.46Å
592	R	83.9	Confident	84	Confident	80 Å²	80	41.3 Å²	41.3	30%	0.302	23%	0.233	S	C	.	.	H	α-helix	trans	-95.8	-21.8	179.9	-63.4	173.3	173.9	-178.1	4.7	113.2	L589 A590 V594 H595 C596 Y618 T621	L589-R592 WeakPolarHBondContact O-CA 3.49Å; L589-R592 WeakPolarHBondContact O-CB 3.45Å; L589-R592 PolarHBondContact O-N 3.22Å; A590-R592 PolarHBondContact O-N 3.47Å; R592-V594 PolarHBondContact O-N 3.34Å; R592-H595 WeakPolarHBondContact O-CA 3.38Å; R592-H595 WeakPolarHBondContact O-CB 3.33Å; R592-H595 PolarHBondContact O-N 3.42Å; R592-C596 PolarHBondContact O-N 3.43Å; R592-Y618 HydrophobicContact CB-CD2 4.06Å; R592-Y618 HydrophobicContact CB-CE2 3.77Å; R592-Y618 HydrophobicContact CG-CE1 4.31Å; R592-Y618 HydrophobicContact CG-CE2 4.42Å; R592-T621 PolarHBondContact NH1-OG1 2.67Å
593	L	84.7	Confident	82.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-53.5	-40.1	177.3	-69.6	175.5	0	0	0	112.2	L518 L521 E522 A525 L589 A590 H595 C596 T597	L518-L593 HydrophobicContact CD1-CD2 4.17Å; L521-L593 HydrophobicContact CD1-CD1 4.32Å; L521-L593 HydrophobicContact CD2-CD2 3.71Å; L521-L593 HydrophobicContact CG-CD1 3.83Å; L521-L593 HydrophobicContact CG-CD2 3.83Å; E522-L593 HydrophobicContact CB-CB 4.46Å; E522-L593 HydrophobicContact CG-CB 4.28Å; A525-L593 HydrophobicContact CB-CD1 3.43Å; A525-L593 VanDerWaalsContact CB-CD1 3.43Å; L589-L593 HydrophobicContact CD2-CD2 3.81Å; L589-L593 HydrophobicContact CG-CD2 3.75Å; L589-L593 HydrophobicContact CG-CG 4.08Å; L589-L593 PolarHBondContact O-N 3.18Å; L589-L593 VanDerWaalsContact O-N 3.09Å; A590-L593 PolarHBondContact O-N 3.26Å; L593-H595 PolarHBondContact O-N 2.82Å; L593-C596 CarbonylContact O-C 3.42Å; L593-C596 WeakPolarHBondContact O-CA 3.36Å; L593-C596 WeakPolarHBondContact O-CB 2.95Å; L593-C596 PolarHBondContact O-N 3.14Å; L593-T597 PolarHBondContact O-N 3.37Å; L593-T597 PolarHBondContact O-OG1 3Å; L593-T597 VanDerWaalsContact O-OG1 3.04Å
594	V	84	Confident	81.4	Confident	78 Å²	78	51 Å²	51	47%	0.473	29%	0.287	S	S	.	.	H	α-helix	trans	-56.7	-34.6	176.9	-176.4	0	0	0	0	112	R592 S598	R592-V594 PolarHBondContact O-N 3.34Å; V594-S598 WeakPolarHBondContact O-CB 3.43Å; V594-S598 PolarHBondContact O-N 3.38Å; V594-S598 VanDerWaalsContact O-N 3.14Å
595	H	84.2	Confident	80.4	Confident	95 Å²	95	52.8 Å²	52.8	44%	0.44	31%	0.311	S	S	.	.	H	α-helix	trans	-72	-47	173.3	-171.4	69.9	0	0	0	111.2	R592 L593 T597 S598 L599 Y618	R592-H595 WeakPolarHBondContact O-CA 3.38Å; R592-H595 WeakPolarHBondContact O-CB 3.33Å; R592-H595 PolarHBondContact O-N 3.42Å; L593-H595 PolarHBondContact O-N 2.82Å; H595-T597 PolarHBondContact O-N 3Å; H595-S598 WeakPolarHBondContact O-CA 3.46Å; H595-S598 WeakPolarHBondContact O-CB 3.5Å; H595-S598 PolarHBondContact O-N 3.5Å; H595-S598 PolarHBondContact O-OG 2.76Å; H595-L599 PolarHBondContact O-N 2.65Å; H595-Y618 PolarHBondContact CD2-OH 3.5Å
596	C	83.5	Confident	79.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-55.8	-48.1	175.4	-67.1	0	0	0	0	112.4	L518 R592 L593 S598 L599 N600 Y609 C614	L518-C596 HydrophobicContact CD1-CB 3.83Å; L518-C596 HydrophobicContact CD2-CB 3.89Å; L518-C596 HydrophobicContact CG-CB 4.32Å; R592-C596 PolarHBondContact O-N 3.43Å; L593-C596 CarbonylContact O-C 3.42Å; L593-C596 WeakPolarHBondContact O-CA 3.36Å; L593-C596 WeakPolarHBondContact O-CB 2.95Å; L593-C596 PolarHBondContact O-N 3.14Å; C596-S598 PolarHBondContact O-N 2.99Å; C596-L599 WeakPolarHBondContact O-CB 2.76Å; C596-L599 PolarHBondContact O-N 2.92Å; C596-L599 VanDerWaalsContact O-N 3.09Å; C596-N600 PolarHBondContact O-N 3.38Å; C596-N600 VanDerWaalsContact O-N 3.15Å; C596-Y609 HydrophobicContact CB-CD1 4.37Å; C596-Y609 HydrophobicContact CB-CE1 3.77Å; C596-C614 HydrophobicContact CB-CB 3.78Å; C596-C614 WeakPolarHBondContact CB-SG 3.48Å; C596-C614 WeakPolarHBondContact SG-CB 3.43Å; C596-C614 CovalentContact SG-SG 2.04Å; C596-C614 PolarHBondContact SG-SG 3.24Å
597	T	82.3	Confident	77.9	Confident	30 Å²	30	65.7 Å²	65.7	18%	0.184	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-30.9	177.1	-44.1	0	0	0	0	111.6	E522 L593 H595 N600	E522-T597 VanDerWaalsContact OE2-CB 3.24Å; E522-T597 WeakPolarHBondContact OE2-CB 3.41Å; E522-T597 WeakPolarHBondContact OE2-CG2 3.41Å; E522-T597 PolarHBondContact OE2-OG1 3.3Å; L593-T597 PolarHBondContact O-N 3.37Å; L593-T597 PolarHBondContact O-OG1 3Å; L593-T597 VanDerWaalsContact O-OG1 3.04Å; H595-T597 PolarHBondContact O-N 3Å; T597-N600 PolarHBondContact O-N 3.1Å
598	S	81.8	Confident	76.9	Confident	53 Å²	53	67.2 Å²	67.2	37%	0.371	38%	0.379	S	S	.	.	H	α-helix	trans	-69.2	-32.3	173.7	81.6	0	0	0	0	113.4	V594 H595 C596 T604	V594-S598 WeakPolarHBondContact O-CB 3.43Å; V594-S598 PolarHBondContact O-N 3.38Å; V594-S598 VanDerWaalsContact O-N 3.14Å; H595-S598 WeakPolarHBondContact O-CA 3.46Å; H595-S598 WeakPolarHBondContact O-CB 3.5Å; H595-S598 PolarHBondContact O-N 3.5Å; H595-S598 PolarHBondContact O-OG 2.76Å; C596-S598 PolarHBondContact O-N 2.99Å; S598-T604 WeakPolarHBondContact O-CG2 3.48Å
599	L	81.8	Confident	76.7	Confident	26 Å²	26	65.8 Å²	65.8	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-73.9	-29.5	175.5	-68	178	0	0	0	112.6	H595 C596 K601 T604 Y609	H595-L599 PolarHBondContact O-N 2.65Å; C596-L599 WeakPolarHBondContact O-CB 2.76Å; C596-L599 PolarHBondContact O-N 2.92Å; C596-L599 VanDerWaalsContact O-N 3.09Å; L599-K601 PolarHBondContact O-N 3.19Å; L599-T604 WeakPolarHBondContact O-CG2 3.31Å; L599-T604 PolarHBondContact O-OG1 3.41Å; L599-Y609 HydrophobicContact CB-CD1 3.99Å; L599-Y609 HydrophobicContact CB-CD2 4.28Å; L599-Y609 HydrophobicContact CB-CE1 4.3Å; L599-Y609 HydrophobicContact CB-CG 3.97Å; L599-Y609 HydrophobicContact CD1-CD2 4.46Å; L599-Y609 HydrophobicContact CD1-CE1 4.15Å; L599-Y609 HydrophobicContact CD1-CE2 3.97Å
600	N	79.3	Confident	76.5	Confident	16 Å²	16	67.6 Å²	67.6	9%	0.086	38%	0.379	C	S	.	.	S	Bend	trans	-77.4	52.1	179.9	-163.5	25.8	0	0	0	113.6	L518 C596 T597 Y607 Y609	L518-N600 HydrophobicContact CD2-CB 4.05Å; C596-N600 PolarHBondContact O-N 3.38Å; C596-N600 VanDerWaalsContact O-N 3.15Å; T597-N600 PolarHBondContact O-N 3.1Å; N600-Y607 WeakPolarHBondContact OD1-CD2 3.4Å; N600-Y609 PolarHBondContact OD1-N 2.73Å; N600-Y609 PolarHBondContact OD1-O 2.97Å
601	K	75.4	Confident	76.4	Confident	108 Å²	108	66.6 Å²	66.6	47%	0.47	37%	0.37	S	S	.	.	S	Bend	trans	-133.9	141.4	176.8	-61.9	-174.6	177.4	-172.9	0	110.4	L599 N603 T604	L599-K601 PolarHBondContact O-N 3.19Å; K601-N603 PolarHBondContact O-N 2.87Å; K601-T604 HydrophobicContact CB-CG2 4.19Å; K601-T604 WeakPolarHBondContact O-CG2 3.5Å; K601-T604 PolarHBondContact O-N 2.95Å; K601-T604 PolarHBondContact O-OG1 3.09Å
602	P	65.3	Low	76.3	Confident	91 Å²	91	63.7 Å²	63.7	59%	0.591	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-54.6	-31.7	-172	18.6	-32	0	0	0	114.2	T604 Y607	P602-T604 VanDerWaalsContact C-N 3.27Å; P602-T604 PolarHBondContact O-N 3.16Å; P602-Y607 HydrophobicContact CB-CD1 4.3Å; P602-Y607 HydrophobicContact CB-CG 4.4Å
603	N	67.7	Low	76.3	Confident	161 Å²	161	63.6 Å²	63.6	86%	0.861	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-75.1	-5.2	-177.4	-61.1	9.1	0	0	0	114.7	K601	K601-N603 PolarHBondContact O-N 2.87Å
604	T	59.2	Low	76.3	Confident	57 Å²	57	63.6 Å²	63.6	35%	0.35	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-88.4	-10.6	-175.4	68.8	0	0	0	0	114.6	S598 L599 K601 P602 R606	S598-T604 WeakPolarHBondContact O-CG2 3.48Å; L599-T604 WeakPolarHBondContact O-CG2 3.31Å; L599-T604 PolarHBondContact O-OG1 3.41Å; K601-T604 HydrophobicContact CB-CG2 4.19Å; K601-T604 WeakPolarHBondContact O-CG2 3.5Å; K601-T604 PolarHBondContact O-N 2.95Å; K601-T604 PolarHBondContact O-OG1 3.09Å; P602-T604 VanDerWaalsContact C-N 3.27Å; P602-T604 PolarHBondContact O-N 3.16Å; T604-R606 PolarHBondContact O-N 3.2Å; T604-R606 PolarHBondContact OG1-N 3.17Å
605	G	65.8	Low	76.3	Confident	77 Å²	77	60.5 Å²	60.5	79%	0.794	33%	0.331	S	S	*	.	S	Bend	trans	70.5	-1.5	-172.4	0	0	0	0	0	115.2
606	R	64.1	Low	76.3	Confident	137 Å²	137	61.9 Å²	61.9	52%	0.517	33%	0.332	S	S	.	.	S	Bend	trans	-109.5	12.2	174.5	-73.5	-171.7	169.9	-151.6	-1.7	113.4	T604 P608 Y609 D617	T604-R606 PolarHBondContact O-N 3.2Å; T604-R606 PolarHBondContact OG1-N 3.17Å; R606-P608 CarbonylContact O-C 3.54Å; R606-Y609 HydrophobicContact CB-CD2 4.33Å; R606-Y609 WeakPolarHBondContact O-CB 3.3Å; R606-Y609 PolarHBondContact O-N 3.32Å; R606-D617 IonicContact CZ-OD2 3.97Å; R606-D617 IonicContact NH1-OD2 2.78Å; R606-D617 PolarHBondContact NH1-OD2 2.96Å
607	Y	61.6	Low	76.2	Confident	133 Å²	133	65.3 Å²	65.3	52%	0.522	35%	0.351	S	S	.	.			trans	-84.7	138.7	-178.2	-178.6	-94.2	0	0	0	112.1	N600 P602	N600-Y607 WeakPolarHBondContact OD1-CD2 3.4Å; P602-Y607 HydrophobicContact CB-CD1 4.3Å; P602-Y607 HydrophobicContact CB-CG 4.4Å
608	P	66.6	Low	75.9	Confident	107 Å²	107	66.3 Å²	66.3	70%	0.695	35%	0.351	S	S	*	.	S	Bend	cis	-75.2	133.6	-5.8	31.1	-34.4	0	0	0	112	R606	R606-P608 CarbonylContact O-C 3.54Å
609	Y	80.1	Confident	75.1	Confident	5 Å²	5	64.7 Å²	64.7	2%	0.02	34%	0.343	C	S	.	.			trans	-100.7	106.5	179.5	-173.4	-99.6	0	0	0	109.7	L518 C596 L599 N600 R606 Q613 C614 D617	L518-Y609 HydrophobicContact CD2-CD1 4.17Å; C596-Y609 HydrophobicContact CB-CD1 4.37Å; C596-Y609 HydrophobicContact CB-CE1 3.77Å; L599-Y609 HydrophobicContact CB-CD1 3.99Å; L599-Y609 HydrophobicContact CB-CD2 4.28Å; L599-Y609 HydrophobicContact CB-CE1 4.3Å; L599-Y609 HydrophobicContact CB-CG 3.97Å; L599-Y609 HydrophobicContact CD1-CD2 4.46Å; L599-Y609 HydrophobicContact CD1-CE1 4.15Å; L599-Y609 HydrophobicContact CD1-CE2 3.97Å; N600-Y609 PolarHBondContact OD1-N 2.73Å; N600-Y609 PolarHBondContact OD1-O 2.97Å; R606-Y609 HydrophobicContact CB-CD2 4.33Å; R606-Y609 WeakPolarHBondContact O-CB 3.3Å; R606-Y609 PolarHBondContact O-N 3.32Å; Y609-Q613 HydrophobicContact CD2-CB 3.95Å; Y609-Q613 HydrophobicContact CD2-CG 3.76Å; Y609-Q613 HydrophobicContact CE1-CB 4.47Å; Y609-Q613 HydrophobicContact CE2-CB 3.74Å; Y609-Q613 HydrophobicContact CE2-CG 3.49Å; Y609-Q613 VanDerWaalsContact CE2-CG 3.49Å; Y609-Q613 HydrophobicContact CG-CB 4.41Å; Y609-C614 HydrophobicContact CE1-CB 3.87Å; Y609-D617 WeakPolarHBondContact OH-CB 3.43Å; Y609-D617 PolarHBondContact OH-OD2 3.46Å
610	S	82.7	Confident	74.4	Confident	40 Å²	40	71.4 Å²	71.4	28%	0.28	38%	0.379	S	S	.	.			trans	-84.5	167.3	-169.9	89.3	0	0	0	0	113.7	E612 Q613 C614	S610-E612 VanDerWaalsContact C-N 3.32Å; S610-E612 WeakPolarHBondContact CB-OE2 3.38Å; S610-E612 PolarHBondContact OG-N 2.99Å; S610-E612 PolarHBondContact OG-OE2 2.91Å; S610-Q613 VanDerWaalsContact O-CB 3.25Å; S610-Q613 WeakPolarHBondContact O-CB 3.35Å; S610-Q613 PolarHBondContact O-N 3.03Å; S610-Q613 VanDerWaalsContact O-N 3.15Å; S610-Q613 PolarHBondContact OG-N 2.83Å; S610-C614 PolarHBondContact O-N 3.02Å
611	I	85.2	Confident	73.9	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	39%	0.392	C	S	.	.	H	α-helix	trans	-64.4	-36.7	174.9	-177.6	171.3	0	0	0	111.6	A517 L521 L537 F575 I579 F581 Q613 C614 I615	A517-I611 HydrophobicContact CB-CB 4.5Å; A517-I611 HydrophobicContact CB-CG2 4.14Å; L521-I611 HydrophobicContact CD2-CD1 3.61Å; L521-I611 HydrophobicContact CD2-CG1 4.13Å; L537-I611 HydrophobicContact CD1-CD1 3.49Å; L537-I611 VanDerWaalsContact CD1-CD1 3.49Å; F575-I611 HydrophobicContact CB-CG2 3.79Å; F575-I611 HydrophobicContact CG-CG2 4.39Å; I579-I611 HydrophobicContact CD1-CD1 4.27Å; I579-I611 HydrophobicContact CD1-CG2 4.37Å; F581-I611 HydrophobicContact CZ-CD1 4.47Å; I611-Q613 VanDerWaalsContact C-N 3.28Å; I611-Q613 PolarHBondContact O-N 3.35Å; I611-C614 WeakPolarHBondContact O-CB 3.25Å; I611-C614 PolarHBondContact O-N 3.4Å; I611-I615 HydrophobicContact CG1-CD1 3.98Å; I611-I615 VanDerWaalsContact O-CG1 3.3Å; I611-I615 WeakPolarHBondContact O-CG1 3.26Å; I611-I615 PolarHBondContact O-N 3.12Å
612	E	84.2	Confident	73.8	Confident	38 Å²	38	68.8 Å²	68.8	18%	0.178	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-30.3	172.5	-51.4	83.6	172.4	0	0	112	C573 F575 S610 R616	C573-E612 WeakPolarHBondContact O-CG 3.2Å; F575-E612 WeakPolarHBondContact CB-OE1 3.25Å; F575-E612 PolarHBondContact N-OE1 3.42Å; S610-E612 VanDerWaalsContact C-N 3.32Å; S610-E612 WeakPolarHBondContact CB-OE2 3.38Å; S610-E612 PolarHBondContact OG-N 2.99Å; S610-E612 PolarHBondContact OG-OE2 2.91Å; E612-R616 WeakPolarHBondContact O-CB 3.26Å; E612-R616 VanDerWaalsContact O-CG 3.28Å; E612-R616 WeakPolarHBondContact O-CG 3.26Å; E612-R616 PolarHBondContact O-N 3.25Å; E612-R616 PolarHBondContact O-NE 3.47Å
613	Q	83.3	Confident	74.5	Confident	78 Å²	78	72.1 Å²	72.1	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-68.2	-49.3	170.1	-140.7	76.3	7.4	0	0	110.6	Y609 S610 I611 I615 R616 D617	Y609-Q613 HydrophobicContact CD2-CB 3.95Å; Y609-Q613 HydrophobicContact CD2-CG 3.76Å; Y609-Q613 HydrophobicContact CE1-CB 4.47Å; Y609-Q613 HydrophobicContact CE2-CB 3.74Å; Y609-Q613 HydrophobicContact CE2-CG 3.49Å; Y609-Q613 VanDerWaalsContact CE2-CG 3.49Å; Y609-Q613 HydrophobicContact CG-CB 4.41Å; S610-Q613 VanDerWaalsContact O-CB 3.25Å; S610-Q613 WeakPolarHBondContact O-CB 3.35Å; S610-Q613 PolarHBondContact O-N 3.03Å; S610-Q613 VanDerWaalsContact O-N 3.15Å; S610-Q613 PolarHBondContact OG-N 2.83Å; I611-Q613 VanDerWaalsContact C-N 3.28Å; I611-Q613 PolarHBondContact O-N 3.35Å; Q613-I615 VanDerWaalsContact C-N 3.34Å; Q613-I615 PolarHBondContact O-N 3.01Å; Q613-R616 PolarHBondContact O-N 2.96Å; Q613-R616 VanDerWaalsContact O-N 3.15Å; Q613-D617 PolarHBondContact O-N 2.88Å
614	C	84.8	Confident	75.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-40.9	177.6	-176	0	0	0	0	113.2	L518 C596 Y609 S610 I611 Y618	L518-C614 HydrophobicContact CD1-CB 4.14Å; C596-C614 HydrophobicContact CB-CB 3.78Å; C596-C614 WeakPolarHBondContact CB-SG 3.48Å; C596-C614 WeakPolarHBondContact SG-CB 3.43Å; C596-C614 CovalentContact SG-SG 2.04Å; C596-C614 PolarHBondContact SG-SG 3.24Å; Y609-C614 HydrophobicContact CE1-CB 3.87Å; S610-C614 PolarHBondContact O-N 3.02Å; I611-C614 WeakPolarHBondContact O-CB 3.25Å; I611-C614 PolarHBondContact O-N 3.4Å; C614-Y618 WeakPolarHBondContact O-CD2 3.33Å; C614-Y618 PolarHBondContact O-N 3.44Å
615	I	84.1	Confident	76.6	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.072	35%	0.35	C	S	.	.	H	α-helix	trans	-66.6	-40.9	176.7	-69.1	163	0	0	0	110.8	L563 I579 F581 I611 Q613 Y618 G619 C624	L563-I615 HydrophobicContact CD2-CD1 4.11Å; L563-I615 HydrophobicContact CD2-CG1 4.04Å; L563-I615 HydrophobicContact CD2-CG2 3.7Å; I579-I615 HydrophobicContact CD1-CD1 4.17Å; F581-I615 HydrophobicContact CZ-CD1 4.34Å; I611-I615 HydrophobicContact CG1-CD1 3.98Å; I611-I615 VanDerWaalsContact O-CG1 3.3Å; I611-I615 WeakPolarHBondContact O-CG1 3.26Å; I611-I615 PolarHBondContact O-N 3.12Å; Q613-I615 VanDerWaalsContact C-N 3.34Å; Q613-I615 PolarHBondContact O-N 3.01Å; I615-Y618 CarbonylContact O-C 3.55Å; I615-Y618 PolarHBondContact O-N 3.24Å; I615-G619 WeakPolarHBondContact O-CA 3.45Å; I615-G619 PolarHBondContact O-N 3.46Å; I615-C624 HydrophobicContact CG2-CB 4.16Å
616	R	82.7	Confident	77.6	Confident	123 Å²	123	63.2 Å²	63.2	46%	0.464	32%	0.317	S	S	.	.	H	α-helix	trans	-70.5	-45.9	179.3	-74.3	179.8	-66.6	-174	7.6	112.9	E612 Q613 Y618 G619	E612-R616 WeakPolarHBondContact O-CB 3.26Å; E612-R616 VanDerWaalsContact O-CG 3.28Å; E612-R616 WeakPolarHBondContact O-CG 3.26Å; E612-R616 PolarHBondContact O-N 3.25Å; E612-R616 PolarHBondContact O-NE 3.47Å; Q613-R616 PolarHBondContact O-N 2.96Å; Q613-R616 VanDerWaalsContact O-N 3.15Å; R616-Y618 PolarHBondContact O-N 2.99Å; R616-Y618 VanDerWaalsContact O-N 3.09Å; R616-G619 PolarHBondContact O-N 2.96Å; R616-G619 VanDerWaalsContact O-N 3.07Å
617	D	81.7	Confident	78.6	Confident	73 Å²	73	61.7 Å²	61.7	39%	0.39	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-15.9	177.7	-80.4	21.2	0	0	0	112.5	R606 Y609 Q613	R606-D617 IonicContact CZ-OD2 3.97Å; R606-D617 IonicContact NH1-OD2 2.78Å; R606-D617 PolarHBondContact NH1-OD2 2.96Å; Y609-D617 WeakPolarHBondContact OH-CB 3.43Å; Y609-D617 PolarHBondContact OH-OD2 3.46Å; Q613-D617 PolarHBondContact O-N 2.88Å
618	Y	76.2	Confident	79.7	Confident	50 Å²	50	56.9 Å²	56.9	20%	0.196	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	22	175.1	-68.7	-54.7	0	0	0	114.4	L589 R592 H595 C614 I615 R616 D620 T621	L589-Y618 HydrophobicContact CD1-CD2 4.38Å; R592-Y618 HydrophobicContact CB-CD2 4.06Å; R592-Y618 HydrophobicContact CB-CE2 3.77Å; R592-Y618 HydrophobicContact CG-CE1 4.31Å; R592-Y618 HydrophobicContact CG-CE2 4.42Å; H595-Y618 PolarHBondContact CD2-OH 3.5Å; C614-Y618 WeakPolarHBondContact O-CD2 3.33Å; C614-Y618 PolarHBondContact O-N 3.44Å; I615-Y618 CarbonylContact O-C 3.55Å; I615-Y618 PolarHBondContact O-N 3.24Å; R616-Y618 PolarHBondContact O-N 2.99Å; R616-Y618 VanDerWaalsContact O-N 3.09Å; Y618-D620 PolarHBondContact O-N 3.43Å; Y618-D620 VanDerWaalsContact O-N 3.14Å; Y618-T621 PolarHBondContact O-N 3.15Å; Y618-T621 PolarHBondContact O-OG1 3.19Å
619	G	65.7	Low	80.5	Confident	19 Å²	19	59 Å²	59	20%	0.196	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.1	-175	0	0	0	0	0	115.1	I615 R616 T621 L622	I615-G619 WeakPolarHBondContact O-CA 3.45Å; I615-G619 PolarHBondContact O-N 3.46Å; R616-G619 PolarHBondContact O-N 2.96Å; R616-G619 VanDerWaalsContact O-N 3.07Å; G619-T621 PolarHBondContact O-N 2.88Å; G619-L622 CarbonylContact O-C 3.44Å; G619-L622 PolarHBondContact O-N 3.03Å; G619-L622 VanDerWaalsContact O-N 3.12Å
620	D	67.2	Low	80.5	Confident	168 Å²	168	61.8 Å²	61.8	90%	0.898	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.3	176	-64.9	-16.8	0	0	0	114.1	Y618	Y618-D620 PolarHBondContact O-N 3.43Å; Y618-D620 VanDerWaalsContact O-N 3.14Å
621	T	68.7	Low	80.5	Confident	58 Å²	58	65.8 Å²	65.8	36%	0.356	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-23.2	177	43.6	0	0	0	0	114.3	R592 Y618 G619	R592-T621 PolarHBondContact NH1-OG1 2.67Å; Y618-T621 PolarHBondContact O-N 3.15Å; Y618-T621 PolarHBondContact O-OG1 3.19Å; G619-T621 PolarHBondContact O-N 2.88Å
622	L	73.8	Confident	80.4	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	36%	0.356	C	S	.	.			trans	-149.1	95	-172.4	-75.2	175	0	0	0	109.9	L563 A585 A588 L589 G619	L563-L622 HydrophobicContact CD2-CB 4.17Å; A585-L622 HydrophobicContact CB-CD1 4.36Å; A585-L622 HydrophobicContact CB-CD2 3.69Å; A585-L622 WeakPolarHBondContact O-CD1 3.43Å; A588-L622 HydrophobicContact CB-CD1 4.41Å; L589-L622 HydrophobicContact CB-CD1 3.97Å; G619-L622 CarbonylContact O-C 3.44Å; G619-L622 PolarHBondContact O-N 3.03Å; G619-L622 VanDerWaalsContact O-N 3.12Å
623	Q	80	Confident	80.5	Confident	161 Å²	161	66.6 Å²	66.6	75%	0.752	35%	0.348	S	S	*	.			trans	-80.8	129.9	167.2	-63.5	-176.4	-2.8	0	0	108.6
624	C	83.5	Confident	80.7	Confident	36 Å²	36	65.3 Å²	65.3	24%	0.243	34%	0.344	C	S	.	.			trans	-85.9	128.7	176	-171.3	0	0	0	0	110.4	L563 C573 I615	L563-C624 HydrophobicContact CD2-CB 4.04Å; L563-C624 HydrophobicContact CG-CB 3.88Å; L563-C624 WeakPolarHBondContact O-CA 3.45Å; C573-C624 HydrophobicContact CB-CB 3.91Å; C573-C624 WeakPolarHBondContact CB-SG 3.29Å; C573-C624 WeakPolarHBondContact SG-CB 3.46Å; C573-C624 CovalentContact SG-SG 2.02Å; C573-C624 PolarHBondContact SG-SG 3.2Å; I615-C624 HydrophobicContact CG2-CB 4.16Å
625	V	86.9	Confident	80.7	Confident	57 Å²	57	66.1 Å²	66.1	35%	0.345	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-113.7	141.6	-172.7	-164.6	0	0	0	0	110.3	L563 L564 G565 E627	L563-V625 PolarHBondContact O-N 3.44Å; L564-V625 VanDerWaalsContact CA-O 3.3Å; L564-V625 WeakPolarHBondContact CA-O 3.32Å; L564-V625 HydrophobicContact CD2-CB 3.93Å; G565-V625 PolarHBondContact N-O 3.19Å; V625-E627 HydrophobicContact CG1-CG 3.85Å; V625-E627 WeakPolarHBondContact CG1-O 3.45Å
626	V	85.8	Confident	80.8	Confident	15 Å²	15	66.3 Å²	66.3	9%	0.091	35%	0.353	C	S	.	.	S	Bend	trans	-108.6	15	-177.4	-57.5	0	0	0	0	113	G565 A567 L633	G565-V626 WeakPolarHBondContact O-CA 3.08Å; A567-V626 HydrophobicContact CB-CB 4.33Å; A567-V626 HydrophobicContact CB-CG1 3.9Å; V626-L633 WeakPolarHBondContact O-CB 3.07Å; V626-L633 PolarHBondContact O-N 2.86Å
627	E	86.2	Confident	80.9	Confident	105 Å²	105	66.7 Å²	66.7	49%	0.491	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.2	178.3	59.3	177.2	-163.5	0	0	110	V625 Q631	V625-E627 HydrophobicContact CG1-CG 3.85Å; V625-E627 WeakPolarHBondContact CG1-O 3.45Å; E627-Q631 CarbonylContact C-O 3.58Å; E627-Q631 VanDerWaalsContact CA-O 3.29Å; E627-Q631 WeakPolarHBondContact CA-O 3.44Å
628	W	84.1	Confident	80.9	Confident	32 Å²	32	64.8 Å²	64.8	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	123.1	175.6	178.1	-122.3	0	0	0	110	L552 T555 M556 L562 G630 Q631 L633	L552-W628 HydrophobicContact CD1-CB 4.43Å; L552-W628 HydrophobicContact CD1-CG 4.46Å; T555-W628 VanDerWaalsContact OG1-CD1 3.3Å; T555-W628 PolarHBondContact OG1-NE1 3.29Å; M556-W628 HydrophobicContact CE-CB 4.3Å; M556-W628 VanDerWaalsContact CE-CD1 3.44Å; M556-W628 HydrophobicContact CE-CD2 4Å; M556-W628 HydrophobicContact CE-CG 3.67Å; M556-W628 HydrophobicContact CG-CZ2 3.9Å; L562-W628 HydrophobicContact CD1-CE3 4.04Å; L562-W628 HydrophobicContact CD1-CH2 3.6Å; L562-W628 HydrophobicContact CD1-CZ2 4.13Å; L562-W628 HydrophobicContact CD1-CZ3 3.56Å; L562-W628 HydrophobicContact CD2-CE3 4.32Å; L562-W628 HydrophobicContact CD2-CH2 4.4Å; L562-W628 HydrophobicContact CD2-CZ3 3.72Å; L562-W628 HydrophobicContact CG-CZ3 4.29Å; W628-G630 PolarHBondContact O-N 3.33Å; W628-Q631 PolarHBondContact N-O 3.02Å; W628-Q631 PolarHBondContact O-N 2.98Å; W628-L633 HydrophobicContact CB-CD2 4.05Å
629	K	83.2	Confident	80.8	Confident	151 Å²	151	65.2 Å²	65.2	66%	0.657	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	30.6	-178.2	-65.1	172.5	174.7	170.6	0	113.8	T555	T555-K629 PolarHBondContact O-NZ 2.9Å
630	G	80.6	Confident	80.9	Confident	64 Å²	64	71.5 Å²	71.5	66%	0.66	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-2.1	-177.4	0	0	0	0	0	115.4	W628	W628-G630 PolarHBondContact O-N 3.33Å
631	Q	82.2	Confident	80.7	Confident	124 Å²	124	71.1 Å²	71.1	58%	0.579	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.7	170.2	-64.1	-175.2	-53.2	0	0	109.9	E627 W628	E627-Q631 CarbonylContact C-O 3.58Å; E627-Q631 VanDerWaalsContact CA-O 3.29Å; E627-Q631 WeakPolarHBondContact CA-O 3.44Å; W628-Q631 PolarHBondContact N-O 3.02Å; W628-Q631 PolarHBondContact O-N 2.98Å
632	P	84.2	Confident	80.1	Confident	57 Å²	57	68.7 Å²	68.7	37%	0.37	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138	177.2	30.9	-34.8	0	0	0	110.6	P569 L634	P569-P632 HydrophobicContact CG-CB 3.79Å; P632-L634 VanDerWaalsContact C-N 3.32Å; P632-L634 HydrophobicContact CB-CD2 3.94Å; P632-L634 HydrophobicContact CB-CG 4.35Å; P632-L634 HydrophobicContact CG-CD2 4.02Å; P632-L634 HydrophobicContact CG-CG 4.14Å; P632-L634 PolarHBondContact O-N 3.22Å
633	L	85.6	Confident	79.1	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.016	38%	0.383	C	S	.	.			trans	-86.2	74.4	-177.6	-59.4	178.8	0	0	0	110.2	L552 L564 F566 A567 V626 W628 S635 L653	L552-L633 HydrophobicContact CD1-CD2 3.71Å; L552-L633 HydrophobicContact CD2-CD2 3.85Å; L552-L633 HydrophobicContact CG-CD2 4.46Å; L564-L633 HydrophobicContact CB-CD1 3.77Å; L564-L633 HydrophobicContact CD1-CD1 4Å; L564-L633 HydrophobicContact CD2-CD1 4.04Å; L564-L633 HydrophobicContact CG-CD1 4.14Å; F566-L633 CarbonylContact C-O 3.58Å; F566-L633 VanDerWaalsContact C-O 3.31Å; F566-L633 WeakPolarHBondContact CA-O 3.33Å; F566-L633 HydrophobicContact CD1-CB 4.05Å; F566-L633 HydrophobicContact CD1-CD1 4.44Å; A567-L633 PolarHBondContact N-O 3.09Å; V626-L633 WeakPolarHBondContact O-CB 3.07Å; V626-L633 PolarHBondContact O-N 2.86Å; W628-L633 HydrophobicContact CB-CD2 4.05Å; L633-S635 PolarHBondContact O-N 3.18Å; L633-L653 HydrophobicContact CB-CD1 3.85Å; L633-L653 HydrophobicContact CD2-CD1 3.87Å; L633-L653 HydrophobicContact CG-CD1 4.45Å
634	L	87.4	Confident	78	Confident	52 Å²	52	70.3 Å²	70.3	27%	0.272	37%	0.371	S	S	.	.			trans	-65.5	129.8	-167	-62.4	179.4	0	0	0	113.2	P632 L653	P632-L634 VanDerWaalsContact C-N 3.32Å; P632-L634 HydrophobicContact CB-CD2 3.94Å; P632-L634 HydrophobicContact CB-CG 4.35Å; P632-L634 HydrophobicContact CG-CD2 4.02Å; P632-L634 HydrophobicContact CG-CG 4.14Å; P632-L634 PolarHBondContact O-N 3.22Å; L634-L653 PolarHBondContact O-N 3.46Å
635	S	85.6	Confident	76.9	Confident	16 Å²	16	75.4 Å²	75.4	11%	0.112	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.3	163.8	-171.5	0	0	0	0	109.7	F566 S577 L633 T654	F566-S635 VanDerWaalsContact O-CB 3.26Å; F566-S635 WeakPolarHBondContact O-CB 3.23Å; S577-S635 WeakPolarHBondContact CB-OG 3.38Å; L633-S635 PolarHBondContact O-N 3.18Å; S635-T654 WeakPolarHBondContact CA-O 3.47Å; S635-T654 WeakPolarHBondContact CB-OG1 3.41Å; S635-T654 PolarHBondContact OG-O 3.46Å; S635-T654 PolarHBondContact OG-OG1 3.44Å
636	A	84.8	Confident	75.7	Confident	19 Å²	19	79.7 Å²	79.7	16%	0.157	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	170.2	178.1	0	0	0	0	0	111.6	Y648 I652 T654 V655 T656	A636-Y648 HydrophobicContact CB-CE1 4.46Å; A636-I652 HydrophobicContact CB-CD1 4.15Å; A636-I652 HydrophobicContact CB-CG2 3.84Å; A636-T654 PolarHBondContact N-O 3.48Å; A636-V655 HydrophobicContact CB-CG2 4.36Å; A636-T656 PolarHBondContact O-N 2.88Å; A636-T656 PolarHBondContact O-OG1 2.89Å
637	K	84.5	Confident	74.6	Confident	130 Å²	130	83.2 Å²	83.2	57%	0.565	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	145	163.5	-72.3	175.8	178.1	-178.7	0	108	T656	K637-T656 WeakPolarHBondContact CG-OG1 3.42Å
638	F	81.8	Confident	73.9	Confident	33 Å²	33	79 Å²	79	15%	0.145	41%	0.405	C	S	.	.			trans	-63.1	134.2	168.5	-169.9	-98.9	0	0	0	109.5	E640 V655 T656 Q663 L667	F638-E640 HydrophobicContact CD1-CG 4.11Å; F638-E640 HydrophobicContact CE1-CG 4.25Å; F638-V655 HydrophobicContact CB-CG1 4.09Å; F638-V655 HydrophobicContact CD2-CG1 4.43Å; F638-T656 PolarHBondContact N-O 3.18Å; F638-Q663 HydrophobicContact CD1-CG 4.12Å; F638-Q663 HydrophobicContact CD2-CB 4.35Å; F638-Q663 HydrophobicContact CE1-CB 4.36Å; F638-Q663 HydrophobicContact CE1-CG 3.59Å; F638-Q663 VanDerWaalsContact CE1-NE2 3.34Å; F638-Q663 HydrophobicContact CE2-CB 4.02Å; F638-Q663 HydrophobicContact CE2-CG 4.1Å; F638-Q663 HydrophobicContact CZ-CB 4.04Å; F638-Q663 HydrophobicContact CZ-CG 3.6Å; F638-L667 HydrophobicContact CD2-CD1 3.99Å; F638-L667 HydrophobicContact CD2-CD2 4.15Å; F638-L667 HydrophobicContact CD2-CG 4.18Å; F638-L667 HydrophobicContact CE2-CD1 4.42Å; F638-L667 HydrophobicContact CE2-CD2 4.2Å; F638-L667 HydrophobicContact CE2-CG 4.16Å
639	D	75.4	Confident	73.4	Confident	60 Å²	60	79.7 Å²	79.7	32%	0.321	41%	0.414	S	S	.	.			trans	-102.2	118.9	173.4	-172.6	-12.9	0	0	0	108.4	N641 G642 Y648	D639-N641 VanDerWaalsContact C-N 3.33Å; D639-N641 PolarHBondContact OD1-N 3.02Å; D639-G642 PolarHBondContact OD1-N 2.99Å; D639-Y648 PolarHBondContact N-OH 3.14Å
640	E	68.2	Low	72.9	Confident	150 Å²	150	73.1 Å²	73.1	70%	0.701	39%	0.387	S	S	*	.	S	Bend	trans	-76.8	-21.6	-179.8	-63	-174.8	146.1	0	0	112.8	F638	F638-E640 HydrophobicContact CD1-CG 4.11Å; F638-E640 HydrophobicContact CE1-CG 4.25Å
641	N	62.7	Low	72.9	Confident	160 Å²	160	75.1 Å²	75.1	86%	0.856	38%	0.383	S	S	*	.	S	Bend	trans	-106.6	-18.7	-172.3	-64.1	-49.7	0	0	0	113.6	D639	D639-N641 VanDerWaalsContact C-N 3.33Å; D639-N641 PolarHBondContact OD1-N 3.02Å
642	G	55.9	Low	73.1	Confident	8 Å²	8	69.8 Å²	69.8	8%	0.082	36%	0.358	C	S	.	.			trans	-116.6	101	-173.1	0	0	0	0	0	114.4	D639 H644	D639-G642 PolarHBondContact OD1-N 2.99Å; G642-H644 PolarHBondContact O-N 3.41Å
643	D	53.3	Low	73.2	Confident	93 Å²	93	67.5 Å²	67.5	50%	0.497	34%	0.342	S	S	.	.			trans	-76.4	24	169.8	-155.5	30.4	0	0	0	112.9	R645 R666	D643-R645 PolarHBondContact O-N 3.36Å; D643-R666 IonicContact OD1-CZ 3.15Å; D643-R666 VanDerWaalsContact OD1-CZ 3.23Å; D643-R666 IonicContact OD1-NE 2.98Å; D643-R666 PolarHBondContact OD1-NE 3.43Å; D643-R666 IonicContact OD1-NH2 2.67Å; D643-R666 PolarHBondContact OD1-NH2 3.15Å; D643-R666 VanDerWaalsContact OD1-NH2 3.07Å; D643-R666 IonicContact OD2-CZ 2.76Å; D643-R666 IonicContact OD2-NE 2.68Å; D643-R666 IonicContact OD2-NH2 3.26Å; D643-R666 PolarHBondContact OD2-NH2 2.94Å
644	H	56.5	Low	73.4	Confident	112 Å²	112	67.3 Å²	67.3	52%	0.519	34%	0.342	S	S	.	.			trans	-74.7	106.6	-175	-66.7	-73.9	0	0	0	110.1	G642 D646 N647	G642-H644 PolarHBondContact O-N 3.41Å; H644-D646 PolarHBondContact O-N 3.3Å; H644-D646 VanDerWaalsContact O-N 3.09Å; H644-N647 WeakPolarHBondContact O-CB 3.18Å; H644-N647 PolarHBondContact O-N 2.67Å
645	R	60.1	Low	73.5	Confident	143 Å²	143	64.9 Å²	64.9	54%	0.54	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-47.8	-35.7	170.8	-72.8	-177.2	171.3	-136.9	-7.3	112	D643 N647 Y648 L670 D673	D643-R645 PolarHBondContact O-N 3.36Å; R645-N647 PolarHBondContact O-N 3.31Å; R645-N647 VanDerWaalsContact O-N 3.16Å; R645-Y648 PolarHBondContact O-N 2.9Å; R645-L670 HydrophobicContact CG-CD2 4.09Å; R645-D673 IonicContact CZ-OD2 3.84Å; R645-D673 IonicContact NH1-OD2 3.68Å; R645-D673 PolarHBondContact NH1-OD2 3.14Å; R645-D673 IonicContact NH2-OD2 3.66Å; R645-D673 PolarHBondContact NH2-OD2 2.87Å
646	D	61.3	Low	73.6	Confident	146 Å²	146	64.5 Å²	64.5	78%	0.781	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-59.3	-24.6	-179	-41.7	-51.9	0	0	0	113.9	H644 Y648	H644-D646 PolarHBondContact O-N 3.3Å; H644-D646 VanDerWaalsContact O-N 3.09Å; D646-Y648 VanDerWaalsContact C-N 3.3Å
647	N	63.8	Low	73.6	Confident	90 Å²	90	69.2 Å²	69.2	48%	0.481	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-76	-16	174.7	-77.5	-20.1	0	0	0	113.1	H644 R645	H644-N647 WeakPolarHBondContact O-CB 3.18Å; H644-N647 PolarHBondContact O-N 2.67Å; R645-N647 PolarHBondContact O-N 3.31Å; R645-N647 VanDerWaalsContact O-N 3.16Å
648	Y	70.9	Confident	73.6	Confident	17 Å²	17	63 Å²	63	7%	0.067	31%	0.313	C	S	.	.			trans	-119	70.8	-168.7	-65.2	-67.6	0	0	0	113.2	A636 D639 R645 D646 I652 V655 L667 F671	A636-Y648 HydrophobicContact CB-CE1 4.46Å; D639-Y648 PolarHBondContact N-OH 3.14Å; R645-Y648 PolarHBondContact O-N 2.9Å; D646-Y648 VanDerWaalsContact C-N 3.3Å; Y648-I652 HydrophobicContact CD1-CD1 4.23Å; Y648-V655 HydrophobicContact CD1-CG2 4.37Å; Y648-V655 HydrophobicContact CE1-CG1 4.12Å; Y648-V655 HydrophobicContact CE1-CG2 4.17Å; Y648-L667 HydrophobicContact CD1-CD2 4.42Å; Y648-L667 HydrophobicContact CE1-CD2 4.08Å; Y648-F671 HydrophobicContact CD1-CZ 4.19Å
649	S	72.7	Confident	73.7	Confident	46 Å²	46	65.9 Å²	65.9	32%	0.322	33%	0.333	S	S	.	.			trans	-60.5	150.1	170	171.2	0	0	0	0	112.7	D651 I652	S649-D651 PolarHBondContact O-N 3.49Å; S649-D651 VanDerWaalsContact O-N 3.08Å; S649-D651 PolarHBondContact OG-N 3.3Å; S649-I652 WeakPolarHBondContact O-CB 3.3Å; S649-I652 WeakPolarHBondContact O-CG1 3.39Å; S649-I652 PolarHBondContact O-N 3.05Å
650	S	74.2	Confident	74.3	Confident	12 Å²	12	65.1 Å²	65.1	8%	0.084	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.9	171.3	47.8	0	0	0	0	114.5	N545 A548 I652 Y674	N545-S650 PolarHBondContact ND2-O 3.42Å; A548-S650 WeakPolarHBondContact CB-O 3.5Å; S650-I652 PolarHBondContact O-N 3.32Å; S650-Y674 VanDerWaalsContact CB-CE1 3.44Å
651	D	80	Confident	75.1	Confident	107 Å²	107	59.3 Å²	59.3	57%	0.572	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-3.4	-173.1	-54.6	-17.7	0	0	0	112.7	S649	S649-D651 PolarHBondContact O-N 3.49Å; S649-D651 VanDerWaalsContact O-N 3.08Å; S649-D651 PolarHBondContact OG-N 3.3Å
652	I	85.9	Confident	76.2	Confident	12 Å²	12	57.1 Å²	57.1	6%	0.062	29%	0.292	C	S	.	.			trans	-79.2	119.5	176.1	-59	170.6	0	0	0	109.2	N545 A636 Y648 S649 S650 T654 V655 F671	N545-I652 WeakPolarHBondContact CB-O 3.28Å; N545-I652 PolarHBondContact ND2-O 3.31Å; A636-I652 HydrophobicContact CB-CD1 4.15Å; A636-I652 HydrophobicContact CB-CG2 3.84Å; Y648-I652 HydrophobicContact CD1-CD1 4.23Å; S649-I652 WeakPolarHBondContact O-CB 3.3Å; S649-I652 WeakPolarHBondContact O-CG1 3.39Å; S649-I652 PolarHBondContact O-N 3.05Å; S650-I652 PolarHBondContact O-N 3.32Å; I652-T654 VanDerWaalsContact CG2-O 3.26Å; I652-T654 WeakPolarHBondContact CG2-O 3.29Å; I652-V655 HydrophobicContact CG2-CG2 4.14Å; I652-F671 HydrophobicContact CB-CZ 4.43Å
653	L	87.5	Confident	77.6	Confident	8 Å²	8	58 Å²	58	4%	0.042	29%	0.294	C	S	.	.			trans	-82.9	-38.5	-178.2	-68.8	159.1	0	0	0	112.5	N545 A548 L552 F566 L633 L634	N545-L653 PolarHBondContact N-O 2.79Å; A548-L653 HydrophobicContact CB-CD2 3.78Å; A548-L653 HydrophobicContact CB-CG 4.44Å; L552-L653 HydrophobicContact CB-CD2 4.19Å; L552-L653 HydrophobicContact CD2-CD1 3.86Å; L552-L653 HydrophobicContact CD2-CD2 3.83Å; F566-L653 HydrophobicContact CD1-CB 4.48Å; F566-L653 HydrophobicContact CD1-CD1 3.74Å; F566-L653 HydrophobicContact CD2-CB 4.23Å; F566-L653 HydrophobicContact CE1-CD1 3.94Å; F566-L653 HydrophobicContact CE2-CB 4.47Å; F566-L653 HydrophobicContact CG-CB 4.22Å; F566-L653 HydrophobicContact CG-CD1 4.25Å; L633-L653 HydrophobicContact CB-CD1 3.85Å; L633-L653 HydrophobicContact CD2-CD1 3.87Å; L633-L653 HydrophobicContact CG-CD1 4.45Å; L634-L653 PolarHBondContact O-N 3.46Å
654	T	89.4	Confident	79.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.4	179.2	55.9	0	0	0	0	112.5	Y543 V544 F566 S577 S635 A636 I652	Y543-T654 CarbonylContact O-C 3.59Å; Y543-T654 WeakPolarHBondContact O-CA 3.36Å; Y543-T654 WeakPolarHBondContact O-CB 3.49Å; V544-T654 HydrophobicContact CG2-CG2 4.45Å; F566-T654 HydrophobicContact CD2-CG2 3.58Å; F566-T654 HydrophobicContact CE2-CG2 4.01Å; S577-T654 WeakPolarHBondContact O-CB 3.26Å; S577-T654 WeakPolarHBondContact O-CG2 3.34Å; S577-T654 PolarHBondContact O-OG1 3.42Å; S635-T654 WeakPolarHBondContact CA-O 3.47Å; S635-T654 WeakPolarHBondContact CB-OG1 3.41Å; S635-T654 PolarHBondContact OG-O 3.46Å; S635-T654 PolarHBondContact OG-OG1 3.44Å; A636-T654 PolarHBondContact N-O 3.48Å; I652-T654 VanDerWaalsContact CG2-O 3.26Å; I652-T654 WeakPolarHBondContact CG2-O 3.29Å
655	V	88.5	Confident	80.7	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.1	172.7	-173.7	0	0	0	0	108.7	S542 Y543 A636 F638 Y648 I652 L667 F671	S542-V655 CarbonylContact C-O 3.54Å; S542-V655 WeakPolarHBondContact CA-O 3.29Å; Y543-V655 HydrophobicContact CD1-CB 4.46Å; Y543-V655 HydrophobicContact CD1-CG2 4.25Å; Y543-V655 PolarHBondContact N-O 3.41Å; Y543-V655 PolarHBondContact O-N 3.42Å; A636-V655 HydrophobicContact CB-CG2 4.36Å; F638-V655 HydrophobicContact CB-CG1 4.09Å; F638-V655 HydrophobicContact CD2-CG1 4.43Å; Y648-V655 HydrophobicContact CD1-CG2 4.37Å; Y648-V655 HydrophobicContact CE1-CG1 4.12Å; Y648-V655 HydrophobicContact CE1-CG2 4.17Å; I652-V655 HydrophobicContact CG2-CG2 4.14Å; V655-L667 HydrophobicContact CB-CD1 3.86Å; V655-L667 HydrophobicContact CG1-CD1 3.9Å; V655-L667 HydrophobicContact CG1-CD2 4.29Å; V655-L667 HydrophobicContact CG2-CD1 4.29Å; V655-L667 HydrophobicContact CG2-CD2 4.22Å; V655-F671 HydrophobicContact CG2-CE2 3.95Å; V655-F671 HydrophobicContact CG2-CZ 4.05Å
656	T	88.7	Confident	81.9	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	153.5	-179.4	56	0	0	0	0	112.3	E576 S577 A636 K637 F638	E576-T656 HydrophobicContact CG-CG2 4.12Å; E576-T656 WeakPolarHBondContact O-CG2 3.19Å; S577-T656 VanDerWaalsContact CA-CG2 3.48Å; A636-T656 PolarHBondContact O-N 2.88Å; A636-T656 PolarHBondContact O-OG1 2.89Å; K637-T656 WeakPolarHBondContact CG-OG1 3.42Å; F638-T656 PolarHBondContact N-O 3.18Å
657	R	85.5	Confident	83.1	Confident	119 Å²	119	47.6 Å²	47.6	45%	0.449	23%	0.232	S	C	.	.			trans	69.8	28.4	174.6	-48.8	175.7	-173.6	-145.6	-19.1	114.8	A541 E576 T659	A541-R657 CarbonylContact O-C 3.59Å; A541-R657 WeakPolarHBondContact O-CA 3.19Å; A541-R657 PolarHBondContact O-N 3.24Å; E576-R657 VanDerWaalsContact OE1-CG 3.25Å; E576-R657 WeakPolarHBondContact OE1-CG 3.44Å; E576-R657 IonicContact OE1-CZ 3.23Å; E576-R657 VanDerWaalsContact OE1-CZ 3.26Å; E576-R657 IonicContact OE1-NE 2.69Å; E576-R657 PolarHBondContact OE1-NE 2.98Å; E576-R657 IonicContact OE1-NH2 3.09Å; E576-R657 PolarHBondContact OE1-NH2 2.93Å; E576-R657 IonicContact OE2-NH2 3.22Å; E576-R657 PolarHBondContact OE2-NH2 2.83Å; E576-R657 VanDerWaalsContact OE2-NH2 3.09Å; R657-T659 PolarHBondContact O-N 3.47Å
658	A	84.2	Confident	84.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.			trans	-76.6	73.8	164.7	0	0	0	0	0	109.3	A541 S660 Q663 H664 L667	A541-A658 PolarHBondContact O-N 3.44Å; A658-S660 PolarHBondContact O-N 3.07Å; A658-S660 VanDerWaalsContact O-N 3.1Å; A658-Q663 HydrophobicContact CB-CB 4.18Å; A658-H664 VanDerWaalsContact CB-CE1 3.49Å; A658-H664 WeakPolarHBondContact CB-CE1 3.49Å; A658-H664 PolarHBondContact O-CE1 3.24Å; A658-H664 PolarHBondContact O-ND1 2.88Å; A658-L667 HydrophobicContact CB-CD1 4.26Å
659	T	83.8	Confident	85.1	Confident	92 Å²	92	47.5 Å²	47.5	56%	0.564	24%	0.241	S	C	*	.			trans	-70.2	2.6	-174.9	53.4	0	0	0	0	114.8	F479 R657	F479-T659 WeakPolarHBondContact CZ-O 3.29Å; R657-T659 PolarHBondContact O-N 3.47Å
660	S	86.9	Confident	85.8	Confident	44 Å²	44	46.9 Å²	46.9	31%	0.308	23%	0.234	S	C	.	.	S	Bend	trans	-138.8	157.3	175.5	70.2	0	0	0	0	112.7	F479 A658 E662 Q663 H664	F479-S660 VanDerWaalsContact CE1-C 3.41Å; A658-S660 PolarHBondContact O-N 3.07Å; A658-S660 VanDerWaalsContact O-N 3.1Å; S660-E662 VanDerWaalsContact C-N 3.27Å; S660-E662 PolarHBondContact O-N 3.27Å; S660-Q663 VanDerWaalsContact OG-CG 3.23Å; S660-Q663 WeakPolarHBondContact OG-CG 3.15Å; S660-Q663 PolarHBondContact OG-N 3.45Å; S660-Q663 PolarHBondContact OG-OE1 3.45Å; S660-H664 PolarHBondContact O-N 3.35Å; S660-H664 PolarHBondContact O-ND1 2.84Å
661	V	85.8	Confident	86.4	Confident	29 Å²	29	46.4 Å²	46.4	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-29.2	174.9	175.4	0	0	0	0	112	S478 F479 A482 H664 R665	S478-V661 VanDerWaalsContact C-CG2 3.48Å; F479-V661 HydrophobicContact CD1-CG2 4.07Å; F479-V661 HydrophobicContact CE1-CG2 4.18Å; F479-V661 HydrophobicContact CG-CG2 4.36Å; A482-V661 HydrophobicContact CB-CG1 4.35Å; V661-H664 WeakPolarHBondContact O-CB 3.37Å; V661-H664 PolarHBondContact O-N 3.22Å; V661-R665 HydrophobicContact CG1-CG 4.44Å; V661-R665 WeakPolarHBondContact O-CG 3.42Å; V661-R665 PolarHBondContact O-N 2.95Å
662	E	85	Confident	86.8	Confident	113 Å²	113	43 Å²	43	53%	0.528	22%	0.217	S	C	.	.	H	α-helix	trans	-70.2	-38.9	-179.9	-161.9	55.3	-135.4	0	0	111.7	S660 H664 R665 R666	S660-E662 VanDerWaalsContact C-N 3.27Å; S660-E662 PolarHBondContact O-N 3.27Å; E662-H664 VanDerWaalsContact C-N 3.32Å; E662-H664 PolarHBondContact O-N 3.09Å; E662-R665 PolarHBondContact O-N 3.29Å; E662-R665 WeakPolarHBondContact OE2-CD 3.03Å; E662-R665 IonicContact OE2-CZ 2.74Å; E662-R665 IonicContact OE2-NE 3.63Å; E662-R665 IonicContact OE2-NH1 2.86Å; E662-R665 PolarHBondContact OE2-NH1 3.44Å; E662-R666 WeakPolarHBondContact O-CB 3.33Å; E662-R666 PolarHBondContact O-N 3.28Å
663	Q	86.1	Confident	86.9	Confident	27 Å²	27	45.1 Å²	45.1	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-43.1	170.2	-66.9	159.7	-36.3	0	0	111.1	F638 A658 S660 R665 R666 L667	F638-Q663 HydrophobicContact CD1-CG 4.12Å; F638-Q663 HydrophobicContact CD2-CB 4.35Å; F638-Q663 HydrophobicContact CE1-CB 4.36Å; F638-Q663 HydrophobicContact CE1-CG 3.59Å; F638-Q663 VanDerWaalsContact CE1-NE2 3.34Å; F638-Q663 HydrophobicContact CE2-CB 4.02Å; F638-Q663 HydrophobicContact CE2-CG 4.1Å; F638-Q663 HydrophobicContact CZ-CB 4.04Å; F638-Q663 HydrophobicContact CZ-CG 3.6Å; A658-Q663 HydrophobicContact CB-CB 4.18Å; S660-Q663 VanDerWaalsContact OG-CG 3.23Å; S660-Q663 WeakPolarHBondContact OG-CG 3.15Å; S660-Q663 PolarHBondContact OG-N 3.45Å; S660-Q663 PolarHBondContact OG-OE1 3.45Å; Q663-R665 PolarHBondContact O-N 2.85Å; Q663-R666 PolarHBondContact O-N 3.45Å; Q663-L667 WeakPolarHBondContact O-CB 3.29Å; Q663-L667 VanDerWaalsContact O-CG 3.27Å; Q663-L667 WeakPolarHBondContact O-CG 3.36Å; Q663-L667 PolarHBondContact O-N 3.44Å
664	H	86.9	Confident	86.8	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.032	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-40.4	174.3	-79.6	84	0	0	0	113	F479 A482 E540 Y543 A658 S660 V661 E662 N668	F479-H664 AromaticContact CD1-CE1 3.53Å; F479-H664 AromaticContact CD1-ND1 3.67Å; F479-H664 AromaticContact CE1-CE1 3.76Å; F479-H664 AromaticContact CE1-ND1 3.73Å; A482-H664 HydrophobicContact CB-CB 3.85Å; E540-H664 PolarHBondContact O-CE1 3.34Å; Y543-H664 AromaticContact CD2-CD2 3.92Å; A658-H664 VanDerWaalsContact CB-CE1 3.49Å; A658-H664 WeakPolarHBondContact CB-CE1 3.49Å; A658-H664 PolarHBondContact O-CE1 3.24Å; A658-H664 PolarHBondContact O-ND1 2.88Å; S660-H664 PolarHBondContact O-N 3.35Å; S660-H664 PolarHBondContact O-ND1 2.84Å; V661-H664 WeakPolarHBondContact O-CB 3.37Å; V661-H664 PolarHBondContact O-N 3.22Å; E662-H664 VanDerWaalsContact C-N 3.32Å; E662-H664 PolarHBondContact O-N 3.09Å; H664-N668 VanDerWaalsContact O-CB 3.29Å; H664-N668 WeakPolarHBondContact O-CB 3.49Å; H664-N668 PolarHBondContact O-N 3.1Å
665	R	86.8	Confident	86.7	Confident	146 Å²	146	50.5 Å²	50.5	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-64.6	-46.4	175.1	-71.2	172.6	-173.7	153.6	-3.2	111.7	V661 E662 Q663 N668 A669	V661-R665 HydrophobicContact CG1-CG 4.44Å; V661-R665 WeakPolarHBondContact O-CG 3.42Å; V661-R665 PolarHBondContact O-N 2.95Å; E662-R665 PolarHBondContact O-N 3.29Å; E662-R665 WeakPolarHBondContact OE2-CD 3.03Å; E662-R665 IonicContact OE2-CZ 2.74Å; E662-R665 IonicContact OE2-NE 3.63Å; E662-R665 IonicContact OE2-NH1 2.86Å; E662-R665 PolarHBondContact OE2-NH1 3.44Å; Q663-R665 PolarHBondContact O-N 2.85Å; R665-N668 PolarHBondContact O-N 3.41Å; R665-A669 WeakPolarHBondContact O-CB 3.37Å; R665-A669 PolarHBondContact O-N 2.83Å
666	R	86.5	Confident	86.7	Confident	121 Å²	121	54.5 Å²	54.5	46%	0.457	27%	0.271	S	S	.	.	H	α-helix	trans	-58.9	-50.4	178	-165.4	-173.3	-160	134.6	9.4	111	D643 E662 Q663 N668 A669 L670	D643-R666 IonicContact OD1-CZ 3.15Å; D643-R666 VanDerWaalsContact OD1-CZ 3.23Å; D643-R666 IonicContact OD1-NE 2.98Å; D643-R666 PolarHBondContact OD1-NE 3.43Å; D643-R666 IonicContact OD1-NH2 2.67Å; D643-R666 PolarHBondContact OD1-NH2 3.15Å; D643-R666 VanDerWaalsContact OD1-NH2 3.07Å; D643-R666 IonicContact OD2-CZ 2.76Å; D643-R666 IonicContact OD2-NE 2.68Å; D643-R666 IonicContact OD2-NH2 3.26Å; D643-R666 PolarHBondContact OD2-NH2 2.94Å; E662-R666 WeakPolarHBondContact O-CB 3.33Å; E662-R666 PolarHBondContact O-N 3.28Å; Q663-R666 PolarHBondContact O-N 3.45Å; R666-N668 PolarHBondContact O-N 2.9Å; R666-A669 PolarHBondContact O-N 3.17Å; R666-L670 HydrophobicContact CG-CD1 4.19Å; R666-L670 WeakPolarHBondContact O-CB 3.47Å; R666-L670 VanDerWaalsContact O-CG 3.28Å; R666-L670 WeakPolarHBondContact O-CG 3.02Å; R666-L670 PolarHBondContact O-N 2.99Å
667	L	86.9	Confident	86.6	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-46.4	175.1	-70.8	172.6	0	0	0	111.6	Y543 F638 Y648 V655 A658 Q663 A669 L670 F671	Y543-L667 HydrophobicContact CD1-CB 4.07Å; Y543-L667 HydrophobicContact CD1-CD1 4.12Å; Y543-L667 HydrophobicContact CD2-CB 4.05Å; Y543-L667 HydrophobicContact CD2-CD1 4.45Å; Y543-L667 HydrophobicContact CE1-CB 4.24Å; Y543-L667 HydrophobicContact CE2-CB 4.22Å; Y543-L667 HydrophobicContact CG-CB 3.99Å; Y543-L667 HydrophobicContact CG-CD1 3.8Å; F638-L667 HydrophobicContact CD2-CD1 3.99Å; F638-L667 HydrophobicContact CD2-CD2 4.15Å; F638-L667 HydrophobicContact CD2-CG 4.18Å; F638-L667 HydrophobicContact CE2-CD1 4.42Å; F638-L667 HydrophobicContact CE2-CD2 4.2Å; F638-L667 HydrophobicContact CE2-CG 4.16Å; Y648-L667 HydrophobicContact CD1-CD2 4.42Å; Y648-L667 HydrophobicContact CE1-CD2 4.08Å; V655-L667 HydrophobicContact CB-CD1 3.86Å; V655-L667 HydrophobicContact CG1-CD1 3.9Å; V655-L667 HydrophobicContact CG1-CD2 4.29Å; V655-L667 HydrophobicContact CG2-CD1 4.29Å; V655-L667 HydrophobicContact CG2-CD2 4.22Å; A658-L667 HydrophobicContact CB-CD1 4.26Å; Q663-L667 WeakPolarHBondContact O-CB 3.29Å; Q663-L667 VanDerWaalsContact O-CG 3.27Å; Q663-L667 WeakPolarHBondContact O-CG 3.36Å; Q663-L667 PolarHBondContact O-N 3.44Å; L667-A669 VanDerWaalsContact C-N 3.33Å; L667-A669 PolarHBondContact O-N 3.12Å; L667-L670 PolarHBondContact O-N 3.47Å; L667-F671 HydrophobicContact CB-CD2 4.44Å; L667-F671 HydrophobicContact CB-CE2 4.43Å; L667-F671 HydrophobicContact CD2-CE2 4.25Å; L667-F671 WeakPolarHBondContact O-CD2 3.47Å; L667-F671 PolarHBondContact O-N 3.44Å
668	N	88.8	Confident	86.7	Confident	46 Å²	46	52.8 Å²	52.8	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-40.5	178.6	-166.7	64.7	0	0	0	112.9	A486 Y543 H664 R665 R666 A672	A486-N668 WeakPolarHBondContact CA-OD1 3.18Å; Y543-N668 HydrophobicContact CE2-CB 3.89Å; Y543-N668 PolarHBondContact OH-OD1 2.97Å; H664-N668 VanDerWaalsContact O-CB 3.29Å; H664-N668 WeakPolarHBondContact O-CB 3.49Å; H664-N668 PolarHBondContact O-N 3.1Å; R665-N668 PolarHBondContact O-N 3.41Å; R666-N668 PolarHBondContact O-N 2.9Å; N668-A672 WeakPolarHBondContact O-CB 3.08Å; N668-A672 PolarHBondContact O-N 3.01Å
669	A	87.5	Confident	86.9	Confident	60 Å²	60	57.4 Å²	57.4	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-42.2	175.6	0	0	0	0	0	111.9	R665 R666 L667 A672 D673	R665-A669 WeakPolarHBondContact O-CB 3.37Å; R665-A669 PolarHBondContact O-N 2.83Å; R666-A669 PolarHBondContact O-N 3.17Å; L667-A669 VanDerWaalsContact C-N 3.33Å; L667-A669 PolarHBondContact O-N 3.12Å; A669-A672 PolarHBondContact O-N 3.49Å; A669-D673 WeakPolarHBondContact O-CB 3.23Å; A669-D673 PolarHBondContact O-N 3.48Å
670	L	86.6	Confident	87.2	Confident	32 Å²	32	58.4 Å²	58.4	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-50.1	178.4	-71.7	169.3	0	0	0	112.3	R645 R666 L667 A672 D673 Y674	R645-L670 HydrophobicContact CG-CD2 4.09Å; R666-L670 HydrophobicContact CG-CD1 4.19Å; R666-L670 WeakPolarHBondContact O-CB 3.47Å; R666-L670 VanDerWaalsContact O-CG 3.28Å; R666-L670 WeakPolarHBondContact O-CG 3.02Å; R666-L670 PolarHBondContact O-N 2.99Å; L667-L670 PolarHBondContact O-N 3.47Å; L670-A672 PolarHBondContact O-N 3.09Å; L670-D673 PolarHBondContact O-N 3.13Å; L670-Y674 PolarHBondContact O-N 3.25Å
671	F	87.3	Confident	87.3	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-36.4	177.8	-72.6	-65	0	0	0	112.3	Y543 Y648 I652 V655 L667 E675	Y543-F671 HydrophobicContact CD1-CD2 4.23Å; Y543-F671 AromaticContact CD1-CE2 3.99Å; Y543-F671 HydrophobicContact CD1-CE2 3.99Å; Y543-F671 AromaticContact CE1-CD2 3.35Å; Y543-F671 HydrophobicContact CE1-CD2 3.35Å; Y543-F671 AromaticContact CE1-CE2 3.53Å; Y543-F671 HydrophobicContact CE1-CE2 3.53Å; Y543-F671 HydrophobicContact CE1-CG 4.43Å; Y543-F671 AromaticContact CZ-CD2 3.88Å; Y648-F671 HydrophobicContact CD1-CZ 4.19Å; I652-F671 HydrophobicContact CB-CZ 4.43Å; V655-F671 HydrophobicContact CG2-CE2 3.95Å; V655-F671 HydrophobicContact CG2-CZ 4.05Å; L667-F671 HydrophobicContact CB-CD2 4.44Å; L667-F671 HydrophobicContact CB-CE2 4.43Å; L667-F671 HydrophobicContact CD2-CE2 4.25Å; L667-F671 WeakPolarHBondContact O-CD2 3.47Å; L667-F671 PolarHBondContact O-N 3.44Å; F671-E675 WeakPolarHBondContact O-CB 3.46Å; F671-E675 WeakPolarHBondContact O-CG 3.1Å; F671-E675 PolarHBondContact O-N 2.98Å
672	A	87.6	Confident	87.6	Confident	35 Å²	35	66 Å²	66	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-38.9	175.3	0	0	0	0	0	112.7	F547 N668 A669 L670 L676	F547-A672 HydrophobicContact CE2-CB 4.41Å; N668-A672 WeakPolarHBondContact O-CB 3.08Å; N668-A672 PolarHBondContact O-N 3.01Å; A669-A672 PolarHBondContact O-N 3.49Å; L670-A672 PolarHBondContact O-N 3.09Å; A672-L676 WeakPolarHBondContact O-CB 3.27Å; A672-L676 PolarHBondContact O-N 2.91Å
673	D	87.7	Confident	87.8	Confident	56 Å²	56	65.3 Å²	65.3	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-70.8	-35.8	177.1	-169.6	52	0	0	0	112.2	R645 A669 L670 S677	R645-D673 IonicContact CZ-OD2 3.84Å; R645-D673 IonicContact NH1-OD2 3.68Å; R645-D673 PolarHBondContact NH1-OD2 3.14Å; R645-D673 IonicContact NH2-OD2 3.66Å; R645-D673 PolarHBondContact NH2-OD2 2.87Å; A669-D673 WeakPolarHBondContact O-CB 3.23Å; A669-D673 PolarHBondContact O-N 3.48Å; L670-D673 PolarHBondContact O-N 3.13Å; D673-S677 WeakPolarHBondContact O-CB 3.21Å; D673-S677 PolarHBondContact O-N 3.22Å; D673-S677 PolarHBondContact O-OG 2.9Å
674	Y	85.6	Confident	87.8	Confident	101 Å²	101	69 Å²	69	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-52.9	172.1	-173.1	-77.5	0	0	0	111.4	S650 L670 L676 S677 L678	S650-Y674 VanDerWaalsContact CB-CE1 3.44Å; L670-Y674 PolarHBondContact O-N 3.25Å; Y674-L676 VanDerWaalsContact C-N 3.31Å; Y674-L676 PolarHBondContact O-N 3.08Å; Y674-S677 WeakPolarHBondContact O-CB 3.35Å; Y674-S677 PolarHBondContact O-N 2.88Å; Y674-S677 VanDerWaalsContact O-N 3.13Å; Y674-L678 PolarHBondContact O-N 3.25Å
675	E	87.4	Confident	88.1	Confident	21 Å²	21	74.6 Å²	74.6	10%	0.098	37%	0.372	C	S	.	.	H	α-helix	trans	-66.1	-33.5	-179.9	-68.8	-78.8	179	0	0	112	F547 K551 F671 S677 L679	F547-E675 HydrophobicContact CB-CG 3.77Å; F547-E675 WeakPolarHBondContact CB-OE1 3.28Å; F547-E675 HydrophobicContact CD1-CB 4.43Å; F547-E675 HydrophobicContact CD1-CG 4.25Å; F547-E675 HydrophobicContact CD2-CB 4.46Å; F547-E675 HydrophobicContact CD2-CG 3.85Å; F547-E675 HydrophobicContact CE2-CG 4.49Å; F547-E675 HydrophobicContact CG-CB 4.33Å; F547-E675 HydrophobicContact CG-CG 3.71Å; K551-E675 IonicContact NZ-OE1 3.55Å; K551-E675 PolarHBondContact NZ-OE1 3.27Å; K551-E675 IonicContact NZ-OE2 2.65Å; K551-E675 PolarHBondContact NZ-OE2 3.2Å; F671-E675 WeakPolarHBondContact O-CB 3.46Å; F671-E675 WeakPolarHBondContact O-CG 3.1Å; F671-E675 PolarHBondContact O-N 2.98Å; E675-S677 VanDerWaalsContact C-N 3.35Å; E675-L679 WeakPolarHBondContact O-CB 3.32Å; E675-L679 PolarHBondContact O-N 3.16Å
676	L	88.3	Confident	88.2	Confident	84 Å²	84	71.7 Å²	71.7	44%	0.44	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-32.5	172.8	178.5	147.5	0	0	0	112.5	A672 Y674 K680	A672-L676 WeakPolarHBondContact O-CB 3.27Å; A672-L676 PolarHBondContact O-N 2.91Å; Y674-L676 VanDerWaalsContact C-N 3.31Å; Y674-L676 PolarHBondContact O-N 3.08Å; L676-K680 HydrophobicContact CD2-CD 4.09Å; L676-K680 VanDerWaalsContact CD2-CE 3.46Å; L676-K680 VanDerWaalsContact CD2-NZ 3.34Å; L676-K680 VanDerWaalsContact O-CG 3.31Å; L676-K680 WeakPolarHBondContact O-CG 3.3Å; L676-K680 PolarHBondContact O-N 3.48Å; L676-K680 VanDerWaalsContact O-N 3.15Å
677	S	87.9	Confident	88.2	Confident	45 Å²	45	68 Å²	68	32%	0.315	36%	0.36	S	S	.	.	H	α-helix	trans	-72.7	-48.7	174.6	-58.8	0	0	0	0	111.1	D673 Y674 E675 L679 K680 E681	D673-S677 WeakPolarHBondContact O-CB 3.21Å; D673-S677 PolarHBondContact O-N 3.22Å; D673-S677 PolarHBondContact O-OG 2.9Å; Y674-S677 WeakPolarHBondContact O-CB 3.35Å; Y674-S677 PolarHBondContact O-N 2.88Å; Y674-S677 VanDerWaalsContact O-N 3.13Å; E675-S677 VanDerWaalsContact C-N 3.35Å; S677-L679 VanDerWaalsContact C-N 3.27Å; S677-L679 PolarHBondContact O-N 3.43Å; S677-K680 WeakPolarHBondContact O-CB 3.24Å; S677-K680 PolarHBondContact O-N 2.89Å; S677-K680 VanDerWaalsContact O-N 3.09Å; S677-E681 PolarHBondContact O-N 3.17Å; S677-E681 VanDerWaalsContact O-N 3.07Å
678	L	87.3	Confident	88.1	Confident	46 Å²	46	72.4 Å²	72.4	24%	0.241	38%	0.384	C	S	.	.	H	α-helix	trans	-57.4	-39.4	174.2	179.5	64.2	0	0	0	112.2	Y674 Q682	Y674-L678 PolarHBondContact O-N 3.25Å; L678-Q682 VanDerWaalsContact O-CG 3.32Å; L678-Q682 WeakPolarHBondContact O-CG 3.15Å; L678-Q682 PolarHBondContact O-N 3.38Å; L678-Q682 VanDerWaalsContact O-N 3.15Å
679	L	88.9	Confident	88.1	Confident	96 Å²	96	75.8 Å²	75.8	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-68.8	-36.2	176.7	-177	62.3	0	0	0	112.3	E675 S677 Q682 L683	E675-L679 WeakPolarHBondContact O-CB 3.32Å; E675-L679 PolarHBondContact O-N 3.16Å; S677-L679 VanDerWaalsContact C-N 3.27Å; S677-L679 PolarHBondContact O-N 3.43Å; L679-Q682 PolarHBondContact O-N 3.04Å; L679-L683 HydrophobicContact CD1-CD1 4.43Å; L679-L683 HydrophobicContact CD1-CG 4.44Å; L679-L683 HydrophobicContact CG-CD1 4.04Å; L679-L683 WeakPolarHBondContact O-CB 3.35Å; L679-L683 WeakPolarHBondContact O-CG 3.45Å; L679-L683 PolarHBondContact O-N 2.76Å
680	K	90.1	Very high	87.9	Confident	113 Å²	113	75.3 Å²	75.3	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-49.6	173.7	-77.9	167.1	177	172.4	0	111.5	L676 S677 Q682 L683 D684	L676-K680 HydrophobicContact CD2-CD 4.09Å; L676-K680 VanDerWaalsContact CD2-CE 3.46Å; L676-K680 VanDerWaalsContact CD2-NZ 3.34Å; L676-K680 VanDerWaalsContact O-CG 3.31Å; L676-K680 WeakPolarHBondContact O-CG 3.3Å; L676-K680 PolarHBondContact O-N 3.48Å; L676-K680 VanDerWaalsContact O-N 3.15Å; S677-K680 WeakPolarHBondContact O-CB 3.24Å; S677-K680 PolarHBondContact O-N 2.89Å; S677-K680 VanDerWaalsContact O-N 3.09Å; K680-Q682 VanDerWaalsContact C-N 3.26Å; K680-Q682 PolarHBondContact O-N 3.24Å; K680-L683 CarbonylContact O-C 3.31Å; K680-L683 WeakPolarHBondContact O-CA 3.43Å; K680-L683 PolarHBondContact O-N 2.87Å; K680-D684 PolarHBondContact O-N 2.93Å
681	E	89.2	Confident	87.7	Confident	125 Å²	125	76.9 Å²	76.9	58%	0.584	39%	0.394	S	S	*	.	H	α-helix	trans	-57.4	-41	178.4	-68.4	176.3	179.1	0	0	111.7	S677 L685	S677-E681 PolarHBondContact O-N 3.17Å; S677-E681 VanDerWaalsContact O-N 3.07Å; E681-L685 WeakPolarHBondContact O-CB 3.27Å; E681-L685 VanDerWaalsContact O-CG 3.25Å; E681-L685 WeakPolarHBondContact O-CG 3.39Å; E681-L685 PolarHBondContact O-N 3.09Å
682	Q	91.9	Very high	87.5	Confident	109 Å²	109	83.1 Å²	83.1	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-67	-36.8	174.8	-71.3	175	20.9	0	0	113.1	L678 L679 K680 L686	L678-Q682 VanDerWaalsContact O-CG 3.32Å; L678-Q682 WeakPolarHBondContact O-CG 3.15Å; L678-Q682 PolarHBondContact O-N 3.38Å; L678-Q682 VanDerWaalsContact O-N 3.15Å; L679-Q682 PolarHBondContact O-N 3.04Å; K680-Q682 VanDerWaalsContact C-N 3.26Å; K680-Q682 PolarHBondContact O-N 3.24Å; Q682-L686 WeakPolarHBondContact O-CB 3.47Å; Q682-L686 PolarHBondContact O-N 3.33Å
683	L	87.8	Confident	87.3	Confident	97 Å²	97	86.3 Å²	86.3	51%	0.508	44%	0.435	S	S	.	.	H	α-helix	trans	-70.4	-40.1	175.9	-75.2	168.1	0	0	0	112.3	L679 K680 S687	L679-L683 HydrophobicContact CD1-CD1 4.43Å; L679-L683 HydrophobicContact CD1-CG 4.44Å; L679-L683 HydrophobicContact CG-CD1 4.04Å; L679-L683 WeakPolarHBondContact O-CB 3.35Å; L679-L683 WeakPolarHBondContact O-CG 3.45Å; L679-L683 PolarHBondContact O-N 2.76Å; K680-L683 CarbonylContact O-C 3.31Å; K680-L683 WeakPolarHBondContact O-CA 3.43Å; K680-L683 PolarHBondContact O-N 2.87Å; L683-S687 WeakPolarHBondContact O-CB 3.35Å; L683-S687 PolarHBondContact O-N 3.16Å
684	D	87	Confident	86.6	Confident	105 Å²	105	88 Å²	88	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-67.7	-43.7	178.1	-70.1	-30.2	0	0	0	110.8	K680 S687 N688	K680-D684 PolarHBondContact O-N 2.93Å; D684-S687 PolarHBondContact O-N 3.09Å; D684-N688 VanDerWaalsContact O-CG 3.24Å; D684-N688 PolarHBondContact O-N 3.43Å; D684-N688 PolarHBondContact O-ND2 3.23Å
685	L	92	Very high	86.1	Confident	124 Å²	124	86.9 Å²	86.9	65%	0.649	44%	0.444	S	S	*	.	H	α-helix	trans	-60.7	-48.8	173.6	-73.1	170.6	0	0	0	112	E681 S687 N688 E689	E681-L685 WeakPolarHBondContact O-CB 3.27Å; E681-L685 VanDerWaalsContact O-CG 3.25Å; E681-L685 WeakPolarHBondContact O-CG 3.39Å; E681-L685 PolarHBondContact O-N 3.09Å; L685-S687 VanDerWaalsContact C-N 3.34Å; L685-S687 PolarHBondContact O-N 2.94Å; L685-N688 PolarHBondContact O-N 3.03Å; L685-E689 PolarHBondContact O-N 2.81Å
686	L	89.6	Confident	85.6	Confident	86 Å²	86	92.4 Å²	92.4	45%	0.45	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-35.6	178.5	-179.7	61.9	0	0	0	112.2	Q682 N688 E689 I690	Q682-L686 WeakPolarHBondContact O-CB 3.47Å; Q682-L686 PolarHBondContact O-N 3.33Å; L686-N688 VanDerWaalsContact C-N 3.34Å; L686-E689 PolarHBondContact O-N 3.16Å; L686-I690 HydrophobicContact CD1-CD1 4.09Å; L686-I690 HydrophobicContact CD1-CG1 4.31Å; L686-I690 HydrophobicContact CG-CD1 3.93Å; L686-I690 WeakPolarHBondContact O-CB 3.38Å; L686-I690 WeakPolarHBondContact O-CD1 3.21Å; L686-I690 VanDerWaalsContact O-CG1 3.23Å; L686-I690 WeakPolarHBondContact O-CG1 3.49Å; L686-I690 PolarHBondContact O-N 3.28Å
687	S	86.6	Confident	84.9	Confident	43 Å²	43	93.5 Å²	93.5	30%	0.301	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-40	174.7	-177.5	0	0	0	0	111.3	L683 D684 L685 M691	L683-S687 WeakPolarHBondContact O-CB 3.35Å; L683-S687 PolarHBondContact O-N 3.16Å; D684-S687 PolarHBondContact O-N 3.09Å; L685-S687 VanDerWaalsContact C-N 3.34Å; L685-S687 PolarHBondContact O-N 2.94Å; S687-M691 WeakPolarHBondContact O-CB 3.47Å; S687-M691 VanDerWaalsContact O-CG 3.22Å; S687-M691 WeakPolarHBondContact O-CG 3.38Å; S687-M691 PolarHBondContact O-N 3.27Å
688	N	85.8	Confident	83.9	Confident	94 Å²	94	98.7 Å²	98.7	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-68.3	-46.9	176	-67.1	-28	0	0	0	111.4	D684 L685 L686 I690 M691 E692	D684-N688 VanDerWaalsContact O-CG 3.24Å; D684-N688 PolarHBondContact O-N 3.43Å; D684-N688 PolarHBondContact O-ND2 3.23Å; L685-N688 PolarHBondContact O-N 3.03Å; L686-N688 VanDerWaalsContact C-N 3.34Å; N688-I690 VanDerWaalsContact C-N 3.31Å; N688-I690 PolarHBondContact O-N 3.07Å; N688-M691 PolarHBondContact O-N 3.41Å; N688-M691 VanDerWaalsContact O-N 3.11Å; N688-E692 WeakPolarHBondContact O-CG 3.28Å; N688-E692 PolarHBondContact O-N 3.44Å
689	E	88.1	Confident	83	Confident	116 Å²	116	102.3 Å²	102.3	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-55.4	-44.2	176	-176.8	177.7	-161.8	0	0	111.7	L685 L686 L693	L685-E689 PolarHBondContact O-N 2.81Å; L686-E689 PolarHBondContact O-N 3.16Å; E689-L693 HydrophobicContact CG-CD1 4.21Å; E689-L693 VanDerWaalsContact O-CG 3.26Å; E689-L693 WeakPolarHBondContact O-CG 3.38Å; E689-L693 PolarHBondContact O-N 3.29Å; E689-L693 VanDerWaalsContact O-N 3.1Å
690	I	83.2	Confident	82.1	Confident	50 Å²	50	104.4 Å²	104.4	26%	0.256	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-46.3	175.5	-68.8	167	0	0	0	111.3	L686 N688 E692 L693 Y694 L705	L686-I690 HydrophobicContact CD1-CD1 4.09Å; L686-I690 HydrophobicContact CD1-CG1 4.31Å; L686-I690 HydrophobicContact CG-CD1 3.93Å; L686-I690 WeakPolarHBondContact O-CB 3.38Å; L686-I690 WeakPolarHBondContact O-CD1 3.21Å; L686-I690 VanDerWaalsContact O-CG1 3.23Å; L686-I690 WeakPolarHBondContact O-CG1 3.49Å; L686-I690 PolarHBondContact O-N 3.28Å; N688-I690 VanDerWaalsContact C-N 3.31Å; N688-I690 PolarHBondContact O-N 3.07Å; I690-E692 VanDerWaalsContact C-N 3.33Å; I690-E692 PolarHBondContact O-N 3.06Å; I690-L693 PolarHBondContact O-N 3.18Å; I690-Y694 HydrophobicContact CG2-CD2 3.81Å; I690-Y694 HydrophobicContact CG2-CE2 3.96Å; I690-Y694 WeakPolarHBondContact O-CD2 3.46Å; I690-Y694 PolarHBondContact O-N 3.28Å; I690-Y694 VanDerWaalsContact O-N 3.16Å; I690-L705 HydrophobicContact CB-CD1 3.99Å; I690-L705 HydrophobicContact CG2-CD1 3.67Å; I690-L705 HydrophobicContact CG2-CD2 3.85Å; I690-L705 HydrophobicContact CG2-CG 4.44Å
691	M	81.8	Confident	81.2	Confident	66 Å²	66	101.4 Å²	101.4	33%	0.325	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-34.9	-179.3	-74.5	-60.8	-55.6	0	0	112.8	S687 N688 S695 I701 L703 L705	S687-M691 WeakPolarHBondContact O-CB 3.47Å; S687-M691 VanDerWaalsContact O-CG 3.22Å; S687-M691 WeakPolarHBondContact O-CG 3.38Å; S687-M691 PolarHBondContact O-N 3.27Å; N688-M691 PolarHBondContact O-N 3.41Å; N688-M691 VanDerWaalsContact O-N 3.11Å; M691-S695 WeakPolarHBondContact O-CB 3.42Å; M691-S695 PolarHBondContact O-N 2.67Å; M691-S695 PolarHBondContact O-OG 2.04Å; M691-I701 HydrophobicContact SD-CD1 3.75Å; M691-L703 HydrophobicContact SD-CD2 3.96Å; M691-L705 HydrophobicContact CG-CD1 4.12Å; M691-L705 HydrophobicContact SD-CD1 4.23Å
692	E	83.9	Confident	80.5	Confident	133 Å²	133	96.7 Å²	96.7	62%	0.621	51%	0.509	S	S	*	.	H	α-helix	trans	-65.1	-53.3	172.7	-72.3	176.8	-178.6	0	0	111	N688 I690 Y694 S695 D696	N688-E692 WeakPolarHBondContact O-CG 3.28Å; N688-E692 PolarHBondContact O-N 3.44Å; I690-E692 VanDerWaalsContact C-N 3.33Å; I690-E692 PolarHBondContact O-N 3.06Å; E692-Y694 VanDerWaalsContact C-N 3.27Å; E692-Y694 PolarHBondContact O-N 3.15Å; E692-S695 WeakPolarHBondContact O-CB 3.24Å; E692-S695 PolarHBondContact O-N 2.7Å; E692-D696 PolarHBondContact O-N 3.36Å
693	L	82.1	Confident	79.8	Confident	103 Å²	103	96.5 Å²	96.5	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-55.3	-37.5	-179	-73.4	168.1	0	0	0	113.8	E689 I690 N697	E689-L693 HydrophobicContact CG-CD1 4.21Å; E689-L693 VanDerWaalsContact O-CG 3.26Å; E689-L693 WeakPolarHBondContact O-CG 3.38Å; E689-L693 PolarHBondContact O-N 3.29Å; E689-L693 VanDerWaalsContact O-N 3.1Å; I690-L693 PolarHBondContact O-N 3.18Å; L693-N697 PolarHBondContact O-ND2 2.04Å
694	Y	74.5	Confident	79.4	Confident	91 Å²	91	94.9 Å²	94.9	36%	0.357	51%	0.507	S	S	.	.	H	α-helix	trans	-81	-28.2	177.7	-84.8	-78.2	0	0	0	113.7	I690 E692 N697 N698 E699 I701	I690-Y694 HydrophobicContact CG2-CD2 3.81Å; I690-Y694 HydrophobicContact CG2-CE2 3.96Å; I690-Y694 WeakPolarHBondContact O-CD2 3.46Å; I690-Y694 PolarHBondContact O-N 3.28Å; I690-Y694 VanDerWaalsContact O-N 3.16Å; E692-Y694 VanDerWaalsContact C-N 3.27Å; E692-Y694 PolarHBondContact O-N 3.15Å; Y694-N697 PolarHBondContact O-N 3.23Å; Y694-N698 PolarHBondContact O-N 2.96Å; Y694-E699 HydrophobicContact CD1-CB 3.84Å; Y694-E699 HydrophobicContact CE1-CB 4.24Å; Y694-I701 VanDerWaalsContact CB-CD1 3.48Å; Y694-I701 HydrophobicContact CD1-CD1 4.32Å; Y694-I701 HydrophobicContact CD1-CG1 3.73Å; Y694-I701 HydrophobicContact CD2-CD1 3.56Å; Y694-I701 HydrophobicContact CD2-CG1 3.84Å; Y694-I701 HydrophobicContact CE1-CG1 4.31Å; Y694-I701 HydrophobicContact CE2-CD1 4.34Å; Y694-I701 HydrophobicContact CE2-CG1 4.39Å; Y694-I701 HydrophobicContact CG-CD1 3.54Å; Y694-I701 HydrophobicContact CG-CG1 3.47Å; Y694-I701 VanDerWaalsContact CG-CG1 3.47Å
695	S	75.7	Confident	79	Confident	77 Å²	77	92.3 Å²	92.3	54%	0.538	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-41.1	177	-64.3	0	0	0	0	111.5	M691 E692 N697 N698	M691-S695 WeakPolarHBondContact O-CB 3.42Å; M691-S695 PolarHBondContact O-N 2.67Å; M691-S695 PolarHBondContact O-OG 2.04Å; E692-S695 WeakPolarHBondContact O-CB 3.24Å; E692-S695 PolarHBondContact O-N 2.7Å; S695-N697 VanDerWaalsContact C-N 3.31Å; S695-N697 PolarHBondContact O-N 3.42Å; S695-N698 PolarHBondContact O-N 2.89Å
696	D	75.8	Confident	78.4	Confident	137 Å²	137	90.4 Å²	90.4	73%	0.733	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-35	175.4	-77.4	-12	0	0	0	112.6	E692	E692-D696 PolarHBondContact O-N 3.36Å
697	N	73.5	Confident	78	Confident	108 Å²	108	90 Å²	90	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-83.9	-9.4	-176.6	-72.4	-27.7	0	0	0	114.7	L693 Y694 S695 E699	L693-N697 PolarHBondContact O-ND2 2.04Å; Y694-N697 PolarHBondContact O-N 3.23Å; S695-N697 VanDerWaalsContact C-N 3.31Å; S695-N697 PolarHBondContact O-N 3.42Å; N697-E699 HydrophobicContact CB-CB 4.5Å; N697-E699 HydrophobicContact CB-CG 4.32Å; N697-E699 PolarHBondContact O-N 3.49Å
698	N	67.2	Low	77.8	Confident	154 Å²	154	91.4 Å²	91.4	82%	0.824	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	24	-170.8	-71.5	-86.4	0	0	0	114.7	Y694 S695	Y694-N698 PolarHBondContact O-N 2.96Å; S695-N698 PolarHBondContact O-N 2.89Å
699	E	68.6	Low	77.6	Confident	121 Å²	121	92.3 Å²	92.3	57%	0.565	51%	0.512	S	S	*	.			trans	-87.5	137	178.3	-79.8	-170.3	172.2	0	0	112	Y694 N697 I701	Y694-E699 HydrophobicContact CD1-CB 3.84Å; Y694-E699 HydrophobicContact CE1-CB 4.24Å; N697-E699 HydrophobicContact CB-CB 4.5Å; N697-E699 HydrophobicContact CB-CG 4.32Å; N697-E699 PolarHBondContact O-N 3.49Å; E699-I701 PolarHBondContact O-N 3.31Å
700	T	68.9	Low	77.4	Confident	141 Å²	141	88.8 Å²	88.8	87%	0.865	50%	0.499	S	S	*	.			trans	-84.2	98.8	-176.7	56	0	0	0	0	112.2
701	I	72.5	Confident	77.5	Confident	49 Å²	49	92 Å²	92	25%	0.251	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-70.6	146	172.5	-28.8	170.6	0	0	0	111.5	M691 Y694 E699 L703 L705	M691-I701 HydrophobicContact SD-CD1 3.75Å; Y694-I701 VanDerWaalsContact CB-CD1 3.48Å; Y694-I701 HydrophobicContact CD1-CD1 4.32Å; Y694-I701 HydrophobicContact CD1-CG1 3.73Å; Y694-I701 HydrophobicContact CD2-CD1 3.56Å; Y694-I701 HydrophobicContact CD2-CG1 3.84Å; Y694-I701 HydrophobicContact CE1-CG1 4.31Å; Y694-I701 HydrophobicContact CE2-CD1 4.34Å; Y694-I701 HydrophobicContact CE2-CG1 4.39Å; Y694-I701 HydrophobicContact CG-CD1 3.54Å; Y694-I701 HydrophobicContact CG-CG1 3.47Å; Y694-I701 VanDerWaalsContact CG-CG1 3.47Å; E699-I701 PolarHBondContact O-N 3.31Å; I701-L703 PolarHBondContact O-N 3.13Å; I701-L705 HydrophobicContact CD1-CD2 4.28Å; I701-L705 HydrophobicContact CG2-CD2 3.79Å
702	A	73.5	Confident	77.6	Confident	26 Å²	26	95.2 Å²	95.2	22%	0.215	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-73.2	116.1	159.7	0	0	0	0	0	111.2	P710	A702-P710 HydrophobicContact CB-CG 4.35Å
703	L	77.7	Confident	77.6	Confident	105 Å²	105	90.7 Å²	90.7	55%	0.55	50%	0.503	S	S	.	.	S	Bend	trans	-91.2	151.5	170.9	-66.2	174.8	0	0	0	111.5	M691 I701 L705 R786	M691-L703 HydrophobicContact SD-CD2 3.96Å; I701-L703 PolarHBondContact O-N 3.13Å; L703-L705 HydrophobicContact CD2-CG 4.44Å; L703-R786 PolarHBondContact O-NH1 3Å
704	P	79.5	Confident	77.7	Confident	64 Å²	64	92.1 Å²	92.1	42%	0.416	52%	0.516	S	S	.	.	S	Bend	cis	-76.9	158.1	-8.5	34.6	-35.9	0	0	0	112.6	L707 L811	P704-L707 HydrophobicContact CG-CD1 3.83Å; P704-L707 HydrophobicContact CG-CG 4.43Å; P704-L811 HydrophobicContact CG-CD2 4.4Å
705	L	79.1	Confident	78.3	Confident	50 Å²	50	94.5 Å²	94.5	26%	0.262	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	156	176	-65.3	178.3	0	0	0	112.4	I690 M691 I701 L703 L707	I690-L705 HydrophobicContact CB-CD1 3.99Å; I690-L705 HydrophobicContact CG2-CD1 3.67Å; I690-L705 HydrophobicContact CG2-CD2 3.85Å; I690-L705 HydrophobicContact CG2-CG 4.44Å; M691-L705 HydrophobicContact CG-CD1 4.12Å; M691-L705 HydrophobicContact SD-CD1 4.23Å; I701-L705 HydrophobicContact CD1-CD2 4.28Å; I701-L705 HydrophobicContact CG2-CD2 3.79Å; L703-L705 HydrophobicContact CD2-CG 4.44Å; L705-L707 VanDerWaalsContact C-N 3.25Å; L705-L707 PolarHBondContact O-N 3.32Å
706	G	78.3	Confident	78.7	Confident	85 Å²	85	99.8 Å²	99.8	88%	0.876	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-5.6	179.6	0	0	0	0	0	115.1
707	L	82	Confident	78.8	Confident	78 Å²	78	101.6 Å²	101.6	41%	0.408	54%	0.54	S	S	.	.	S	Bend	trans	-102.1	161.9	168.6	-60.1	-176.9	0	0	0	110.9	P704 L705 L811	P704-L707 HydrophobicContact CG-CD1 3.83Å; P704-L707 HydrophobicContact CG-CG 4.43Å; L705-L707 VanDerWaalsContact C-N 3.25Å; L705-L707 PolarHBondContact O-N 3.32Å; L707-L811 HydrophobicContact CD1-CD2 3.44Å; L707-L811 VanDerWaalsContact CD1-CD2 3.44Å; L707-L811 HydrophobicContact CD1-CG 4.33Å
708	S	81.4	Confident	79.3	Confident	72 Å²	72	99.6 Å²	99.6	50%	0.503	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-65	161.4	172.6	-54.4	0	0	0	0	112	R786	S708-R786 WeakPolarHBondContact O-CD 3.28Å
709	E	82.9	Confident	80.2	Confident	113 Å²	113	97.1 Å²	97.1	53%	0.528	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-58.1	155.4	169.7	-68.3	-163.6	113.8	0	0	112.3	K712	E709-K712 IonicContact OE1-NZ 2.78Å; E709-K712 PolarHBondContact OE1-NZ 3.22Å; E709-K712 IonicContact OE2-NZ 3.33Å; E709-K712 PolarHBondContact OE2-NZ 3.27Å
710	P	83.8	Confident	81.1	Confident	41 Å²	41	93.6 Å²	93.6	27%	0.266	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-61.9	150.9	173.5	-13	25.5	0	0	0	111.6	A702 K712 D783	A702-P710 HydrophobicContact CB-CG 4.35Å; P710-K712 PolarHBondContact O-N 3.28Å; P710-K712 VanDerWaalsContact O-N 3.14Å; P710-D783 VanDerWaalsContact CA-OD2 3.29Å; P710-D783 WeakPolarHBondContact CA-OD2 3.43Å
711	W	85.1	Confident	82	Confident	117 Å²	117	93.4 Å²	93.4	44%	0.443	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-57.6	117.7	175.1	178.5	-93.2	0	0	0	112.2	L720 D783 V785	W711-L720 HydrophobicContact CB-CD1 3.72Å; W711-L720 HydrophobicContact CG-CD1 3.85Å; W711-D783 PolarHBondContact N-OD2 3.11Å; W711-V785 HydrophobicContact CE3-CG2 4.04Å
712	K	84.1	Confident	82.8	Confident	135 Å²	135	96 Å²	96	59%	0.587	50%	0.5	S	S	*	.			trans	-96.7	95.9	179.1	-71.4	168.5	-176.3	170.8	0	110.2	E709 P710 V714	E709-K712 IonicContact OE1-NZ 2.78Å; E709-K712 PolarHBondContact OE1-NZ 3.22Å; E709-K712 IonicContact OE2-NZ 3.33Å; E709-K712 PolarHBondContact OE2-NZ 3.27Å; P710-K712 PolarHBondContact O-N 3.28Å; P710-K712 VanDerWaalsContact O-N 3.14Å; K712-V714 PolarHBondContact O-N 2.84Å
713	S	84.2	Confident	83.7	Confident	37 Å²	37	97.6 Å²	97.6	26%	0.259	51%	0.505	S	S	.	.			trans	-61	123.5	-179.6	-54.3	0	0	0	0	112.9	D718 L719	S713-D718 VanDerWaalsContact CB-O 3.24Å; S713-D718 WeakPolarHBondContact CB-O 3.47Å; S713-D718 PolarHBondContact OG-O 3.29Å; S713-L719 WeakPolarHBondContact OG-CA 3.4Å
714	V	83.9	Confident	84.5	Confident	134 Å²	134	95.8 Å²	95.8	81%	0.812	49%	0.493	S	S	*	.	S	Bend	trans	-82.3	-36.8	-178.8	-178.4	0	0	0	0	112	K712	K712-V714 PolarHBondContact O-N 2.84Å
715	K	85.7	Confident	85.3	Confident	140 Å²	140	92.9 Å²	92.9	61%	0.609	47%	0.474	S	S	*	.	S	Bend	trans	-114.1	156.1	177	-51.8	164.9	-173.7	165	0	110.6	H717 D718	K715-H717 PolarHBondContact O-N 3.02Å; K715-D718 WeakPolarHBondContact CB-OD2 3.31Å; K715-D718 WeakPolarHBondContact CG-OD2 3.43Å; K715-D718 PolarHBondContact N-OD2 2.81Å; K715-D718 PolarHBondContact O-N 3.4Å
716	R	84.2	Confident	85.9	Confident	188 Å²	188	92.1 Å²	92.1	71%	0.709	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.8	177.1	76.6	172.8	-146.7	159.7	11	114.6	L719	R716-L719 HydrophobicContact CB-CD1 4.45Å; R716-L719 WeakPolarHBondContact O-CD1 3.41Å
717	H	79	Confident	86.5	Confident	176 Å²	176	92.1 Å²	92.1	82%	0.815	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.4	179.2	-55.6	109.1	0	0	0	112.5	K715 L719	K715-H717 PolarHBondContact O-N 3.02Å; H717-L719 VanDerWaalsContact C-N 3.28Å
718	D	82.8	Confident	87	Confident	65 Å²	65	94.7 Å²	94.7	35%	0.348	46%	0.457	S	S	.	.	S	Bend	trans	-93.4	10.5	176.2	-38.8	-31.8	0	0	0	111	S713 K715 L720	S713-D718 VanDerWaalsContact CB-O 3.24Å; S713-D718 WeakPolarHBondContact CB-O 3.47Å; S713-D718 PolarHBondContact OG-O 3.29Å; K715-D718 WeakPolarHBondContact CB-OD2 3.31Å; K715-D718 WeakPolarHBondContact CG-OD2 3.43Å; K715-D718 PolarHBondContact N-OD2 2.81Å; K715-D718 PolarHBondContact O-N 3.4Å; D718-L720 PolarHBondContact O-N 3.36Å
719	L	86.7	Confident	87.6	Confident	102 Å²	102	93.1 Å²	93.1	53%	0.534	44%	0.443	S	S	.	.			trans	-74.7	117.5	-177.8	-77	173.7	0	0	0	110.8	S713 R716 H717 L721	S713-L719 WeakPolarHBondContact OG-CA 3.4Å; R716-L719 HydrophobicContact CB-CD1 4.45Å; R716-L719 WeakPolarHBondContact O-CD1 3.41Å; H717-L719 VanDerWaalsContact C-N 3.28Å; L719-L721 PolarHBondContact O-N 2.83Å
720	L	88.4	Confident	88	Confident	47 Å²	47	88.6 Å²	88.6	25%	0.246	42%	0.422	C	S	.	.			trans	-74	106.8	172.8	-57.3	174	0	0	0	109	W711 D718 R781	W711-L720 HydrophobicContact CB-CD1 3.72Å; W711-L720 HydrophobicContact CG-CD1 3.85Å; D718-L720 PolarHBondContact O-N 3.36Å; L720-R781 HydrophobicContact CB-CG 4.08Å; L720-R781 WeakPolarHBondContact O-CD 3.22Å; L720-R781 PolarHBondContact O-NH1 3.42Å
721	L	86.9	Confident	88.3	Confident	138 Å²	138	90.2 Å²	90.2	72%	0.723	42%	0.423	S	S	*	.			trans	-73.6	169	176.4	-57.7	-179.1	0	0	0	111.4	L719 R781	L719-L721 PolarHBondContact O-N 2.83Å; L721-R781 VanDerWaalsContact O-CD 3.27Å; L721-R781 WeakPolarHBondContact O-CD 3.38Å; L721-R781 WeakPolarHBondContact O-CG 3.25Å
722	W	90.8	Very high	88.1	Confident	102 Å²	102	91.2 Å²	91.2	39%	0.386	44%	0.437	S	S	.	.			trans	-111.9	121.7	175	-72.5	91	0	0	0	109.6	F724 Y779 R780 R781 E789	W722-F724 PolarHBondContact O-N 2.85Å; W722-Y779 HydrophobicContact CB-CD1 4.43Å; W722-R780 CarbonylContact C-O 3.56Å; W722-R780 WeakPolarHBondContact CA-O 3.42Å; W722-R781 HydrophobicContact CD2-CB 3.79Å; W722-R781 HydrophobicContact CE3-CB 3.55Å; W722-R781 HydrophobicContact CG-CB 4.42Å; W722-R781 HydrophobicContact CH2-CB 4.17Å; W722-R781 HydrophobicContact CZ2-CB 4.38Å; W722-R781 HydrophobicContact CZ3-CB 3.76Å; W722-E789 HydrophobicContact CH2-CB 3.75Å; W722-E789 VanDerWaalsContact CH2-OE2 3.25Å; W722-E789 WeakPolarHBondContact CH2-OE2 3.38Å; W722-E789 WeakPolarHBondContact CZ2-OE2 3.48Å; W722-E789 HydrophobicContact CZ3-CB 4.04Å
723	D	91.9	Very high	87.5	Confident	60 Å²	60	87.8 Å²	87.8	32%	0.321	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.4	170.9	-43.8	-22.5	0	0	0	107.9	M730 Y779 R780	D723-M730 HydrophobicContact CB-CG 4.41Å; D723-M730 HydrophobicContact CB-SD 3.98Å; D723-Y779 CarbonylContact O-C 3.59Å; D723-Y779 VanDerWaalsContact O-CA 3.32Å; D723-Y779 WeakPolarHBondContact O-CA 3.48Å; D723-R780 HydrophobicContact CB-CG 3.78Å; D723-R780 PolarHBondContact N-O 3.39Å; D723-R780 PolarHBondContact O-N 3.1Å; D723-R780 IonicContact OD2-CZ 3.64Å; D723-R780 IonicContact OD2-NE 2.8Å; D723-R780 PolarHBondContact OD2-NE 3.3Å; D723-R780 IonicContact OD2-NH2 3.16Å; D723-R780 PolarHBondContact OD2-NH2 3.17Å
724	F	94.5	Very high	86.7	Confident	68 Å²	68	87.8 Å²	87.8	30%	0.298	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.3	173.8	-179.7	-113.3	0	0	0	110.2	W722 Y731 G778 Y779	W722-F724 PolarHBondContact O-N 2.85Å; F724-Y731 AromaticContact CD1-CD2 3.47Å; F724-Y731 HydrophobicContact CD1-CD2 3.47Å; F724-Y731 VanDerWaalsContact CD1-CD2 3.47Å; F724-Y731 HydrophobicContact CD1-CE2 4.15Å; F724-Y731 AromaticContact CD1-CG 3.7Å; F724-Y731 HydrophobicContact CD1-CG 3.7Å; F724-Y731 AromaticContact CE1-CD2 3.85Å; F724-Y731 HydrophobicContact CE1-CD2 3.85Å; F724-Y731 HydrophobicContact CE1-CE2 4.04Å; F724-Y731 HydrophobicContact CE1-CG 4.26Å; F724-Y731 HydrophobicContact CG-CD2 4.45Å; F724-Y731 PolarHBondContact O-N 3.45Å; F724-G778 WeakPolarHBondContact CD2-O 3.45Å; F724-Y779 HydrophobicContact CB-CD1 4.36Å; F724-Y779 HydrophobicContact CB-CE1 4.32Å; F724-Y779 AromaticContact CD2-CD1 3.81Å; F724-Y779 HydrophobicContact CD2-CD1 3.81Å; F724-Y779 AromaticContact CD2-CE1 3.37Å; F724-Y779 HydrophobicContact CD2-CE1 3.37Å; F724-Y779 HydrophobicContact CD2-CE2 4.15Å; F724-Y779 HydrophobicContact CD2-CG 4.37Å; F724-Y779 AromaticContact CD2-CZ 3.55Å; F724-Y779 HydrophobicContact CE2-CE1 4.02Å; F724-Y779 HydrophobicContact CE2-CE2 4.17Å; F724-Y779 AromaticContact CE2-CZ 3.7Å; F724-Y779 HydrophobicContact CG-CE1 4.2Å
725	F	95.1	Very high	85.8	Confident	3 Å²	3	89 Å²	89	1%	0.013	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.2	-178.6	65.8	-87.8	0	0	0	112.8	N729 I750 L775 G778 R780 Y790	F725-N729 CarbonylContact C-O 3.55Å; F725-N729 VanDerWaalsContact CA-O 3.31Å; F725-N729 WeakPolarHBondContact CA-O 3.43Å; F725-N729 WeakPolarHBondContact CB-O 3.33Å; F725-I750 HydrophobicContact CD2-CD1 3.52Å; F725-I750 HydrophobicContact CD2-CG1 4.01Å; F725-I750 HydrophobicContact CD2-CG2 4.31Å; F725-I750 HydrophobicContact CE2-CB 4.4Å; F725-I750 HydrophobicContact CE2-CD1 3.75Å; F725-I750 HydrophobicContact CE2-CG1 3.67Å; F725-I750 HydrophobicContact CE2-CG2 3.86Å; F725-I750 HydrophobicContact CG-CD1 4.08Å; F725-I750 HydrophobicContact CZ-CD1 4.48Å; F725-I750 HydrophobicContact CZ-CG1 4.2Å; F725-L775 HydrophobicContact CD2-CD2 4.17Å; F725-L775 HydrophobicContact CE2-CD2 3.92Å; F725-G778 WeakPolarHBondContact CD1-O 3.46Å; F725-G778 PolarHBondContact N-O 2.67Å; F725-G778 PolarHBondContact O-N 3.07Å; F725-R780 HydrophobicContact CD1-CB 4.38Å; F725-R780 HydrophobicContact CD1-CG 4.11Å; F725-R780 HydrophobicContact CE1-CB 3.79Å; F725-R780 HydrophobicContact CE1-CG 4.02Å; F725-Y790 HydrophobicContact CE1-CD1 4.42Å; F725-Y790 HydrophobicContact CZ-CD1 4.26Å
726	D	93.1	Very high	84.8	Confident	34 Å²	34	86.8 Å²	86.8	18%	0.182	42%	0.421	C	S	.	.			trans	-114.5	-163.8	164.8	72.7	26.7	0	0	0	110.2	Q728 N729 Y731	D726-Q728 PolarHBondContact O-N 3.26Å; D726-Q728 WeakPolarHBondContact OD1-CA 3.16Å; D726-Q728 PolarHBondContact OD1-N 3.13Å; D726-N729 PolarHBondContact N-O 3.21Å; D726-N729 PolarHBondContact OD1-N 3.31Å; D726-N729 PolarHBondContact OD1-ND2 3.23Å; D726-N729 PolarHBondContact OD2-ND2 3.27Å; D726-Y731 HydrophobicContact CB-CE2 4.38Å; D726-Y731 PolarHBondContact OD2-OH 3.24Å; D726-Y731 VanDerWaalsContact OD2-OH 3.08Å
727	E	90.8	Very high	84.1	Confident	85 Å²	85	85.3 Å²	85.3	40%	0.397	42%	0.416	S	S	.	.	S	Bend	trans	-70.1	-14	-179.1	-161.3	170.5	158	0	0	114.2	K774 L775	E727-K774 WeakPolarHBondContact OE2-CB 3.21Å; E727-L775 HydrophobicContact CB-CB 4.28Å; E727-L775 HydrophobicContact CB-CD2 4.5Å; E727-L775 HydrophobicContact CG-CB 4.47Å
728	Q	91.8	Very high	84.4	Confident	132 Å²	132	83 Å²	83	62%	0.617	41%	0.41	S	S	*	.	S	Bend	trans	-130.5	-29	-170.6	-62.3	-177.8	-4	0	0	113.6	D726 L742	D726-Q728 PolarHBondContact O-N 3.26Å; D726-Q728 WeakPolarHBondContact OD1-CA 3.16Å; D726-Q728 PolarHBondContact OD1-N 3.13Å; Q728-L742 PolarHBondContact O-N 2.89Å
729	N	94.4	Very high	84.7	Confident	39 Å²	39	83.1 Å²	83.1	21%	0.209	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.5	-168.3	-49.3	-76.6	0	0	0	112.5	F725 D726 Y731 V739 A740	F725-N729 CarbonylContact C-O 3.55Å; F725-N729 VanDerWaalsContact CA-O 3.31Å; F725-N729 WeakPolarHBondContact CA-O 3.43Å; F725-N729 WeakPolarHBondContact CB-O 3.33Å; D726-N729 PolarHBondContact N-O 3.21Å; D726-N729 PolarHBondContact OD1-N 3.31Å; D726-N729 PolarHBondContact OD1-ND2 3.23Å; D726-N729 PolarHBondContact OD2-ND2 3.27Å; N729-Y731 HydrophobicContact CB-CE2 4.17Å; N729-V739 HydrophobicContact CB-CG1 3.98Å; N729-A740 CarbonylContact C-O 3.57Å; N729-A740 WeakPolarHBondContact CA-O 3.32Å
730	M	91.6	Very high	84.7	Confident	17 Å²	17	79.4 Å²	79.4	8%	0.084	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147	165	-172.1	172.9	39.5	0	0	109.7	D723 V733 V739 A740 L742 E746 R780	D723-M730 HydrophobicContact CB-CG 4.41Å; D723-M730 HydrophobicContact CB-SD 3.98Å; M730-V733 HydrophobicContact CB-CG2 3.95Å; M730-V733 HydrophobicContact CE-CG1 3.99Å; M730-V733 HydrophobicContact CE-CG2 3.92Å; M730-V733 HydrophobicContact CG-CG2 3.83Å; M730-V733 WeakPolarHBondContact O-CG2 3.48Å; M730-V733 HydrophobicContact SD-CG2 4.42Å; M730-V739 WeakPolarHBondContact O-CA 3.48Å; M730-A740 PolarHBondContact N-O 3.37Å; M730-A740 PolarHBondContact O-N 3.13Å; M730-L742 HydrophobicContact CB-CD2 4.02Å; M730-E746 WeakPolarHBondContact CE-OE1 3.32Å; M730-R780 PolarHBondContact SD-NH2 3.46Å
731	Y	90.5	Very high	84.8	Confident	75 Å²	75	81.9 Å²	81.9	29%	0.294	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153	-172.8	-64.9	-97	0	0	0	111.3	F724 D726 N729 V733 N738 V739	F724-Y731 AromaticContact CD1-CD2 3.47Å; F724-Y731 HydrophobicContact CD1-CD2 3.47Å; F724-Y731 VanDerWaalsContact CD1-CD2 3.47Å; F724-Y731 HydrophobicContact CD1-CE2 4.15Å; F724-Y731 AromaticContact CD1-CG 3.7Å; F724-Y731 HydrophobicContact CD1-CG 3.7Å; F724-Y731 AromaticContact CE1-CD2 3.85Å; F724-Y731 HydrophobicContact CE1-CD2 3.85Å; F724-Y731 HydrophobicContact CE1-CE2 4.04Å; F724-Y731 HydrophobicContact CE1-CG 4.26Å; F724-Y731 HydrophobicContact CG-CD2 4.45Å; F724-Y731 PolarHBondContact O-N 3.45Å; D726-Y731 HydrophobicContact CB-CE2 4.38Å; D726-Y731 PolarHBondContact OD2-OH 3.24Å; D726-Y731 VanDerWaalsContact OD2-OH 3.08Å; N729-Y731 HydrophobicContact CB-CE2 4.17Å; Y731-V733 PolarHBondContact O-N 3.03Å; Y731-N738 WeakPolarHBondContact CA-O 3.4Å; Y731-V739 HydrophobicContact CD1-CG1 4.38Å; Y731-V739 HydrophobicContact CD1-CG2 3.74Å; Y731-V739 HydrophobicContact CE1-CG1 4.22Å; Y731-V739 HydrophobicContact CE1-CG2 3.86Å
732	D	79.7	Confident	85	Confident	139 Å²	139	75.5 Å²	75.5	74%	0.743	38%	0.382	S	S	*	.	S	Bend	trans	55.4	35.2	-178.6	-152.6	23.3	0	0	0	113.8	S734 N738	D732-S734 PolarHBondContact O-N 2.98Å; D732-N738 PolarHBondContact N-O 2.81Å
733	V	71.5	Confident	85	Confident	62 Å²	62	72.8 Å²	72.8	38%	0.376	38%	0.379	S	S	.	.			trans	-66.4	-35.4	-171.3	-172.9	0	0	0	0	112.3	M730 Y731 W737 A740	M730-V733 HydrophobicContact CB-CG2 3.95Å; M730-V733 HydrophobicContact CE-CG1 3.99Å; M730-V733 HydrophobicContact CE-CG2 3.92Å; M730-V733 HydrophobicContact CG-CG2 3.83Å; M730-V733 WeakPolarHBondContact O-CG2 3.48Å; M730-V733 HydrophobicContact SD-CG2 4.42Å; Y731-V733 PolarHBondContact O-N 3.03Å; V733-W737 PolarHBondContact N-O 3.15Å; V733-A740 HydrophobicContact CG2-CB 4.07Å
734	S	68.6	Low	84.9	Confident	38 Å²	38	75.1 Å²	75.1	27%	0.266	40%	0.397	S	S	.	.			trans	-162.2	168.6	174.5	80.9	0	0	0	0	113.6	D732 Q736 W737	D732-S734 PolarHBondContact O-N 2.98Å; S734-Q736 PolarHBondContact O-N 3Å; S734-Q736 PolarHBondContact OG-N 3.21Å; S734-Q736 VanDerWaalsContact OG-N 3.08Å; S734-W737 PolarHBondContact N-O 3.18Å; S734-W737 CarbonylContact O-C 3.52Å; S734-W737 PolarHBondContact O-N 2.83Å; S734-W737 VanDerWaalsContact O-N 3.1Å; S734-W737 PolarHBondContact OG-N 3.11Å
735	N	64.7	Low	84.7	Confident	159 Å²	159	75.5 Å²	75.5	85%	0.85	41%	0.413	S	S	*	.	S	Bend	trans	-62.1	0.4	170	-62.3	-73.5	0	0	0	114.7	K1076	N735-K1076 PolarHBondContact O-NZ 3.18Å
736	Q	62.9	Low	84.5	Confident	93 Å²	93	77.3 Å²	77.3	44%	0.435	42%	0.422	S	S	.	.	S	Bend	trans	-108.7	-36.9	171.4	-71.9	152.6	-49.6	0	0	111.9	S734 E1071	S734-Q736 PolarHBondContact O-N 3Å; S734-Q736 PolarHBondContact OG-N 3.21Å; S734-Q736 VanDerWaalsContact OG-N 3.08Å; Q736-E1071 PolarHBondContact NE2-OE1 3.23Å
737	W	71.1	Confident	84.6	Confident	157 Å²	157	81.1 Å²	81.1	60%	0.595	43%	0.433	S	S	*	.			trans	-127	112.1	-175.7	-72.7	-85.5	0	0	0	113.4	V733 S734 V739	V733-W737 PolarHBondContact N-O 3.15Å; S734-W737 PolarHBondContact N-O 3.18Å; S734-W737 CarbonylContact O-C 3.52Å; S734-W737 PolarHBondContact O-N 2.83Å; S734-W737 VanDerWaalsContact O-N 3.1Å; S734-W737 PolarHBondContact OG-N 3.11Å; W737-V739 VanDerWaalsContact C-N 3.26Å; W737-V739 PolarHBondContact O-N 3.47Å
738	N	84.1	Confident	84.7	Confident	128 Å²	128	81 Å²	81	68%	0.684	44%	0.442	S	S	*	.	S	Bend	trans	-69	-23.6	173.3	-59.2	2	0	0	0	113	Y731 D732	Y731-N738 WeakPolarHBondContact CA-O 3.4Å; D732-N738 PolarHBondContact N-O 2.81Å
739	V	89	Confident	84.8	Confident	67 Å²	67	76 Å²	76	41%	0.406	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	138	179.6	-171.6	0	0	0	0	108	N729 M730 Y731 W737	N729-V739 HydrophobicContact CB-CG1 3.98Å; M730-V739 WeakPolarHBondContact O-CA 3.48Å; Y731-V739 HydrophobicContact CD1-CG1 4.38Å; Y731-V739 HydrophobicContact CD1-CG2 3.74Å; Y731-V739 HydrophobicContact CE1-CG1 4.22Å; Y731-V739 HydrophobicContact CE1-CG2 3.86Å; W737-V739 VanDerWaalsContact C-N 3.26Å; W737-V739 PolarHBondContact O-N 3.47Å
740	A	87.2	Confident	84.7	Confident	25 Å²	25	74.3 Å²	74.3	21%	0.207	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.2	167.8	0	0	0	0	0	110.5	N729 M730 V733	N729-A740 CarbonylContact C-O 3.57Å; N729-A740 WeakPolarHBondContact CA-O 3.32Å; M730-A740 PolarHBondContact N-O 3.37Å; M730-A740 PolarHBondContact O-N 3.13Å; V733-A740 HydrophobicContact CG2-CB 4.07Å
741	P	91.6	Very high	84.9	Confident	99 Å²	99	77.2 Å²	77.2	64%	0.643	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	143.4	172.8	29.2	-34.8	0	0	0	110.5	S743	P741-S743 PolarHBondContact O-N 3.44Å
742	L	90.4	Very high	85	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.016	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-61.1	129.7	177.2	-69.9	169.7	0	0	0	110.8	Q728 M730 E746 R747 I750	Q728-L742 PolarHBondContact O-N 2.89Å; M730-L742 HydrophobicContact CB-CD2 4.02Å; L742-E746 HydrophobicContact CD2-CB 4.12Å; L742-R747 HydrophobicContact CB-CB 4.33Å; L742-R747 PolarHBondContact O-NH2 3.47Å; L742-I750 HydrophobicContact CD1-CD1 3.59Å; L742-I750 HydrophobicContact CD2-CD1 3.61Å; L742-I750 HydrophobicContact CG-CD1 4.25Å
743	S	90.2	Very high	85.7	Confident	46 Å²	46	71.4 Å²	71.4	32%	0.322	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-64	159.8	172.1	68.7	0	0	0	0	111.5	P741 A745 E746 R747	P741-S743 PolarHBondContact O-N 3.44Å; S743-A745 VanDerWaalsContact C-N 3.25Å; S743-A745 PolarHBondContact O-N 3.38Å; S743-E746 VanDerWaalsContact CB-OE2 3.32Å; S743-E746 WeakPolarHBondContact CB-OE2 3.44Å; S743-E746 PolarHBondContact N-OE2 3.35Å; S743-E746 PolarHBondContact O-N 3Å; S743-E746 VanDerWaalsContact O-N 3.16Å; S743-E746 VanDerWaalsContact OG-CG 3.25Å; S743-E746 WeakPolarHBondContact OG-CG 3.39Å; S743-E746 PolarHBondContact OG-N 2.92Å; S743-E746 PolarHBondContact OG-OE2 2.87Å; S743-R747 WeakPolarHBondContact O-CB 3.14Å; S743-R747 PolarHBondContact O-N 2.78Å
744	P	90.3	Very high	86.8	Confident	109 Å²	109	69.2 Å²	69.2	71%	0.708	39%	0.392	S	S	*	.	H	α-helix	trans	-56.2	-38.1	-179.5	-26.9	35.7	0	0	0	113.5	S748	P744-S748 WeakPolarHBondContact O-CB 3.27Å; P744-S748 PolarHBondContact O-N 3.37Å
745	A	90	Very high	88.1	Confident	76 Å²	76	69 Å²	69	63%	0.628	39%	0.393	S	S	*	.	H	α-helix	trans	-66.4	-43.9	177.5	0	0	0	0	0	112.4	S743 S748 D749	S743-A745 VanDerWaalsContact C-N 3.25Å; S743-A745 PolarHBondContact O-N 3.38Å; A745-S748 WeakPolarHBondContact O-CB 3.19Å; A745-S748 PolarHBondContact O-N 2.88Å; A745-D749 PolarHBondContact O-N 3.38Å
746	E	91.9	Very high	89.5	Confident	41 Å²	41	68.1 Å²	68.1	19%	0.192	38%	0.379	C	S	.	.	H	α-helix	trans	-70.3	-38.9	178.9	-65.8	170.6	110.6	0	0	112.1	M730 L742 S743 S748 D749 I750 R780	M730-E746 WeakPolarHBondContact CE-OE1 3.32Å; L742-E746 HydrophobicContact CD2-CB 4.12Å; S743-E746 VanDerWaalsContact CB-OE2 3.32Å; S743-E746 WeakPolarHBondContact CB-OE2 3.44Å; S743-E746 PolarHBondContact N-OE2 3.35Å; S743-E746 PolarHBondContact O-N 3Å; S743-E746 VanDerWaalsContact O-N 3.16Å; S743-E746 VanDerWaalsContact OG-CG 3.25Å; S743-E746 WeakPolarHBondContact OG-CG 3.39Å; S743-E746 PolarHBondContact OG-N 2.92Å; S743-E746 PolarHBondContact OG-OE2 2.87Å; E746-S748 VanDerWaalsContact C-N 3.28Å; E746-S748 PolarHBondContact O-N 2.94Å; E746-D749 PolarHBondContact O-N 2.9Å; E746-I750 WeakPolarHBondContact O-CB 3.49Å; E746-I750 WeakPolarHBondContact O-CD1 3.42Å; E746-I750 VanDerWaalsContact O-CG1 3.32Å; E746-I750 WeakPolarHBondContact O-CG1 3.44Å; E746-I750 PolarHBondContact O-N 3.37Å; E746-R780 IonicContact OE1-CZ 3.65Å; E746-R780 VanDerWaalsContact OE1-CZ 3.27Å; E746-R780 IonicContact OE1-NH1 3.42Å; E746-R780 PolarHBondContact OE1-NH1 2.97Å; E746-R780 IonicContact OE1-NH2 2.71Å; E746-R780 PolarHBondContact OE1-NH2 3.08Å
747	R	93.7	Very high	91	Very high	114 Å²	114	63.7 Å²	63.7	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-38.3	173.7	-163.2	-179.9	-55.2	162.2	8.8	111.3	L742 S743 N751	L742-R747 HydrophobicContact CB-CB 4.33Å; L742-R747 PolarHBondContact O-NH2 3.47Å; S743-R747 WeakPolarHBondContact O-CB 3.14Å; S743-R747 PolarHBondContact O-N 2.78Å; R747-N751 WeakPolarHBondContact O-CB 3.44Å; R747-N751 PolarHBondContact O-N 3.09Å; R747-N751 PolarHBondContact O-ND2 2.93Å
748	S	94.1	Very high	92.1	Very high	82 Å²	82	56.9 Å²	56.9	57%	0.573	33%	0.334	S	S	*	.	H	α-helix	trans	-65.7	-43.7	173.9	-170.8	0	0	0	0	112.4	P744 A745 E746 S752	P744-S748 WeakPolarHBondContact O-CB 3.27Å; P744-S748 PolarHBondContact O-N 3.37Å; A745-S748 WeakPolarHBondContact O-CB 3.19Å; A745-S748 PolarHBondContact O-N 2.88Å; E746-S748 VanDerWaalsContact C-N 3.28Å; E746-S748 PolarHBondContact O-N 2.94Å; S748-S752 VanDerWaalsContact O-CB 3.3Å; S748-S752 WeakPolarHBondContact O-CB 3.43Å; S748-S752 PolarHBondContact O-N 3.47Å
749	D	92.4	Very high	92.6	Very high	28 Å²	28	58.7 Å²	58.7	15%	0.15	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-51.6	173.9	-175.8	57.6	0	0	0	111.7	A745 E746 N751 S752 I753 Y790 R812	A745-D749 PolarHBondContact O-N 3.38Å; E746-D749 PolarHBondContact O-N 2.9Å; D749-N751 PolarHBondContact O-N 3.22Å; D749-S752 WeakPolarHBondContact O-CB 3.34Å; D749-S752 PolarHBondContact O-N 3.45Å; D749-I753 WeakPolarHBondContact O-CB 3.48Å; D749-I753 WeakPolarHBondContact O-CD1 3.33Å; D749-I753 VanDerWaalsContact O-CG1 3.25Å; D749-I753 WeakPolarHBondContact O-CG1 3.48Å; D749-I753 PolarHBondContact O-N 3.28Å; D749-I753 WeakPolarHBondContact OD1-CD1 3.41Å; D749-I753 WeakPolarHBondContact OD2-CD1 3.36Å; D749-Y790 PolarHBondContact OD2-OH 3.29Å; D749-R812 IonicContact OD1-CZ 3.13Å; D749-R812 IonicContact OD1-NH1 4Å; D749-R812 PolarHBondContact OD1-NH1 3.39Å
750	I	93.7	Very high	92.8	Very high	3 Å²	3	60 Å²	60	2%	0.015	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-44.3	179.6	-71.1	162.7	0	0	0	111.1	F725 L742 E746 S752 I753 T754 L775	F725-I750 HydrophobicContact CD2-CD1 3.52Å; F725-I750 HydrophobicContact CD2-CG1 4.01Å; F725-I750 HydrophobicContact CD2-CG2 4.31Å; F725-I750 HydrophobicContact CE2-CB 4.4Å; F725-I750 HydrophobicContact CE2-CD1 3.75Å; F725-I750 HydrophobicContact CE2-CG1 3.67Å; F725-I750 HydrophobicContact CE2-CG2 3.86Å; F725-I750 HydrophobicContact CG-CD1 4.08Å; F725-I750 HydrophobicContact CZ-CD1 4.48Å; F725-I750 HydrophobicContact CZ-CG1 4.2Å; L742-I750 HydrophobicContact CD1-CD1 3.59Å; L742-I750 HydrophobicContact CD2-CD1 3.61Å; L742-I750 HydrophobicContact CG-CD1 4.25Å; E746-I750 WeakPolarHBondContact O-CB 3.49Å; E746-I750 WeakPolarHBondContact O-CD1 3.42Å; E746-I750 VanDerWaalsContact O-CG1 3.32Å; E746-I750 WeakPolarHBondContact O-CG1 3.44Å; E746-I750 PolarHBondContact O-N 3.37Å; I750-S752 PolarHBondContact O-N 3.08Å; I750-I753 PolarHBondContact O-N 3.49Å; I750-T754 HydrophobicContact CG2-CG2 4.39Å; I750-T754 WeakPolarHBondContact O-CG2 3.27Å; I750-T754 PolarHBondContact O-N 2.8Å; I750-T754 PolarHBondContact O-OG1 2.94Å; I750-T754 VanDerWaalsContact O-OG1 3.13Å; I750-L775 HydrophobicContact CG2-CD2 3.89Å
751	N	94.6	Very high	93	Very high	78 Å²	78	59.2 Å²	59.2	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-36.3	176.7	-74	-9.5	0	0	0	112.8	R747 D749 I753 T754 A755	R747-N751 WeakPolarHBondContact O-CB 3.44Å; R747-N751 PolarHBondContact O-N 3.09Å; R747-N751 PolarHBondContact O-ND2 2.93Å; D749-N751 PolarHBondContact O-N 3.22Å; N751-I753 VanDerWaalsContact C-N 3.35Å; N751-T754 PolarHBondContact O-OG1 3.28Å; N751-A755 WeakPolarHBondContact O-CB 3.42Å; N751-A755 PolarHBondContact O-N 3.15Å; N751-A755 VanDerWaalsContact O-N 3.08Å
752	S	94.2	Very high	92.9	Very high	73 Å²	73	59.6 Å²	59.6	51%	0.51	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-42.1	173.9	-171.7	0	0	0	0	111.4	S748 D749 I750 Y756	S748-S752 VanDerWaalsContact O-CB 3.3Å; S748-S752 WeakPolarHBondContact O-CB 3.43Å; S748-S752 PolarHBondContact O-N 3.47Å; D749-S752 WeakPolarHBondContact O-CB 3.34Å; D749-S752 PolarHBondContact O-N 3.45Å; I750-S752 PolarHBondContact O-N 3.08Å; S752-Y756 WeakPolarHBondContact O-CB 3.32Å; S752-Y756 PolarHBondContact O-N 2.81Å
753	I	94.3	Very high	92.9	Very high	19 Å²	19	63.3 Å²	63.3	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-72.4	-44.9	-178.1	-69.2	164.2	0	0	0	111.7	D749 I750 N751 Y756 A757 Y790 V792 L810	D749-I753 WeakPolarHBondContact O-CB 3.48Å; D749-I753 WeakPolarHBondContact O-CD1 3.33Å; D749-I753 VanDerWaalsContact O-CG1 3.25Å; D749-I753 WeakPolarHBondContact O-CG1 3.48Å; D749-I753 PolarHBondContact O-N 3.28Å; D749-I753 WeakPolarHBondContact OD1-CD1 3.41Å; D749-I753 WeakPolarHBondContact OD2-CD1 3.36Å; I750-I753 PolarHBondContact O-N 3.49Å; N751-I753 VanDerWaalsContact C-N 3.35Å; I753-Y756 PolarHBondContact O-N 2.86Å; I753-A757 VanDerWaalsContact O-CB 3.25Å; I753-A757 WeakPolarHBondContact O-CB 3.48Å; I753-A757 PolarHBondContact O-N 3.33Å; I753-Y790 HydrophobicContact CD1-CD1 3.86Å; I753-Y790 HydrophobicContact CD1-CD2 3.97Å; I753-Y790 HydrophobicContact CD1-CE1 3.35Å; I753-Y790 HydrophobicContact CD1-CE2 3.47Å; I753-Y790 VanDerWaalsContact CD1-CE2 3.47Å; I753-Y790 HydrophobicContact CD1-CG 4.16Å; I753-Y790 WeakPolarHBondContact CD1-OH 3.37Å; I753-Y790 HydrophobicContact CG2-CG 4.44Å; I753-V792 HydrophobicContact CG2-CG2 4.43Å; I753-L810 HydrophobicContact CG2-CD1 3.62Å
754	T	94.3	Very high	92.8	Very high	16 Å²	16	64.4 Å²	64.4	10%	0.098	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-42.7	175.1	55.5	0	0	0	0	110.9	I750 N751 Y756 A757 V758 L775 V792 L794	I750-T754 HydrophobicContact CG2-CG2 4.39Å; I750-T754 WeakPolarHBondContact O-CG2 3.27Å; I750-T754 PolarHBondContact O-N 2.8Å; I750-T754 PolarHBondContact O-OG1 2.94Å; I750-T754 VanDerWaalsContact O-OG1 3.13Å; N751-T754 PolarHBondContact O-OG1 3.28Å; T754-Y756 PolarHBondContact O-N 3.27Å; T754-A757 PolarHBondContact O-N 3.46Å; T754-V758 WeakPolarHBondContact O-CG2 3.36Å; T754-V758 PolarHBondContact O-N 3.11Å; T754-L775 HydrophobicContact CG2-CB 4.41Å; T754-L775 HydrophobicContact CG2-CD1 4.32Å; T754-L775 HydrophobicContact CG2-CD2 4.21Å; T754-V792 HydrophobicContact CG2-CG1 4.45Å; T754-L794 HydrophobicContact CG2-CD2 4.19Å
755	A	94.4	Very high	92.6	Very high	34 Å²	34	68.2 Å²	68.2	28%	0.281	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-38.1	175.4	0	0	0	0	0	113	N751 R759	N751-A755 WeakPolarHBondContact O-CB 3.42Å; N751-A755 PolarHBondContact O-N 3.15Å; N751-A755 VanDerWaalsContact O-N 3.08Å; A755-R759 WeakPolarHBondContact O-CB 3.46Å; A755-R759 WeakPolarHBondContact O-CD 3.38Å; A755-R759 WeakPolarHBondContact O-CG 3.41Å; A755-R759 PolarHBondContact O-N 3.29Å
756	Y	95.5	Very high	92.3	Very high	139 Å²	139	69.4 Å²	69.4	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-64.1	-45.9	171.9	178.8	-93.8	0	0	0	111.6	S752 I753 T754 R759 W760 L810	S752-Y756 WeakPolarHBondContact O-CB 3.32Å; S752-Y756 PolarHBondContact O-N 2.81Å; I753-Y756 PolarHBondContact O-N 2.86Å; T754-Y756 PolarHBondContact O-N 3.27Å; Y756-R759 PolarHBondContact O-N 3.1Å; Y756-W760 WeakPolarHBondContact O-CB 3.43Å; Y756-W760 PolarHBondContact O-N 3.15Å; Y756-L810 HydrophobicContact CD1-CD2 4.37Å; Y756-L810 HydrophobicContact CE1-CD2 4.36Å
757	A	94.2	Very high	91.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-41.2	-177.1	0	0	0	0	0	113.1	I753 T754 W760 L761 L794 I808 L810	I753-A757 VanDerWaalsContact O-CB 3.25Å; I753-A757 WeakPolarHBondContact O-CB 3.48Å; I753-A757 PolarHBondContact O-N 3.33Å; T754-A757 PolarHBondContact O-N 3.46Å; A757-W760 PolarHBondContact O-N 2.96Å; A757-L761 PolarHBondContact O-N 3.38Å; A757-L794 HydrophobicContact CB-CD1 4.14Å; A757-I808 HydrophobicContact CB-CD1 3.72Å; A757-L810 HydrophobicContact CB-CD1 3.75Å
758	V	94	Very high	91.3	Very high	15 Å²	15	68.8 Å²	68.8	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-47.5	173.4	172.1	0	0	0	0	110.8	T754 W760 L761 Q762 F772 L794 F796	T754-V758 WeakPolarHBondContact O-CG2 3.36Å; T754-V758 PolarHBondContact O-N 3.11Å; V758-W760 VanDerWaalsContact C-N 3.3Å; V758-W760 PolarHBondContact O-N 3.11Å; V758-L761 PolarHBondContact O-N 3.18Å; V758-Q762 HydrophobicContact CG1-CG 4.47Å; V758-Q762 WeakPolarHBondContact O-CG 3.41Å; V758-Q762 PolarHBondContact O-N 2.93Å; V758-F772 HydrophobicContact CG1-CB 4.14Å; V758-F772 HydrophobicContact CG1-CG 4.41Å; V758-F772 HydrophobicContact CG2-CB 4.2Å; V758-F772 HydrophobicContact CG2-CD1 3.92Å; V758-F772 HydrophobicContact CG2-CD2 3.68Å; V758-F772 HydrophobicContact CG2-CE1 4.2Å; V758-F772 HydrophobicContact CG2-CE2 3.98Å; V758-F772 HydrophobicContact CG2-CG 3.64Å; V758-F772 HydrophobicContact CG2-CZ 4.22Å; V758-L794 HydrophobicContact CG2-CD1 3.79Å; V758-F796 HydrophobicContact CG2-CZ 4.45Å
759	R	93.9	Very high	90.8	Very high	166 Å²	166	67.9 Å²	67.9	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-58.9	-40.6	177	-72.2	169.1	-173.9	135.7	-0.8	112.1	A755 Y756 Q762 S763	A755-R759 WeakPolarHBondContact O-CB 3.46Å; A755-R759 WeakPolarHBondContact O-CD 3.38Å; A755-R759 WeakPolarHBondContact O-CG 3.41Å; A755-R759 PolarHBondContact O-N 3.29Å; Y756-R759 PolarHBondContact O-N 3.1Å; R759-Q762 PolarHBondContact O-N 3.32Å; R759-S763 PolarHBondContact O-N 2.83Å; R759-S763 PolarHBondContact O-OG 3.07Å
760	W	92.9	Very high	90.7	Very high	95 Å²	95	67.8 Å²	67.8	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-35.6	178	-176.1	93.7	0	0	0	113.2	Y756 A757 V758 S763 N764 K766	Y756-W760 WeakPolarHBondContact O-CB 3.43Å; Y756-W760 PolarHBondContact O-N 3.15Å; A757-W760 PolarHBondContact O-N 2.96Å; V758-W760 VanDerWaalsContact C-N 3.3Å; V758-W760 PolarHBondContact O-N 3.11Å; W760-S763 PolarHBondContact O-OG 3.49Å; W760-N764 VanDerWaalsContact CD2-ND2 3.35Å; W760-N764 WeakPolarHBondContact CZ2-ND2 3.46Å; W760-N764 PolarHBondContact NE1-ND2 2.82Å; W760-N764 VanDerWaalsContact O-CB 3.29Å; W760-N764 WeakPolarHBondContact O-CB 3.5Å; W760-N764 PolarHBondContact O-N 3.11Å; W760-N764 PolarHBondContact O-ND2 3.31Å; W760-N764 VanDerWaalsContact O-ND2 3.15Å; W760-K766 HydrophobicContact CZ3-CD 4.31Å
761	L	92.5	Very high	90.4	Very high	7 Å²	7	74.9 Å²	74.9	4%	0.037	37%	0.373	C	S	.	.	H	α-helix	trans	-67.9	-36	171.7	-77.4	-175.3	0	0	0	112.4	A757 V758 R765 K766 T767 F796 R806 I808	A757-L761 PolarHBondContact O-N 3.38Å; V758-L761 PolarHBondContact O-N 3.18Å; L761-R765 PolarHBondContact O-N 3.38Å; L761-K766 HydrophobicContact CD2-CB 3.76Å; L761-K766 HydrophobicContact CD2-CD 3.97Å; L761-K766 HydrophobicContact CD2-CG 4.47Å; L761-K766 PolarHBondContact O-N 3.38Å; L761-T767 HydrophobicContact CB-CG2 3.82Å; L761-T767 HydrophobicContact CD1-CG2 3.84Å; L761-T767 HydrophobicContact CG-CG2 4.38Å; L761-T767 PolarHBondContact O-OG1 3.32Å; L761-F796 HydrophobicContact CD1-CE2 3.79Å; L761-F796 HydrophobicContact CD1-CZ 3.68Å; L761-R806 HydrophobicContact CD1-CB 4.08Å; L761-R806 HydrophobicContact CD1-CG 4.46Å; L761-I808 HydrophobicContact CD1-CD1 3.57Å; L761-I808 HydrophobicContact CD1-CG1 4.17Å; L761-I808 HydrophobicContact CD2-CD1 4.4Å; L761-I808 HydrophobicContact CG-CD1 3.81Å; L761-I808 HydrophobicContact CG-CG1 4.42Å
762	Q	90.2	Very high	90.3	Very high	107 Å²	107	74.4 Å²	74.4	50%	0.5	37%	0.367	S	S	.	.	H	α-helix	trans	-70.6	-49.6	177.4	-72.2	170.9	-21.9	0	0	112.1	V758 R759 N764 R765	V758-Q762 HydrophobicContact CG1-CG 4.47Å; V758-Q762 WeakPolarHBondContact O-CG 3.41Å; V758-Q762 PolarHBondContact O-N 2.93Å; R759-Q762 PolarHBondContact O-N 3.32Å; Q762-N764 PolarHBondContact O-N 3Å; Q762-R765 PolarHBondContact O-N 2.78Å; Q762-R765 VanDerWaalsContact O-N 3.07Å
763	S	89.5	Confident	90.2	Very high	81 Å²	81	77.4 Å²	77.4	57%	0.566	37%	0.367	S	S	*	.	H	α-helix	trans	-57.9	-36.1	178.4	66.2	0	0	0	0	112.3	R759 W760 R765	R759-S763 PolarHBondContact O-N 2.83Å; R759-S763 PolarHBondContact O-OG 3.07Å; W760-S763 PolarHBondContact O-OG 3.49Å; S763-R765 VanDerWaalsContact C-N 3.29Å; S763-R765 PolarHBondContact O-N 3.13Å
764	N	88.4	Confident	90.1	Very high	70 Å²	70	80.3 Å²	80.3	37%	0.374	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	14.3	-177.1	-59	-13.7	0	0	0	112.9	W760 Q762 K766	W760-N764 VanDerWaalsContact CD2-ND2 3.35Å; W760-N764 WeakPolarHBondContact CZ2-ND2 3.46Å; W760-N764 PolarHBondContact NE1-ND2 2.82Å; W760-N764 VanDerWaalsContact O-CB 3.29Å; W760-N764 WeakPolarHBondContact O-CB 3.5Å; W760-N764 PolarHBondContact O-N 3.11Å; W760-N764 PolarHBondContact O-ND2 3.31Å; W760-N764 VanDerWaalsContact O-ND2 3.15Å; Q762-N764 PolarHBondContact O-N 3Å; N764-K766 HydrophobicContact CB-CD 4.44Å; N764-K766 HydrophobicContact CB-CG 4.42Å; N764-K766 PolarHBondContact O-N 2.76Å
765	R	85.1	Confident	90.1	Very high	189 Å²	189	79.7 Å²	79.7	71%	0.713	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	19.9	177.1	-60.1	-178.1	-176.9	-160.7	4	115.2	L761 Q762 S763 T767 E768	L761-R765 PolarHBondContact O-N 3.38Å; Q762-R765 PolarHBondContact O-N 2.78Å; Q762-R765 VanDerWaalsContact O-N 3.07Å; S763-R765 VanDerWaalsContact C-N 3.29Å; S763-R765 PolarHBondContact O-N 3.13Å; R765-T767 VanDerWaalsContact C-N 3.26Å; R765-T767 PolarHBondContact O-N 3.26Å; R765-E768 HydrophobicContact CB-CG 4.12Å; R765-E768 WeakPolarHBondContact CB-OE1 3.04Å; R765-E768 VanDerWaalsContact CD-OE1 3.22Å; R765-E768 WeakPolarHBondContact CD-OE1 3.49Å; R765-E768 VanDerWaalsContact CG-OE1 3.25Å; R765-E768 WeakPolarHBondContact CG-OE1 3.49Å; R765-E768 IonicContact NE-OE1 3.87Å
766	K	85.2	Confident	90	Very high	100 Å²	100	80.8 Å²	80.8	44%	0.435	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.6	-177.9	-71.1	178.6	-178.6	176.3	0	112.9	W760 L761 N764 R806	W760-K766 HydrophobicContact CZ3-CD 4.31Å; L761-K766 HydrophobicContact CD2-CB 3.76Å; L761-K766 HydrophobicContact CD2-CD 3.97Å; L761-K766 HydrophobicContact CD2-CG 4.47Å; L761-K766 PolarHBondContact O-N 3.38Å; N764-K766 HydrophobicContact CB-CD 4.44Å; N764-K766 HydrophobicContact CB-CG 4.42Å; N764-K766 PolarHBondContact O-N 2.76Å; K766-R806 VanDerWaalsContact O-CZ 3.24Å; K766-R806 PolarHBondContact O-NH1 2.9Å; K766-R806 PolarHBondContact O-NH2 3.47Å
767	T	82.3	Confident	90	Very high	9 Å²	9	75.2 Å²	75.2	6%	0.055	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130	32.6	-176.7	49.9	0	0	0	0	112.8	L761 R765 G769 L770 F796	L761-T767 HydrophobicContact CB-CG2 3.82Å; L761-T767 HydrophobicContact CD1-CG2 3.84Å; L761-T767 HydrophobicContact CG-CG2 4.38Å; L761-T767 PolarHBondContact O-OG1 3.32Å; R765-T767 VanDerWaalsContact C-N 3.26Å; R765-T767 PolarHBondContact O-N 3.26Å; T767-G769 PolarHBondContact O-N 3.3Å; T767-L770 HydrophobicContact CG2-CB 4.5Å; T767-L770 HydrophobicContact CG2-CD1 4.49Å; T767-L770 PolarHBondContact O-N 3.26Å; T767-L770 VanDerWaalsContact O-N 3.15Å; T767-F796 HydrophobicContact CG2-CD1 3.95Å; T767-F796 HydrophobicContact CG2-CE1 3.6Å; T767-F796 HydrophobicContact CG2-CE2 4.17Å; T767-F796 HydrophobicContact CG2-CG 4.42Å; T767-F796 HydrophobicContact CG2-CZ 3.74Å
768	E	81.4	Confident	90	Very high	133 Å²	133	75.2 Å²	75.2	62%	0.621	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	136.6	168.1	-66.9	-177.8	164.8	0	0	110.1	R765 L770	R765-E768 HydrophobicContact CB-CG 4.12Å; R765-E768 WeakPolarHBondContact CB-OE1 3.04Å; R765-E768 VanDerWaalsContact CD-OE1 3.22Å; R765-E768 WeakPolarHBondContact CD-OE1 3.49Å; R765-E768 VanDerWaalsContact CG-OE1 3.25Å; R765-E768 WeakPolarHBondContact CG-OE1 3.49Å; R765-E768 IonicContact NE-OE1 3.87Å; E768-L770 PolarHBondContact O-N 3.44Å
769	G	84.5	Confident	90.1	Very high	63 Å²	63	78.4 Å²	78.4	65%	0.649	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-4.4	-173.2	0	0	0	0	0	116.1	T767	T767-G769 PolarHBondContact O-N 3.3Å
770	L	88.5	Confident	90.1	Very high	27 Å²	27	71.9 Å²	71.9	14%	0.141	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.9	-171.9	-70.6	-178.3	0	0	0	112.4	T767 E768 F796 N797 D798	T767-L770 HydrophobicContact CG2-CB 4.5Å; T767-L770 HydrophobicContact CG2-CD1 4.49Å; T767-L770 PolarHBondContact O-N 3.26Å; T767-L770 VanDerWaalsContact O-N 3.15Å; E768-L770 PolarHBondContact O-N 3.44Å; L770-F796 HydrophobicContact CB-CB 4.03Å; L770-F796 HydrophobicContact CB-CD1 4.1Å; L770-F796 HydrophobicContact CB-CG 4.37Å; L770-F796 HydrophobicContact CD1-CB 4.39Å; L770-F796 HydrophobicContact CD2-CB 4.45Å; L770-N797 WeakPolarHBondContact CA-O 3.5Å; L770-D798 HydrophobicContact CD2-CB 3.92Å
771	Q	89.1	Confident	90	Very high	152 Å²	152	69.4 Å²	69.4	71%	0.71	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.9	173.3	-174.8	174.8	0.3	0	0	110.5	R773 F796 N797	Q771-R773 PolarHBondContact O-N 3.2Å; Q771-F796 CarbonylContact O-C 3.54Å; Q771-F796 VanDerWaalsContact O-CA 3.24Å; Q771-F796 WeakPolarHBondContact O-CA 3.46Å; Q771-N797 PolarHBondContact N-O 3.43Å; Q771-N797 PolarHBondContact O-N 3.12Å
772	F	92.2	Very high	90	Very high	67 Å²	67	74 Å²	74	29%	0.294	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.4	173.4	175.9	-115.7	0	0	0	110.7	V758 K774 L794 F796	V758-F772 HydrophobicContact CG1-CB 4.14Å; V758-F772 HydrophobicContact CG1-CG 4.41Å; V758-F772 HydrophobicContact CG2-CB 4.2Å; V758-F772 HydrophobicContact CG2-CD1 3.92Å; V758-F772 HydrophobicContact CG2-CD2 3.68Å; V758-F772 HydrophobicContact CG2-CE1 4.2Å; V758-F772 HydrophobicContact CG2-CE2 3.98Å; V758-F772 HydrophobicContact CG2-CG 3.64Å; V758-F772 HydrophobicContact CG2-CZ 4.22Å; F772-K774 VanDerWaalsContact CE2-C 3.44Å; F772-K774 WeakPolarHBondContact CE2-O 3.4Å; F772-L794 HydrophobicContact CD2-CB 4.37Å; F772-L794 HydrophobicContact CE2-CB 3.98Å; F772-L794 HydrophobicContact CE2-CD1 4.26Å; F772-L794 HydrophobicContact CE2-CD2 3.86Å; F772-L794 HydrophobicContact CE2-CG 4.25Å; F772-L794 HydrophobicContact CZ-CD2 4.32Å; F772-F796 VanDerWaalsContact CA-CD1 3.49Å; F772-F796 HydrophobicContact CB-CD1 4.01Å; F772-F796 HydrophobicContact CB-CE1 3.7Å; F772-F796 HydrophobicContact CB-CZ 4.37Å; F772-F796 HydrophobicContact CD2-CE1 4.15Å; F772-F796 HydrophobicContact CD2-CE2 4.35Å; F772-F796 HydrophobicContact CD2-CZ 4.02Å; F772-F796 HydrophobicContact CG-CE1 4.4Å
773	R	91.3	Very high	90.1	Very high	137 Å²	137	68.9 Å²	68.9	52%	0.517	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-57.2	179.3	-178.4	171.5	176.4	-143.1	14	112.3	Q771 E795 N797	Q771-R773 PolarHBondContact O-N 3.2Å; R773-E795 HydrophobicContact CB-CG 4.43Å; R773-E795 VanDerWaalsContact CD-OE1 3.28Å; R773-E795 WeakPolarHBondContact CD-OE1 2.97Å; R773-E795 IonicContact CZ-OE1 3.42Å; R773-E795 PolarHBondContact N-O 3.03Å; R773-E795 IonicContact NE-OE1 3.26Å; R773-E795 IonicContact NH1-OE1 3.13Å; R773-E795 PolarHBondContact NH1-OE1 2.91Å; R773-E795 IonicContact NH1-OE2 2.73Å; R773-N797 WeakPolarHBondContact CD-OD1 3.4Å
774	K	92.9	Very high	90	Very high	79 Å²	79	68 Å²	68	34%	0.343	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	171.3	-177.5	66.2	166.1	-169.2	140.4	0	113.7	E727 F772 E795	E727-K774 WeakPolarHBondContact OE2-CB 3.21Å; F772-K774 VanDerWaalsContact CE2-C 3.44Å; F772-K774 WeakPolarHBondContact CE2-O 3.4Å; K774-E795 HydrophobicContact CG-CB 4.33Å; K774-E795 PolarHBondContact O-N 3.26Å
775	L	93.7	Very high	89.9	Confident	4 Å²	4	68 Å²	68	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	134.5	161.9	178.1	61	0	0	0	109.4	F725 E727 I750 T754 S777 V792 L794	F725-L775 HydrophobicContact CD2-CD2 4.17Å; F725-L775 HydrophobicContact CE2-CD2 3.92Å; E727-L775 HydrophobicContact CB-CB 4.28Å; E727-L775 HydrophobicContact CB-CD2 4.5Å; E727-L775 HydrophobicContact CG-CB 4.47Å; I750-L775 HydrophobicContact CG2-CD2 3.89Å; T754-L775 HydrophobicContact CG2-CB 4.41Å; T754-L775 HydrophobicContact CG2-CD1 4.32Å; T754-L775 HydrophobicContact CG2-CD2 4.21Å; L775-S777 WeakPolarHBondContact CD1-O 3.45Å; L775-V792 HydrophobicContact CD1-CG1 3.47Å; L775-V792 VanDerWaalsContact CD1-CG1 3.47Å; L775-L794 HydrophobicContact CD1-CD2 3.99Å
776	L	93.1	Very high	90.1	Very high	56 Å²	56	60.1 Å²	60.1	29%	0.293	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-51.4	169.5	-73.7	168.8	0	0	0	111.1	D793 E795 T805	L776-D793 HydrophobicContact CB-CB 4.31Å; L776-D793 PolarHBondContact N-O 3.01Å; L776-E795 HydrophobicContact CD1-CB 3.87Å; L776-E795 HydrophobicContact CD1-CG 4.45Å; L776-E795 HydrophobicContact CD2-CB 4.32Å; L776-E795 HydrophobicContact CG-CB 3.86Å; L776-T805 HydrophobicContact CD1-CG2 3.5Å
777	S	94.3	Very high	90.3	Very high	22 Å²	22	55.4 Å²	55.4	15%	0.154	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	150.3	-174.9	41.1	0	0	0	0	110.5	L775 D793	L775-S777 WeakPolarHBondContact CD1-O 3.45Å; S777-D793 PolarHBondContact O-N 3.46Å; S777-D793 PolarHBondContact OG-OD2 3.26Å
778	G	95.5	Very high	90.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154	170.8	0	0	0	0	0	111.8	F724 F725 T791	F724-G778 WeakPolarHBondContact CD2-O 3.45Å; F725-G778 WeakPolarHBondContact CD1-O 3.46Å; F725-G778 PolarHBondContact N-O 2.67Å; F725-G778 PolarHBondContact O-N 3.07Å; G778-T791 CarbonylContact C-O 3.54Å; G778-T791 WeakPolarHBondContact CA-O 3.42Å
779	Y	95.7	Very high	91.4	Very high	83 Å²	83	51.3 Å²	51.3	33%	0.325	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.1	167.2	-58.7	-93	0	0	0	107.3	W722 D723 F724 Y790 T791	W722-Y779 HydrophobicContact CB-CD1 4.43Å; D723-Y779 CarbonylContact O-C 3.59Å; D723-Y779 VanDerWaalsContact O-CA 3.32Å; D723-Y779 WeakPolarHBondContact O-CA 3.48Å; F724-Y779 HydrophobicContact CB-CD1 4.36Å; F724-Y779 HydrophobicContact CB-CE1 4.32Å; F724-Y779 AromaticContact CD2-CD1 3.81Å; F724-Y779 HydrophobicContact CD2-CD1 3.81Å; F724-Y779 AromaticContact CD2-CE1 3.37Å; F724-Y779 HydrophobicContact CD2-CE1 3.37Å; F724-Y779 HydrophobicContact CD2-CE2 4.15Å; F724-Y779 HydrophobicContact CD2-CG 4.37Å; F724-Y779 AromaticContact CD2-CZ 3.55Å; F724-Y779 HydrophobicContact CE2-CE1 4.02Å; F724-Y779 HydrophobicContact CE2-CE2 4.17Å; F724-Y779 AromaticContact CE2-CZ 3.7Å; F724-Y779 HydrophobicContact CG-CE1 4.2Å; Y779-Y790 CarbonylContact O-C 3.52Å; Y779-Y790 VanDerWaalsContact O-CA 3.28Å; Y779-Y790 WeakPolarHBondContact O-CA 3.42Å; Y779-T791 PolarHBondContact N-O 3Å; Y779-T791 PolarHBondContact O-N 3.39Å
780	R	93.8	Very high	91.9	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.109	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.9	174.2	66.2	174.4	-159	-157	0.8	111.7	W722 D723 F725 M730 E746 M788 E789 Y790	W722-R780 CarbonylContact C-O 3.56Å; W722-R780 WeakPolarHBondContact CA-O 3.42Å; D723-R780 HydrophobicContact CB-CG 3.78Å; D723-R780 PolarHBondContact N-O 3.39Å; D723-R780 PolarHBondContact O-N 3.1Å; D723-R780 IonicContact OD2-CZ 3.64Å; D723-R780 IonicContact OD2-NE 2.8Å; D723-R780 PolarHBondContact OD2-NE 3.3Å; D723-R780 IonicContact OD2-NH2 3.16Å; D723-R780 PolarHBondContact OD2-NH2 3.17Å; F725-R780 HydrophobicContact CD1-CB 4.38Å; F725-R780 HydrophobicContact CD1-CG 4.11Å; F725-R780 HydrophobicContact CE1-CB 3.79Å; F725-R780 HydrophobicContact CE1-CG 4.02Å; M730-R780 PolarHBondContact SD-NH2 3.46Å; E746-R780 IonicContact OE1-CZ 3.65Å; E746-R780 VanDerWaalsContact OE1-CZ 3.27Å; E746-R780 IonicContact OE1-NH1 3.42Å; E746-R780 PolarHBondContact OE1-NH1 2.97Å; E746-R780 IonicContact OE1-NH2 2.71Å; E746-R780 PolarHBondContact OE1-NH2 3.08Å; R780-M788 HydrophobicContact CB-CE 4.07Å; R780-M788 HydrophobicContact CG-CE 4.32Å; R780-E789 CarbonylContact C-O 3.58Å; R780-E789 VanDerWaalsContact CA-O 3.28Å; R780-E789 WeakPolarHBondContact CA-O 3.22Å; R780-Y790 HydrophobicContact CB-CD1 3.53Å; R780-Y790 HydrophobicContact CB-CE1 3.67Å; R780-Y790 HydrophobicContact CB-CG 4.37Å
781	R	91.9	Very high	92.3	Very high	42 Å²	42	48 Å²	48	16%	0.158	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	140.2	178.3	-178.7	168.3	78.1	134.1	12	111.3	L720 L721 W722 E789	L720-R781 HydrophobicContact CB-CG 4.08Å; L720-R781 WeakPolarHBondContact O-CD 3.22Å; L720-R781 PolarHBondContact O-NH1 3.42Å; L721-R781 VanDerWaalsContact O-CD 3.27Å; L721-R781 WeakPolarHBondContact O-CD 3.38Å; L721-R781 WeakPolarHBondContact O-CG 3.25Å; W722-R781 HydrophobicContact CD2-CB 3.79Å; W722-R781 HydrophobicContact CE3-CB 3.55Å; W722-R781 HydrophobicContact CG-CB 4.42Å; W722-R781 HydrophobicContact CH2-CB 4.17Å; W722-R781 HydrophobicContact CZ2-CB 4.38Å; W722-R781 HydrophobicContact CZ3-CB 3.76Å; R781-E789 HydrophobicContact CB-CB 4.47Å; R781-E789 IonicContact CZ-OE2 2.67Å; R781-E789 VanDerWaalsContact CZ-OE2 3.23Å; R781-E789 PolarHBondContact N-O 3.23Å; R781-E789 IonicContact NE-OE2 2.64Å; R781-E789 PolarHBondContact NE-OE2 3.09Å; R781-E789 VanDerWaalsContact NH2-CD 3.32Å; R781-E789 IonicContact NH2-OE1 2.94Å; R781-E789 PolarHBondContact NH2-OE1 3.47Å; R781-E789 VanDerWaalsContact NH2-OE1 3.14Å; R781-E789 IonicContact NH2-OE2 2.67Å; R781-E789 PolarHBondContact NH2-OE2 2.84Å; R781-E789 PolarHBondContact O-N 3.32Å
782	F	92.3	Very high	92.6	Very high	103 Å²	103	40.9 Å²	40.9	45%	0.452	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.1	171.7	-174	-115.7	0	0	0	110.9	P784 M788 L814	F782-P784 HydrophobicContact CD1-CG 4.41Å; F782-P784 HydrophobicContact CE1-CB 4.36Å; F782-P784 HydrophobicContact CE1-CG 4.32Å; F782-M788 HydrophobicContact CB-SD 3.62Å; F782-M788 HydrophobicContact CD2-CG 4.08Å; F782-M788 HydrophobicContact CD2-SD 3.65Å; F782-M788 HydrophobicContact CG-SD 4.1Å; F782-L814 HydrophobicContact CE2-CD2 3.86Å; F782-L814 HydrophobicContact CZ-CD2 4.1Å
783	D	90.8	Very high	92.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.4	166.7	-178.2	-47.2	0	0	0	108.6	P710 W711 V785 R786 G787	P710-D783 VanDerWaalsContact CA-OD2 3.29Å; P710-D783 WeakPolarHBondContact CA-OD2 3.43Å; W711-D783 PolarHBondContact N-OD2 3.11Å; D783-V785 PolarHBondContact O-N 2.86Å; D783-V785 WeakPolarHBondContact OD1-CA 3.36Å; D783-V785 WeakPolarHBondContact OD1-CB 3.33Å; D783-V785 PolarHBondContact OD1-N 2.68Å; D783-R786 HydrophobicContact CB-CB 4.05Å; D783-R786 HydrophobicContact CB-CG 4.45Å; D783-R786 PolarHBondContact O-N 3.44Å; D783-R786 PolarHBondContact OD1-N 3.31Å; D783-R786 IonicContact OD2-NE 3.27Å; D783-R786 PolarHBondContact OD2-NE 2.87Å; D783-G787 PolarHBondContact N-O 2.67Å; D783-G787 PolarHBondContact O-N 3.03Å
784	P	87.7	Confident	93	Very high	64 Å²	64	32 Å²	32	42%	0.416	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.2	-177.2	-25.3	35.2	0	0	0	115.9	F782	F782-P784 HydrophobicContact CD1-CG 4.41Å; F782-P784 HydrophobicContact CE1-CB 4.36Å; F782-P784 HydrophobicContact CE1-CG 4.32Å
785	V	87.1	Confident	93.1	Very high	68 Å²	68	28.9 Å²	28.9	41%	0.412	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-36.6	178.6	-167.4	0	0	0	0	110.8	W711 D783	W711-V785 HydrophobicContact CE3-CG2 4.04Å; D783-V785 PolarHBondContact O-N 2.86Å; D783-V785 WeakPolarHBondContact OD1-CA 3.36Å; D783-V785 WeakPolarHBondContact OD1-CB 3.33Å; D783-V785 PolarHBondContact OD1-N 2.68Å
786	R	88	Confident	93.1	Very high	25 Å²	25	28.7 Å²	28.7	9%	0.094	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-38.8	-170.7	-50.3	-161.9	-57	155.7	-1.3	114.1	L703 S708 D783 E789 L811 S813 L814	L703-R786 PolarHBondContact O-NH1 3Å; S708-R786 WeakPolarHBondContact O-CD 3.28Å; D783-R786 HydrophobicContact CB-CB 4.05Å; D783-R786 HydrophobicContact CB-CG 4.45Å; D783-R786 PolarHBondContact O-N 3.44Å; D783-R786 PolarHBondContact OD1-N 3.31Å; D783-R786 IonicContact OD2-NE 3.27Å; D783-R786 PolarHBondContact OD2-NE 2.87Å; R786-E789 IonicContact CZ-OE1 2.7Å; R786-E789 IonicContact NE-OE1 2.83Å; R786-E789 IonicContact NH2-OE1 3.02Å; R786-E789 PolarHBondContact NH2-OE1 3.45Å; R786-L811 HydrophobicContact CB-CD1 4.22Å; R786-L811 HydrophobicContact CB-CD2 4.26Å; R786-S813 WeakPolarHBondContact O-CA 3.4Å; R786-L814 PolarHBondContact O-N 2.94Å
787	G	91.2	Very high	93.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.7	-152.8	-175.5	0	0	0	0	0	113.2	D783 R812	D783-G787 PolarHBondContact N-O 2.67Å; D783-G787 PolarHBondContact O-N 3.03Å; G787-R812 WeakPolarHBondContact CA-O 3.34Å
788	M	93	Very high	92.9	Very high	43 Å²	43	30 Å²	30	21%	0.212	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.8	179.1	-73.3	-66.6	-61.2	0	0	111.1	R780 F782 Y790 R812	R780-M788 HydrophobicContact CB-CE 4.07Å; R780-M788 HydrophobicContact CG-CE 4.32Å; F782-M788 HydrophobicContact CB-SD 3.62Å; F782-M788 HydrophobicContact CD2-CG 4.08Å; F782-M788 HydrophobicContact CD2-SD 3.65Å; F782-M788 HydrophobicContact CG-SD 4.1Å; M788-Y790 HydrophobicContact CB-CD2 4.36Å; M788-Y790 HydrophobicContact CB-CE2 3.38Å; M788-Y790 WeakPolarHBondContact CB-OH 3.26Å; M788-Y790 HydrophobicContact CE-CE1 4.22Å; M788-Y790 HydrophobicContact CG-CE2 4.49Å; M788-Y790 WeakPolarHBondContact O-CD2 3.34Å; M788-Y790 WeakPolarHBondContact O-CE2 3.13Å; M788-R812 HydrophobicContact CB-CB 4.28Å; M788-R812 PolarHBondContact N-O 3.45Å; M788-R812 PolarHBondContact O-N 3.1Å
789	E	93	Very high	92.4	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.4	171.3	-62.1	172.4	-176.5	0	0	110.4	W722 R780 R781 R786 L811	W722-E789 HydrophobicContact CH2-CB 3.75Å; W722-E789 VanDerWaalsContact CH2-OE2 3.25Å; W722-E789 WeakPolarHBondContact CH2-OE2 3.38Å; W722-E789 WeakPolarHBondContact CZ2-OE2 3.48Å; W722-E789 HydrophobicContact CZ3-CB 4.04Å; R780-E789 CarbonylContact C-O 3.58Å; R780-E789 VanDerWaalsContact CA-O 3.28Å; R780-E789 WeakPolarHBondContact CA-O 3.22Å; R781-E789 HydrophobicContact CB-CB 4.47Å; R781-E789 IonicContact CZ-OE2 2.67Å; R781-E789 VanDerWaalsContact CZ-OE2 3.23Å; R781-E789 PolarHBondContact N-O 3.23Å; R781-E789 IonicContact NE-OE2 2.64Å; R781-E789 PolarHBondContact NE-OE2 3.09Å; R781-E789 VanDerWaalsContact NH2-CD 3.32Å; R781-E789 IonicContact NH2-OE1 2.94Å; R781-E789 PolarHBondContact NH2-OE1 3.47Å; R781-E789 VanDerWaalsContact NH2-OE1 3.14Å; R781-E789 IonicContact NH2-OE2 2.67Å; R781-E789 PolarHBondContact NH2-OE2 2.84Å; R781-E789 PolarHBondContact O-N 3.32Å; R786-E789 IonicContact CZ-OE1 2.7Å; R786-E789 IonicContact NE-OE1 2.83Å; R786-E789 IonicContact NH2-OE1 3.02Å; R786-E789 PolarHBondContact NH2-OE1 3.45Å; E789-L811 HydrophobicContact CG-CD1 4Å
790	Y	95.3	Very high	91.9	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.6	172.5	-52.7	-103.9	0	0	0	110.7	F725 D749 I753 Y779 R780 M788 L810 R812	F725-Y790 HydrophobicContact CE1-CD1 4.42Å; F725-Y790 HydrophobicContact CZ-CD1 4.26Å; D749-Y790 PolarHBondContact OD2-OH 3.29Å; I753-Y790 HydrophobicContact CD1-CD1 3.86Å; I753-Y790 HydrophobicContact CD1-CD2 3.97Å; I753-Y790 HydrophobicContact CD1-CE1 3.35Å; I753-Y790 HydrophobicContact CD1-CE2 3.47Å; I753-Y790 VanDerWaalsContact CD1-CE2 3.47Å; I753-Y790 HydrophobicContact CD1-CG 4.16Å; I753-Y790 WeakPolarHBondContact CD1-OH 3.37Å; I753-Y790 HydrophobicContact CG2-CG 4.44Å; Y779-Y790 CarbonylContact O-C 3.52Å; Y779-Y790 VanDerWaalsContact O-CA 3.28Å; Y779-Y790 WeakPolarHBondContact O-CA 3.42Å; R780-Y790 HydrophobicContact CB-CD1 3.53Å; R780-Y790 HydrophobicContact CB-CE1 3.67Å; R780-Y790 HydrophobicContact CB-CG 4.37Å; M788-Y790 HydrophobicContact CB-CD2 4.36Å; M788-Y790 HydrophobicContact CB-CE2 3.38Å; M788-Y790 WeakPolarHBondContact CB-OH 3.26Å; M788-Y790 HydrophobicContact CE-CE1 4.22Å; M788-Y790 HydrophobicContact CG-CE2 4.49Å; M788-Y790 WeakPolarHBondContact O-CD2 3.34Å; M788-Y790 WeakPolarHBondContact O-CE2 3.13Å; Y790-L810 PolarHBondContact N-O 2.91Å; Y790-L810 PolarHBondContact O-N 3.15Å; Y790-R812 HydrophobicContact CE2-CB 4.14Å
791	T	95.6	Very high	91.5	Very high	15 Å²	15	35.3 Å²	35.3	9%	0.092	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.5	164.4	-59.2	0	0	0	0	107.6	G778 Y779 R807 Y809	G778-T791 CarbonylContact C-O 3.54Å; G778-T791 WeakPolarHBondContact CA-O 3.42Å; Y779-T791 PolarHBondContact N-O 3Å; Y779-T791 PolarHBondContact O-N 3.39Å; T791-R807 HydrophobicContact CG2-CG 3.83Å; T791-Y809 HydrophobicContact CG2-CD1 3.86Å; T791-Y809 HydrophobicContact CG2-CE1 3.54Å; T791-Y809 WeakPolarHBondContact OG1-CD1 3.48Å
792	V	96.1	Very high	91.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.4	-166.6	-170.9	0	0	0	0	110.5	I753 T754 L775 L794 R807 I808 L810	I753-V792 HydrophobicContact CG2-CG2 4.43Å; T754-V792 HydrophobicContact CG2-CG1 4.45Å; L775-V792 HydrophobicContact CD1-CG1 3.47Å; L775-V792 VanDerWaalsContact CD1-CG1 3.47Å; V792-L794 HydrophobicContact CG1-CD2 3.61Å; V792-L794 HydrophobicContact CG1-CG 4.18Å; V792-R807 CarbonylContact O-C 3.57Å; V792-R807 WeakPolarHBondContact O-CA 3.36Å; V792-I808 PolarHBondContact N-O 3.01Å; V792-I808 PolarHBondContact O-N 3.33Å; V792-L810 HydrophobicContact CG2-CD1 4.02Å
793	D	96.4	Very high	91.4	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.6	177.1	-65.1	-51.9	0	0	0	110.7	L776 S777 R807	L776-D793 HydrophobicContact CB-CB 4.31Å; L776-D793 PolarHBondContact N-O 3.01Å; S777-D793 PolarHBondContact O-N 3.46Å; S777-D793 PolarHBondContact OG-OD2 3.26Å; D793-R807 VanDerWaalsContact OD1-CB 3.32Å; D793-R807 WeakPolarHBondContact OD1-CB 3.19Å; D793-R807 IonicContact OD1-CZ 3.23Å; D793-R807 IonicContact OD1-NE 2.76Å; D793-R807 PolarHBondContact OD1-NE 2.95Å; D793-R807 IonicContact OD1-NH2 3.07Å; D793-R807 PolarHBondContact OD1-NH2 2.83Å; D793-R807 IonicContact OD2-CZ 3.65Å; D793-R807 IonicContact OD2-NE 3.8Å; D793-R807 IonicContact OD2-NH2 2.72Å; D793-R807 PolarHBondContact OD2-NH2 2.87Å
794	L	95.9	Very high	91.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136	-179.6	-59.3	-173.2	0	0	0	111.1	T754 A757 V758 F772 L775 V792 F796 T805 R806 I808	T754-L794 HydrophobicContact CG2-CD2 4.19Å; A757-L794 HydrophobicContact CB-CD1 4.14Å; V758-L794 HydrophobicContact CG2-CD1 3.79Å; F772-L794 HydrophobicContact CD2-CB 4.37Å; F772-L794 HydrophobicContact CE2-CB 3.98Å; F772-L794 HydrophobicContact CE2-CD1 4.26Å; F772-L794 HydrophobicContact CE2-CD2 3.86Å; F772-L794 HydrophobicContact CE2-CG 4.25Å; F772-L794 HydrophobicContact CZ-CD2 4.32Å; L775-L794 HydrophobicContact CD1-CD2 3.99Å; V792-L794 HydrophobicContact CG1-CD2 3.61Å; V792-L794 HydrophobicContact CG1-CG 4.18Å; L794-F796 HydrophobicContact CB-CD2 4.27Å; L794-F796 HydrophobicContact CB-CE2 3.59Å; L794-F796 HydrophobicContact CB-CZ 4.34Å; L794-F796 HydrophobicContact CD1-CE2 4.28Å; L794-F796 HydrophobicContact CD1-CZ 4.32Å; L794-T805 WeakPolarHBondContact O-CA 3.07Å; L794-R806 PolarHBondContact N-O 3.29Å; L794-R806 PolarHBondContact O-N 3.22Å; L794-I808 HydrophobicContact CD1-CD1 3.62Å; L794-I808 HydrophobicContact CG-CD1 4.24Å
795	E	94.9	Very high	91.7	Very high	15 Å²	15	44.9 Å²	44.9	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.6	173.4	-171.4	171.7	68.5	0	0	111.1	R773 K774 L776 L803	R773-E795 HydrophobicContact CB-CG 4.43Å; R773-E795 VanDerWaalsContact CD-OE1 3.28Å; R773-E795 WeakPolarHBondContact CD-OE1 2.97Å; R773-E795 IonicContact CZ-OE1 3.42Å; R773-E795 PolarHBondContact N-O 3.03Å; R773-E795 IonicContact NE-OE1 3.26Å; R773-E795 IonicContact NH1-OE1 3.13Å; R773-E795 PolarHBondContact NH1-OE1 2.91Å; R773-E795 IonicContact NH1-OE2 2.73Å; K774-E795 HydrophobicContact CG-CB 4.33Å; K774-E795 PolarHBondContact O-N 3.26Å; L776-E795 HydrophobicContact CD1-CB 3.87Å; L776-E795 HydrophobicContact CD1-CG 4.45Å; L776-E795 HydrophobicContact CD2-CB 4.32Å; L776-E795 HydrophobicContact CG-CB 3.86Å; E795-L803 HydrophobicContact CG-CD2 4.49Å
796	F	94.5	Very high	92	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.5	177.2	-68.5	-98.7	0	0	0	111	V758 L761 T767 L770 Q771 F772 L794 S804 R806	V758-F796 HydrophobicContact CG2-CZ 4.45Å; L761-F796 HydrophobicContact CD1-CE2 3.79Å; L761-F796 HydrophobicContact CD1-CZ 3.68Å; T767-F796 HydrophobicContact CG2-CD1 3.95Å; T767-F796 HydrophobicContact CG2-CE1 3.6Å; T767-F796 HydrophobicContact CG2-CE2 4.17Å; T767-F796 HydrophobicContact CG2-CG 4.42Å; T767-F796 HydrophobicContact CG2-CZ 3.74Å; L770-F796 HydrophobicContact CB-CB 4.03Å; L770-F796 HydrophobicContact CB-CD1 4.1Å; L770-F796 HydrophobicContact CB-CG 4.37Å; L770-F796 HydrophobicContact CD1-CB 4.39Å; L770-F796 HydrophobicContact CD2-CB 4.45Å; Q771-F796 CarbonylContact O-C 3.54Å; Q771-F796 VanDerWaalsContact O-CA 3.24Å; Q771-F796 WeakPolarHBondContact O-CA 3.46Å; F772-F796 VanDerWaalsContact CA-CD1 3.49Å; F772-F796 HydrophobicContact CB-CD1 4.01Å; F772-F796 HydrophobicContact CB-CE1 3.7Å; F772-F796 HydrophobicContact CB-CZ 4.37Å; F772-F796 HydrophobicContact CD2-CE1 4.15Å; F772-F796 HydrophobicContact CD2-CE2 4.35Å; F772-F796 HydrophobicContact CD2-CZ 4.02Å; F772-F796 HydrophobicContact CG-CE1 4.4Å; L794-F796 HydrophobicContact CB-CD2 4.27Å; L794-F796 HydrophobicContact CB-CE2 3.59Å; L794-F796 HydrophobicContact CB-CZ 4.34Å; L794-F796 HydrophobicContact CD1-CE2 4.28Å; L794-F796 HydrophobicContact CD1-CZ 4.32Å; F796-S804 PolarHBondContact N-O 2.65Å; F796-S804 PolarHBondContact O-N 2.84Å; F796-S804 PolarHBondContact O-OG 3.26Å; F796-S804 VanDerWaalsContact O-OG 3.11Å; F796-R806 HydrophobicContact CD2-CB 4.33Å; F796-R806 HydrophobicContact CD2-CG 4.04Å; F796-R806 HydrophobicContact CE2-CB 4.1Å; F796-R806 HydrophobicContact CE2-CG 4.14Å
797	N	93.7	Very high	92.3	Very high	47 Å²	47	50.7 Å²	50.7	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131	172.8	-70.7	14.4	0	0	0	110.6	L770 Q771 R773 L803	L770-N797 WeakPolarHBondContact CA-O 3.5Å; Q771-N797 PolarHBondContact N-O 3.43Å; Q771-N797 PolarHBondContact O-N 3.12Å; R773-N797 WeakPolarHBondContact CD-OD1 3.4Å; N797-L803 WeakPolarHBondContact OD1-CD2 3.31Å
798	D	88.3	Confident	92.4	Very high	59 Å²	59	51.1 Å²	51.1	32%	0.316	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	159.7	161.1	174.3	35	0	0	0	110.9	L770 A800 G801 R802	L770-D798 HydrophobicContact CD2-CB 3.92Å; D798-A800 PolarHBondContact O-N 2.9Å; D798-A800 VanDerWaalsContact O-N 3.16Å; D798-A800 WeakPolarHBondContact OD2-CB 3.44Å; D798-G801 WeakPolarHBondContact O-CA 3.22Å; D798-G801 PolarHBondContact O-N 3.25Å; D798-R802 HydrophobicContact CB-CB 4.19Å; D798-R802 PolarHBondContact N-O 2.85Å
799	A	84.5	Confident	92.4	Very high	101 Å²	101	57 Å²	57	84%	0.835	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.1	176	0	0	0	0	0	113	G801	A799-G801 PolarHBondContact O-N 2.91Å
800	A	86.4	Confident	92.3	Very high	71 Å²	71	57.7 Å²	57.7	59%	0.587	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	10	172.1	0	0	0	0	0	114.3	D798 R802	D798-A800 PolarHBondContact O-N 2.9Å; D798-A800 VanDerWaalsContact O-N 3.16Å; D798-A800 WeakPolarHBondContact OD2-CB 3.44Å; A800-R802 HydrophobicContact CB-CG 4.29Å; A800-R802 PolarHBondContact O-N 2.77Å
801	G	85.6	Confident	92.2	Very high	51 Å²	51	59.6 Å²	59.6	53%	0.526	32%	0.318	S	S	.	.	S	Bend	trans	71.8	9.7	-177.5	0	0	0	0	0	114.6	D798 A799	D798-G801 WeakPolarHBondContact O-CA 3.22Å; D798-G801 PolarHBondContact O-N 3.25Å; A799-G801 PolarHBondContact O-N 2.91Å
802	R	90.7	Very high	92	Very high	182 Å²	182	65.7 Å²	65.7	69%	0.687	34%	0.34	S	S	*	.			trans	-77.4	132.4	179.6	-63.4	176.6	178	179	0.6	110	D798 A800	D798-R802 HydrophobicContact CB-CB 4.19Å; D798-R802 PolarHBondContact N-O 2.85Å; A800-R802 HydrophobicContact CB-CG 4.29Å; A800-R802 PolarHBondContact O-N 2.77Å
803	L	91.4	Very high	91.6	Very high	101 Å²	101	69.2 Å²	69.2	53%	0.529	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.1	176.6	-53	179.8	0	0	0	110.1	E795 N797	E795-L803 HydrophobicContact CG-CD2 4.49Å; N797-L803 WeakPolarHBondContact OD1-CD2 3.31Å
804	S	90.6	Very high	91.2	Very high	33 Å²	33	72.5 Å²	72.5	23%	0.231	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.5	173.3	66.8	0	0	0	0	110	F796	F796-S804 PolarHBondContact N-O 2.65Å; F796-S804 PolarHBondContact O-N 2.84Å; F796-S804 PolarHBondContact O-OG 3.26Å; F796-S804 VanDerWaalsContact O-OG 3.11Å
805	T	92.5	Very high	90.5	Very high	93 Å²	93	75.9 Å²	75.9	57%	0.571	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.5	-176.4	54.8	0	0	0	0	110.6	L776 L794	L776-T805 HydrophobicContact CD1-CG2 3.5Å; L794-T805 WeakPolarHBondContact O-CA 3.07Å
806	R	93.6	Very high	89.8	Confident	88 Å²	88	84.8 Å²	84.8	33%	0.332	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.9	176.4	-61.1	-60.2	-175.6	95	10.9	109.7	L761 K766 L794 F796	L761-R806 HydrophobicContact CD1-CB 4.08Å; L761-R806 HydrophobicContact CD1-CG 4.46Å; K766-R806 VanDerWaalsContact O-CZ 3.24Å; K766-R806 PolarHBondContact O-NH1 2.9Å; K766-R806 PolarHBondContact O-NH2 3.47Å; L794-R806 PolarHBondContact N-O 3.29Å; L794-R806 PolarHBondContact O-N 3.22Å; F796-R806 HydrophobicContact CD2-CB 4.33Å; F796-R806 HydrophobicContact CD2-CG 4.04Å; F796-R806 HydrophobicContact CE2-CB 4.1Å; F796-R806 HydrophobicContact CE2-CG 4.14Å
807	R	94.5	Very high	89	Confident	128 Å²	128	89.9 Å²	89.9	48%	0.483	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.8	168.8	-176.8	162.9	-74.1	-167	-5.9	110.1	T791 V792 D793 Y809	T791-R807 HydrophobicContact CG2-CG 3.83Å; V792-R807 CarbonylContact O-C 3.57Å; V792-R807 WeakPolarHBondContact O-CA 3.36Å; D793-R807 VanDerWaalsContact OD1-CB 3.32Å; D793-R807 WeakPolarHBondContact OD1-CB 3.19Å; D793-R807 IonicContact OD1-CZ 3.23Å; D793-R807 IonicContact OD1-NE 2.76Å; D793-R807 PolarHBondContact OD1-NE 2.95Å; D793-R807 IonicContact OD1-NH2 3.07Å; D793-R807 PolarHBondContact OD1-NH2 2.83Å; D793-R807 IonicContact OD2-CZ 3.65Å; D793-R807 IonicContact OD2-NE 3.8Å; D793-R807 IonicContact OD2-NH2 2.72Å; D793-R807 PolarHBondContact OD2-NH2 2.87Å; R807-Y809 WeakPolarHBondContact CD-OH 3.17Å; R807-Y809 HydrophobicContact CG-CE1 4.45Å; R807-Y809 HydrophobicContact CG-CE2 4.41Å
808	I	93.6	Very high	88.2	Confident	9 Å²	9	93.1 Å²	93.1	5%	0.046	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.9	177.3	-47.5	165	0	0	0	108.4	A757 L761 V792 L794 L810	A757-I808 HydrophobicContact CB-CD1 3.72Å; L761-I808 HydrophobicContact CD1-CD1 3.57Å; L761-I808 HydrophobicContact CD1-CG1 4.17Å; L761-I808 HydrophobicContact CD2-CD1 4.4Å; L761-I808 HydrophobicContact CG-CD1 3.81Å; L761-I808 HydrophobicContact CG-CG1 4.42Å; V792-I808 PolarHBondContact N-O 3.01Å; V792-I808 PolarHBondContact O-N 3.33Å; L794-I808 HydrophobicContact CD1-CD1 3.62Å; L794-I808 HydrophobicContact CG-CD1 4.24Å; I808-L810 HydrophobicContact CG2-CD1 4.46Å; I808-L810 HydrophobicContact CG2-CD2 3.72Å; I808-L810 HydrophobicContact CG2-CG 3.9Å
809	Y	92.3	Very high	87.7	Confident	168 Å²	168	98.2 Å²	98.2	66%	0.659	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.5	171	-55.6	-78.8	0	0	0	108.5	T791 R807	T791-Y809 HydrophobicContact CG2-CD1 3.86Å; T791-Y809 HydrophobicContact CG2-CE1 3.54Å; T791-Y809 WeakPolarHBondContact OG1-CD1 3.48Å; R807-Y809 WeakPolarHBondContact CD-OH 3.17Å; R807-Y809 HydrophobicContact CG-CE1 4.45Å; R807-Y809 HydrophobicContact CG-CE2 4.41Å
810	L	92.5	Very high	87	Confident	27 Å²	27	100.1 Å²	100.1	14%	0.141	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.5	-174	-60.3	167.1	0	0	0	109.3	I753 Y756 A757 Y790 V792 I808	I753-L810 HydrophobicContact CG2-CD1 3.62Å; Y756-L810 HydrophobicContact CD1-CD2 4.37Å; Y756-L810 HydrophobicContact CE1-CD2 4.36Å; A757-L810 HydrophobicContact CB-CD1 3.75Å; Y790-L810 PolarHBondContact N-O 2.91Å; Y790-L810 PolarHBondContact O-N 3.15Å; V792-L810 HydrophobicContact CG2-CD1 4.02Å; I808-L810 HydrophobicContact CG2-CD1 4.46Å; I808-L810 HydrophobicContact CG2-CD2 3.72Å; I808-L810 HydrophobicContact CG2-CG 3.9Å
811	L	91.6	Very high	86.6	Confident	45 Å²	45	102.1 Å²	102.1	24%	0.236	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	111.5	177	175	54.6	0	0	0	109	P704 L707 R786 E789 S813	P704-L811 HydrophobicContact CG-CD2 4.4Å; L707-L811 HydrophobicContact CD1-CD2 3.44Å; L707-L811 VanDerWaalsContact CD1-CD2 3.44Å; L707-L811 HydrophobicContact CD1-CG 4.33Å; R786-L811 HydrophobicContact CB-CD1 4.22Å; R786-L811 HydrophobicContact CB-CD2 4.26Å; E789-L811 HydrophobicContact CG-CD1 4Å; L811-S813 PolarHBondContact O-N 2.97Å
812	R	91.7	Very high	86.2	Confident	144 Å²	144	104.2 Å²	104.2	54%	0.543	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	97.4	171.9	-179.2	177.8	179.6	170.1	1	107.5	D749 G787 M788 Y790	D749-R812 IonicContact OD1-CZ 3.13Å; D749-R812 IonicContact OD1-NH1 4Å; D749-R812 PolarHBondContact OD1-NH1 3.39Å; G787-R812 WeakPolarHBondContact CA-O 3.34Å; M788-R812 HydrophobicContact CB-CB 4.28Å; M788-R812 PolarHBondContact N-O 3.45Å; M788-R812 PolarHBondContact O-N 3.1Å; Y790-R812 HydrophobicContact CE2-CB 4.14Å
813	S	89.1	Confident	85.8	Confident	75 Å²	75	98.1 Å²	98.1	52%	0.524	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	155.3	-174.2	52.8	0	0	0	0	113.4	R786 L811	R786-S813 WeakPolarHBondContact O-CA 3.4Å; L811-S813 PolarHBondContact O-N 2.97Å
814	L	87.1	Confident	85.2	Confident	86 Å²	86	102.1 Å²	102.1	45%	0.45	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-61	138.1	173.3	-66	175.9	0	0	0	111.5	F782 R786	F782-L814 HydrophobicContact CE2-CD2 3.86Å; F782-L814 HydrophobicContact CZ-CD2 4.1Å; R786-L814 PolarHBondContact O-N 2.94Å
815	G	81.3	Confident	84.6	Confident	70 Å²	70	101.7 Å²	101.7	72%	0.722	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-70	169	170.1	0	0	0	0	0	112.3	A817	G815-A817 PolarHBondContact O-N 2.98Å
816	K	79.6	Confident	84	Confident	202 Å²	202	99.9 Å²	99.9	88%	0.878	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-62.4	126.1	171.8	-67.2	-174.1	177.6	-176.3	0	109.5	T818	K816-T818 PolarHBondContact O-N 3.35Å
817	A	78.6	Confident	83.2	Confident	107 Å²	107	100.4 Å²	100.4	88%	0.884	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.4	122.3	179.2	0	0	0	0	0	111.1	G815	G815-A817 PolarHBondContact O-N 2.98Å
818	T	76.6	Confident	82.6	Confident	115 Å²	115	98 Å²	98	71%	0.706	55%	0.545	S	S	*	.			trans	-110.6	122.5	176.4	45.2	0	0	0	0	109.8	K816 L820	K816-T818 PolarHBondContact O-N 3.35Å; T818-L820 PolarHBondContact O-N 3.34Å
819	I	76.9	Confident	82.2	Confident	167 Å²	167	102.2 Å²	102.2	86%	0.856	56%	0.56	S	S	*	*			trans	-80	110.7	171.5	-59.5	174.4	0	0	0	107.1	P821	I819-P821 WeakPolarHBondContact O-CD 3.28Å
820	L	71.4	Confident	82.1	Confident	140 Å²	140	96 Å²	96	73%	0.733	54%	0.541	S	S	*	.			trans	-74.9	119.2	173.1	-64.1	177.6	0	0	0	109.3	T818 V822	T818-L820 PolarHBondContact O-N 3.34Å; L820-V822 PolarHBondContact O-N 2.87Å; L820-V822 VanDerWaalsContact O-N 3.11Å
821	P	77.9	Confident	82	Confident	114 Å²	114	94.8 Å²	94.8	74%	0.74	54%	0.535	S	S	*	.			trans	-76.3	101.5	179.9	30.3	-33.2	0	0	0	110.3	I819	I819-P821 WeakPolarHBondContact O-CD 3.28Å
822	V	77.4	Confident	82.1	Confident	94 Å²	94	92.7 Å²	92.7	57%	0.57	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-76.8	144.5	169.3	-62.8	0	0	0	0	110.6	L820 I955 F958	L820-V822 PolarHBondContact O-N 2.87Å; L820-V822 VanDerWaalsContact O-N 3.11Å; V822-I955 HydrophobicContact CB-CD1 4.45Å; V822-F958 HydrophobicContact CB-CE1 4.32Å; V822-F958 HydrophobicContact CG1-CE1 4.03Å; V822-F958 HydrophobicContact CG1-CZ 4.29Å
823	P	82.5	Confident	82.1	Confident	55 Å²	55	85.9 Å²	85.9	36%	0.357	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-61	145.7	174	-22	33.1	0	0	0	111.9	V825 I955 F958	P823-V825 VanDerWaalsContact O-CG2 3.27Å; P823-V825 WeakPolarHBondContact O-CG2 3.49Å; P823-I955 HydrophobicContact CB-CG2 3.78Å; P823-I955 HydrophobicContact CG-CG2 3.86Å; P823-F958 HydrophobicContact CG-CB 4.08Å; P823-F958 HydrophobicContact CG-CD1 4.14Å; P823-F958 HydrophobicContact CG-CD2 3.98Å; P823-F958 HydrophobicContact CG-CE2 4.46Å; P823-F958 HydrophobicContact CG-CG 3.8Å
824	F	77.5	Confident	82.3	Confident	184 Å²	184	82.3 Å²	82.3	81%	0.807	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-68.3	134.5	-179.1	-177.3	-108.2	0	0	0	112.1	T826	F824-T826 HydrophobicContact CD1-CG2 4.14Å; F824-T826 HydrophobicContact CE1-CG2 3.41Å; F824-T826 VanDerWaalsContact CE1-CG2 3.41Å; F824-T826 HydrophobicContact CZ-CG2 3.95Å
825	V	79	Confident	82.6	Confident	24 Å²	24	78.3 Å²	78.3	15%	0.145	45%	0.452	C	S	.	.			trans	-126.7	153.2	-175.5	-149.8	0	0	0	0	109.8	P823 R951 I955	P823-V825 VanDerWaalsContact O-CG2 3.27Å; P823-V825 WeakPolarHBondContact O-CG2 3.49Å; V825-R951 WeakPolarHBondContact CG1-O 3.33Å; V825-I955 HydrophobicContact CG2-CD1 3.66Å; V825-I955 HydrophobicContact CG2-CG1 3.73Å
826	T	79	Confident	83.1	Confident	55 Å²	55	76.2 Å²	76.2	34%	0.337	43%	0.426	S	S	.	.			trans	-133.6	139.2	-176.3	55.9	0	0	0	0	112.9	F824 A828 R829	F824-T826 HydrophobicContact CD1-CG2 4.14Å; F824-T826 HydrophobicContact CE1-CG2 3.41Å; F824-T826 VanDerWaalsContact CE1-CG2 3.41Å; F824-T826 HydrophobicContact CZ-CG2 3.95Å; T826-A828 PolarHBondContact O-N 2.93Å; T826-R829 PolarHBondContact O-N 3.1Å
827	E	77.9	Confident	83.5	Confident	100 Å²	100	66.6 Å²	66.6	47%	0.467	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.6	177	-57.9	-175.3	156.7	0	0	113.3	R829 R951 L952	E827-R829 VanDerWaalsContact C-N 3.3Å; E827-R829 PolarHBondContact O-N 3.3Å; E827-R951 WeakPolarHBondContact O-CD 3.44Å; E827-R951 PolarHBondContact O-NE 2.98Å; E827-R951 VanDerWaalsContact O-NE 3.13Å; E827-L952 HydrophobicContact CG-CD1 4.48Å; E827-L952 HydrophobicContact CG-CD2 4.04Å; E827-L952 HydrophobicContact CG-CG 4.26Å
828	A	80.6	Confident	83.8	Confident	77 Å²	77	63.1 Å²	63.1	64%	0.636	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.3	178.1	0	0	0	0	0	114.3	T826 N862	T826-A828 PolarHBondContact O-N 2.93Å; A828-N862 PolarHBondContact O-ND2 3.35Å
829	R	86.6	Confident	84.1	Confident	98 Å²	98	59.4 Å²	59.4	37%	0.37	33%	0.329	S	S	.	.	S	Bend	trans	-67.2	138.7	-176.1	-71.3	-168.2	176.6	-148.2	-2.3	112	T826 E827 R951 Y1007	T826-R829 PolarHBondContact O-N 3.1Å; E827-R829 VanDerWaalsContact C-N 3.3Å; E827-R829 PolarHBondContact O-N 3.3Å; R829-R951 PolarHBondContact O-NE 3.12Å; R829-Y1007 WeakPolarHBondContact CD-OH 3.2Å; R829-Y1007 VanDerWaalsContact NH1-CZ 3.34Å; R829-Y1007 PolarHBondContact NH1-OH 2.89Å
830	S	88.5	Confident	84.3	Confident	38 Å²	38	56.1 Å²	56.1	27%	0.266	31%	0.314	S	S	.	.			trans	-72.2	130.7	175.8	-154.6	0	0	0	0	110.1	N862	S830-N862 WeakPolarHBondContact CA-O 3.41Å; S830-N862 VanDerWaalsContact CB-OD1 3.22Å; S830-N862 WeakPolarHBondContact CB-OD1 3.13Å; S830-N862 PolarHBondContact N-ND2 3.07Å; S830-N862 PolarHBondContact OG-OD1 3.49Å
831	V	91.5	Very high	85.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.7	177.3	-176.5	0	0	0	0	109.5	N862 C863 K864 L932 F934 L947 V950 R951	V831-N862 PolarHBondContact N-O 3.21Å; V831-C863 CarbonylContact O-C 3.6Å; V831-C863 VanDerWaalsContact O-CA 3.25Å; V831-C863 WeakPolarHBondContact O-CA 3.22Å; V831-K864 PolarHBondContact O-N 3.37Å; V831-L932 HydrophobicContact CG2-CD2 4.03Å; V831-F934 HydrophobicContact CG1-CB 3.78Å; V831-L947 HydrophobicContact CB-CD2 4.1Å; V831-L947 HydrophobicContact CG1-CD2 3.98Å; V831-L947 HydrophobicContact CG2-CD2 4.29Å; V831-V950 HydrophobicContact CG1-CG1 3.86Å; V831-V950 HydrophobicContact CG2-CG1 4.08Å; V831-R951 HydrophobicContact CG2-CG 3.68Å
832	T	92.5	Very high	85.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	98.6	174.7	-63.7	0	0	0	0	109.4	K864 V866 F923 E931 L932 I933 F934	T832-K864 CarbonylContact C-O 3.59Å; T832-K864 HydrophobicContact CG2-CB 4.41Å; T832-V866 HydrophobicContact CG2-CG2 3.92Å; T832-F923 HydrophobicContact CG2-CE1 4.43Å; T832-F923 HydrophobicContact CG2-CZ 3.89Å; T832-E931 PolarHBondContact OG1-OE2 2.91Å; T832-L932 PolarHBondContact N-O 3.47Å; T832-I933 WeakPolarHBondContact O-CA 3.46Å; T832-F934 PolarHBondContact O-N 2.94Å
833	L	93.3	Very high	86	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.6	176.1	-72.8	155	0	0	0	110.1	F852 Y856 C863 K864 L865 V866 F934 V936 L947	L833-F852 HydrophobicContact CD1-CD2 4.08Å; L833-F852 HydrophobicContact CD1-CE2 3.46Å; L833-F852 VanDerWaalsContact CD1-CE2 3.46Å; L833-F852 HydrophobicContact CD1-CZ 4.47Å; L833-Y856 HydrophobicContact CD1-CE2 4.43Å; L833-C863 HydrophobicContact CD1-CB 4.26Å; L833-K864 WeakPolarHBondContact CB-O 3.33Å; L833-K864 PolarHBondContact N-O 3.08Å; L833-L865 HydrophobicContact CB-CD1 3.99Å; L833-V866 PolarHBondContact O-N 3.16Å; L833-F934 CarbonylContact C-O 3.59Å; L833-F934 WeakPolarHBondContact CA-O 3.26Å; L833-F934 HydrophobicContact CD2-CB 4.37Å; L833-F934 HydrophobicContact CD2-CD1 3.49Å; L833-F934 VanDerWaalsContact CD2-CD1 3.49Å; L833-F934 HydrophobicContact CD2-CE1 4.15Å; L833-F934 HydrophobicContact CD2-CG 4.3Å; L833-V936 HydrophobicContact CD2-CG1 3.54Å; L833-V936 HydrophobicContact CD2-CG2 4.23Å; L833-L947 HydrophobicContact CD1-CD2 4.34Å; L833-L947 HydrophobicContact CD2-CD2 4.35Å; L833-L947 HydrophobicContact CG-CD2 4.49Å
834	V	92.9	Very high	86.3	Confident	1 Å²	1	48 Å²	48	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.9	176.3	175.8	0	0	0	0	108.5	P836 L868 L920 F923 I933 F934 L935 V936	V834-P836 WeakPolarHBondContact O-CD 3.29Å; V834-L868 HydrophobicContact CG1-CD1 3.5Å; V834-L868 HydrophobicContact CG1-CG 4.15Å; V834-L920 HydrophobicContact CG1-CD2 4.34Å; V834-F923 HydrophobicContact CG2-CD1 3.85Å; V834-F923 HydrophobicContact CG2-CE1 3.41Å; V834-F923 VanDerWaalsContact CG2-CE1 3.41Å; V834-F923 HydrophobicContact CG2-CZ 4Å; V834-I933 HydrophobicContact CB-CG2 4.38Å; V834-I933 HydrophobicContact CG2-CG2 3.78Å; V834-F934 PolarHBondContact N-O 3.31Å; V834-L935 HydrophobicContact CB-CD1 4.5Å; V834-L935 HydrophobicContact CG1-CD1 4.19Å; V834-V936 WeakPolarHBondContact O-CG2 3.2Å; V834-V936 PolarHBondContact O-N 3.47Å
835	L	93.8	Very high	86.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	95.9	-179.2	179.6	71.8	0	0	0	109.4	V837 F848 L865 V866 A867 L868 V936 P938	L835-V837 HydrophobicContact CD2-CG2 3.87Å; L835-V837 HydrophobicContact CG-CG2 3.77Å; L835-F848 HydrophobicContact CD1-CD1 4.29Å; L835-F848 HydrophobicContact CD1-CE1 4.26Å; L835-F848 HydrophobicContact CD2-CD1 3.7Å; L835-F848 HydrophobicContact CD2-CE1 3.81Å; L835-L865 HydrophobicContact CB-CD1 4.19Å; L835-V866 PolarHBondContact N-O 3.07Å; L835-A867 WeakPolarHBondContact O-CA 3.33Å; L835-L868 PolarHBondContact O-N 2.82Å; L835-V936 HydrophobicContact CB-CG2 4.03Å; L835-V936 HydrophobicContact CD1-CG2 3.95Å; L835-P938 HydrophobicContact CD1-CB 4.44Å; L835-P938 HydrophobicContact CD1-CG 3.99Å
836	P	90.5	Very high	87.5	Confident	26 Å²	26	41 Å²	41	17%	0.169	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.2	162.7	29.9	-34.9	0	0	0	110	V834 L868 L870 L935 V936 P938	V834-P836 WeakPolarHBondContact O-CD 3.29Å; P836-L868 WeakPolarHBondContact CA-O 3.48Å; P836-L870 HydrophobicContact CB-CD1 4.15Å; P836-L935 HydrophobicContact CG-CD1 4.05Å; P836-V936 WeakPolarHBondContact CD-O 3.49Å; P836-P938 VanDerWaalsContact O-CG 3.31Å; P836-P938 WeakPolarHBondContact O-CG 3.47Å
837	V	89.2	Confident	88	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120	176.3	-168.5	0	0	0	0	108.4	L835 D841 A845 L868 L869 L870 F881 I884	L835-V837 HydrophobicContact CD2-CG2 3.87Å; L835-V837 HydrophobicContact CG-CG2 3.77Å; V837-D841 HydrophobicContact CG1-CB 3.82Å; V837-A845 HydrophobicContact CG1-CB 3.63Å; V837-A845 HydrophobicContact CG2-CB 4.13Å; V837-L868 PolarHBondContact N-O 3.04Å; V837-L869 HydrophobicContact CB-CD2 4.11Å; V837-L869 HydrophobicContact CG2-CD2 4.26Å; V837-L870 PolarHBondContact O-N 3.1Å; V837-F881 HydrophobicContact CB-CE1 4.4Å; V837-F881 HydrophobicContact CG1-CE1 4.06Å; V837-I884 HydrophobicContact CG1-CD1 4.23Å
838	T	85.1	Confident	88.7	Confident	34 Å²	34	37.9 Å²	37.9	21%	0.209	21%	0.212	C	C	.	.			trans	-90.1	-178.1	169.7	74.3	0	0	0	0	110.8	D840 D841 F881	T838-D840 VanDerWaalsContact C-N 3.3Å; T838-D840 PolarHBondContact OG1-N 3.29Å; T838-D841 WeakPolarHBondContact CA-OD2 3.21Å; T838-D841 VanDerWaalsContact CB-OD2 3.26Å; T838-D841 WeakPolarHBondContact CB-OD2 3.23Å; T838-D841 WeakPolarHBondContact CG2-OD2 3.42Å; T838-D841 PolarHBondContact N-OD2 3.15Å; T838-D841 PolarHBondContact OG1-OD2 3.02Å; T838-F881 WeakPolarHBondContact O-CE1 3.42Å; T838-F881 WeakPolarHBondContact O-CZ 3.27Å
839	V	81.8	Confident	89.2	Confident	37 Å²	37	34.4 Å²	34.4	22%	0.224	18%	0.183	C	C	.	.	S	Bend	trans	-65.6	-36.6	178.1	-179.8	0	0	0	0	111.4	D841 I842 E877 L880 F881	V839-D841 VanDerWaalsContact C-N 3.31Å; V839-D841 PolarHBondContact O-N 3.09Å; V839-I842 HydrophobicContact CG1-CD1 4.37Å; V839-I842 WeakPolarHBondContact O-CD1 3.49Å; V839-I842 VanDerWaalsContact O-CG1 3.27Å; V839-I842 WeakPolarHBondContact O-CG1 3.49Å; V839-E877 HydrophobicContact CG2-CB 4.34Å; V839-E877 HydrophobicContact CG2-CG 3.83Å; V839-L880 HydrophobicContact CG1-CD1 3.66Å; V839-F881 HydrophobicContact CG2-CE2 3.85Å; V839-F881 HydrophobicContact CG2-CZ 4.09Å
840	D	82.4	Confident	89.3	Confident	98 Å²	98	33.2 Å²	33.2	52%	0.524	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.7	-175.7	-49.9	-27.9	0	0	0	111.6	T838 I842 H1052	T838-D840 VanDerWaalsContact C-N 3.3Å; T838-D840 PolarHBondContact OG1-N 3.29Å; D840-I842 VanDerWaalsContact C-N 3.32Å; D840-I842 PolarHBondContact O-N 2.63Å; D840-H1052 VanDerWaalsContact CG-ND1 3.3Å; D840-H1052 IonicContact OD2-CE1 3.46Å; D840-H1052 PolarHBondContact OD2-CE1 3.23Å; D840-H1052 IonicContact OD2-CG 3.94Å; D840-H1052 IonicContact OD2-ND1 2.79Å; D840-H1052 PolarHBondContact OD2-ND1 3.09Å
841	D	86.9	Confident	89.3	Confident	19 Å²	19	32.8 Å²	32.8	10%	0.102	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.2	-179.3	-61.4	-57.4	0	0	0	114.1	V837 T838 V839 E843 A844 A845 P938	V837-D841 HydrophobicContact CG1-CB 3.82Å; T838-D841 WeakPolarHBondContact CA-OD2 3.21Å; T838-D841 VanDerWaalsContact CB-OD2 3.26Å; T838-D841 WeakPolarHBondContact CB-OD2 3.23Å; T838-D841 WeakPolarHBondContact CG2-OD2 3.42Å; T838-D841 PolarHBondContact N-OD2 3.15Å; T838-D841 PolarHBondContact OG1-OD2 3.02Å; V839-D841 VanDerWaalsContact C-N 3.31Å; V839-D841 PolarHBondContact O-N 3.09Å; D841-E843 VanDerWaalsContact C-N 3.33Å; D841-E843 PolarHBondContact O-N 3.49Å; D841-A844 PolarHBondContact O-N 2.72Å; D841-A845 VanDerWaalsContact O-CB 3.25Å; D841-A845 WeakPolarHBondContact O-CB 3.46Å; D841-A845 PolarHBondContact O-N 2.74Å; D841-P938 HydrophobicContact CB-CB 3.97Å; D841-P938 HydrophobicContact CB-CG 3.8Å
842	I	87.4	Confident	89.3	Confident	29 Å²	29	32.8 Å²	32.8	15%	0.149	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-41.2	-163.3	-74.1	173.9	0	0	0	113.2	V839 D840 S846 L880 F881 I884	V839-I842 HydrophobicContact CG1-CD1 4.37Å; V839-I842 WeakPolarHBondContact O-CD1 3.49Å; V839-I842 VanDerWaalsContact O-CG1 3.27Å; V839-I842 WeakPolarHBondContact O-CG1 3.49Å; D840-I842 VanDerWaalsContact C-N 3.32Å; D840-I842 PolarHBondContact O-N 2.63Å; I842-S846 PolarHBondContact O-N 3.41Å; I842-S846 VanDerWaalsContact O-N 3.15Å; I842-L880 HydrophobicContact CD1-CB 3.74Å; I842-F881 HydrophobicContact CD1-CD1 3.83Å; I842-F881 HydrophobicContact CD1-CD2 4.45Å; I842-F881 HydrophobicContact CD1-CE1 3.86Å; I842-F881 HydrophobicContact CD1-CE2 4.45Å; I842-F881 HydrophobicContact CD1-CG 4.15Å; I842-F881 HydrophobicContact CD1-CZ 4.19Å; I842-F881 HydrophobicContact CG1-CD1 3.93Å; I842-F881 HydrophobicContact CG1-CE1 3.77Å; I842-F881 HydrophobicContact CG1-CZ 4.42Å; I842-I884 HydrophobicContact CB-CD1 4.35Å; I842-I884 HydrophobicContact CG1-CD1 4.24Å; I842-I884 HydrophobicContact CG2-CD1 4.06Å
843	E	87.7	Confident	89	Confident	165 Å²	165	37.3 Å²	37.3	77%	0.771	20%	0.198	S	C	*	.	H	α-helix	trans	-66.8	-52.6	-179.1	-62.4	-165.4	158.4	0	0	111.4	D841 A845 S846 E847	D841-E843 VanDerWaalsContact C-N 3.33Å; D841-E843 PolarHBondContact O-N 3.49Å; E843-A845 PolarHBondContact O-N 2.94Å; E843-S846 WeakPolarHBondContact O-CA 3.32Å; E843-S846 WeakPolarHBondContact O-CB 3.21Å; E843-S846 PolarHBondContact O-N 2.92Å; E843-S846 PolarHBondContact O-OG 3.45Å; E843-E847 PolarHBondContact O-N 2.98Å
844	A	88.5	Confident	88.7	Confident	20 Å²	20	42.6 Å²	42.6	17%	0.165	22%	0.221	C	C	.	.	H	α-helix	trans	-70.6	-31.2	-178.9	0	0	0	0	0	112.6	D841 S846 E847 F848 P938	D841-A844 PolarHBondContact O-N 2.72Å; A844-S846 PolarHBondContact O-N 3Å; A844-E847 WeakPolarHBondContact O-CB 3.22Å; A844-E847 PolarHBondContact O-N 2.86Å; A844-E847 VanDerWaalsContact O-N 3.08Å; A844-F848 PolarHBondContact O-N 2.75Å; A844-P938 CarbonylContact C-O 3.55Å
845	A	90.9	Very high	88.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-34.2	168.6	0	0	0	0	0	111.9	V837 D841 E843 E847 L849 I884 P938	V837-A845 HydrophobicContact CG1-CB 3.63Å; V837-A845 HydrophobicContact CG2-CB 4.13Å; D841-A845 VanDerWaalsContact O-CB 3.25Å; D841-A845 WeakPolarHBondContact O-CB 3.46Å; D841-A845 PolarHBondContact O-N 2.74Å; E843-A845 PolarHBondContact O-N 2.94Å; A845-E847 VanDerWaalsContact C-N 3.35Å; A845-L849 VanDerWaalsContact O-CB 3.26Å; A845-L849 WeakPolarHBondContact O-CB 3.35Å; A845-L849 WeakPolarHBondContact O-CD1 3.38Å; A845-L849 WeakPolarHBondContact O-CG 3.48Å; A845-L849 PolarHBondContact O-N 3.13Å; A845-I884 HydrophobicContact CB-CD1 4.07Å; A845-P938 HydrophobicContact CB-CB 4.21Å
846	S	90.7	Very high	87.9	Confident	61 Å²	61	43.9 Å²	43.9	43%	0.427	23%	0.23	S	C	.	.	H	α-helix	trans	-69.2	-32.4	173.7	85.9	0	0	0	0	112.8	I842 E843 A844 T850	I842-S846 PolarHBondContact O-N 3.41Å; I842-S846 VanDerWaalsContact O-N 3.15Å; E843-S846 WeakPolarHBondContact O-CA 3.32Å; E843-S846 WeakPolarHBondContact O-CB 3.21Å; E843-S846 PolarHBondContact O-N 2.92Å; E843-S846 PolarHBondContact O-OG 3.45Å; A844-S846 PolarHBondContact O-N 3Å; S846-T850 WeakPolarHBondContact O-CB 3.3Å; S846-T850 PolarHBondContact O-N 3.19Å; S846-T850 VanDerWaalsContact O-N 3.08Å; S846-T850 PolarHBondContact O-OG1 3.21Å
847	E	89.4	Confident	87.5	Confident	87 Å²	87	44.5 Å²	44.5	41%	0.407	23%	0.231	S	C	.	.	H	α-helix	trans	-72.6	-49.7	174.4	-158.5	-167.9	-173.3	0	0	111.2	E843 A844 A845 L849 T850 D851 R1047	E843-E847 PolarHBondContact O-N 2.98Å; A844-E847 WeakPolarHBondContact O-CB 3.22Å; A844-E847 PolarHBondContact O-N 2.86Å; A844-E847 VanDerWaalsContact O-N 3.08Å; A845-E847 VanDerWaalsContact C-N 3.35Å; E847-L849 VanDerWaalsContact C-N 3.28Å; E847-L849 PolarHBondContact O-N 3.15Å; E847-T850 WeakPolarHBondContact O-CA 3.49Å; E847-T850 WeakPolarHBondContact O-CB 3.36Å; E847-T850 PolarHBondContact O-N 3.46Å; E847-D851 PolarHBondContact O-N 2.92Å; E847-R1047 VanDerWaalsContact CG-NH1 3.32Å; E847-R1047 IonicContact OE1-CZ 3.86Å; E847-R1047 IonicContact OE1-NE 3.54Å; E847-R1047 IonicContact OE1-NH1 3.37Å; E847-R1047 IonicContact OE1-NH2 2.67Å; E847-R1047 VanDerWaalsContact OE2-CD 3.25Å; E847-R1047 WeakPolarHBondContact OE2-CD 3.42Å; E847-R1047 IonicContact OE2-CZ 3.05Å; E847-R1047 IonicContact OE2-NE 3.51Å; E847-R1047 PolarHBondContact OE2-NE 2.72Å; E847-R1047 IonicContact OE2-NH1 3.19Å; E847-R1047 PolarHBondContact OE2-NH1 3.34Å
848	F	92.5	Very high	87.1	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-50.5	-48.3	171.4	171.1	-85.8	0	0	0	111.2	L835 A844 T850 D851 F852 L865 V936 L940 V942	L835-F848 HydrophobicContact CD1-CD1 4.29Å; L835-F848 HydrophobicContact CD1-CE1 4.26Å; L835-F848 HydrophobicContact CD2-CD1 3.7Å; L835-F848 HydrophobicContact CD2-CE1 3.81Å; A844-F848 PolarHBondContact O-N 2.75Å; F848-T850 VanDerWaalsContact C-N 3.32Å; F848-T850 PolarHBondContact O-N 3.24Å; F848-D851 PolarHBondContact O-N 2.93Å; F848-F852 HydrophobicContact CD1-CB 4.47Å; F848-F852 HydrophobicContact CE1-CB 4.14Å; F848-F852 HydrophobicContact CE1-CD2 4.45Å; F848-F852 HydrophobicContact CE1-CG 4.42Å; F848-F852 HydrophobicContact CZ-CD2 4.45Å; F848-F852 WeakPolarHBondContact O-CB 3.34Å; F848-F852 PolarHBondContact O-N 2.94Å; F848-L865 HydrophobicContact CE1-CD1 4.24Å; F848-V936 HydrophobicContact CE2-CG2 4.48Å; F848-V936 HydrophobicContact CZ-CG2 4.11Å; F848-L940 HydrophobicContact CD2-CB 4.32Å; F848-L940 WeakPolarHBondContact CD2-O 3.35Å; F848-L940 HydrophobicContact CE2-CB 4.3Å; F848-L940 HydrophobicContact CE2-CD2 4.48Å; F848-V942 HydrophobicContact CD2-CG2 3.7Å; F848-V942 HydrophobicContact CE2-CG2 3.54Å; F848-V942 HydrophobicContact CG-CG2 4.47Å; F848-V942 HydrophobicContact CZ-CG2 4.19Å
849	L	91.4	Very high	87	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-45.2	177.1	-78.2	171.2	0	0	0	111	A845 E847 D851 F852 R853 L865 I884 L888 W891	A845-L849 VanDerWaalsContact O-CB 3.26Å; A845-L849 WeakPolarHBondContact O-CB 3.35Å; A845-L849 WeakPolarHBondContact O-CD1 3.38Å; A845-L849 WeakPolarHBondContact O-CG 3.48Å; A845-L849 PolarHBondContact O-N 3.13Å; E847-L849 VanDerWaalsContact C-N 3.28Å; E847-L849 PolarHBondContact O-N 3.15Å; L849-D851 VanDerWaalsContact C-N 3.28Å; L849-D851 PolarHBondContact O-N 3.49Å; L849-F852 PolarHBondContact O-N 3.37Å; L849-R853 PolarHBondContact O-N 3.5Å; L849-L865 HydrophobicContact CD2-CD2 3.56Å; L849-I884 HydrophobicContact CD1-CG1 4.5Å; L849-I884 HydrophobicContact CD1-CG2 3.97Å; L849-L888 HydrophobicContact CD2-CD2 3.77Å; L849-W891 HydrophobicContact CB-CH2 3.81Å; L849-W891 HydrophobicContact CB-CZ3 4.3Å; L849-W891 HydrophobicContact CD2-CH2 4.24Å; L849-W891 HydrophobicContact CD2-CZ3 3.86Å; L849-W891 WeakPolarHBondContact O-CH2 3.38Å
850	T	89.5	Confident	86.8	Confident	73 Å²	73	52.1 Å²	52.1	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-36.8	179.6	-63.1	0	0	0	0	112.3	S846 E847 F848 K854	S846-T850 WeakPolarHBondContact O-CB 3.3Å; S846-T850 PolarHBondContact O-N 3.19Å; S846-T850 VanDerWaalsContact O-N 3.08Å; S846-T850 PolarHBondContact O-OG1 3.21Å; E847-T850 WeakPolarHBondContact O-CA 3.49Å; E847-T850 WeakPolarHBondContact O-CB 3.36Å; E847-T850 PolarHBondContact O-N 3.46Å; F848-T850 VanDerWaalsContact C-N 3.32Å; F848-T850 PolarHBondContact O-N 3.24Å; T850-K854 WeakPolarHBondContact O-CE 3.35Å; T850-K854 WeakPolarHBondContact O-CG 3.35Å
851	D	88.4	Confident	86.8	Confident	29 Å²	29	50.7 Å²	50.7	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-82	-39.7	177.1	-64	-32.6	0	0	0	112.9	E847 F848 L849 R853 K854 S855 V942 R1047	E847-D851 PolarHBondContact O-N 2.92Å; F848-D851 PolarHBondContact O-N 2.93Å; L849-D851 VanDerWaalsContact C-N 3.28Å; L849-D851 PolarHBondContact O-N 3.49Å; D851-R853 PolarHBondContact O-N 3.07Å; D851-K854 PolarHBondContact O-N 3.04Å; D851-K854 VanDerWaalsContact O-N 3.11Å; D851-K854 IonicContact OD1-NZ 2.99Å; D851-K854 PolarHBondContact OD1-NZ 3.26Å; D851-S855 WeakPolarHBondContact O-CB 3.47Å; D851-S855 PolarHBondContact O-N 3.16Å; D851-S855 PolarHBondContact O-OG 3.43Å; D851-V942 HydrophobicContact CB-CB 4.22Å; D851-V942 HydrophobicContact CB-CG2 4.43Å; D851-R1047 IonicContact OD2-CZ 3.67Å; D851-R1047 IonicContact OD2-NH1 3.7Å; D851-R1047 IonicContact OD2-NH2 2.67Å; D851-R1047 PolarHBondContact OD2-NH2 2.86Å
852	F	89.8	Confident	86.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-51.5	-41	170.5	173.9	-92.2	0	0	0	112.1	L833 F848 L849 Y856 L857 L865 W891 V942	L833-F852 HydrophobicContact CD1-CD2 4.08Å; L833-F852 HydrophobicContact CD1-CE2 3.46Å; L833-F852 VanDerWaalsContact CD1-CE2 3.46Å; L833-F852 HydrophobicContact CD1-CZ 4.47Å; F848-F852 HydrophobicContact CD1-CB 4.47Å; F848-F852 HydrophobicContact CE1-CB 4.14Å; F848-F852 HydrophobicContact CE1-CD2 4.45Å; F848-F852 HydrophobicContact CE1-CG 4.42Å; F848-F852 HydrophobicContact CZ-CD2 4.45Å; F848-F852 WeakPolarHBondContact O-CB 3.34Å; F848-F852 PolarHBondContact O-N 2.94Å; L849-F852 PolarHBondContact O-N 3.37Å; F852-Y856 AromaticContact CD2-CD2 3.47Å; F852-Y856 HydrophobicContact CD2-CD2 3.47Å; F852-Y856 VanDerWaalsContact CD2-CD2 3.47Å; F852-Y856 AromaticContact CD2-CE2 3.99Å; F852-Y856 HydrophobicContact CD2-CE2 3.99Å; F852-Y856 AromaticContact CE2-CD2 3.5Å; F852-Y856 HydrophobicContact CE2-CD2 3.5Å; F852-Y856 HydrophobicContact CE2-CE2 4.21Å; F852-Y856 HydrophobicContact CE2-CG 4.45Å; F852-Y856 HydrophobicContact CG-CD2 4.37Å; F852-Y856 HydrophobicContact CZ-CD2 4.46Å; F852-Y856 PolarHBondContact O-N 2.87Å; F852-L857 HydrophobicContact CD1-CD1 4.07Å; F852-L857 HydrophobicContact CD1-CG 4.02Å; F852-L857 HydrophobicContact CE1-CD1 3.77Å; F852-L857 HydrophobicContact CE1-CD2 3.72Å; F852-L857 HydrophobicContact CE1-CG 3.51Å; F852-L857 HydrophobicContact CZ-CD2 4.17Å; F852-L857 HydrophobicContact CZ-CG 4.29Å; F852-L857 PolarHBondContact O-N 3.18Å; F852-L865 HydrophobicContact CD1-CD2 3.76Å; F852-L865 HydrophobicContact CE1-CB 3.85Å; F852-L865 HydrophobicContact CE1-CD2 3.66Å; F852-L865 HydrophobicContact CE1-CG 4.33Å; F852-L865 HydrophobicContact CE2-CB 4.2Å; F852-L865 HydrophobicContact CG-CD2 4.26Å; F852-L865 HydrophobicContact CZ-CB 3.6Å; F852-L865 HydrophobicContact CZ-CD2 4.13Å; F852-L865 HydrophobicContact CZ-CG 4.35Å; F852-W891 HydrophobicContact CD1-CZ3 4.33Å; F852-V942 HydrophobicContact CB-CG2 4.43Å
853	R	87.2	Confident	86.7	Confident	96 Å²	96	51.4 Å²	51.4	36%	0.362	27%	0.271	S	S	.	.	I	π-helix	trans	-61.9	-51.5	175.9	175.4	177.4	161.1	-148.9	-14.1	112.2	L849 D851 L857 E858 W891	L849-R853 PolarHBondContact O-N 3.5Å; D851-R853 PolarHBondContact O-N 3.07Å; R853-L857 HydrophobicContact CB-CD1 4.28Å; R853-L857 HydrophobicContact CG-CB 4.41Å; R853-L857 HydrophobicContact CG-CD1 4.41Å; R853-L857 PolarHBondContact O-N 3.34Å; R853-L857 VanDerWaalsContact O-N 3.15Å; R853-E858 HydrophobicContact CG-CG 4.13Å; R853-E858 IonicContact CZ-OE1 2.79Å; R853-E858 IonicContact NE-OE1 3.97Å; R853-E858 PolarHBondContact NE-OE1 2.76Å; R853-E858 IonicContact NH2-OE1 3.44Å; R853-E858 PolarHBondContact NH2-OE1 3.4Å; R853-E858 PolarHBondContact O-N 3.11Å; R853-W891 HydrophobicContact CB-CH2 3.83Å; R853-W891 HydrophobicContact CB-CZ2 3.96Å; R853-W891 HydrophobicContact CB-CZ3 4.33Å; R853-W891 HydrophobicContact CG-CZ2 4.35Å
854	K	86.2	Confident	86.8	Confident	113 Å²	113	45.8 Å²	45.8	49%	0.491	24%	0.244	S	C	.	.	I	π-helix	trans	-61.4	-48.3	-179.1	-60.4	163.9	-162.8	160.7	0	110.9	T850 D851	T850-K854 WeakPolarHBondContact O-CE 3.35Å; T850-K854 WeakPolarHBondContact O-CG 3.35Å; D851-K854 PolarHBondContact O-N 3.04Å; D851-K854 VanDerWaalsContact O-N 3.11Å; D851-K854 IonicContact OD1-NZ 2.99Å; D851-K854 PolarHBondContact OD1-NZ 3.26Å
855	S	84.6	Confident	87	Confident	27 Å²	27	44.9 Å²	44.9	19%	0.189	24%	0.236	C	C	.	.	I	π-helix	trans	-77.1	-32.5	-169.8	-63.7	0	0	0	0	113.8	D851 T859 V942	D851-S855 WeakPolarHBondContact O-CB 3.47Å; D851-S855 PolarHBondContact O-N 3.16Å; D851-S855 PolarHBondContact O-OG 3.43Å; S855-T859 WeakPolarHBondContact O-CG2 3.5Å; S855-T859 PolarHBondContact O-OG1 3.45Å; S855-V942 PolarHBondContact OG-O 3.05Å
856	Y	85.6	Confident	86.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.008	24%	0.239	C	C	.	.	I	π-helix	trans	-127.7	-40	-174.4	-50.4	-48.9	0	0	0	116	L833 F852 T859 G860 E861 V942 N943 M946 L947	L833-Y856 HydrophobicContact CD1-CE2 4.43Å; F852-Y856 AromaticContact CD2-CD2 3.47Å; F852-Y856 HydrophobicContact CD2-CD2 3.47Å; F852-Y856 VanDerWaalsContact CD2-CD2 3.47Å; F852-Y856 AromaticContact CD2-CE2 3.99Å; F852-Y856 HydrophobicContact CD2-CE2 3.99Å; F852-Y856 AromaticContact CE2-CD2 3.5Å; F852-Y856 HydrophobicContact CE2-CD2 3.5Å; F852-Y856 HydrophobicContact CE2-CE2 4.21Å; F852-Y856 HydrophobicContact CE2-CG 4.45Å; F852-Y856 HydrophobicContact CG-CD2 4.37Å; F852-Y856 HydrophobicContact CZ-CD2 4.46Å; F852-Y856 PolarHBondContact O-N 2.87Å; Y856-T859 WeakPolarHBondContact CA-OG1 3.38Å; Y856-T859 PolarHBondContact O-OG1 2.97Å; Y856-G860 PolarHBondContact O-N 2.92Å; Y856-E861 HydrophobicContact CD1-CB 4.09Å; Y856-E861 HydrophobicContact CD1-CG 4.15Å; Y856-E861 HydrophobicContact CG-CB 4.43Å; Y856-E861 PolarHBondContact O-N 3.35Å; Y856-V942 HydrophobicContact CD2-CG1 3.93Å; Y856-V942 HydrophobicContact CE1-CG1 4.41Å; Y856-V942 HydrophobicContact CE2-CG1 3.23Å; Y856-N943 PolarHBondContact OH-O 2.89Å; Y856-M946 VanDerWaalsContact OH-CE 3.29Å; Y856-M946 WeakPolarHBondContact OH-CE 3.39Å; Y856-L947 HydrophobicContact CD1-CD1 3.84Å; Y856-L947 HydrophobicContact CD2-CD1 4.3Å; Y856-L947 HydrophobicContact CE1-CD1 3.52Å; Y856-L947 HydrophobicContact CE1-CG 3.9Å; Y856-L947 HydrophobicContact CE2-CD1 3.98Å; Y856-L947 HydrophobicContact CE2-CG 4.27Å; Y856-L947 HydrophobicContact CG-CD1 4.22Å
857	L	82.3	Confident	86.9	Confident	38 Å²	38	42.4 Å²	42.4	20%	0.199	22%	0.219	C	C	.	.	I	π-helix	trans	-72.3	-36.5	-177.9	-66.6	-178.7	0	0	0	112.3	F852 R853 W891 L895 V904	F852-L857 HydrophobicContact CD1-CD1 4.07Å; F852-L857 HydrophobicContact CD1-CG 4.02Å; F852-L857 HydrophobicContact CE1-CD1 3.77Å; F852-L857 HydrophobicContact CE1-CD2 3.72Å; F852-L857 HydrophobicContact CE1-CG 3.51Å; F852-L857 HydrophobicContact CZ-CD2 4.17Å; F852-L857 HydrophobicContact CZ-CG 4.29Å; F852-L857 PolarHBondContact O-N 3.18Å; R853-L857 HydrophobicContact CB-CD1 4.28Å; R853-L857 HydrophobicContact CG-CB 4.41Å; R853-L857 HydrophobicContact CG-CD1 4.41Å; R853-L857 PolarHBondContact O-N 3.34Å; R853-L857 VanDerWaalsContact O-N 3.15Å; L857-W891 HydrophobicContact CD1-CD2 4.07Å; L857-W891 HydrophobicContact CD1-CE3 3.49Å; L857-W891 VanDerWaalsContact CD1-CE3 3.49Å; L857-W891 HydrophobicContact CD1-CZ3 3.91Å; L857-L895 HydrophobicContact CD2-CD1 4.33Å; L857-V904 HydrophobicContact CD1-CG2 4.4Å; L857-V904 HydrophobicContact CD2-CG2 4.09Å
858	E	81.7	Confident	86.8	Confident	112 Å²	112	38.2 Å²	38.2	52%	0.523	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-26.1	-178	-66.9	-179.9	157.2	0	0	112.5	R853	R853-E858 HydrophobicContact CG-CG 4.13Å; R853-E858 IonicContact CZ-OE1 2.79Å; R853-E858 IonicContact NE-OE1 3.97Å; R853-E858 PolarHBondContact NE-OE1 2.76Å; R853-E858 IonicContact NH2-OE1 3.44Å; R853-E858 PolarHBondContact NH2-OE1 3.4Å; R853-E858 PolarHBondContact O-N 3.11Å
859	T	82.4	Confident	86.6	Confident	90 Å²	90	38.2 Å²	38.2	55%	0.552	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-21.3	167.8	56.2	0	0	0	0	113	S855 Y856	S855-T859 WeakPolarHBondContact O-CG2 3.5Å; S855-T859 PolarHBondContact O-OG1 3.45Å; Y856-T859 WeakPolarHBondContact CA-OG1 3.38Å; Y856-T859 PolarHBondContact O-OG1 2.97Å
860	G	78.4	Confident	86.2	Confident	30 Å²	30	38.4 Å²	38.4	31%	0.309	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	23.7	178.6	0	0	0	0	0	114.7	Y856 R900	Y856-G860 PolarHBondContact O-N 2.92Å; G860-R900 PolarHBondContact O-NH1 2.8Å
861	E	81.6	Confident	85.6	Confident	68 Å²	68	35.5 Å²	35.5	32%	0.318	18%	0.182	S	C	.	.			trans	-56.7	153.2	179.9	-103.8	-67.1	166.6	0	0	114.1	Y856 C863 R951	Y856-E861 HydrophobicContact CD1-CB 4.09Å; Y856-E861 HydrophobicContact CD1-CG 4.15Å; Y856-E861 HydrophobicContact CG-CB 4.43Å; Y856-E861 PolarHBondContact O-N 3.35Å; E861-C863 VanDerWaalsContact C-N 3.29Å; E861-C863 PolarHBondContact O-N 3.35Å; E861-R951 IonicContact OE1-NH1 2.66Å; E861-R951 IonicContact OE2-CZ 3.9Å; E861-R951 IonicContact OE2-NH1 2.68Å; E861-R951 PolarHBondContact OE2-NH1 3.33Å; E861-R951 VanDerWaalsContact OE2-NH1 3.13Å; E861-R951 IonicContact OE2-NH2 2.72Å; E861-R951 PolarHBondContact OE2-NH2 3.27Å
862	N	84.3	Confident	84.8	Confident	61 Å²	61	39.4 Å²	39.4	33%	0.326	20%	0.197	S	C	.	.	S	Bend	trans	-82.3	73.8	-178.9	-168.9	10.9	0	0	0	111.5	A828 S830 V831 R951	A828-N862 PolarHBondContact O-ND2 3.35Å; S830-N862 WeakPolarHBondContact CA-O 3.41Å; S830-N862 VanDerWaalsContact CB-OD1 3.22Å; S830-N862 WeakPolarHBondContact CB-OD1 3.13Å; S830-N862 PolarHBondContact N-ND2 3.07Å; S830-N862 PolarHBondContact OG-OD1 3.49Å; V831-N862 PolarHBondContact N-O 3.21Å; N862-R951 PolarHBondContact O-NH2 3.11Å
863	C	88	Confident	83.5	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.6	173.2	68.3	0	0	0	0	111.8	V831 L833 E861 H903 L947	V831-C863 CarbonylContact O-C 3.6Å; V831-C863 VanDerWaalsContact O-CA 3.25Å; V831-C863 WeakPolarHBondContact O-CA 3.22Å; L833-C863 HydrophobicContact CD1-CB 4.26Å; E861-C863 VanDerWaalsContact C-N 3.29Å; E861-C863 PolarHBondContact O-N 3.35Å; C863-H903 PolarHBondContact O-ND1 3.07Å; C863-L947 HydrophobicContact CB-CD1 3.89Å
864	K	89.7	Confident	82.4	Confident	46 Å²	46	45 Å²	45	20%	0.2	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.1	168	-52.7	-178.2	-171.2	179.6	0	108.2	V831 T832 L833 H903 E931	V831-K864 PolarHBondContact O-N 3.37Å; T832-K864 CarbonylContact C-O 3.59Å; T832-K864 HydrophobicContact CG2-CB 4.41Å; L833-K864 WeakPolarHBondContact CB-O 3.33Å; L833-K864 PolarHBondContact N-O 3.08Å; K864-H903 CarbonylContact C-O 3.6Å; K864-H903 WeakPolarHBondContact CA-O 3.31Å; K864-E931 IonicContact NZ-OE1 2.7Å; K864-E931 PolarHBondContact NZ-OE1 3.04Å; K864-E931 IonicContact NZ-OE2 2.67Å
865	L	91.7	Very high	81.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.2	173.7	-179.7	66.2	0	0	0	110.6	L833 L835 F848 L849 F852 L888 H903 V905	L833-L865 HydrophobicContact CB-CD1 3.99Å; L835-L865 HydrophobicContact CB-CD1 4.19Å; F848-L865 HydrophobicContact CE1-CD1 4.24Å; L849-L865 HydrophobicContact CD2-CD2 3.56Å; F852-L865 HydrophobicContact CD1-CD2 3.76Å; F852-L865 HydrophobicContact CE1-CB 3.85Å; F852-L865 HydrophobicContact CE1-CD2 3.66Å; F852-L865 HydrophobicContact CE1-CG 4.33Å; F852-L865 HydrophobicContact CE2-CB 4.2Å; F852-L865 HydrophobicContact CG-CD2 4.26Å; F852-L865 HydrophobicContact CZ-CB 3.6Å; F852-L865 HydrophobicContact CZ-CD2 4.13Å; F852-L865 HydrophobicContact CZ-CG 4.35Å; L865-L888 HydrophobicContact CD2-CD2 4.4Å; L865-H903 PolarHBondContact N-O 2.9Å; L865-V905 PolarHBondContact O-N 3.36Å
866	V	90.4	Very high	80.8	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	105	173.6	-175.7	0	0	0	0	109	T832 L833 L835 L868 V905 F907 F923	T832-V866 HydrophobicContact CG2-CG2 3.92Å; L833-V866 PolarHBondContact O-N 3.16Å; L835-V866 PolarHBondContact N-O 3.07Å; V866-L868 HydrophobicContact CG1-CD2 3.74Å; V866-L868 HydrophobicContact CG1-CG 4.33Å; V866-V905 WeakPolarHBondContact CA-O 3.45Å; V866-F907 HydrophobicContact CG1-CD2 3.76Å; V866-F907 HydrophobicContact CG1-CE2 3.84Å; V866-F923 HydrophobicContact CB-CE2 4.22Å; V866-F923 HydrophobicContact CB-CZ 4.38Å; V866-F923 HydrophobicContact CG1-CD2 4.11Å; V866-F923 HydrophobicContact CG1-CE2 3.74Å; V866-F923 HydrophobicContact CG1-CZ 4.35Å; V866-F923 HydrophobicContact CG2-CE2 3.91Å; V866-F923 HydrophobicContact CG2-CZ 3.96Å
867	A	89.7	Confident	80.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.3	175.3	0	0	0	0	0	110.5	L835 L869 L888 V905 Y906 F907	L835-A867 WeakPolarHBondContact O-CA 3.33Å; A867-L869 HydrophobicContact CB-CD2 4.44Å; A867-L888 HydrophobicContact CB-CD1 3.67Å; A867-V905 PolarHBondContact N-O 3.29Å; A867-Y906 CarbonylContact O-C 3.59Å; A867-Y906 WeakPolarHBondContact O-CA 3.46Å; A867-Y906 WeakPolarHBondContact O-CB 3.48Å; A867-F907 PolarHBondContact O-N 2.8Å
868	L	88.1	Confident	79.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	95.4	179	-58.1	-175.8	0	0	0	108.5	V834 L835 P836 V837 V866 L870 F907 L909 V919 F923	V834-L868 HydrophobicContact CG1-CD1 3.5Å; V834-L868 HydrophobicContact CG1-CG 4.15Å; L835-L868 PolarHBondContact O-N 2.82Å; P836-L868 WeakPolarHBondContact CA-O 3.48Å; V837-L868 PolarHBondContact N-O 3.04Å; V866-L868 HydrophobicContact CG1-CD2 3.74Å; V866-L868 HydrophobicContact CG1-CG 4.33Å; L868-L870 HydrophobicContact CB-CD2 4.35Å; L868-L870 PolarHBondContact O-N 2.96Å; L868-F907 HydrophobicContact CD2-CB 3.89Å; L868-F907 HydrophobicContact CD2-CD2 3.71Å; L868-F907 HydrophobicContact CD2-CG 4.27Å; L868-L909 HydrophobicContact CB-CD1 4.29Å; L868-L909 HydrophobicContact CD2-CD1 4.4Å; L868-V919 HydrophobicContact CB-CG1 4.24Å; L868-V919 HydrophobicContact CD1-CG1 3.41Å; L868-V919 VanDerWaalsContact CD1-CG1 3.41Å; L868-V919 HydrophobicContact CG-CG1 4.43Å; L868-F923 HydrophobicContact CD1-CB 4.38Å
869	L	87.1	Confident	79.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	105.8	-176.3	-53	177.9	0	0	0	108.4	V837 A867 F881 I884 M885 Y906 F907 T908 L909	V837-L869 HydrophobicContact CB-CD2 4.11Å; V837-L869 HydrophobicContact CG2-CD2 4.26Å; A867-L869 HydrophobicContact CB-CD2 4.44Å; L869-F881 HydrophobicContact CB-CD1 4.29Å; L869-F881 HydrophobicContact CB-CE1 4.42Å; L869-F881 HydrophobicContact CD2-CD1 3.99Å; L869-F881 HydrophobicContact CD2-CE1 4.29Å; L869-I884 HydrophobicContact CD2-CG2 3.97Å; L869-M885 HydrophobicContact CD1-CE 3.74Å; L869-M885 HydrophobicContact CD1-CG 3.66Å; L869-M885 HydrophobicContact CD1-SD 4.47Å; L869-Y906 HydrophobicContact CD1-CD2 3.91Å; L869-F907 PolarHBondContact N-O 3.17Å; L869-T908 HydrophobicContact CB-CG2 4.41Å; L869-T908 HydrophobicContact CD1-CG2 4.32Å; L869-L909 PolarHBondContact O-N 2.92Å
870	L	83.6	Confident	79.6	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.4	-172.5	-53.3	-172.1	0	0	0	109.7	P836 V837 L868 L909 V911 V919	P836-L870 HydrophobicContact CB-CD1 4.15Å; V837-L870 PolarHBondContact O-N 3.1Å; L868-L870 HydrophobicContact CB-CD2 4.35Å; L868-L870 PolarHBondContact O-N 2.96Å; L870-L909 HydrophobicContact CD2-CB 4.06Å; L870-L909 HydrophobicContact CD2-CD1 3.93Å; L870-L909 HydrophobicContact CD2-CG 4.4Å; L870-V911 HydrophobicContact CD2-CG2 4.23Å; L870-V919 HydrophobicContact CD1-CG2 4.34Å; L870-V919 HydrophobicContact CD2-CG1 4.07Å; L870-V919 HydrophobicContact CD2-CG2 3.69Å
871	M	76.8	Confident	79.9	Confident	11 Å²	11	47.3 Å²	47.3	5%	0.054	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143	-176.9	-59.4	179.8	-54.5	0	0	111.2	E877 Y878 F881 T908 L909 K910 V911	M871-E877 WeakPolarHBondContact CA-OE2 3.49Å; M871-E877 WeakPolarHBondContact CB-OE2 3.5Å; M871-Y878 HydrophobicContact CE-CD2 4.35Å; M871-Y878 HydrophobicContact SD-CD2 4.06Å; M871-F881 HydrophobicContact CG-CD2 3.69Å; M871-F881 HydrophobicContact CG-CE2 3.54Å; M871-F881 HydrophobicContact CG-CZ 4.46Å; M871-F881 HydrophobicContact SD-CD2 3.99Å; M871-F881 HydrophobicContact SD-CE2 4.45Å; M871-T908 HydrophobicContact CE-CG2 3.7Å; M871-T908 HydrophobicContact SD-CG2 4.3Å; M871-L909 PolarHBondContact N-O 3.09Å; M871-K910 WeakPolarHBondContact O-CA 3.23Å; M871-V911 PolarHBondContact O-N 3.45Å
872	K	72.4	Confident	80	Confident	112 Å²	112	50.2 Å²	50.2	49%	0.487	26%	0.26	S	S	.	.			trans	-75.1	-172.3	155.4	-61.1	161.8	-171.3	160.7	0	107.5	D874 E877 H914	K872-D874 VanDerWaalsContact C-N 3.31Å; K872-D874 PolarHBondContact O-N 3.34Å; K872-E877 WeakPolarHBondContact CB-OE1 3.45Å; K872-E877 PolarHBondContact N-OE2 3.01Å; K872-H914 WeakPolarHBondContact CE-NE2 3.39Å
873	H	60.9	Low	80	Confident	113 Å²	113	50.8 Å²	50.8	52%	0.523	27%	0.267	S	S	.	.	S	Bend	trans	-83.4	0.5	-161.5	-117.6	-114.2	0	0	0	116
874	D	64.8	Low	79.9	Confident	99 Å²	99	50.9 Å²	50.9	53%	0.529	27%	0.267	S	S	.	.			trans	-94.1	142.6	-161.8	-59.8	-39.3	0	0	0	114.8	K872 T876 E877	K872-D874 VanDerWaalsContact C-N 3.31Å; K872-D874 PolarHBondContact O-N 3.34Å; D874-T876 WeakPolarHBondContact CB-OG1 3.32Å; D874-T876 PolarHBondContact O-N 2.84Å; D874-E877 PolarHBondContact O-N 3.39Å
875	A	65.8	Low	79.8	Confident	90 Å²	90	49 Å²	49	74%	0.744	26%	0.259	S	S	*	.	H	α-helix	trans	-68.3	-17	178.5	0	0	0	0	0	113.4
876	T	71.9	Confident	79.6	Confident	98 Å²	98	54.5 Å²	54.5	60%	0.601	29%	0.285	S	S	*	.	H	α-helix	trans	-68.4	-46.3	174.4	43.9	0	0	0	0	111.8	D874 Y878 A879 L880	D874-T876 WeakPolarHBondContact CB-OG1 3.32Å; D874-T876 PolarHBondContact O-N 2.84Å; T876-Y878 VanDerWaalsContact C-N 3.29Å; T876-Y878 PolarHBondContact O-N 3.36Å; T876-A879 WeakPolarHBondContact O-CA 3.25Å; T876-A879 VanDerWaalsContact O-CB 3.29Å; T876-A879 WeakPolarHBondContact O-CB 3.2Å; T876-A879 PolarHBondContact O-N 2.93Å; T876-L880 PolarHBondContact O-N 2.89Å
877	E	72.7	Confident	79.4	Confident	20 Å²	20	56.6 Å²	56.6	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-38.7	177.9	-65	-171.3	173.8	0	0	111.7	V839 M871 K872 D874 A879 L880 F881	V839-E877 HydrophobicContact CG2-CB 4.34Å; V839-E877 HydrophobicContact CG2-CG 3.83Å; M871-E877 WeakPolarHBondContact CA-OE2 3.49Å; M871-E877 WeakPolarHBondContact CB-OE2 3.5Å; K872-E877 WeakPolarHBondContact CB-OE1 3.45Å; K872-E877 PolarHBondContact N-OE2 3.01Å; D874-E877 PolarHBondContact O-N 3.39Å; E877-A879 PolarHBondContact O-N 2.77Å; E877-L880 WeakPolarHBondContact O-CA 3.5Å; E877-L880 WeakPolarHBondContact O-CB 3.33Å; E877-L880 PolarHBondContact O-N 2.76Å; E877-F881 HydrophobicContact CB-CD2 4.44Å; E877-F881 HydrophobicContact CB-CE2 4.4Å; E877-F881 VanDerWaalsContact O-CD2 3.27Å; E877-F881 WeakPolarHBondContact O-CD2 3.5Å; E877-F881 PolarHBondContact O-N 3.47Å
878	Y	75.7	Confident	79.1	Confident	121 Å²	121	56.7 Å²	56.7	48%	0.475	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-24.2	174.8	-167.9	-90.3	0	0	0	113.1	M871 T876 M885 T908	M871-Y878 HydrophobicContact CE-CD2 4.35Å; M871-Y878 HydrophobicContact SD-CD2 4.06Å; T876-Y878 VanDerWaalsContact C-N 3.29Å; T876-Y878 PolarHBondContact O-N 3.36Å; Y878-M885 HydrophobicContact CD2-CE 3.8Å; Y878-M885 HydrophobicContact CE2-CE 3.59Å; Y878-M885 HydrophobicContact CE2-SD 3.83Å; Y878-T908 HydrophobicContact CE2-CG2 4.49Å
879	A	77.5	Confident	79.1	Confident	39 Å²	39	58.7 Å²	58.7	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-76.3	-35.8	170.5	0	0	0	0	0	112.4	T876 E877 R882	T876-A879 WeakPolarHBondContact O-CA 3.25Å; T876-A879 VanDerWaalsContact O-CB 3.29Å; T876-A879 WeakPolarHBondContact O-CB 3.2Å; T876-A879 PolarHBondContact O-N 2.93Å; E877-A879 PolarHBondContact O-N 2.77Å; A879-R882 WeakPolarHBondContact O-CB 3.49Å; A879-R882 PolarHBondContact O-N 2.79Å
880	L	80.6	Confident	79.1	Confident	94 Å²	94	62.1 Å²	62.1	49%	0.492	33%	0.33	S	S	.	.	H	α-helix	trans	-68.6	-42.7	177	-60.5	177	0	0	0	112.2	V839 I842 T876 E877 R882 P883	V839-L880 HydrophobicContact CG1-CD1 3.66Å; I842-L880 HydrophobicContact CD1-CB 3.74Å; T876-L880 PolarHBondContact O-N 2.89Å; E877-L880 WeakPolarHBondContact O-CA 3.5Å; E877-L880 WeakPolarHBondContact O-CB 3.33Å; E877-L880 PolarHBondContact O-N 2.76Å; L880-R882 PolarHBondContact O-N 3.15Å; L880-P883 WeakPolarHBondContact O-CD 3.47Å
881	F	83.8	Confident	79	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.2	176.6	-73.4	-71.1	0	0	0	114.3	V837 T838 V839 I842 L869 M871 E877 P883 I884 M885	V837-F881 HydrophobicContact CB-CE1 4.4Å; V837-F881 HydrophobicContact CG1-CE1 4.06Å; T838-F881 WeakPolarHBondContact O-CE1 3.42Å; T838-F881 WeakPolarHBondContact O-CZ 3.27Å; V839-F881 HydrophobicContact CG2-CE2 3.85Å; V839-F881 HydrophobicContact CG2-CZ 4.09Å; I842-F881 HydrophobicContact CD1-CD1 3.83Å; I842-F881 HydrophobicContact CD1-CD2 4.45Å; I842-F881 HydrophobicContact CD1-CE1 3.86Å; I842-F881 HydrophobicContact CD1-CE2 4.45Å; I842-F881 HydrophobicContact CD1-CG 4.15Å; I842-F881 HydrophobicContact CD1-CZ 4.19Å; I842-F881 HydrophobicContact CG1-CD1 3.93Å; I842-F881 HydrophobicContact CG1-CE1 3.77Å; I842-F881 HydrophobicContact CG1-CZ 4.42Å; L869-F881 HydrophobicContact CB-CD1 4.29Å; L869-F881 HydrophobicContact CB-CE1 4.42Å; L869-F881 HydrophobicContact CD2-CD1 3.99Å; L869-F881 HydrophobicContact CD2-CE1 4.29Å; M871-F881 HydrophobicContact CG-CD2 3.69Å; M871-F881 HydrophobicContact CG-CE2 3.54Å; M871-F881 HydrophobicContact CG-CZ 4.46Å; M871-F881 HydrophobicContact SD-CD2 3.99Å; M871-F881 HydrophobicContact SD-CE2 4.45Å; E877-F881 HydrophobicContact CB-CD2 4.44Å; E877-F881 HydrophobicContact CB-CE2 4.4Å; E877-F881 VanDerWaalsContact O-CD2 3.27Å; E877-F881 WeakPolarHBondContact O-CD2 3.5Å; E877-F881 PolarHBondContact O-N 3.47Å; F881-P883 VanDerWaalsContact C-CD 3.49Å; F881-I884 PolarHBondContact O-N 2.98Å; F881-M885 HydrophobicContact CB-CE 3.74Å; F881-M885 WeakPolarHBondContact O-CG 3.45Å; F881-M885 PolarHBondContact O-N 2.82Å
882	R	83.5	Confident	79.3	Confident	129 Å²	129	66.3 Å²	66.3	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-55.8	-42.4	-175.6	-169.4	-173.9	-60.2	154.8	2.4	114.4	A879 L880 I884 M885 Q886	A879-R882 WeakPolarHBondContact O-CB 3.49Å; A879-R882 PolarHBondContact O-N 2.79Å; L880-R882 PolarHBondContact O-N 3.15Å; R882-I884 PolarHBondContact O-N 3.36Å; R882-M885 PolarHBondContact O-N 2.74Å; R882-Q886 HydrophobicContact CG-CG 4.35Å; R882-Q886 WeakPolarHBondContact O-CB 3.14Å; R882-Q886 VanDerWaalsContact O-CG 3.29Å; R882-Q886 WeakPolarHBondContact O-CG 3.34Å; R882-Q886 PolarHBondContact O-N 2.96Å
883	P	85.4	Confident	79.7	Confident	72 Å²	72	66 Å²	66	47%	0.468	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-37.3	179.9	-20.8	34.9	0	0	0	112.6	L880 F881 Q886 T887	L880-P883 WeakPolarHBondContact O-CD 3.47Å; F881-P883 VanDerWaalsContact C-CD 3.49Å; P883-Q886 PolarHBondContact O-N 2.86Å; P883-T887 WeakPolarHBondContact O-CB 3.39Å; P883-T887 PolarHBondContact O-N 3.16Å; P883-T887 PolarHBondContact O-OG1 3.02Å
884	I	86	Confident	80.6	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-49.2	174.6	-65.4	176.4	0	0	0	109.6	V837 I842 A845 L849 L869 F881 R882 Q886 T887 L888	V837-I884 HydrophobicContact CG1-CD1 4.23Å; I842-I884 HydrophobicContact CB-CD1 4.35Å; I842-I884 HydrophobicContact CG1-CD1 4.24Å; I842-I884 HydrophobicContact CG2-CD1 4.06Å; A845-I884 HydrophobicContact CB-CD1 4.07Å; L849-I884 HydrophobicContact CD1-CG1 4.5Å; L849-I884 HydrophobicContact CD1-CG2 3.97Å; L869-I884 HydrophobicContact CD2-CG2 3.97Å; F881-I884 PolarHBondContact O-N 2.98Å; R882-I884 PolarHBondContact O-N 3.36Å; I884-Q886 VanDerWaalsContact C-N 3.31Å; I884-Q886 PolarHBondContact O-N 3.37Å; I884-T887 PolarHBondContact O-N 3.46Å; I884-L888 HydrophobicContact CG2-CD1 3.76Å; I884-L888 HydrophobicContact CG2-CG 4.37Å; I884-L888 WeakPolarHBondContact O-CG 3.15Å; I884-L888 PolarHBondContact O-N 3.26Å
885	M	86.5	Confident	81.2	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.039	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-40.2	176.3	-65.9	-172.2	-159.7	0	0	112.4	L869 Y878 F881 R882 N889 Y906 T908	L869-M885 HydrophobicContact CD1-CE 3.74Å; L869-M885 HydrophobicContact CD1-CG 3.66Å; L869-M885 HydrophobicContact CD1-SD 4.47Å; Y878-M885 HydrophobicContact CD2-CE 3.8Å; Y878-M885 HydrophobicContact CE2-CE 3.59Å; Y878-M885 HydrophobicContact CE2-SD 3.83Å; F881-M885 HydrophobicContact CB-CE 3.74Å; F881-M885 WeakPolarHBondContact O-CG 3.45Å; F881-M885 PolarHBondContact O-N 2.82Å; R882-M885 PolarHBondContact O-N 2.74Å; M885-N889 WeakPolarHBondContact O-CB 3.44Å; M885-N889 PolarHBondContact O-N 2.95Å; M885-N889 PolarHBondContact O-ND2 3.4Å; M885-Y906 HydrophobicContact CB-CE2 4.46Å; M885-Y906 HydrophobicContact CG-CD2 4.36Å; M885-Y906 HydrophobicContact CG-CE2 3.95Å; M885-Y906 HydrophobicContact SD-CE2 4.13Å; M885-T908 HydrophobicContact CE-CG2 3.46Å; M885-T908 VanDerWaalsContact CE-CG2 3.46Å; M885-T908 HydrophobicContact SD-CG2 4.44Å
886	Q	87.5	Confident	81.5	Confident	116 Å²	116	66.2 Å²	66.2	54%	0.542	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-48	176.8	-77	172.5	-26.3	0	0	111.3	R882 P883 I884 L888 N889 V890	R882-Q886 HydrophobicContact CG-CG 4.35Å; R882-Q886 WeakPolarHBondContact O-CB 3.14Å; R882-Q886 VanDerWaalsContact O-CG 3.29Å; R882-Q886 WeakPolarHBondContact O-CG 3.34Å; R882-Q886 PolarHBondContact O-N 2.96Å; P883-Q886 PolarHBondContact O-N 2.86Å; I884-Q886 VanDerWaalsContact C-N 3.31Å; I884-Q886 PolarHBondContact O-N 3.37Å; Q886-L888 PolarHBondContact O-N 3.01Å; Q886-N889 PolarHBondContact O-N 3.29Å; Q886-V890 WeakPolarHBondContact O-CG2 3.44Å; Q886-V890 PolarHBondContact O-N 3.48Å
887	T	86.1	Confident	81.2	Confident	53 Å²	53	66.9 Å²	66.9	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-56.3	-51.4	177.4	-61.1	0	0	0	0	111.7	P883 I884 N889 V890 W891	P883-T887 WeakPolarHBondContact O-CB 3.39Å; P883-T887 PolarHBondContact O-N 3.16Å; P883-T887 PolarHBondContact O-OG1 3.02Å; I884-T887 PolarHBondContact O-N 3.46Å; T887-N889 VanDerWaalsContact C-N 3.35Å; T887-N889 PolarHBondContact O-N 3.23Å; T887-V890 PolarHBondContact O-N 3.44Å; T887-W891 HydrophobicContact CG2-CD2 4.19Å; T887-W891 HydrophobicContact CG2-CH2 3.92Å; T887-W891 HydrophobicContact CG2-CZ2 3.38Å; T887-W891 PolarHBondContact O-N 3.02Å
888	L	85.3	Confident	80.9	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-64.8	-36.4	179.2	-65.7	173.5	0	0	0	112.3	L849 L865 A867 I884 Q886 W891 R892 V904 Y906	L849-L888 HydrophobicContact CD2-CD2 3.77Å; L865-L888 HydrophobicContact CD2-CD2 4.4Å; A867-L888 HydrophobicContact CB-CD1 3.67Å; I884-L888 HydrophobicContact CG2-CD1 3.76Å; I884-L888 HydrophobicContact CG2-CG 4.37Å; I884-L888 WeakPolarHBondContact O-CG 3.15Å; I884-L888 PolarHBondContact O-N 3.26Å; Q886-L888 PolarHBondContact O-N 3.01Å; L888-W891 HydrophobicContact CD2-CE3 4.26Å; L888-W891 HydrophobicContact CD2-CZ3 4.39Å; L888-W891 PolarHBondContact O-N 3.38Å; L888-R892 VanDerWaalsContact O-CB 3.25Å; L888-R892 WeakPolarHBondContact O-CB 3.43Å; L888-R892 PolarHBondContact O-N 3.19Å; L888-V904 HydrophobicContact CB-CG1 4.38Å; L888-V904 HydrophobicContact CD2-CG1 3.74Å; L888-Y906 HydrophobicContact CB-CD1 4.16Å; L888-Y906 HydrophobicContact CD1-CD1 4.45Å; L888-Y906 HydrophobicContact CD1-CG 4.39Å
889	N	86.5	Confident	80.4	Confident	42 Å²	42	68.1 Å²	68.1	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-67.2	-40.5	173.5	-84.4	-63.8	0	0	0	112.8	M885 Q886 T887 W891 R892 L893 Y906	M885-N889 WeakPolarHBondContact O-CB 3.44Å; M885-N889 PolarHBondContact O-N 2.95Å; M885-N889 PolarHBondContact O-ND2 3.4Å; Q886-N889 PolarHBondContact O-N 3.29Å; T887-N889 VanDerWaalsContact C-N 3.35Å; T887-N889 PolarHBondContact O-N 3.23Å; N889-W891 VanDerWaalsContact C-N 3.33Å; N889-W891 PolarHBondContact O-N 2.85Å; N889-R892 PolarHBondContact O-N 3.16Å; N889-R892 PolarHBondContact OD1-NH2 3.2Å; N889-L893 WeakPolarHBondContact O-CB 3.18Å; N889-L893 VanDerWaalsContact O-CG 3.28Å; N889-L893 WeakPolarHBondContact O-CG 3.48Å; N889-L893 PolarHBondContact O-N 3.17Å; N889-Y906 WeakPolarHBondContact ND2-CE1 3.4Å; N889-Y906 PolarHBondContact ND2-OH 3.45Å
890	V	86.8	Confident	79.8	Confident	72 Å²	72	70.9 Å²	70.9	44%	0.436	36%	0.364	S	S	.	.	H	α-helix	trans	-62.2	-41.6	175.5	169	0	0	0	0	110.8	Q886 T887 L893 K894	Q886-V890 WeakPolarHBondContact O-CG2 3.44Å; Q886-V890 PolarHBondContact O-N 3.48Å; T887-V890 PolarHBondContact O-N 3.44Å; V890-L893 PolarHBondContact O-N 2.9Å; V890-K894 WeakPolarHBondContact O-CG 3.16Å; V890-K894 PolarHBondContact O-N 3.42Å
891	W	83.1	Confident	78.8	Confident	22 Å²	22	68 Å²	68	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-69.9	-43.5	177.2	-61.2	-4.1	0	0	0	112.2	L849 F852 R853 L857 T887 L888 N889 L893 K894 L895	L849-W891 HydrophobicContact CB-CH2 3.81Å; L849-W891 HydrophobicContact CB-CZ3 4.3Å; L849-W891 HydrophobicContact CD2-CH2 4.24Å; L849-W891 HydrophobicContact CD2-CZ3 3.86Å; L849-W891 WeakPolarHBondContact O-CH2 3.38Å; F852-W891 HydrophobicContact CD1-CZ3 4.33Å; R853-W891 HydrophobicContact CB-CH2 3.83Å; R853-W891 HydrophobicContact CB-CZ2 3.96Å; R853-W891 HydrophobicContact CB-CZ3 4.33Å; R853-W891 HydrophobicContact CG-CZ2 4.35Å; L857-W891 HydrophobicContact CD1-CD2 4.07Å; L857-W891 HydrophobicContact CD1-CE3 3.49Å; L857-W891 VanDerWaalsContact CD1-CE3 3.49Å; L857-W891 HydrophobicContact CD1-CZ3 3.91Å; T887-W891 HydrophobicContact CG2-CD2 4.19Å; T887-W891 HydrophobicContact CG2-CH2 3.92Å; T887-W891 HydrophobicContact CG2-CZ2 3.38Å; T887-W891 PolarHBondContact O-N 3.02Å; L888-W891 HydrophobicContact CD2-CE3 4.26Å; L888-W891 HydrophobicContact CD2-CZ3 4.39Å; L888-W891 PolarHBondContact O-N 3.38Å; N889-W891 VanDerWaalsContact C-N 3.33Å; N889-W891 PolarHBondContact O-N 2.85Å; W891-L893 PolarHBondContact O-N 3.33Å; W891-K894 PolarHBondContact O-N 2.91Å; W891-K894 VanDerWaalsContact O-N 3.12Å; W891-L895 WeakPolarHBondContact O-CB 3.41Å; W891-L895 WeakPolarHBondContact O-CG 3.32Å; W891-L895 PolarHBondContact O-N 3.11Å
892	R	81.9	Confident	77.9	Confident	87 Å²	87	75 Å²	75	33%	0.328	38%	0.384	S	S	.	.	H	α-helix	trans	-58.8	-35.8	174	-173.4	172.3	65.6	148.3	-3.8	112.1	L888 N889 R896 S901 V904	L888-R892 VanDerWaalsContact O-CB 3.25Å; L888-R892 WeakPolarHBondContact O-CB 3.43Å; L888-R892 PolarHBondContact O-N 3.19Å; N889-R892 PolarHBondContact O-N 3.16Å; N889-R892 PolarHBondContact OD1-NH2 3.2Å; R892-R896 WeakPolarHBondContact O-CG 3.48Å; R892-R896 PolarHBondContact O-N 3.37Å; R892-S901 WeakPolarHBondContact O-CB 3.49Å; R892-V904 WeakPolarHBondContact CD-O 3.32Å
893	L	82.2	Confident	77.7	Confident	104 Å²	104	70.8 Å²	70.8	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-68.6	-45.3	172.5	-75.6	168.4	0	0	0	112.2	N889 V890 W891 L895 R896	N889-L893 WeakPolarHBondContact O-CB 3.18Å; N889-L893 VanDerWaalsContact O-CG 3.28Å; N889-L893 WeakPolarHBondContact O-CG 3.48Å; N889-L893 PolarHBondContact O-N 3.17Å; V890-L893 PolarHBondContact O-N 2.9Å; W891-L893 PolarHBondContact O-N 3.33Å; L893-L895 PolarHBondContact O-N 3.1Å; L893-R896 WeakPolarHBondContact O-CB 3.45Å; L893-R896 PolarHBondContact O-N 3.42Å
894	K	79.2	Confident	77.6	Confident	132 Å²	132	67.4 Å²	67.4	57%	0.574	35%	0.348	S	S	*	.	H	α-helix	trans	-60.2	-44.6	175.4	-74.6	-177.5	176.6	-169.7	0	112	V890 W891 R896 S897	V890-K894 WeakPolarHBondContact O-CG 3.16Å; V890-K894 PolarHBondContact O-N 3.42Å; W891-K894 PolarHBondContact O-N 2.91Å; W891-K894 VanDerWaalsContact O-N 3.12Å; K894-R896 PolarHBondContact O-N 3.01Å; K894-S897 PolarHBondContact O-N 3.03Å; K894-S897 PolarHBondContact O-OG 3.48Å
895	L	76.5	Confident	77.5	Confident	23 Å²	23	69.1 Å²	69.1	12%	0.12	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.1	-179.6	-68.6	167.8	0	0	0	114.2	L857 W891 L893 T898 A899 R900 S901 V904	L857-L895 HydrophobicContact CD2-CD1 4.33Å; W891-L895 WeakPolarHBondContact O-CB 3.41Å; W891-L895 WeakPolarHBondContact O-CG 3.32Å; W891-L895 PolarHBondContact O-N 3.11Å; L893-L895 PolarHBondContact O-N 3.1Å; L895-T898 PolarHBondContact O-N 3.17Å; L895-A899 PolarHBondContact O-N 2.75Å; L895-R900 HydrophobicContact CD2-CB 4.23Å; L895-R900 PolarHBondContact O-N 3.18Å; L895-R900 VanDerWaalsContact O-N 3.07Å; L895-S901 PolarHBondContact O-N 2.98Å; L895-V904 HydrophobicContact CD1-CB 4.16Å; L895-V904 HydrophobicContact CD1-CG2 3.49Å; L895-V904 VanDerWaalsContact CD1-CG2 3.49Å
896	R	71.8	Confident	77.6	Confident	152 Å²	152	71.3 Å²	71.3	57%	0.574	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-34.1	171.8	-78.9	177	176.1	-172.9	-3.6	112.5	R892 L893 K894 T898 A899	R892-R896 WeakPolarHBondContact O-CG 3.48Å; R892-R896 PolarHBondContact O-N 3.37Å; L893-R896 WeakPolarHBondContact O-CB 3.45Å; L893-R896 PolarHBondContact O-N 3.42Å; K894-R896 PolarHBondContact O-N 3.01Å; R896-T898 VanDerWaalsContact C-N 3.27Å; R896-T898 PolarHBondContact O-N 2.99Å; R896-A899 PolarHBondContact O-N 3.4Å
897	S	66.6	Low	77.4	Confident	113 Å²	113	68.7 Å²	68.7	79%	0.79	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.8	177.5	63.1	0	0	0	0	112	K894 A899	K894-S897 PolarHBondContact O-N 3.03Å; K894-S897 PolarHBondContact O-OG 3.48Å; S897-A899 VanDerWaalsContact C-N 3.3Å; S897-A899 PolarHBondContact O-N 3.26Å
898	T	65.9	Low	77.2	Confident	80 Å²	80	69.2 Å²	69.2	49%	0.491	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.7	177.5	-20	0	0	0	0	113.4	L895 R896 R900	L895-T898 PolarHBondContact O-N 3.17Å; R896-T898 VanDerWaalsContact C-N 3.27Å; R896-T898 PolarHBondContact O-N 2.99Å; T898-R900 HydrophobicContact CG2-CG 4.37Å; T898-R900 PolarHBondContact O-N 3.48Å
899	A	64.6	Low	76.9	Confident	87 Å²	87	69.7 Å²	69.7	72%	0.719	36%	0.359	S	S	*	.	S	Bend	trans	57	-4.9	-166.2	0	0	0	0	0	116.4	L895 R896 S897 S901	L895-A899 PolarHBondContact O-N 2.75Å; R896-A899 PolarHBondContact O-N 3.4Å; S897-A899 VanDerWaalsContact C-N 3.3Å; S897-A899 PolarHBondContact O-N 3.26Å; A899-S901 PolarHBondContact O-N 3.03Å; A899-S901 VanDerWaalsContact O-N 3.1Å
900	R	66.6	Low	76.3	Confident	97 Å²	97	74.1 Å²	74.1	37%	0.366	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-77.6	16.7	-179.2	-64.9	-176	-174.1	-157.1	2.8	114.5	G860 L895 T898 E902 H903	G860-R900 PolarHBondContact O-NH1 2.8Å; L895-R900 HydrophobicContact CD2-CB 4.23Å; L895-R900 PolarHBondContact O-N 3.18Å; L895-R900 VanDerWaalsContact O-N 3.07Å; T898-R900 HydrophobicContact CG2-CG 4.37Å; T898-R900 PolarHBondContact O-N 3.48Å; R900-E902 PolarHBondContact O-N 2.95Å; R900-E902 VanDerWaalsContact O-N 3.08Å; R900-H903 VanDerWaalsContact O-CB 3.28Å; R900-H903 WeakPolarHBondContact O-CB 3.43Å; R900-H903 PolarHBondContact O-CD2 3.32Å; R900-H903 VanDerWaalsContact O-CD2 3.27Å; R900-H903 PolarHBondContact O-N 3.04Å
901	S	59.6	Low	75.4	Confident	32 Å²	32	71.9 Å²	71.9	22%	0.224	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-65.5	-14.2	-174.3	70.5	0	0	0	0	115.2	R892 L895 A899 H903	R892-S901 WeakPolarHBondContact O-CB 3.49Å; L895-S901 PolarHBondContact O-N 2.98Å; A899-S901 PolarHBondContact O-N 3.03Å; A899-S901 VanDerWaalsContact O-N 3.1Å; S901-H903 VanDerWaalsContact C-N 3.29Å
902	E	64.1	Low	74.3	Confident	148 Å²	148	78 Å²	78	69%	0.692	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-76.8	-11.7	170.9	-58.6	-165.7	152.4	0	0	113.5	R900 V904	R900-E902 PolarHBondContact O-N 2.95Å; R900-E902 VanDerWaalsContact O-N 3.08Å; E902-V904 VanDerWaalsContact C-N 3.29Å; E902-V904 PolarHBondContact O-N 3.15Å
903	H	78.7	Confident	73.2	Confident	41 Å²	41	83.1 Å²	83.1	19%	0.19	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-77	-10.4	178.7	-69.5	-119.4	0	0	0	113.7	C863 K864 L865 R900 S901	C863-H903 PolarHBondContact O-ND1 3.07Å; K864-H903 CarbonylContact C-O 3.6Å; K864-H903 WeakPolarHBondContact CA-O 3.31Å; L865-H903 PolarHBondContact N-O 2.9Å; R900-H903 VanDerWaalsContact O-CB 3.28Å; R900-H903 WeakPolarHBondContact O-CB 3.43Å; R900-H903 PolarHBondContact O-CD2 3.32Å; R900-H903 VanDerWaalsContact O-CD2 3.27Å; R900-H903 PolarHBondContact O-N 3.04Å; S901-H903 VanDerWaalsContact C-N 3.29Å
904	V	83.5	Confident	72.2	Confident	1 Å²	1	82 Å²	82	1%	0.006	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	104.8	178.5	179.2	0	0	0	0	109.5	L857 L888 R892 L895 E902	L857-V904 HydrophobicContact CD1-CG2 4.4Å; L857-V904 HydrophobicContact CD2-CG2 4.09Å; L888-V904 HydrophobicContact CB-CG1 4.38Å; L888-V904 HydrophobicContact CD2-CG1 3.74Å; R892-V904 WeakPolarHBondContact CD-O 3.32Å; L895-V904 HydrophobicContact CD1-CB 4.16Å; L895-V904 HydrophobicContact CD1-CG2 3.49Å; L895-V904 VanDerWaalsContact CD1-CG2 3.49Å; E902-V904 VanDerWaalsContact C-N 3.29Å; E902-V904 PolarHBondContact O-N 3.15Å
905	V	85.6	Confident	71.7	Confident	41 Å²	41	78.3 Å²	78.3	25%	0.248	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.4	-177.5	-176.2	0	0	0	0	109.3	L865 V866 A867 F907	L865-V905 PolarHBondContact O-N 3.36Å; V866-V905 WeakPolarHBondContact CA-O 3.45Å; A867-V905 PolarHBondContact N-O 3.29Å; V905-F907 HydrophobicContact CG1-CD2 4.28Å; V905-F907 HydrophobicContact CG1-CE1 4.36Å; V905-F907 HydrophobicContact CG1-CE2 3.67Å; V905-F907 HydrophobicContact CG1-CZ 3.71Å
906	Y	86.7	Confident	71.7	Confident	53 Å²	53	80 Å²	80	21%	0.208	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.2	166.7	69.8	-84.4	0	0	0	110.8	A867 L869 M885 L888 N889	A867-Y906 CarbonylContact O-C 3.59Å; A867-Y906 WeakPolarHBondContact O-CA 3.46Å; A867-Y906 WeakPolarHBondContact O-CB 3.48Å; L869-Y906 HydrophobicContact CD1-CD2 3.91Å; M885-Y906 HydrophobicContact CB-CE2 4.46Å; M885-Y906 HydrophobicContact CG-CD2 4.36Å; M885-Y906 HydrophobicContact CG-CE2 3.95Å; M885-Y906 HydrophobicContact SD-CE2 4.13Å; L888-Y906 HydrophobicContact CB-CD1 4.16Å; L888-Y906 HydrophobicContact CD1-CD1 4.45Å; L888-Y906 HydrophobicContact CD1-CG 4.39Å; N889-Y906 WeakPolarHBondContact ND2-CE1 3.4Å; N889-Y906 PolarHBondContact ND2-OH 3.45Å
907	F	83.7	Confident	72	Confident	62 Å²	62	73.3 Å²	73.3	27%	0.272	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.6	172.5	-62.3	-76.6	0	0	0	109.5	V866 A867 L868 L869 V905 L909 F923	V866-F907 HydrophobicContact CG1-CD2 3.76Å; V866-F907 HydrophobicContact CG1-CE2 3.84Å; A867-F907 PolarHBondContact O-N 2.8Å; L868-F907 HydrophobicContact CD2-CB 3.89Å; L868-F907 HydrophobicContact CD2-CD2 3.71Å; L868-F907 HydrophobicContact CD2-CG 4.27Å; L869-F907 PolarHBondContact N-O 3.17Å; V905-F907 HydrophobicContact CG1-CD2 4.28Å; V905-F907 HydrophobicContact CG1-CE1 4.36Å; V905-F907 HydrophobicContact CG1-CE2 3.67Å; V905-F907 HydrophobicContact CG1-CZ 3.71Å; F907-L909 HydrophobicContact CB-CD2 4.12Å; F907-F923 HydrophobicContact CE2-CD2 4.36Å; F907-F923 HydrophobicContact CE2-CE2 4.47Å
908	T	82.2	Confident	72.5	Confident	63 Å²	63	70.5 Å²	70.5	39%	0.387	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.7	170.9	35.3	0	0	0	0	109.3	L869 M871 Y878 M885	L869-T908 HydrophobicContact CB-CG2 4.41Å; L869-T908 HydrophobicContact CD1-CG2 4.32Å; M871-T908 HydrophobicContact CE-CG2 3.7Å; M871-T908 HydrophobicContact SD-CG2 4.3Å; Y878-T908 HydrophobicContact CE2-CG2 4.49Å; M885-T908 HydrophobicContact CE-CG2 3.46Å; M885-T908 VanDerWaalsContact CE-CG2 3.46Å; M885-T908 HydrophobicContact SD-CG2 4.44Å
909	L	78.4	Confident	73.2	Confident	12 Å²	12	66.8 Å²	66.8	6%	0.063	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.9	-177.9	-54.6	-175.4	0	0	0	109.4	L868 L869 L870 M871 F907 V911 V919 F922	L868-L909 HydrophobicContact CB-CD1 4.29Å; L868-L909 HydrophobicContact CD2-CD1 4.4Å; L869-L909 PolarHBondContact O-N 2.92Å; L870-L909 HydrophobicContact CD2-CB 4.06Å; L870-L909 HydrophobicContact CD2-CD1 3.93Å; L870-L909 HydrophobicContact CD2-CG 4.4Å; M871-L909 PolarHBondContact N-O 3.09Å; F907-L909 HydrophobicContact CB-CD2 4.12Å; L909-V911 HydrophobicContact CB-CG2 3.67Å; L909-V911 PolarHBondContact O-N 3.02Å; L909-V919 HydrophobicContact CD1-CB 4.34Å; L909-V919 HydrophobicContact CD1-CG1 3.8Å; L909-V919 HydrophobicContact CD1-CG2 4.16Å; L909-F922 HydrophobicContact CD1-CD1 4.43Å; L909-F922 HydrophobicContact CD2-CD1 3.69Å; L909-F922 HydrophobicContact CD2-CE1 3.27Å; L909-F922 HydrophobicContact CD2-CE2 4.39Å; L909-F922 HydrophobicContact CD2-CG 4.41Å; L909-F922 HydrophobicContact CD2-CZ 3.64Å
910	K	74.9	Confident	74.2	Confident	134 Å²	134	62.7 Å²	62.7	58%	0.583	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	104.1	168.9	-64.4	-169.3	177.1	-163.6	0	108	M871	M871-K910 WeakPolarHBondContact O-CA 3.23Å
911	V	67.4	Low	75	Confident	26 Å²	26	59.3 Å²	59.3	16%	0.158	29%	0.291	C	S	.	.			trans	-125.2	115.1	-175.1	-144.4	0	0	0	0	109.9	L870 M871 L909 R913 V919	L870-V911 HydrophobicContact CD2-CG2 4.23Å; M871-V911 PolarHBondContact O-N 3.45Å; L909-V911 HydrophobicContact CB-CG2 3.67Å; L909-V911 PolarHBondContact O-N 3.02Å; V911-R913 WeakPolarHBondContact CG1-O 3.43Å; V911-R913 PolarHBondContact O-N 2.9Å; V911-V919 HydrophobicContact CG2-CG2 4.26Å
912	Q	61.1	Low	76.1	Confident	151 Å²	151	61.4 Å²	61.4	71%	0.706	30%	0.296	S	S	*	.	S	Bend	trans	-67.7	-15.6	179.9	-66.7	-70.5	-12.9	0	0	113.1
913	R	58	Low	77.1	Confident	194 Å²	194	54.8 Å²	54.8	73%	0.732	27%	0.265	S	S	*	.	S	Bend	trans	-146.8	133	174.9	-58.9	-175.3	-174.4	-169	0.6	107.8	V911 S915	V911-R913 WeakPolarHBondContact CG1-O 3.43Å; V911-R913 PolarHBondContact O-N 2.9Å; R913-S915 PolarHBondContact O-N 3.5Å
914	H	61	Low	77.5	Confident	80 Å²	80	52.9 Å²	52.9	37%	0.37	26%	0.257	S	S	.	.			trans	-78.6	42.6	-174.9	-61.3	-92.7	0	0	0	113.3	K872 L916	K872-H914 WeakPolarHBondContact CE-NE2 3.39Å; H914-L916 PolarHBondContact O-N 3.01Å
915	S	69.5	Low	77.6	Confident	54 Å²	54	59.7 Å²	59.7	38%	0.378	29%	0.288	S	S	.	.			trans	-68.5	100.8	176.1	44.3	0	0	0	0	110.4	R913 Q917 S918 V919	R913-S915 PolarHBondContact O-N 3.5Å; S915-Q917 PolarHBondContact O-N 3.33Å; S915-S918 WeakPolarHBondContact O-CB 3.39Å; S915-S918 PolarHBondContact O-N 2.8Å; S915-S918 PolarHBondContact OG-OG 3.19Å; S915-V919 PolarHBondContact O-N 3Å
916	L	75.9	Confident	77.5	Confident	58 Å²	58	64.4 Å²	64.4	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-43.2	-41.6	178	170.9	63.7	0	0	0	113	H914 S918 V919 L920 L935	H914-L916 PolarHBondContact O-N 3.01Å; L916-S918 PolarHBondContact O-N 3.02Å; L916-V919 WeakPolarHBondContact O-CB 3.43Å; L916-V919 PolarHBondContact O-N 3.18Å; L916-L920 HydrophobicContact CD1-CD1 4.11Å; L916-L920 HydrophobicContact CD1-CG 4.18Å; L916-L920 HydrophobicContact CG-CD1 4.05Å; L916-L920 WeakPolarHBondContact O-CG 3.17Å; L916-L920 PolarHBondContact O-N 2.67Å; L916-L935 HydrophobicContact CD1-CD1 3.8Å; L916-L935 HydrophobicContact CD1-CD2 3.85Å; L916-L935 HydrophobicContact CD1-CG 4.5Å; L916-L935 HydrophobicContact CD2-CD2 3.63Å; L916-L935 HydrophobicContact CG-CD2 4.28Å
917	Q	77.3	Confident	77.5	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-42.3	176.2	-68.8	-173	-32.7	0	0	113.3	S915 V919 L920 D921 Y1011 S1020 N1022	S915-Q917 PolarHBondContact O-N 3.33Å; Q917-V919 VanDerWaalsContact C-N 3.26Å; Q917-V919 PolarHBondContact O-N 3.25Å; Q917-L920 CarbonylContact O-C 3.58Å; Q917-L920 PolarHBondContact O-N 2.64Å; Q917-D921 WeakPolarHBondContact O-CB 3.21Å; Q917-D921 PolarHBondContact O-N 3.09Å; Q917-D921 VanDerWaalsContact O-OD2 3.09Å; Q917-Y1011 PolarHBondContact O-OH 2.7Å; Q917-S1020 PolarHBondContact OE1-O 2.88Å; Q917-N1022 PolarHBondContact NE2-O 2.95Å
918	S	77.8	Confident	77.4	Confident	54 Å²	54	72.5 Å²	72.5	38%	0.378	33%	0.333	S	S	.	.	H	α-helix	trans	-68.2	-30.5	-179.9	-49	0	0	0	0	111.9	S915 L916 F922	S915-S918 WeakPolarHBondContact O-CB 3.39Å; S915-S918 PolarHBondContact O-N 2.8Å; S915-S918 PolarHBondContact OG-OG 3.19Å; L916-S918 PolarHBondContact O-N 3.02Å; S918-F922 WeakPolarHBondContact O-CB 3.29Å; S918-F922 PolarHBondContact O-N 2.83Å
919	V	80.7	Confident	77.5	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-69.4	-43	171.9	168.7	0	0	0	0	110.8	L868 L870 L909 V911 S915 L916 Q917 F923	L868-V919 HydrophobicContact CB-CG1 4.24Å; L868-V919 HydrophobicContact CD1-CG1 3.41Å; L868-V919 VanDerWaalsContact CD1-CG1 3.41Å; L868-V919 HydrophobicContact CG-CG1 4.43Å; L870-V919 HydrophobicContact CD1-CG2 4.34Å; L870-V919 HydrophobicContact CD2-CG1 4.07Å; L870-V919 HydrophobicContact CD2-CG2 3.69Å; L909-V919 HydrophobicContact CD1-CB 4.34Å; L909-V919 HydrophobicContact CD1-CG1 3.8Å; L909-V919 HydrophobicContact CD1-CG2 4.16Å; V911-V919 HydrophobicContact CG2-CG2 4.26Å; S915-V919 PolarHBondContact O-N 3Å; L916-V919 WeakPolarHBondContact O-CB 3.43Å; L916-V919 PolarHBondContact O-N 3.18Å; Q917-V919 VanDerWaalsContact C-N 3.26Å; Q917-V919 PolarHBondContact O-N 3.25Å; V919-F923 PolarHBondContact O-N 3.15Å; V919-F923 VanDerWaalsContact O-N 3.15Å
920	L	85.1	Confident	77.9	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-68.1	-44.5	174.5	-71	173.5	0	0	0	112.5	V834 L916 Q917 F922 F923 V924 F1006 Y1011 L1024	V834-L920 HydrophobicContact CG1-CD2 4.34Å; L916-L920 HydrophobicContact CD1-CD1 4.11Å; L916-L920 HydrophobicContact CD1-CG 4.18Å; L916-L920 HydrophobicContact CG-CD1 4.05Å; L916-L920 WeakPolarHBondContact O-CG 3.17Å; L916-L920 PolarHBondContact O-N 2.67Å; Q917-L920 CarbonylContact O-C 3.58Å; Q917-L920 PolarHBondContact O-N 2.64Å; L920-F922 VanDerWaalsContact C-N 3.31Å; L920-F922 PolarHBondContact O-N 3.02Å; L920-F923 PolarHBondContact O-N 2.96Å; L920-F923 VanDerWaalsContact O-N 3.08Å; L920-V924 WeakPolarHBondContact O-CB 3.42Å; L920-V924 VanDerWaalsContact O-CG2 3.27Å; L920-V924 WeakPolarHBondContact O-CG2 3.24Å; L920-V924 PolarHBondContact O-N 3.39Å; L920-F1006 HydrophobicContact CD1-CZ 4.16Å; L920-F1006 HydrophobicContact CD2-CZ 4.2Å; L920-Y1011 HydrophobicContact CB-CE1 4.47Å; L920-Y1011 HydrophobicContact CB-CE2 4.36Å; L920-Y1011 HydrophobicContact CD1-CE2 4.35Å; L920-L1024 HydrophobicContact CD1-CD1 4.22Å; L920-L1024 HydrophobicContact CD1-CD2 4Å
921	D	84.7	Confident	78.7	Confident	27 Å²	27	75.6 Å²	75.6	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-53.3	-48.8	175.7	-70.2	-34.5	0	0	0	110.2	Q917 F923 Q925 Y1011 R1015	Q917-D921 WeakPolarHBondContact O-CB 3.21Å; Q917-D921 PolarHBondContact O-N 3.09Å; Q917-D921 VanDerWaalsContact O-OD2 3.09Å; D921-F923 PolarHBondContact O-N 3.31Å; D921-Q925 VanDerWaalsContact O-CB 3.32Å; D921-Q925 WeakPolarHBondContact O-CB 3.2Å; D921-Q925 WeakPolarHBondContact O-CG 3.21Å; D921-Q925 PolarHBondContact O-N 2.95Å; D921-Y1011 WeakPolarHBondContact OD1-CE1 3.1Å; D921-Y1011 PolarHBondContact OD1-OH 3.18Å; D921-R1015 IonicContact OD1-CZ 3.34Å; D921-R1015 IonicContact OD1-NE 3.58Å; D921-R1015 PolarHBondContact OD1-NE 2.69Å; D921-R1015 IonicContact OD1-NH2 3.55Å; D921-R1015 IonicContact OD2-CZ 3.79Å; D921-R1015 IonicContact OD2-NE 3.7Å; D921-R1015 PolarHBondContact OD2-NE 2.72Å; D921-R1015 IonicContact OD2-NH2 2.74Å; D921-R1015 PolarHBondContact OD2-NH2 3.35Å
922	F	82.2	Confident	79.9	Confident	76 Å²	76	74.5 Å²	74.5	33%	0.333	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-37.9	176.6	176.9	-83	0	0	0	113.5	L909 S918 L920 R926	L909-F922 HydrophobicContact CD1-CD1 4.43Å; L909-F922 HydrophobicContact CD2-CD1 3.69Å; L909-F922 HydrophobicContact CD2-CE1 3.27Å; L909-F922 HydrophobicContact CD2-CE2 4.39Å; L909-F922 HydrophobicContact CD2-CG 4.41Å; L909-F922 HydrophobicContact CD2-CZ 3.64Å; S918-F922 WeakPolarHBondContact O-CB 3.29Å; S918-F922 PolarHBondContact O-N 2.83Å; L920-F922 VanDerWaalsContact C-N 3.31Å; L920-F922 PolarHBondContact O-N 3.02Å; F922-R926 VanDerWaalsContact CE1-CZ 3.49Å; F922-R926 VanDerWaalsContact O-CD 3.3Å; F922-R926 WeakPolarHBondContact O-CD 3.37Å; F922-R926 WeakPolarHBondContact O-CG 3.28Å
923	F	84.6	Confident	81.6	Confident	8 Å²	8	67.3 Å²	67.3	4%	0.035	31%	0.311	C	S	.	.	H	α-helix	trans	-75.4	-51.1	180	172.6	-113.7	0	0	0	111.9	T832 V834 V866 L868 F907 V919 L920 D921 Q925 R926 L927 I933	T832-F923 HydrophobicContact CG2-CE1 4.43Å; T832-F923 HydrophobicContact CG2-CZ 3.89Å; V834-F923 HydrophobicContact CG2-CD1 3.85Å; V834-F923 HydrophobicContact CG2-CE1 3.41Å; V834-F923 VanDerWaalsContact CG2-CE1 3.41Å; V834-F923 HydrophobicContact CG2-CZ 4Å; V866-F923 HydrophobicContact CB-CE2 4.22Å; V866-F923 HydrophobicContact CB-CZ 4.38Å; V866-F923 HydrophobicContact CG1-CD2 4.11Å; V866-F923 HydrophobicContact CG1-CE2 3.74Å; V866-F923 HydrophobicContact CG1-CZ 4.35Å; V866-F923 HydrophobicContact CG2-CE2 3.91Å; V866-F923 HydrophobicContact CG2-CZ 3.96Å; L868-F923 HydrophobicContact CD1-CB 4.38Å; F907-F923 HydrophobicContact CE2-CD2 4.36Å; F907-F923 HydrophobicContact CE2-CE2 4.47Å; V919-F923 PolarHBondContact O-N 3.15Å; V919-F923 VanDerWaalsContact O-N 3.15Å; L920-F923 PolarHBondContact O-N 2.96Å; L920-F923 VanDerWaalsContact O-N 3.08Å; D921-F923 PolarHBondContact O-N 3.31Å; F923-Q925 PolarHBondContact O-N 2.95Å; F923-R926 WeakPolarHBondContact O-CB 3.44Å; F923-R926 PolarHBondContact O-N 2.91Å; F923-L927 HydrophobicContact CE1-CD1 4.06Å; F923-L927 HydrophobicContact CE1-CD2 4.41Å; F923-L927 HydrophobicContact CE1-CG 4.48Å; F923-L927 HydrophobicContact CE2-CD2 4.13Å; F923-L927 HydrophobicContact CZ-CD1 4.29Å; F923-L927 HydrophobicContact CZ-CD2 3.82Å; F923-L927 HydrophobicContact CZ-CG 4.34Å; F923-I933 HydrophobicContact CD1-CD1 4.27Å; F923-I933 HydrophobicContact CE1-CD1 3.9Å; F923-I933 HydrophobicContact CE1-CG1 4.26Å
924	V	87.6	Confident	83.3	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-37.5	-174	179	0	0	0	0	111.5	L920 R926 L927 I933 Y1011 L1012	L920-V924 WeakPolarHBondContact O-CB 3.42Å; L920-V924 VanDerWaalsContact O-CG2 3.27Å; L920-V924 WeakPolarHBondContact O-CG2 3.24Å; L920-V924 PolarHBondContact O-N 3.39Å; V924-R926 PolarHBondContact O-N 3.18Å; V924-R926 VanDerWaalsContact O-N 3.07Å; V924-L927 PolarHBondContact O-N 2.89Å; V924-L927 VanDerWaalsContact O-N 3.1Å; V924-I933 HydrophobicContact CG2-CD1 3.62Å; V924-Y1011 HydrophobicContact CB-CD1 4.17Å; V924-Y1011 HydrophobicContact CB-CE1 4.45Å; V924-Y1011 HydrophobicContact CG1-CD1 4.07Å; V924-Y1011 HydrophobicContact CG2-CD1 3.96Å; V924-Y1011 HydrophobicContact CG2-CE1 4.31Å; V924-L1012 HydrophobicContact CG1-CD1 3.93Å; V924-L1012 HydrophobicContact CG1-CD2 3.93Å; V924-L1012 HydrophobicContact CG1-CG 3.66Å
925	Q	85.2	Confident	84.9	Confident	143 Å²	143	54.4 Å²	54.4	67%	0.668	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12	174.2	-70.9	172	19.1	0	0	114.1	D921 F923	D921-Q925 VanDerWaalsContact O-CB 3.32Å; D921-Q925 WeakPolarHBondContact O-CB 3.2Å; D921-Q925 WeakPolarHBondContact O-CG 3.21Å; D921-Q925 PolarHBondContact O-N 2.95Å; F923-Q925 PolarHBondContact O-N 2.95Å
926	R	84.5	Confident	86.1	Confident	141 Å²	141	51.9 Å²	51.9	53%	0.532	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-8.5	177.2	-65.2	172.9	170.5	-138.4	-11.5	113.5	F922 F923 V924	F922-R926 VanDerWaalsContact CE1-CZ 3.49Å; F922-R926 VanDerWaalsContact O-CD 3.3Å; F922-R926 WeakPolarHBondContact O-CD 3.37Å; F922-R926 WeakPolarHBondContact O-CG 3.28Å; F923-R926 WeakPolarHBondContact O-CB 3.44Å; F923-R926 PolarHBondContact O-N 2.91Å; V924-R926 PolarHBondContact O-N 3.18Å; V924-R926 VanDerWaalsContact O-N 3.07Å
927	L	85.2	Confident	86.8	Confident	41 Å²	41	49.7 Å²	49.7	22%	0.215	23%	0.231	C	C	.	.			trans	-74.8	128.2	176.5	-63.3	177.1	0	0	0	110	F923 V924 Q929 I933	F923-L927 HydrophobicContact CE1-CD1 4.06Å; F923-L927 HydrophobicContact CE1-CD2 4.41Å; F923-L927 HydrophobicContact CE1-CG 4.48Å; F923-L927 HydrophobicContact CE2-CD2 4.13Å; F923-L927 HydrophobicContact CZ-CD1 4.29Å; F923-L927 HydrophobicContact CZ-CD2 3.82Å; F923-L927 HydrophobicContact CZ-CG 4.34Å; V924-L927 PolarHBondContact O-N 2.89Å; V924-L927 VanDerWaalsContact O-N 3.1Å; L927-Q929 VanDerWaalsContact C-N 3.35Å; L927-I933 HydrophobicContact CD1-CD1 3.9Å; L927-I933 HydrophobicContact CD1-CG1 4.44Å
928	R	81.6	Confident	87.5	Confident	244 Å²	244	49.4 Å²	49.4	92%	0.921	23%	0.23	S	C	*	.	S	Bend	trans	-79.2	-19	-178.9	-63.8	179.4	-179.1	155.5	-0.8	113.6
929	Q	85.4	Confident	88.2	Confident	150 Å²	150	48.3 Å²	48.3	70%	0.701	22%	0.218	S	C	*	.	S	Bend	trans	-144.4	155.4	-176.2	-72.7	-175.2	-25.3	0	0	108.6	L927 E931	L927-Q929 VanDerWaalsContact C-N 3.35Å; Q929-E931 PolarHBondContact O-N 2.91Å
930	P	86.1	Confident	88.8	Confident	76 Å²	76	48.2 Å²	48.2	49%	0.494	22%	0.217	S	C	.	.			trans	-70.5	101.3	177.6	28.4	-34.1	0	0	0	111.2	S1008	P930-S1008 VanDerWaalsContact CA-OG 3.31Å; P930-S1008 WeakPolarHBondContact CA-OG 3.14Å
931	E	91.4	Very high	89	Confident	47 Å²	47	49.4 Å²	49.4	22%	0.22	22%	0.223	C	C	.	.			trans	-91.2	153.8	171.2	-58.6	-166.4	160	0	0	111.9	T832 K864 Q929 S1008	T832-E931 PolarHBondContact OG1-OE2 2.91Å; K864-E931 IonicContact NZ-OE1 2.7Å; K864-E931 PolarHBondContact NZ-OE1 3.04Å; K864-E931 IonicContact NZ-OE2 2.67Å; Q929-E931 PolarHBondContact O-N 2.91Å; E931-S1008 PolarHBondContact N-OG 2.81Å; E931-S1008 PolarHBondContact O-N 3.05Å; E931-S1008 PolarHBondContact O-OG 3.46Å
932	L	94.2	Very high	89.2	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.7	166.9	173.1	53.7	0	0	0	108.9	V831 T832 V950 T954 S1005 Y1007	V831-L932 HydrophobicContact CG2-CD2 4.03Å; T832-L932 PolarHBondContact N-O 3.47Å; L932-V950 HydrophobicContact CD2-CG1 4.34Å; L932-T954 HydrophobicContact CD1-CG2 3.53Å; L932-S1005 WeakPolarHBondContact CD1-OG 3.48Å; L932-Y1007 HydrophobicContact CB-CD1 4.19Å; L932-Y1007 HydrophobicContact CB-CE1 3.67Å; L932-Y1007 HydrophobicContact CD1-CD2 4.24Å; L932-Y1007 HydrophobicContact CD1-CE2 3.91Å
933	I	94.8	Very high	89.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.2	177.8	-65.2	172.1	0	0	0	109.1	T832 V834 F923 V924 L927 S1005 F1006	T832-I933 WeakPolarHBondContact O-CA 3.46Å; V834-I933 HydrophobicContact CB-CG2 4.38Å; V834-I933 HydrophobicContact CG2-CG2 3.78Å; F923-I933 HydrophobicContact CD1-CD1 4.27Å; F923-I933 HydrophobicContact CE1-CD1 3.9Å; F923-I933 HydrophobicContact CE1-CG1 4.26Å; V924-I933 HydrophobicContact CG2-CD1 3.62Å; L927-I933 HydrophobicContact CD1-CD1 3.9Å; L927-I933 HydrophobicContact CD1-CG1 4.44Å; I933-S1005 VanDerWaalsContact O-CA 3.28Å; I933-S1005 WeakPolarHBondContact O-CA 3.29Å; I933-S1005 PolarHBondContact O-OG 2.99Å; I933-F1006 HydrophobicContact CB-CD2 4.24Å; I933-F1006 HydrophobicContact CB-CE2 3.93Å; I933-F1006 HydrophobicContact CB-CZ 4.16Å; I933-F1006 HydrophobicContact CD1-CE2 3.91Å; I933-F1006 HydrophobicContact CG2-CE1 4.17Å; I933-F1006 HydrophobicContact CG2-CE2 3.94Å; I933-F1006 HydrophobicContact CG2-CZ 3.67Å; I933-F1006 PolarHBondContact N-O 3.22Å; I933-F1006 PolarHBondContact O-N 2.98Å
934	F	95.4	Very high	89.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	110.9	164.4	179.6	-142.5	0	0	0	109.5	V831 T832 L833 V834 V936 L940 M946 V950 P963 L1003 F1044	V831-F934 HydrophobicContact CG1-CB 3.78Å; T832-F934 PolarHBondContact O-N 2.94Å; L833-F934 CarbonylContact C-O 3.59Å; L833-F934 WeakPolarHBondContact CA-O 3.26Å; L833-F934 HydrophobicContact CD2-CB 4.37Å; L833-F934 HydrophobicContact CD2-CD1 3.49Å; L833-F934 VanDerWaalsContact CD2-CD1 3.49Å; L833-F934 HydrophobicContact CD2-CE1 4.15Å; L833-F934 HydrophobicContact CD2-CG 4.3Å; V834-F934 PolarHBondContact N-O 3.31Å; F934-V936 HydrophobicContact CD1-CG1 3.57Å; F934-V936 HydrophobicContact CD2-CG1 4.42Å; F934-V936 HydrophobicContact CE1-CG1 3.32Å; F934-V936 HydrophobicContact CE2-CG1 4.23Å; F934-V936 HydrophobicContact CG-CG1 4.1Å; F934-V936 HydrophobicContact CZ-CG1 3.66Å; F934-L940 HydrophobicContact CE1-CD2 4.42Å; F934-L940 HydrophobicContact CZ-CD2 4.43Å; F934-M946 HydrophobicContact CE1-CE 4.18Å; F934-M946 HydrophobicContact CE1-CG 4.04Å; F934-M946 HydrophobicContact CE1-SD 3.83Å; F934-M946 HydrophobicContact CZ-SD 4.28Å; F934-V950 HydrophobicContact CB-CG1 4.08Å; F934-V950 HydrophobicContact CD1-CG1 4.47Å; F934-V950 HydrophobicContact CD1-CG2 3.66Å; F934-V950 HydrophobicContact CD2-CG2 3.97Å; F934-V950 HydrophobicContact CE1-CG2 3.8Å; F934-V950 HydrophobicContact CE2-CG2 4.1Å; F934-V950 HydrophobicContact CG-CG1 4.25Å; F934-V950 HydrophobicContact CG-CG2 3.78Å; F934-V950 HydrophobicContact CZ-CG2 4.04Å; F934-P963 HydrophobicContact CE2-CG 4.41Å; F934-L1003 HydrophobicContact CE2-CB 4.24Å; F934-F1044 HydrophobicContact CE1-CE1 4.09Å; F934-F1044 HydrophobicContact CE2-CE1 4.22Å; F934-F1044 AromaticContact CZ-CD1 3.9Å; F934-F1044 HydrophobicContact CZ-CD1 3.9Å; F934-F1044 AromaticContact CZ-CE1 3.52Å; F934-F1044 HydrophobicContact CZ-CE1 3.52Å
935	L	94.2	Very high	89.1	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129	172.6	-179.8	71.6	0	0	0	109.4	V834 P836 L916 A1004 L1024	V834-L935 HydrophobicContact CB-CD1 4.5Å; V834-L935 HydrophobicContact CG1-CD1 4.19Å; P836-L935 HydrophobicContact CG-CD1 4.05Å; L916-L935 HydrophobicContact CD1-CD1 3.8Å; L916-L935 HydrophobicContact CD1-CD2 3.85Å; L916-L935 HydrophobicContact CD1-CG 4.5Å; L916-L935 HydrophobicContact CD2-CD2 3.63Å; L916-L935 HydrophobicContact CG-CD2 4.28Å; L935-A1004 HydrophobicContact CB-CB 4.32Å; L935-A1004 WeakPolarHBondContact CB-O 3.48Å; L935-A1004 HydrophobicContact CD2-CB 4.43Å; L935-A1004 PolarHBondContact N-O 3Å; L935-A1004 PolarHBondContact O-N 2.8Å; L935-L1024 HydrophobicContact CD2-CD2 4.27Å
936	V	93.5	Very high	89.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	23%	0.229	C	C	.	.			trans	-128.5	146	-176.6	-70.3	0	0	0	0	112.9	L833 V834 L835 P836 F848 F934 L940	L833-V936 HydrophobicContact CD2-CG1 3.54Å; L833-V936 HydrophobicContact CD2-CG2 4.23Å; V834-V936 WeakPolarHBondContact O-CG2 3.2Å; V834-V936 PolarHBondContact O-N 3.47Å; L835-V936 HydrophobicContact CB-CG2 4.03Å; L835-V936 HydrophobicContact CD1-CG2 3.95Å; P836-V936 WeakPolarHBondContact CD-O 3.49Å; F848-V936 HydrophobicContact CE2-CG2 4.48Å; F848-V936 HydrophobicContact CZ-CG2 4.11Å; F934-V936 HydrophobicContact CD1-CG1 3.57Å; F934-V936 HydrophobicContact CD2-CG1 4.42Å; F934-V936 HydrophobicContact CE1-CG1 3.32Å; F934-V936 HydrophobicContact CE2-CG1 4.23Å; F934-V936 HydrophobicContact CG-CG1 4.1Å; F934-V936 HydrophobicContact CZ-CG1 3.66Å; V936-L940 HydrophobicContact CB-CD2 3.66Å; V936-L940 HydrophobicContact CG1-CD2 3.4Å; V936-L940 VanDerWaalsContact CG1-CD2 3.4Å
937	S	92.1	Very high	89.7	Confident	11 Å²	11	42.1 Å²	42.1	8%	0.077	20%	0.204	C	C	.	.			trans	-80.6	145	171.1	172.2	0	0	0	0	111.4	W939 L940	S937-W939 PolarHBondContact O-N 3.13Å; S937-W939 VanDerWaalsContact O-N 3.08Å; S937-W939 PolarHBondContact OG-N 3.02Å; S937-W939 VanDerWaalsContact OG-N 3.15Å; S937-L940 VanDerWaalsContact O-CB 3.24Å; S937-L940 WeakPolarHBondContact O-CB 3.46Å; S937-L940 PolarHBondContact O-N 2.85Å
938	P	91.6	Very high	89.9	Confident	7 Å²	7	42.1 Å²	42.1	5%	0.045	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-17	166.5	-28.7	37.8	0	0	0	115.7	L835 P836 D841 A844 A845	L835-P938 HydrophobicContact CD1-CB 4.44Å; L835-P938 HydrophobicContact CD1-CG 3.99Å; P836-P938 VanDerWaalsContact O-CG 3.31Å; P836-P938 WeakPolarHBondContact O-CG 3.47Å; D841-P938 HydrophobicContact CB-CB 3.97Å; D841-P938 HydrophobicContact CB-CG 3.8Å; A844-P938 CarbonylContact C-O 3.55Å; A845-P938 HydrophobicContact CB-CB 4.21Å
939	W	92.3	Very high	90.4	Very high	31 Å²	31	35.7 Å²	35.7	12%	0.117	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3	-178	-56.4	-32.9	0	0	0	114.1	S937 L1046 R1047 P1049 N1050 R1051	S937-W939 PolarHBondContact O-N 3.13Å; S937-W939 VanDerWaalsContact O-N 3.08Å; S937-W939 PolarHBondContact OG-N 3.02Å; S937-W939 VanDerWaalsContact OG-N 3.15Å; W939-L1046 HydrophobicContact CB-CB 4.47Å; W939-L1046 HydrophobicContact CB-CD2 4.34Å; W939-L1046 HydrophobicContact CB-CG 4.38Å; W939-L1046 CarbonylContact O-C 3.56Å; W939-L1046 VanDerWaalsContact O-CA 3.31Å; W939-L1046 WeakPolarHBondContact O-CA 3.25Å; W939-R1047 PolarHBondContact O-N 3.35Å; W939-P1049 HydrophobicContact CD2-CB 4.14Å; W939-P1049 VanDerWaalsContact CE3-CA 3.46Å; W939-P1049 HydrophobicContact CE3-CB 3.26Å; W939-P1049 HydrophobicContact CH2-CB 4.07Å; W939-P1049 VanDerWaalsContact CZ3-CA 3.48Å; W939-P1049 HydrophobicContact CZ3-CB 3.22Å; W939-N1050 WeakPolarHBondContact CH2-O 3.49Å; W939-N1050 HydrophobicContact CZ2-CB 4.21Å; W939-R1051 HydrophobicContact CH2-CG 4.47Å; W939-R1051 HydrophobicContact CZ3-CG 4.19Å
940	L	93.1	Very high	90.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-73.5	122.8	-176.5	-175.3	62.9	0	0	0	112.3	F848 F934 V936 S937 V942 M946 L1003 R1045 L1046	F848-L940 HydrophobicContact CD2-CB 4.32Å; F848-L940 WeakPolarHBondContact CD2-O 3.35Å; F848-L940 HydrophobicContact CE2-CB 4.3Å; F848-L940 HydrophobicContact CE2-CD2 4.48Å; F934-L940 HydrophobicContact CE1-CD2 4.42Å; F934-L940 HydrophobicContact CZ-CD2 4.43Å; V936-L940 HydrophobicContact CB-CD2 3.66Å; V936-L940 HydrophobicContact CG1-CD2 3.4Å; V936-L940 VanDerWaalsContact CG1-CD2 3.4Å; S937-L940 VanDerWaalsContact O-CB 3.24Å; S937-L940 WeakPolarHBondContact O-CB 3.46Å; S937-L940 PolarHBondContact O-N 2.85Å; L940-V942 PolarHBondContact O-N 3.21Å; L940-M946 HydrophobicContact CD1-SD 4.03Å; L940-M946 HydrophobicContact CD2-CE 3.99Å; L940-M946 HydrophobicContact CD2-SD 3.63Å; L940-M946 HydrophobicContact CG-CE 4.47Å; L940-M946 HydrophobicContact CG-SD 3.96Å; L940-L1003 HydrophobicContact CD1-CD1 4.04Å; L940-L1003 HydrophobicContact CD1-CD2 4.3Å; L940-L1003 HydrophobicContact CD2-CD2 3.98Å; L940-R1045 CarbonylContact C-O 3.57Å; L940-R1045 WeakPolarHBondContact CA-O 3.32Å; L940-L1046 HydrophobicContact CD1-CD1 4.07Å
941	E	90.3	Very high	91.1	Very high	26 Å²	26	25.1 Å²	25.1	12%	0.121	12%	0.124	C	C	.	.			trans	-74.3	117.7	174.2	-59	-175.9	158.3	0	0	110.3	N943 R968 R1045 R1047	E941-N943 PolarHBondContact O-N 3.11Å; E941-R968 VanDerWaalsContact OE1-CD 3.27Å; E941-R968 WeakPolarHBondContact OE1-CD 3.43Å; E941-R968 IonicContact OE1-CZ 3.02Å; E941-R968 IonicContact OE1-NE 2.74Å; E941-R968 IonicContact OE1-NH1 3.11Å; E941-R968 PolarHBondContact OE1-NH1 2.97Å; E941-R1045 HydrophobicContact CB-CB 4.19Å; E941-R1045 HydrophobicContact CG-CB 4.34Å; E941-R1045 PolarHBondContact N-O 3.2Å; E941-R1047 HydrophobicContact CG-CG 3.83Å
942	V	88.8	Confident	91.1	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.097	13%	0.133	C	C	.	.			trans	-83.6	114	-171.2	-174.8	0	0	0	0	112.6	F848 D851 F852 S855 Y856 L940	F848-V942 HydrophobicContact CD2-CG2 3.7Å; F848-V942 HydrophobicContact CE2-CG2 3.54Å; F848-V942 HydrophobicContact CG-CG2 4.47Å; F848-V942 HydrophobicContact CZ-CG2 4.19Å; D851-V942 HydrophobicContact CB-CB 4.22Å; D851-V942 HydrophobicContact CB-CG2 4.43Å; F852-V942 HydrophobicContact CB-CG2 4.43Å; S855-V942 PolarHBondContact OG-O 3.05Å; Y856-V942 HydrophobicContact CD2-CG1 3.93Å; Y856-V942 HydrophobicContact CE1-CG1 4.41Å; Y856-V942 HydrophobicContact CE2-CG1 3.23Å; L940-V942 PolarHBondContact O-N 3.21Å
943	N	85.1	Confident	90.9	Very high	40 Å²	40	27.7 Å²	27.7	21%	0.214	14%	0.14	C	C	.	.			trans	-121.9	165	173.1	66.8	61.4	0	0	0	112.9	Y856 E941 E945 M946 A1043	Y856-N943 PolarHBondContact OH-O 2.89Å; E941-N943 PolarHBondContact O-N 3.11Å; N943-E945 PolarHBondContact OD1-N 3.09Å; N943-M946 WeakPolarHBondContact OD1-CB 3.49Å; N943-M946 PolarHBondContact OD1-N 2.88Å; N943-A1043 PolarHBondContact ND2-O 3.02Å
944	T	80.5	Confident	90.9	Very high	96 Å²	96	27.7 Å²	27.7	59%	0.589	14%	0.14	S	C	*	.	S	Bend	trans	-69.8	-35.6	-177.4	45.6	0	0	0	0	113.7	M946	T944-M946 PolarHBondContact O-N 3.19Å
945	E	85.9	Confident	90.7	Very high	90 Å²	90	28.3 Å²	28.3	42%	0.421	14%	0.144	S	C	.	.	H	α-helix	trans	-68.9	-33.6	-174.5	-163.3	-176.8	156.4	0	0	113.1	N943 L947 N948 R949	N943-E945 PolarHBondContact OD1-N 3.09Å; E945-L947 VanDerWaalsContact C-N 3.29Å; E945-L947 PolarHBondContact O-N 2.7Å; E945-N948 PolarHBondContact O-N 3.03Å; E945-R949 HydrophobicContact CG-CG 4.27Å; E945-R949 PolarHBondContact O-N 2.83Å; E945-R949 IonicContact OE1-CZ 2.75Å; E945-R949 IonicContact OE1-NE 2.67Å; E945-R949 PolarHBondContact OE1-NE 3.31Å; E945-R949 IonicContact OE1-NH2 3.42Å; E945-R949 PolarHBondContact OE1-NH2 3.4Å
946	M	90.6	Very high	90.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-50.2	-43.2	-177.6	-177.9	175.2	67.4	0	0	113.7	Y856 F934 L940 N943 T944 R949 V950 F1044	Y856-M946 VanDerWaalsContact OH-CE 3.29Å; Y856-M946 WeakPolarHBondContact OH-CE 3.39Å; F934-M946 HydrophobicContact CE1-CE 4.18Å; F934-M946 HydrophobicContact CE1-CG 4.04Å; F934-M946 HydrophobicContact CE1-SD 3.83Å; F934-M946 HydrophobicContact CZ-SD 4.28Å; L940-M946 HydrophobicContact CD1-SD 4.03Å; L940-M946 HydrophobicContact CD2-CE 3.99Å; L940-M946 HydrophobicContact CD2-SD 3.63Å; L940-M946 HydrophobicContact CG-CE 4.47Å; L940-M946 HydrophobicContact CG-SD 3.96Å; N943-M946 WeakPolarHBondContact OD1-CB 3.49Å; N943-M946 PolarHBondContact OD1-N 2.88Å; T944-M946 PolarHBondContact O-N 3.19Å; M946-R949 PolarHBondContact O-N 3.08Å; M946-V950 WeakPolarHBondContact O-CB 3.26Å; M946-V950 WeakPolarHBondContact O-CG2 3.23Å; M946-V950 PolarHBondContact O-N 3.12Å; M946-F1044 HydrophobicContact CG-CD1 3.8Å; M946-F1044 HydrophobicContact CG-CE1 3.4Å; M946-F1044 VanDerWaalsContact CG-CE1 3.4Å; M946-F1044 HydrophobicContact CG-CZ 3.96Å; M946-F1044 HydrophobicContact SD-CD1 3.96Å; M946-F1044 HydrophobicContact SD-CE1 4.08Å
947	L	91.1	Very high	90.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-34.7	178.9	-67.9	-176.1	0	0	0	111.9	V831 L833 Y856 C863 E945 V950 R951	V831-L947 HydrophobicContact CB-CD2 4.1Å; V831-L947 HydrophobicContact CG1-CD2 3.98Å; V831-L947 HydrophobicContact CG2-CD2 4.29Å; L833-L947 HydrophobicContact CD1-CD2 4.34Å; L833-L947 HydrophobicContact CD2-CD2 4.35Å; L833-L947 HydrophobicContact CG-CD2 4.49Å; Y856-L947 HydrophobicContact CD1-CD1 3.84Å; Y856-L947 HydrophobicContact CD2-CD1 4.3Å; Y856-L947 HydrophobicContact CE1-CD1 3.52Å; Y856-L947 HydrophobicContact CE1-CG 3.9Å; Y856-L947 HydrophobicContact CE2-CD1 3.98Å; Y856-L947 HydrophobicContact CE2-CG 4.27Å; Y856-L947 HydrophobicContact CG-CD1 4.22Å; C863-L947 HydrophobicContact CB-CD1 3.89Å; E945-L947 VanDerWaalsContact C-N 3.29Å; E945-L947 PolarHBondContact O-N 2.7Å; L947-V950 PolarHBondContact O-N 2.91Å; L947-R951 VanDerWaalsContact O-CB 3.32Å; L947-R951 WeakPolarHBondContact O-CB 3.47Å; L947-R951 WeakPolarHBondContact O-CD 3.46Å; L947-R951 WeakPolarHBondContact O-CG 3.22Å; L947-R951 PolarHBondContact O-N 2.91Å
948	N	90.7	Very high	90.3	Very high	41 Å²	41	39.3 Å²	39.3	22%	0.219	19%	0.191	C	C	.	.	H	α-helix	trans	-71.8	-38	177.2	-72.4	2.2	0	0	0	111.4	E945 V950 R951 L952	E945-N948 PolarHBondContact O-N 3.03Å; N948-V950 PolarHBondContact O-N 3.38Å; N948-R951 PolarHBondContact O-N 3.4Å; N948-R951 WeakPolarHBondContact OD1-CD 3.28Å; N948-R951 PolarHBondContact OD1-NH1 2.68Å; N948-L952 WeakPolarHBondContact O-CB 3.4Å; N948-L952 WeakPolarHBondContact O-CG 3.37Å; N948-L952 PolarHBondContact O-N 3.13Å
949	R	91.9	Very high	90.3	Very high	108 Å²	108	40 Å²	40	41%	0.408	19%	0.193	S	C	.	.	H	α-helix	trans	-56.2	-50.3	168.5	-63.4	-70.1	173.1	173.7	-2.7	111	E945 M946 R951 L952 S953 D1041 A1043 F1044	E945-R949 HydrophobicContact CG-CG 4.27Å; E945-R949 PolarHBondContact O-N 2.83Å; E945-R949 IonicContact OE1-CZ 2.75Å; E945-R949 IonicContact OE1-NE 2.67Å; E945-R949 PolarHBondContact OE1-NE 3.31Å; E945-R949 IonicContact OE1-NH2 3.42Å; E945-R949 PolarHBondContact OE1-NH2 3.4Å; M946-R949 PolarHBondContact O-N 3.08Å; R949-R951 PolarHBondContact O-N 2.95Å; R949-L952 PolarHBondContact O-N 3.13Å; R949-S953 VanDerWaalsContact O-CB 3.27Å; R949-S953 WeakPolarHBondContact O-CB 3.42Å; R949-S953 PolarHBondContact O-N 3Å; R949-S953 PolarHBondContact O-OG 3.13Å; R949-D1041 WeakPolarHBondContact CD-OD2 3.49Å; R949-A1043 HydrophobicContact CG-CB 4.15Å; R949-F1044 HydrophobicContact CB-CE2 3.92Å; R949-F1044 HydrophobicContact CB-CZ 3.92Å; R949-F1044 HydrophobicContact CG-CE2 4.42Å
950	V	94.2	Very high	90.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-46.2	175.2	158.9	0	0	0	0	113	V831 L932 F934 M946 L947 N948 T954 S1005 F1044	V831-V950 HydrophobicContact CG1-CG1 3.86Å; V831-V950 HydrophobicContact CG2-CG1 4.08Å; L932-V950 HydrophobicContact CD2-CG1 4.34Å; F934-V950 HydrophobicContact CB-CG1 4.08Å; F934-V950 HydrophobicContact CD1-CG1 4.47Å; F934-V950 HydrophobicContact CD1-CG2 3.66Å; F934-V950 HydrophobicContact CD2-CG2 3.97Å; F934-V950 HydrophobicContact CE1-CG2 3.8Å; F934-V950 HydrophobicContact CE2-CG2 4.1Å; F934-V950 HydrophobicContact CG-CG1 4.25Å; F934-V950 HydrophobicContact CG-CG2 3.78Å; F934-V950 HydrophobicContact CZ-CG2 4.04Å; M946-V950 WeakPolarHBondContact O-CB 3.26Å; M946-V950 WeakPolarHBondContact O-CG2 3.23Å; M946-V950 PolarHBondContact O-N 3.12Å; L947-V950 PolarHBondContact O-N 2.91Å; N948-V950 PolarHBondContact O-N 3.38Å; V950-T954 WeakPolarHBondContact O-CB 3.35Å; V950-T954 PolarHBondContact O-N 3.19Å; V950-T954 PolarHBondContact O-OG1 3.49Å; V950-S1005 WeakPolarHBondContact CG1-OG 3.24Å; V950-F1044 HydrophobicContact CG2-CE1 4Å; V950-F1044 HydrophobicContact CG2-CZ 4.02Å
951	R	92.3	Very high	90.5	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-43.7	-179.9	-75.5	154.8	168.8	164.5	2.1	111.7	V825 E827 R829 V831 E861 N862 L947 N948 R949	V825-R951 WeakPolarHBondContact CG1-O 3.33Å; E827-R951 WeakPolarHBondContact O-CD 3.44Å; E827-R951 PolarHBondContact O-NE 2.98Å; E827-R951 VanDerWaalsContact O-NE 3.13Å; R829-R951 PolarHBondContact O-NE 3.12Å; V831-R951 HydrophobicContact CG2-CG 3.68Å; E861-R951 IonicContact OE1-NH1 2.66Å; E861-R951 IonicContact OE2-CZ 3.9Å; E861-R951 IonicContact OE2-NH1 2.68Å; E861-R951 PolarHBondContact OE2-NH1 3.33Å; E861-R951 VanDerWaalsContact OE2-NH1 3.13Å; E861-R951 IonicContact OE2-NH2 2.72Å; E861-R951 PolarHBondContact OE2-NH2 3.27Å; N862-R951 PolarHBondContact O-NH2 3.11Å; L947-R951 VanDerWaalsContact O-CB 3.32Å; L947-R951 WeakPolarHBondContact O-CB 3.47Å; L947-R951 WeakPolarHBondContact O-CD 3.46Å; L947-R951 WeakPolarHBondContact O-CG 3.22Å; L947-R951 PolarHBondContact O-N 2.91Å; N948-R951 PolarHBondContact O-N 3.4Å; N948-R951 WeakPolarHBondContact OD1-CD 3.28Å; N948-R951 PolarHBondContact OD1-NH1 2.68Å; R949-R951 PolarHBondContact O-N 2.95Å
952	L	89.7	Confident	90.8	Very high	78 Å²	78	37.3 Å²	37.3	41%	0.408	18%	0.182	S	C	.	.	H	α-helix	trans	-79.5	-37.8	-177.4	-66.8	173.1	0	0	0	113	E827 N948 R949	E827-L952 HydrophobicContact CG-CD1 4.48Å; E827-L952 HydrophobicContact CG-CD2 4.04Å; E827-L952 HydrophobicContact CG-CG 4.26Å; N948-L952 WeakPolarHBondContact O-CB 3.4Å; N948-L952 WeakPolarHBondContact O-CG 3.37Å; N948-L952 PolarHBondContact O-N 3.13Å; R949-L952 PolarHBondContact O-N 3.13Å
953	S	91.7	Very high	91.1	Very high	26 Å²	26	36.6 Å²	36.6	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-81.9	-8.9	-176.2	-72.6	0	0	0	0	114.7	R949 Q959	R949-S953 VanDerWaalsContact O-CB 3.27Å; R949-S953 WeakPolarHBondContact O-CB 3.42Å; R949-S953 PolarHBondContact O-N 3Å; R949-S953 PolarHBondContact O-OG 3.13Å; S953-Q959 PolarHBondContact O-NE2 3.45Å
954	T	94.1	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.			trans	-113.6	121.3	-177.4	-39.9	0	0	0	0	111.2	L932 V950 S1005 Y1007	L932-T954 HydrophobicContact CD1-CG2 3.53Å; V950-T954 WeakPolarHBondContact O-CB 3.35Å; V950-T954 PolarHBondContact O-N 3.19Å; V950-T954 PolarHBondContact O-OG1 3.49Å; T954-S1005 WeakPolarHBondContact OG1-CB 3.16Å; T954-S1005 PolarHBondContact OG1-OG 2.68Å; T954-Y1007 HydrophobicContact CG2-CD2 4Å; T954-Y1007 HydrophobicContact CG2-CE2 3.99Å; T954-Y1007 WeakPolarHBondContact O-CE2 3.39Å
955	I	91.5	Very high	92.3	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.067	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-129.8	117.1	-170.3	-48	-174.4	0	0	0	110	V822 P823 V825 K957 F958 Q959	V822-I955 HydrophobicContact CB-CD1 4.45Å; P823-I955 HydrophobicContact CB-CG2 3.78Å; P823-I955 HydrophobicContact CG-CG2 3.86Å; V825-I955 HydrophobicContact CG2-CD1 3.66Å; V825-I955 HydrophobicContact CG2-CG1 3.73Å; I955-K957 PolarHBondContact O-N 2.96Å; I955-F958 HydrophobicContact CB-CB 4.12Å; I955-F958 HydrophobicContact CB-CD1 4.19Å; I955-F958 HydrophobicContact CD1-CD1 4.01Å; I955-F958 HydrophobicContact CD1-CE1 4.43Å; I955-F958 HydrophobicContact CG2-CB 3.83Å; I955-F958 HydrophobicContact CG2-CD1 4.23Å; I955-F958 HydrophobicContact CG2-CG 4.38Å; I955-F958 PolarHBondContact O-N 3.42Å; I955-F958 VanDerWaalsContact O-N 3.08Å; I955-Q959 HydrophobicContact CB-CB 4.04Å; I955-Q959 HydrophobicContact CD1-CB 4.48Å; I955-Q959 HydrophobicContact CG1-CB 4.16Å; I955-Q959 PolarHBondContact N-O 2.89Å; I955-Q959 PolarHBondContact O-N 3.36Å
956	E	90.8	Very high	92.6	Very high	55 Å²	55	26.2 Å²	26.2	26%	0.257	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	130.5	-177.1	-155.3	-147.2	162	0	0	111.2	F958 Y1007 S1009 D1010	E956-F958 PolarHBondContact O-N 3.44Å; E956-Y1007 VanDerWaalsContact CA-CD2 3.46Å; E956-Y1007 HydrophobicContact CB-CD1 4.05Å; E956-Y1007 HydrophobicContact CB-CD2 3.7Å; E956-Y1007 HydrophobicContact CB-CE1 4.31Å; E956-Y1007 HydrophobicContact CB-CE2 4Å; E956-Y1007 HydrophobicContact CB-CG 3.74Å; E956-Y1007 HydrophobicContact CG-CD1 3.86Å; E956-Y1007 HydrophobicContact CG-CD2 4.05Å; E956-Y1007 HydrophobicContact CG-CG 3.59Å; E956-Y1007 VanDerWaalsContact N-CE2 3.34Å; E956-S1009 WeakPolarHBondContact CG-OG 3.42Å; E956-S1009 WeakPolarHBondContact OE1-CB 3.46Å; E956-S1009 PolarHBondContact OE1-OG 2.76Å; E956-D1010 WeakPolarHBondContact CA-OD2 3.38Å
957	K	89.1	Confident	92.6	Very high	114 Å²	114	26.2 Å²	26.2	50%	0.496	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	15.4	-178.5	-40.8	-176.4	-177.5	79.1	0	114.8	I955 D1010	I955-K957 PolarHBondContact O-N 2.96Å; K957-D1010 VanDerWaalsContact CA-OD1 3.24Å; K957-D1010 WeakPolarHBondContact CA-OD1 3.26Å; K957-D1010 VanDerWaalsContact N-CG 3.3Å; K957-D1010 PolarHBondContact N-OD1 3.28Å; K957-D1010 PolarHBondContact N-OD2 3.27Å
958	F	90.3	Very high	92.6	Very high	77 Å²	77	28.9 Å²	28.9	34%	0.338	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	-45.6	-176.1	-175.9	-93	0	0	0	114.4	V822 P823 I955 E956 V1034 H1035	V822-F958 HydrophobicContact CB-CE1 4.32Å; V822-F958 HydrophobicContact CG1-CE1 4.03Å; V822-F958 HydrophobicContact CG1-CZ 4.29Å; P823-F958 HydrophobicContact CG-CB 4.08Å; P823-F958 HydrophobicContact CG-CD1 4.14Å; P823-F958 HydrophobicContact CG-CD2 3.98Å; P823-F958 HydrophobicContact CG-CE2 4.46Å; P823-F958 HydrophobicContact CG-CG 3.8Å; I955-F958 HydrophobicContact CB-CB 4.12Å; I955-F958 HydrophobicContact CB-CD1 4.19Å; I955-F958 HydrophobicContact CD1-CD1 4.01Å; I955-F958 HydrophobicContact CD1-CE1 4.43Å; I955-F958 HydrophobicContact CG2-CB 3.83Å; I955-F958 HydrophobicContact CG2-CD1 4.23Å; I955-F958 HydrophobicContact CG2-CG 4.38Å; I955-F958 PolarHBondContact O-N 3.42Å; I955-F958 VanDerWaalsContact O-N 3.08Å; E956-F958 PolarHBondContact O-N 3.44Å; F958-V1034 VanDerWaalsContact C-CG1 3.41Å; F958-V1034 WeakPolarHBondContact O-CG1 3.46Å; F958-H1035 WeakPolarHBondContact O-CB 3.47Å; F958-H1035 PolarHBondContact O-N 2.86Å
959	Q	92.9	Very high	92.5	Very high	21 Å²	21	27.9 Å²	27.9	10%	0.098	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	130.6	-175.5	-174	170.5	-88.8	0	0	114.1	S953 I955 H1035 L1037	S953-Q959 PolarHBondContact O-NE2 3.45Å; I955-Q959 HydrophobicContact CB-CB 4.04Å; I955-Q959 HydrophobicContact CD1-CB 4.48Å; I955-Q959 HydrophobicContact CG1-CB 4.16Å; I955-Q959 PolarHBondContact N-O 2.89Å; I955-Q959 PolarHBondContact O-N 3.36Å; Q959-H1035 CarbonylContact C-O 3.5Å; Q959-H1035 WeakPolarHBondContact CA-O 3.43Å; Q959-H1035 HydrophobicContact CB-CB 4.39Å; Q959-H1035 HydrophobicContact CG-CB 4.36Å; Q959-H1035 PolarHBondContact OE1-ND1 3.19Å; Q959-L1037 HydrophobicContact CG-CB 3.91Å
960	V	94	Very high	92.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	146.1	168.9	166.9	0	0	0	0	108.9	F962 S1005 F1006 F1028 V1034 H1035 L1037	V960-F962 HydrophobicContact CG1-CD2 3.91Å; V960-F962 HydrophobicContact CG1-CE2 3.43Å; V960-F962 VanDerWaalsContact CG1-CE2 3.43Å; V960-F962 HydrophobicContact CG1-CZ 4.24Å; V960-S1005 WeakPolarHBondContact CG1-O 3.4Å; V960-F1006 HydrophobicContact CG1-CB 4.14Å; V960-F1006 HydrophobicContact CG2-CB 3.92Å; V960-F1028 HydrophobicContact CG1-CD2 3.85Å; V960-F1028 HydrophobicContact CG1-CE2 4.01Å; V960-F1028 HydrophobicContact CG1-CG 4.19Å; V960-F1028 HydrophobicContact CG1-CZ 4.49Å; V960-F1028 HydrophobicContact CG2-CD1 3.88Å; V960-F1028 HydrophobicContact CG2-CD2 4.44Å; V960-F1028 HydrophobicContact CG2-CE1 3.81Å; V960-F1028 HydrophobicContact CG2-CE2 4.37Å; V960-F1028 HydrophobicContact CG2-CG 4.2Å; V960-F1028 HydrophobicContact CG2-CZ 4.05Å; V960-V1034 HydrophobicContact CG2-CG1 3.98Å; V960-H1035 PolarHBondContact N-O 3.3Å; V960-L1037 PolarHBondContact O-N 3.2Å
961	F	95.6	Very high	91.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.9	-173.5	177.2	-128.1	0	0	0	112.3	P963 S1005 L1037 F1044	F961-P963 HydrophobicContact CD1-CG 4.47Å; F961-P963 HydrophobicContact CE1-CB 3.93Å; F961-P963 HydrophobicContact CE1-CG 3.99Å; F961-P963 HydrophobicContact CE2-CB 4.36Å; F961-P963 HydrophobicContact CZ-CB 3.71Å; F961-P963 HydrophobicContact CZ-CG 4.26Å; F961-S1005 PolarHBondContact N-O 2.76Å; F961-S1005 PolarHBondContact O-N 3.43Å; F961-L1037 WeakPolarHBondContact CA-O 3.26Å; F961-L1037 HydrophobicContact CD2-CB 4.33Å; F961-L1037 HydrophobicContact CD2-CD2 3.87Å; F961-L1037 HydrophobicContact CD2-CG 4.05Å; F961-L1037 WeakPolarHBondContact CD2-O 3.39Å; F961-L1037 HydrophobicContact CE2-CD2 4.32Å; F961-F1044 HydrophobicContact CE1-CE1 4.49Å; F961-F1044 HydrophobicContact CE1-CE2 4.02Å; F961-F1044 AromaticContact CE1-CZ 3.69Å; F961-F1044 HydrophobicContact CE1-CZ 3.69Å; F961-F1044 HydrophobicContact CZ-CE2 4.05Å; F961-F1044 HydrophobicContact CZ-CZ 4.2Å
962	F	95.6	Very high	90.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	90.3	175.2	-74.5	-88.7	0	0	0	109.3	V960 V964 A1004 L1024 F1025 F1028 V1036 L1037 R1038 V1039	V960-F962 HydrophobicContact CG1-CD2 3.91Å; V960-F962 HydrophobicContact CG1-CE2 3.43Å; V960-F962 VanDerWaalsContact CG1-CE2 3.43Å; V960-F962 HydrophobicContact CG1-CZ 4.24Å; F962-V964 PolarHBondContact O-N 3.24Å; F962-A1004 HydrophobicContact CD1-CB 3.75Å; F962-A1004 HydrophobicContact CE1-CB 3.42Å; F962-A1004 VanDerWaalsContact CE1-CB 3.42Å; F962-A1004 HydrophobicContact CZ-CB 4.13Å; F962-L1024 HydrophobicContact CE1-CG 4.43Å; F962-L1024 HydrophobicContact CZ-CG 4.24Å; F962-F1025 HydrophobicContact CD1-CD2 4.2Å; F962-F1025 AromaticContact CD2-CD2 3.81Å; F962-F1025 HydrophobicContact CD2-CD2 3.81Å; F962-F1025 HydrophobicContact CD2-CE2 4.37Å; F962-F1025 HydrophobicContact CE1-CB 4.03Å; F962-F1025 HydrophobicContact CE1-CD2 4.3Å; F962-F1025 AromaticContact CE2-CD2 3.91Å; F962-F1025 HydrophobicContact CE2-CD2 3.91Å; F962-F1025 AromaticContact CG-CD2 3.95Å; F962-F1025 HydrophobicContact CG-CD2 3.95Å; F962-F1025 HydrophobicContact CZ-CB 4.05Å; F962-F1025 HydrophobicContact CZ-CD2 4.17Å; F962-F1028 HydrophobicContact CE2-CD2 4.06Å; F962-F1028 AromaticContact CZ-CD2 3.97Å; F962-F1028 HydrophobicContact CZ-CD2 3.97Å; F962-V1036 HydrophobicContact CD2-CG1 3.67Å; F962-V1036 HydrophobicContact CE2-CG1 3.89Å; F962-L1037 PolarHBondContact N-O 2.99Å; F962-R1038 HydrophobicContact CB-CB 4.37Å; F962-R1038 HydrophobicContact CB-CG 4.36Å; F962-R1038 WeakPolarHBondContact O-CA 3.34Å; F962-V1039 PolarHBondContact O-N 3.23Å
963	P	96.1	Very high	89.7	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132.2	175.3	26.2	-31.5	0	0	0	110	F934 F961 P965 L1003 F1044	F934-P963 HydrophobicContact CE2-CG 4.41Å; F961-P963 HydrophobicContact CD1-CG 4.47Å; F961-P963 HydrophobicContact CE1-CB 3.93Å; F961-P963 HydrophobicContact CE1-CG 3.99Å; F961-P963 HydrophobicContact CE2-CB 4.36Å; F961-P963 HydrophobicContact CZ-CB 3.71Å; F961-P963 HydrophobicContact CZ-CG 4.26Å; P963-P965 WeakPolarHBondContact O-CD 3.46Å; P963-L1003 HydrophobicContact CG-CB 3.86Å; P963-L1003 HydrophobicContact CG-CD1 4.19Å; P963-F1044 HydrophobicContact CB-CB 4.27Å; P963-F1044 HydrophobicContact CB-CD1 3.83Å; P963-F1044 HydrophobicContact CB-CD2 3.55Å; P963-F1044 HydrophobicContact CB-CE1 4.01Å; P963-F1044 HydrophobicContact CB-CE2 3.77Å; P963-F1044 HydrophobicContact CB-CG 3.59Å; P963-F1044 HydrophobicContact CB-CZ 4Å; P963-F1044 HydrophobicContact CG-CD1 3.69Å; P963-F1044 HydrophobicContact CG-CD2 4.31Å; P963-F1044 HydrophobicContact CG-CE1 3.73Å; P963-F1044 HydrophobicContact CG-CE2 4.36Å; P963-F1044 HydrophobicContact CG-CG 4Å; P963-F1044 HydrophobicContact CG-CZ 4.09Å
964	V	94.8	Very high	88.6	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.024	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.5	170.2	171.6	0	0	0	0	107.1	F962 F996 L998 R1038 V1039 V1040 D1041	F962-V964 PolarHBondContact O-N 3.24Å; V964-F996 HydrophobicContact CG1-CB 4.45Å; V964-L998 HydrophobicContact CG1-CD2 3.99Å; V964-R1038 HydrophobicContact CG2-CG 3.66Å; V964-V1039 PolarHBondContact N-O 3.09Å; V964-V1040 HydrophobicContact CB-CG2 4.16Å; V964-V1040 HydrophobicContact CG1-CG2 3.99Å; V964-D1041 PolarHBondContact O-N 3.12Å
965	P	94.3	Very high	87.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	159.8	-167.1	35.2	-35.8	0	0	0	112.9	P963 I967 F996 D997 L1003 F1044 L1046	P963-P965 WeakPolarHBondContact O-CD 3.46Å; P965-I967 HydrophobicContact CG-CG1 4.4Å; P965-F996 WeakPolarHBondContact O-CA 3.15Å; P965-D997 PolarHBondContact O-N 3.24Å; P965-D997 VanDerWaalsContact O-N 3.14Å; P965-L1003 HydrophobicContact CB-CD1 3.94Å; P965-L1003 HydrophobicContact CG-CD1 4.2Å; P965-F1044 CarbonylContact C-O 3.44Å; P965-F1044 WeakPolarHBondContact CA-O 3.07Å; P965-F1044 HydrophobicContact CB-CB 3.97Å; P965-F1044 WeakPolarHBondContact CB-O 3.37Å; P965-L1046 HydrophobicContact CB-CD1 3.56Å; P965-L1046 HydrophobicContact CG-CD1 3.77Å
966	F	92.8	Very high	85.4	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.4	166.4	-169.5	-98.8	0	0	0	110.2	R968 F987 I989 G994 H995 F996 F1044 R1045 L1046	F966-R968 HydrophobicContact CE1-CG 4.49Å; F966-F987 HydrophobicContact CD1-CE1 4.07Å; F966-F987 AromaticContact CE1-CE1 3.67Å; F966-F987 HydrophobicContact CE1-CE1 3.67Å; F966-F987 AromaticContact CE1-CZ 3.91Å; F966-F987 HydrophobicContact CE1-CZ 3.91Å; F966-I989 HydrophobicContact CD1-CG1 4.11Å; F966-I989 HydrophobicContact CD2-CG2 3.81Å; F966-I989 HydrophobicContact CE1-CG1 4.24Å; F966-I989 HydrophobicContact CE2-CG2 3.63Å; F966-I989 HydrophobicContact CG-CD1 4.45Å; F966-I989 HydrophobicContact CG-CG1 4.24Å; F966-I989 HydrophobicContact CG-CG2 4.34Å; F966-I989 HydrophobicContact CZ-CB 4.49Å; F966-I989 HydrophobicContact CZ-CG1 4.49Å; F966-I989 HydrophobicContact CZ-CG2 4.01Å; F966-G994 VanDerWaalsContact CE2-C 3.45Å; F966-H995 CarbonylContact C-O 3.56Å; F966-H995 WeakPolarHBondContact CA-O 3.46Å; F966-H995 WeakPolarHBondContact CD2-O 3.3Å; F966-F996 HydrophobicContact CB-CD1 3.86Å; F966-F996 HydrophobicContact CB-CE1 3.66Å; F966-F996 HydrophobicContact CB-CZ 4.28Å; F966-F996 HydrophobicContact CD2-CD1 4.09Å; F966-F996 HydrophobicContact CD2-CD2 4.04Å; F966-F996 HydrophobicContact CD2-CE1 4Å; F966-F996 AromaticContact CD2-CE2 3.93Å; F966-F996 HydrophobicContact CD2-CE2 3.93Å; F966-F996 HydrophobicContact CD2-CG 4.13Å; F966-F996 AromaticContact CD2-CZ 3.92Å; F966-F996 HydrophobicContact CD2-CZ 3.92Å; F966-F996 HydrophobicContact CG-CE1 4.32Å; F966-F1044 PolarHBondContact N-O 3.36Å; F966-R1045 CarbonylContact O-C 3.58Å; F966-R1045 VanDerWaalsContact O-CA 3.28Å; F966-R1045 WeakPolarHBondContact O-CA 3.28Å; F966-L1046 PolarHBondContact O-N 3.28Å
967	I	91.3	Very high	83.5	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.9	175.6	-55.3	-159.9	0	0	0	109	P965 G994 H995 D997 L1046 P1049	P965-I967 HydrophobicContact CG-CG1 4.4Å; I967-G994 CarbonylContact O-C 3.56Å; I967-G994 WeakPolarHBondContact O-CA 3.25Å; I967-H995 PolarHBondContact N-O 2.83Å; I967-H995 PolarHBondContact O-N 3.1Å; I967-D997 HydrophobicContact CB-CB 4.49Å; I967-D997 HydrophobicContact CD1-CB 3.44Å; I967-D997 VanDerWaalsContact CD1-CB 3.44Å; I967-D997 WeakPolarHBondContact CD1-OD2 3.21Å; I967-D997 HydrophobicContact CG1-CB 3.69Å; I967-L1046 HydrophobicContact CD1-CD2 4.47Å; I967-L1046 HydrophobicContact CG1-CB 4.24Å; I967-P1049 HydrophobicContact CG2-CG 3.76Å
968	R	90	Very high	81.5	Confident	56 Å²	56	38.2 Å²	38.2	21%	0.211	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	150.4	175.6	-65.3	176.1	59.2	171.8	-0.9	110.6	E941 F966 F987 S993 L1046 H1048	E941-R968 VanDerWaalsContact OE1-CD 3.27Å; E941-R968 WeakPolarHBondContact OE1-CD 3.43Å; E941-R968 IonicContact OE1-CZ 3.02Å; E941-R968 IonicContact OE1-NE 2.74Å; E941-R968 IonicContact OE1-NH1 3.11Å; E941-R968 PolarHBondContact OE1-NH1 2.97Å; F966-R968 HydrophobicContact CE1-CG 4.49Å; R968-F987 HydrophobicContact CG-CE1 4.29Å; R968-F987 HydrophobicContact CG-CE2 4.25Å; R968-F987 HydrophobicContact CG-CZ 3.75Å; R968-S993 WeakPolarHBondContact CA-O 3.36Å; R968-L1046 WeakPolarHBondContact CG-O 3.41Å; R968-L1046 PolarHBondContact N-O 2.57Å; R968-H1048 VanDerWaalsContact O-CB 3.29Å; R968-H1048 WeakPolarHBondContact O-CB 3.48Å
969	Y	88.8	Confident	79.5	Confident	20 Å²	20	37 Å²	37	8%	0.078	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-76.7	161.2	174.1	-60.2	-56.6	0	0	0	112.9	T971 A974 R991 S993 G994 H995 E1071 S1072 G1074	Y969-T971 PolarHBondContact O-N 3.02Å; Y969-A974 HydrophobicContact CD2-CB 4.16Å; Y969-A974 HydrophobicContact CG-CB 4.2Å; Y969-R991 VanDerWaalsContact CE2-O 3.25Å; Y969-R991 WeakPolarHBondContact CE2-O 3.42Å; Y969-R991 PolarHBondContact OH-O 2.9Å; Y969-S993 PolarHBondContact N-O 2.84Å; Y969-G994 VanDerWaalsContact CE2-N 3.33Å; Y969-G994 PolarHBondContact OH-O 2.65Å; Y969-H995 HydrophobicContact CE1-CB 4.45Å; Y969-H995 AromaticContact CE1-ND1 3.6Å; Y969-E1071 WeakPolarHBondContact CE1-O 3.2Å; Y969-S1072 CarbonylContact C-O 3.56Å; Y969-S1072 VanDerWaalsContact CA-O 3.26Å; Y969-S1072 WeakPolarHBondContact CA-O 3.46Å; Y969-G1074 VanDerWaalsContact CD1-CA 3.46Å
970	S	83.8	Confident	77.2	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.035	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58	130.9	169.5	177.7	0	0	0	0	111.7	E972 A974 H1048 S1072	S970-E972 PolarHBondContact O-N 2.99Å; S970-E972 PolarHBondContact OG-N 3.27Å; S970-A974 CarbonylContact O-C 3.53Å; S970-A974 WeakPolarHBondContact O-CA 3.34Å; S970-A974 WeakPolarHBondContact O-CB 3.42Å; S970-A974 PolarHBondContact O-N 3.37Å; S970-H1048 PolarHBondContact N-ND1 3.1Å; S970-S1072 PolarHBondContact N-O 3.34Å
971	T	78.2	Confident	75	Confident	98 Å²	98	52.1 Å²	52.1	60%	0.601	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.2	175.7	44.4	0	0	0	0	113.9	Y969	Y969-T971 PolarHBondContact O-N 3.02Å
972	E	75.2	Confident	72.6	Confident	145 Å²	145	56.3 Å²	56.3	68%	0.678	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-43.5	178.9	-57.1	-170	148	0	0	112.3	S970	S970-E972 PolarHBondContact O-N 2.99Å; S970-E972 PolarHBondContact OG-N 3.27Å
973	F	72.8	Confident	70.4	Confident	58 Å²	58	62.4 Å²	62.4	25%	0.254	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-29.4	-177.5	-54.5	-77.7	0	0	0	112.7	P975 L1073 L1079 F1082	F973-P975 VanDerWaalsContact C-CD 3.41Å; F973-P975 WeakPolarHBondContact O-CD 3.29Å; F973-L1073 HydrophobicContact CD2-CB 4.35Å; F973-L1073 HydrophobicContact CD2-CD2 4.05Å; F973-L1073 HydrophobicContact CE2-CD2 3.96Å; F973-L1079 HydrophobicContact CB-CD2 4Å; F973-F1082 AromaticContact CD1-CD1 3.94Å; F973-F1082 HydrophobicContact CD1-CD1 3.94Å; F973-F1082 HydrophobicContact CD1-CD2 4.22Å; F973-F1082 AromaticContact CD1-CE1 3.63Å; F973-F1082 HydrophobicContact CD1-CE1 3.63Å; F973-F1082 AromaticContact CD1-CE2 3.92Å; F973-F1082 HydrophobicContact CD1-CE2 3.92Å; F973-F1082 HydrophobicContact CD1-CG 4.22Å; F973-F1082 AromaticContact CD1-CZ 3.6Å; F973-F1082 HydrophobicContact CD1-CZ 3.6Å; F973-F1082 HydrophobicContact CE1-CD1 4.43Å; F973-F1082 AromaticContact CE1-CE1 3.71Å; F973-F1082 HydrophobicContact CE1-CE1 3.71Å; F973-F1082 HydrophobicContact CE1-CE2 4.39Å; F973-F1082 AromaticContact CE1-CZ 3.68Å; F973-F1082 HydrophobicContact CE1-CZ 3.68Å
974	A	68.8	Low	68.2	Low	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.39	C	S	.	.	S	Bend	trans	-120.3	70	178.5	0	0	0	0	0	110.8	Y969 S970 T976 Q1078	Y969-A974 HydrophobicContact CD2-CB 4.16Å; Y969-A974 HydrophobicContact CG-CB 4.2Å; S970-A974 CarbonylContact O-C 3.53Å; S970-A974 WeakPolarHBondContact O-CA 3.34Å; S970-A974 WeakPolarHBondContact O-CB 3.42Å; S970-A974 PolarHBondContact O-N 3.37Å; A974-T976 PolarHBondContact O-N 2.98Å; A974-Q1078 HydrophobicContact CB-CB 4.45Å; A974-Q1078 HydrophobicContact CB-CG 4.49Å
975	P	64.3	Low	66.1	Low	89 Å²	89	75.4 Å²	75.4	58%	0.578	42%	0.418	S	S	*	.			trans	-60.3	108.8	177.1	25	-34.2	0	0	0	110.2	F973 T977	F973-P975 VanDerWaalsContact C-CD 3.41Å; F973-P975 WeakPolarHBondContact O-CD 3.29Å; P975-T977 PolarHBondContact O-N 3.5Å
976	T	54.5	Low	64.4	Low	23 Å²	23	84.1 Å²	84.1	14%	0.141	46%	0.459	C	S	.	.			trans	-71.9	102	-175.8	36.1	0	0	0	0	110.3	A974 A978 A979	A974-T976 PolarHBondContact O-N 2.98Å; T976-A978 PolarHBondContact O-N 3.05Å; T976-A979 WeakPolarHBondContact O-CB 3.49Å; T976-A979 PolarHBondContact O-N 2.82Å; T976-A979 WeakPolarHBondContact OG1-CB 3.49Å
977	T	49.3	Very low	63.2	Low	128 Å²	128	86.3 Å²	86.3	79%	0.785	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.9	-179.3	54.7	0	0	0	0	114.4	P975	P975-T977 PolarHBondContact O-N 3.5Å
978	A	47.5	Very low	62.4	Low	70 Å²	70	92 Å²	92	58%	0.579	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-34.5	173.1	0	0	0	0	0	114	T976 N980 K981	T976-A978 PolarHBondContact O-N 3.05Å; A978-N980 VanDerWaalsContact C-N 3.28Å; A978-N980 PolarHBondContact O-N 3.16Å; A978-K981 PolarHBondContact O-N 3.03Å; A978-K981 VanDerWaalsContact O-N 3.16Å
979	A	48.3	Very low	61.9	Low	52 Å²	52	91.5 Å²	91.5	43%	0.43	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.7	-172.5	0	0	0	0	0	112.8	T976 K981	T976-A979 WeakPolarHBondContact O-CB 3.49Å; T976-A979 PolarHBondContact O-N 2.82Å; T976-A979 WeakPolarHBondContact OG1-CB 3.49Å; A979-K981 VanDerWaalsContact C-N 3.31Å; A979-K981 PolarHBondContact O-N 2.92Å
980	N	44.1	Very low	61.6	Low	159 Å²	159	93.8 Å²	93.8	85%	0.85	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	5.2	179.6	-73.7	-2.2	0	0	0	114.5	A978	A978-N980 VanDerWaalsContact C-N 3.28Å; A978-N980 PolarHBondContact O-N 3.16Å
981	K	49.1	Very low	61.5	Low	180 Å²	180	101.9 Å²	101.9	78%	0.783	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-40.3	-179.1	-76.1	-166.8	172.9	-174.4	0	114.8	A978 A979	A978-K981 PolarHBondContact O-N 3.03Å; A978-K981 VanDerWaalsContact O-N 3.16Å; A979-K981 VanDerWaalsContact C-N 3.31Å; A979-K981 PolarHBondContact O-N 2.92Å
982	D	45.8	Very low	61.6	Low	89 Å²	89	100.4 Å²	100.4	48%	0.476	53%	0.531	S	S	.	.			trans	-160.5	114.7	173	-144.7	-39.4	0	0	0	111.7	K984 S985	D982-K984 PolarHBondContact O-N 3.09Å; D982-K984 PolarHBondContact OD1-N 3.08Å; D982-S985 VanDerWaalsContact O-CB 3.25Å; D982-S985 WeakPolarHBondContact O-CB 3.43Å; D982-S985 PolarHBondContact O-N 3.25Å
983	P	48.7	Very low	62	Low	129 Å²	129	93.8 Å²	93.8	84%	0.838	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.3	177.3	30.3	-35.7	0	0	0	112.9
984	K	48.9	Very low	62.7	Low	191 Å²	191	91.1 Å²	91.1	83%	0.83	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-7.3	169	-69.1	-177.2	177.1	179.4	0	113.5	D982	D982-K984 PolarHBondContact O-N 3.09Å; D982-K984 PolarHBondContact OD1-N 3.08Å
985	S	50.6	Low	63.7	Low	87 Å²	87	92.7 Å²	92.7	61%	0.608	50%	0.497	S	S	*	.	S	Bend	trans	-68.3	133.4	176	-157.9	0	0	0	0	110.1	D982 F987	D982-S985 VanDerWaalsContact O-CB 3.25Å; D982-S985 WeakPolarHBondContact O-CB 3.43Å; D982-S985 PolarHBondContact O-N 3.25Å; S985-F987 PolarHBondContact O-N 3.3Å
986	Q	59.6	Low	65	Low	182 Å²	182	91.5 Å²	91.5	85%	0.85	48%	0.483	S	S	*	.			trans	-60.9	125.5	174	-73	-177.9	-20.2	0	0	109.6	N988	Q986-N988 PolarHBondContact O-N 3.24Å
987	F	68.1	Low	66.7	Low	51 Å²	51	90.4 Å²	90.4	22%	0.224	48%	0.476	C	S	.	.			trans	-58.7	113.4	178.5	178	-91.2	0	0	0	110.3	F966 R968 S985 I989 S993 R1045	F966-F987 HydrophobicContact CD1-CE1 4.07Å; F966-F987 AromaticContact CE1-CE1 3.67Å; F966-F987 HydrophobicContact CE1-CE1 3.67Å; F966-F987 AromaticContact CE1-CZ 3.91Å; F966-F987 HydrophobicContact CE1-CZ 3.91Å; R968-F987 HydrophobicContact CG-CE1 4.29Å; R968-F987 HydrophobicContact CG-CE2 4.25Å; R968-F987 HydrophobicContact CG-CZ 3.75Å; S985-F987 PolarHBondContact O-N 3.3Å; F987-I989 HydrophobicContact CD1-CG1 4.28Å; F987-I989 HydrophobicContact CE1-CG1 4.08Å; F987-S993 WeakPolarHBondContact CZ-OG 3.24Å; F987-R1045 PolarHBondContact O-NH1 3.23Å
988	N	72.9	Confident	68.5	Low	119 Å²	119	89.8 Å²	89.8	64%	0.636	47%	0.468	S	S	*	.			trans	-88.5	122.1	-178	-168.4	3.5	0	0	0	110.5	Q986 N990 S993	Q986-N988 PolarHBondContact O-N 3.24Å; N988-N990 PolarHBondContact O-N 2.89Å; N988-N990 PolarHBondContact O-ND2 2.88Å; N988-S993 PolarHBondContact O-OG 3.38Å
989	I	81.1	Confident	70.4	Confident	47 Å²	47	89.1 Å²	89.1	24%	0.241	45%	0.454	C	S	.	.			trans	-76.1	112.4	178.1	-73.8	169.1	0	0	0	108.3	F966 F987 F996	F966-I989 HydrophobicContact CD1-CG1 4.11Å; F966-I989 HydrophobicContact CD2-CG2 3.81Å; F966-I989 HydrophobicContact CE1-CG1 4.24Å; F966-I989 HydrophobicContact CE2-CG2 3.63Å; F966-I989 HydrophobicContact CG-CD1 4.45Å; F966-I989 HydrophobicContact CG-CG1 4.24Å; F966-I989 HydrophobicContact CG-CG2 4.34Å; F966-I989 HydrophobicContact CZ-CB 4.49Å; F966-I989 HydrophobicContact CZ-CG1 4.49Å; F966-I989 HydrophobicContact CZ-CG2 4.01Å; F987-I989 HydrophobicContact CD1-CG1 4.28Å; F987-I989 HydrophobicContact CE1-CG1 4.08Å; I989-F996 HydrophobicContact CG2-CE2 4.4Å; I989-F996 HydrophobicContact CG2-CZ 4.31Å
990	N	82.2	Confident	72.3	Confident	67 Å²	67	86.7 Å²	86.7	36%	0.358	43%	0.434	S	S	.	.			trans	-147.1	165.2	175.3	69.2	62.2	0	0	0	110.5	N988 D992 S993 G994	N988-N990 PolarHBondContact O-N 2.89Å; N988-N990 PolarHBondContact O-ND2 2.88Å; N990-D992 PolarHBondContact O-N 3.41Å; N990-D992 WeakPolarHBondContact OD1-CA 3.33Å; N990-D992 PolarHBondContact OD1-N 3.33Å; N990-S993 PolarHBondContact N-OG 2.98Å; N990-S993 VanDerWaalsContact N-OG 3.14Å; N990-S993 PolarHBondContact O-N 2.88Å; N990-S993 PolarHBondContact O-OG 3.32Å; N990-S993 PolarHBondContact OD1-N 3.34Å; N990-G994 PolarHBondContact O-N 3.02Å
991	R	80.9	Confident	74.3	Confident	175 Å²	175	81.2 Å²	81.2	66%	0.66	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.5	-175.4	-167.2	-156.7	62.9	-170.3	-7.8	114.2	Y969	Y969-R991 VanDerWaalsContact CE2-O 3.25Å; Y969-R991 WeakPolarHBondContact CE2-O 3.42Å; Y969-R991 PolarHBondContact OH-O 2.9Å
992	D	80.7	Confident	76	Confident	67 Å²	67	74.8 Å²	74.8	36%	0.358	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-3.9	-175.8	-47.7	-26.8	0	0	0	111.6	N990 Q1078	N990-D992 PolarHBondContact O-N 3.41Å; N990-D992 WeakPolarHBondContact OD1-CA 3.33Å; N990-D992 PolarHBondContact OD1-N 3.33Å; D992-Q1078 PolarHBondContact O-NE2 3.43Å
993	S	83.4	Confident	78.3	Confident	7 Å²	7	70.6 Å²	70.6	5%	0.049	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-14.9	174.3	69.8	0	0	0	0	114.1	R968 Y969 F987 N988 N990	R968-S993 WeakPolarHBondContact CA-O 3.36Å; Y969-S993 PolarHBondContact N-O 2.84Å; F987-S993 WeakPolarHBondContact CZ-OG 3.24Å; N988-S993 PolarHBondContact O-OG 3.38Å; N990-S993 PolarHBondContact N-OG 2.98Å; N990-S993 VanDerWaalsContact N-OG 3.14Å; N990-S993 PolarHBondContact O-N 2.88Å; N990-S993 PolarHBondContact O-OG 3.32Å; N990-S993 PolarHBondContact OD1-N 3.34Å
994	G	88.2	Confident	80.4	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-167	176.5	0	0	0	0	0	112.4	F966 I967 Y969 N990	F966-G994 VanDerWaalsContact CE2-C 3.45Å; I967-G994 CarbonylContact O-C 3.56Å; I967-G994 WeakPolarHBondContact O-CA 3.25Å; Y969-G994 VanDerWaalsContact CE2-N 3.33Å; Y969-G994 PolarHBondContact OH-O 2.65Å; N990-G994 PolarHBondContact O-N 3.02Å
995	H	89.5	Confident	82.6	Confident	33 Å²	33	55.4 Å²	55.4	15%	0.153	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	171.2	174.9	70.6	-81.9	0	0	0	111	F966 I967 Y969 E1071	F966-H995 CarbonylContact C-O 3.56Å; F966-H995 WeakPolarHBondContact CA-O 3.46Å; F966-H995 WeakPolarHBondContact CD2-O 3.3Å; I967-H995 PolarHBondContact N-O 2.83Å; I967-H995 PolarHBondContact O-N 3.1Å; Y969-H995 HydrophobicContact CE1-CB 4.45Å; Y969-H995 AromaticContact CE1-ND1 3.6Å; H995-E1071 PolarHBondContact CE1-O 3.37Å; H995-E1071 VanDerWaalsContact CE1-O 3.26Å; H995-E1071 PolarHBondContact ND1-O 2.9Å
996	F	91.1	Very high	84.7	Confident	64 Å²	64	51.2 Å²	51.2	28%	0.281	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.5	171.3	-70.4	-78.4	0	0	0	110.1	V964 P965 F966 I989 L998 V1040	V964-F996 HydrophobicContact CG1-CB 4.45Å; P965-F996 WeakPolarHBondContact O-CA 3.15Å; F966-F996 HydrophobicContact CB-CD1 3.86Å; F966-F996 HydrophobicContact CB-CE1 3.66Å; F966-F996 HydrophobicContact CB-CZ 4.28Å; F966-F996 HydrophobicContact CD2-CD1 4.09Å; F966-F996 HydrophobicContact CD2-CD2 4.04Å; F966-F996 HydrophobicContact CD2-CE1 4Å; F966-F996 AromaticContact CD2-CE2 3.93Å; F966-F996 HydrophobicContact CD2-CE2 3.93Å; F966-F996 HydrophobicContact CD2-CG 4.13Å; F966-F996 AromaticContact CD2-CZ 3.92Å; F966-F996 HydrophobicContact CD2-CZ 3.92Å; F966-F996 HydrophobicContact CG-CE1 4.32Å; I989-F996 HydrophobicContact CG2-CE2 4.4Å; I989-F996 HydrophobicContact CG2-CZ 4.31Å; F996-L998 PolarHBondContact O-N 2.92Å; F996-L998 VanDerWaalsContact O-N 3.11Å; F996-V1040 HydrophobicContact CB-CG1 4.12Å; F996-V1040 HydrophobicContact CD1-CG1 3.44Å; F996-V1040 VanDerWaalsContact CD1-CG1 3.44Å; F996-V1040 HydrophobicContact CD2-CG1 3.76Å; F996-V1040 HydrophobicContact CE1-CG1 3.61Å; F996-V1040 HydrophobicContact CE2-CG1 3.93Å; F996-V1040 HydrophobicContact CG-CG1 3.51Å; F996-V1040 HydrophobicContact CZ-CG1 3.85Å
997	D	89.6	Confident	86.4	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.207	C	C	.	.			trans	-79.8	93.4	-174.2	178.6	-5.7	0	0	0	110.6	P965 I967 L999 S1000 R1051 Q1068	P965-D997 PolarHBondContact O-N 3.24Å; P965-D997 VanDerWaalsContact O-N 3.14Å; I967-D997 HydrophobicContact CB-CB 4.49Å; I967-D997 HydrophobicContact CD1-CB 3.44Å; I967-D997 VanDerWaalsContact CD1-CB 3.44Å; I967-D997 WeakPolarHBondContact CD1-OD2 3.21Å; I967-D997 HydrophobicContact CG1-CB 3.69Å; D997-L999 PolarHBondContact O-N 2.61Å; D997-L999 VanDerWaalsContact O-N 3.13Å; D997-L999 WeakPolarHBondContact OD1-CA 3.26Å; D997-L999 WeakPolarHBondContact OD1-CB 3.09Å; D997-L999 PolarHBondContact OD1-N 2.79Å; D997-S1000 PolarHBondContact O-N 3.43Å; D997-S1000 VanDerWaalsContact O-N 3.09Å; D997-S1000 PolarHBondContact OD1-N 2.86Å; D997-R1051 IonicContact OD2-NH2 3.95Å; D997-R1051 PolarHBondContact OD2-NH2 3.43Å; D997-Q1068 PolarHBondContact OD1-NE2 3.5Å; D997-Q1068 PolarHBondContact OD2-NE2 3.03Å
998	L	87.3	Confident	87.5	Confident	115 Å²	115	40.6 Å²	40.6	60%	0.602	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.2	178.4	-59.2	-172.9	0	0	0	113.6	V964 F996 R1038 V1040	V964-L998 HydrophobicContact CG1-CD2 3.99Å; F996-L998 PolarHBondContact O-N 2.92Å; F996-L998 VanDerWaalsContact O-N 3.11Å; L998-R1038 PolarHBondContact O-NH2 2.77Å; L998-V1040 HydrophobicContact CD2-CG2 4.38Å
999	L	87.4	Confident	88.4	Confident	55 Å²	55	36 Å²	36	29%	0.288	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.6	178.7	-60.5	177	0	0	0	112.6	D997 F1001 V1067 Q1068	D997-L999 PolarHBondContact O-N 2.61Å; D997-L999 VanDerWaalsContact O-N 3.13Å; D997-L999 WeakPolarHBondContact OD1-CA 3.26Å; D997-L999 WeakPolarHBondContact OD1-CB 3.09Å; D997-L999 PolarHBondContact OD1-N 2.79Å; L999-F1001 WeakPolarHBondContact O-CD2 3.39Å; L999-F1001 VanDerWaalsContact O-CE2 3.31Å; L999-F1001 WeakPolarHBondContact O-CE2 3.35Å; L999-F1001 PolarHBondContact O-N 2.69Å; L999-V1067 HydrophobicContact CD1-CB 4.21Å; L999-V1067 HydrophobicContact CD1-CG1 3.82Å; L999-Q1068 VanDerWaalsContact C-NE2 3.27Å; L999-Q1068 HydrophobicContact CB-CG 3.7Å; L999-Q1068 HydrophobicContact CD1-CG 4.11Å; L999-Q1068 PolarHBondContact O-NE2 2.9Å
1000	S	88.2	Confident	88.9	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.007	16%	0.163	C	C	.	.			trans	-71.3	128.8	175.5	-175.9	0	0	0	0	111.4	D997 D1002 R1038	D997-S1000 PolarHBondContact O-N 3.43Å; D997-S1000 VanDerWaalsContact O-N 3.09Å; D997-S1000 PolarHBondContact OD1-N 2.86Å; S1000-D1002 WeakPolarHBondContact OG-CB 3.22Å; S1000-D1002 VanDerWaalsContact OG-CG 3.32Å; S1000-D1002 PolarHBondContact OG-N 2.86Å; S1000-D1002 PolarHBondContact OG-OD2 2.95Å; S1000-R1038 PolarHBondContact O-NH1 3.12Å; S1000-R1038 VanDerWaalsContact O-NH1 3.09Å; S1000-R1038 PolarHBondContact O-NH2 3.16Å
1001	F	86.9	Confident	89.3	Confident	44 Å²	44	30.7 Å²	30.7	19%	0.193	15%	0.146	C	C	.	.			trans	-122.5	19.9	166.5	-57.3	-86.3	0	0	0	110.4	L999 L1003 F1025	L999-F1001 WeakPolarHBondContact O-CD2 3.39Å; L999-F1001 VanDerWaalsContact O-CE2 3.31Å; L999-F1001 WeakPolarHBondContact O-CE2 3.35Å; L999-F1001 PolarHBondContact O-N 2.69Å; F1001-L1003 PolarHBondContact O-N 3.15Å; F1001-F1025 HydrophobicContact CD1-CB 3.54Å; F1001-F1025 HydrophobicContact CD1-CD1 4.17Å; F1001-F1025 HydrophobicContact CD1-CD2 4.05Å; F1001-F1025 AromaticContact CD1-CG 3.66Å; F1001-F1025 HydrophobicContact CD1-CG 3.66Å; F1001-F1025 HydrophobicContact CE1-CB 3.83Å; F1001-F1025 AromaticContact CE1-CD1 3.52Å; F1001-F1025 HydrophobicContact CE1-CD1 3.52Å; F1001-F1025 AromaticContact CE1-CD2 3.87Å; F1001-F1025 HydrophobicContact CE1-CD2 3.87Å; F1001-F1025 AromaticContact CE1-CE1 3.99Å; F1001-F1025 HydrophobicContact CE1-CE1 3.99Å; F1001-F1025 HydrophobicContact CE1-CE2 4.31Å; F1001-F1025 AromaticContact CE1-CG 3.45Å; F1001-F1025 HydrophobicContact CE1-CG 3.45Å; F1001-F1025 VanDerWaalsContact CE1-CG 3.45Å; F1001-F1025 HydrophobicContact CE1-CZ 4.37Å; F1001-F1025 HydrophobicContact CG-CB 4.43Å; F1001-F1025 HydrophobicContact CZ-CD1 4.25Å
1002	D	85.2	Confident	89.6	Confident	46 Å²	46	25.8 Å²	25.8	25%	0.246	13%	0.133	C	C	.	.	S	Bend	trans	-72	-17.3	-174	-54.9	-54.8	0	0	0	112.1	S1000 R1051	S1000-D1002 WeakPolarHBondContact OG-CB 3.22Å; S1000-D1002 VanDerWaalsContact OG-CG 3.32Å; S1000-D1002 PolarHBondContact OG-N 2.86Å; S1000-D1002 PolarHBondContact OG-OD2 2.95Å; D1002-R1051 IonicContact OD1-NH1 3.65Å; D1002-R1051 IonicContact OD2-CZ 3.55Å; D1002-R1051 IonicContact OD2-NH1 3.07Å; D1002-R1051 PolarHBondContact OD2-NH1 3.17Å; D1002-R1051 IonicContact OD2-NH2 3.22Å; D1002-R1051 PolarHBondContact OD2-NH2 2.98Å
1003	L	93.3	Very high	89.9	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.13	C	C	.	.			trans	-119	133.4	178.6	-55.6	-178.6	0	0	0	110.7	F934 L940 P963 P965 F1001 F1044 L1046	F934-L1003 HydrophobicContact CE2-CB 4.24Å; L940-L1003 HydrophobicContact CD1-CD1 4.04Å; L940-L1003 HydrophobicContact CD1-CD2 4.3Å; L940-L1003 HydrophobicContact CD2-CD2 3.98Å; P963-L1003 HydrophobicContact CG-CB 3.86Å; P963-L1003 HydrophobicContact CG-CD1 4.19Å; P965-L1003 HydrophobicContact CB-CD1 3.94Å; P965-L1003 HydrophobicContact CG-CD1 4.2Å; F1001-L1003 PolarHBondContact O-N 3.15Å; L1003-F1044 HydrophobicContact CD1-CB 3.97Å; L1003-F1044 HydrophobicContact CD1-CD1 3.97Å; L1003-F1044 HydrophobicContact CD1-CG 4.35Å; L1003-L1046 HydrophobicContact CD1-CD1 4.11Å
1004	A	94.1	Very high	90	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	131.3	179.4	0	0	0	0	0	112.1	L935 F962 F1006 L1024	L935-A1004 HydrophobicContact CB-CB 4.32Å; L935-A1004 WeakPolarHBondContact CB-O 3.48Å; L935-A1004 HydrophobicContact CD2-CB 4.43Å; L935-A1004 PolarHBondContact N-O 3Å; L935-A1004 PolarHBondContact O-N 2.8Å; F962-A1004 HydrophobicContact CD1-CB 3.75Å; F962-A1004 HydrophobicContact CE1-CB 3.42Å; F962-A1004 VanDerWaalsContact CE1-CB 3.42Å; F962-A1004 HydrophobicContact CZ-CB 4.13Å; A1004-F1006 HydrophobicContact CB-CD1 4.26Å; A1004-F1006 HydrophobicContact CB-CE1 4.21Å; A1004-L1024 HydrophobicContact CB-CD2 3.6Å
1005	S	95.2	Very high	89.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.3	174.8	-165.6	0	0	0	0	112.8	L932 I933 V950 T954 V960 F961	L932-S1005 WeakPolarHBondContact CD1-OG 3.48Å; I933-S1005 VanDerWaalsContact O-CA 3.28Å; I933-S1005 WeakPolarHBondContact O-CA 3.29Å; I933-S1005 PolarHBondContact O-OG 2.99Å; V950-S1005 WeakPolarHBondContact CG1-OG 3.24Å; T954-S1005 WeakPolarHBondContact OG1-CB 3.16Å; T954-S1005 PolarHBondContact OG1-OG 2.68Å; V960-S1005 WeakPolarHBondContact CG1-O 3.4Å; F961-S1005 PolarHBondContact N-O 2.76Å; F961-S1005 PolarHBondContact O-N 3.43Å
1006	F	94.7	Very high	89.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.7	-172.4	51.4	-87.8	0	0	0	110.5	L920 I933 V960 A1004 Y1011 L1024 F1028	L920-F1006 HydrophobicContact CD1-CZ 4.16Å; L920-F1006 HydrophobicContact CD2-CZ 4.2Å; I933-F1006 HydrophobicContact CB-CD2 4.24Å; I933-F1006 HydrophobicContact CB-CE2 3.93Å; I933-F1006 HydrophobicContact CB-CZ 4.16Å; I933-F1006 HydrophobicContact CD1-CE2 3.91Å; I933-F1006 HydrophobicContact CG2-CE1 4.17Å; I933-F1006 HydrophobicContact CG2-CE2 3.94Å; I933-F1006 HydrophobicContact CG2-CZ 3.67Å; I933-F1006 PolarHBondContact N-O 3.22Å; I933-F1006 PolarHBondContact O-N 2.98Å; V960-F1006 HydrophobicContact CG1-CB 4.14Å; V960-F1006 HydrophobicContact CG2-CB 3.92Å; A1004-F1006 HydrophobicContact CB-CD1 4.26Å; A1004-F1006 HydrophobicContact CB-CE1 4.21Å; F1006-Y1011 HydrophobicContact CD2-CD2 4.41Å; F1006-Y1011 HydrophobicContact CD2-CG 4.34Å; F1006-Y1011 AromaticContact CE2-CD2 3.99Å; F1006-Y1011 HydrophobicContact CE2-CD2 3.99Å; F1006-Y1011 AromaticContact CE2-CG 4Å; F1006-Y1011 HydrophobicContact CE2-CG 4Å; F1006-Y1011 HydrophobicContact CZ-CD2 4.45Å; F1006-L1024 HydrophobicContact CD1-CD2 4.39Å; F1006-L1024 HydrophobicContact CE1-CD2 3.77Å; F1006-L1024 HydrophobicContact CZ-CD2 4.41Å; F1006-F1028 HydrophobicContact CB-CE2 4.13Å; F1006-F1028 HydrophobicContact CB-CZ 3.8Å; F1006-F1028 HydrophobicContact CD1-CE2 4.31Å; F1006-F1028 HydrophobicContact CD2-CZ 4.3Å; F1006-F1028 HydrophobicContact CG-CE2 4.17Å; F1006-F1028 AromaticContact CG-CZ 3.99Å; F1006-F1028 HydrophobicContact CG-CZ 3.99Å
1007	Y	93.7	Very high	88.6	Confident	7 Å²	7	33.5 Å²	33.5	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.8	166.2	-76	-92.8	0	0	0	110.7	R829 L932 T954 E956 S1009 D1010 Y1011	R829-Y1007 WeakPolarHBondContact CD-OH 3.2Å; R829-Y1007 VanDerWaalsContact NH1-CZ 3.34Å; R829-Y1007 PolarHBondContact NH1-OH 2.89Å; L932-Y1007 HydrophobicContact CB-CD1 4.19Å; L932-Y1007 HydrophobicContact CB-CE1 3.67Å; L932-Y1007 HydrophobicContact CD1-CD2 4.24Å; L932-Y1007 HydrophobicContact CD1-CE2 3.91Å; T954-Y1007 HydrophobicContact CG2-CD2 4Å; T954-Y1007 HydrophobicContact CG2-CE2 3.99Å; T954-Y1007 WeakPolarHBondContact O-CE2 3.39Å; E956-Y1007 VanDerWaalsContact CA-CD2 3.46Å; E956-Y1007 HydrophobicContact CB-CD1 4.05Å; E956-Y1007 HydrophobicContact CB-CD2 3.7Å; E956-Y1007 HydrophobicContact CB-CE1 4.31Å; E956-Y1007 HydrophobicContact CB-CE2 4Å; E956-Y1007 HydrophobicContact CB-CG 3.74Å; E956-Y1007 HydrophobicContact CG-CD1 3.86Å; E956-Y1007 HydrophobicContact CG-CD2 4.05Å; E956-Y1007 HydrophobicContact CG-CG 3.59Å; E956-Y1007 VanDerWaalsContact N-CE2 3.34Å; Y1007-S1009 PolarHBondContact O-N 3.4Å; Y1007-D1010 PolarHBondContact O-N 3.38Å; Y1007-Y1011 PolarHBondContact O-N 2.65Å
1008	S	92.7	Very high	87.7	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-31.9	175.2	37.6	0	0	0	0	113.4	P930 E931 D1010 L1012	P930-S1008 VanDerWaalsContact CA-OG 3.31Å; P930-S1008 WeakPolarHBondContact CA-OG 3.14Å; E931-S1008 PolarHBondContact N-OG 2.81Å; E931-S1008 PolarHBondContact O-N 3.05Å; E931-S1008 PolarHBondContact O-OG 3.46Å; S1008-D1010 VanDerWaalsContact C-N 3.34Å; S1008-D1010 PolarHBondContact O-N 2.77Å; S1008-L1012 WeakPolarHBondContact O-CB 3.22Å; S1008-L1012 VanDerWaalsContact O-CG 3.3Å; S1008-L1012 WeakPolarHBondContact O-CG 3.49Å; S1008-L1012 PolarHBondContact O-N 3.02Å
1009	S	90.5	Very high	86.4	Confident	24 Å²	24	36.9 Å²	36.9	17%	0.168	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-32.7	172.9	38.7	0	0	0	0	113.6	E956 Y1007 R1013	E956-S1009 WeakPolarHBondContact CG-OG 3.42Å; E956-S1009 WeakPolarHBondContact OE1-CB 3.46Å; E956-S1009 PolarHBondContact OE1-OG 2.76Å; Y1007-S1009 PolarHBondContact O-N 3.4Å; S1009-R1013 PolarHBondContact O-N 3.47Å
1010	D	91.4	Very high	85	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-85.2	-35.9	178.8	-60.2	-42.1	0	0	0	111.7	E956 K957 Y1007 S1008 R1013 A1014	E956-D1010 WeakPolarHBondContact CA-OD2 3.38Å; K957-D1010 VanDerWaalsContact CA-OD1 3.24Å; K957-D1010 WeakPolarHBondContact CA-OD1 3.26Å; K957-D1010 VanDerWaalsContact N-CG 3.3Å; K957-D1010 PolarHBondContact N-OD1 3.28Å; K957-D1010 PolarHBondContact N-OD2 3.27Å; Y1007-D1010 PolarHBondContact O-N 3.38Å; S1008-D1010 VanDerWaalsContact C-N 3.34Å; S1008-D1010 PolarHBondContact O-N 2.77Å; D1010-R1013 PolarHBondContact O-N 3Å; D1010-R1013 IonicContact OD1-CZ 3.88Å; D1010-R1013 IonicContact OD1-NH1 3.89Å; D1010-R1013 PolarHBondContact OD1-NH1 3.37Å; D1010-R1013 IonicContact OD1-NH2 2.64Å; D1010-R1013 PolarHBondContact OD1-NH2 3.4Å; D1010-R1013 VanDerWaalsContact OD1-NH2 3.16Å; D1010-A1014 WeakPolarHBondContact O-CB 3.48Å; D1010-A1014 PolarHBondContact O-N 2.92Å
1011	Y	90.7	Very high	83.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-50.3	169.1	177.9	-94.2	0	0	0	111.3	Q917 L920 D921 V924 F1006 Y1007 R1013 A1014 R1015 L1024 L1027 F1028	Q917-Y1011 PolarHBondContact O-OH 2.7Å; L920-Y1011 HydrophobicContact CB-CE1 4.47Å; L920-Y1011 HydrophobicContact CB-CE2 4.36Å; L920-Y1011 HydrophobicContact CD1-CE2 4.35Å; D921-Y1011 WeakPolarHBondContact OD1-CE1 3.1Å; D921-Y1011 PolarHBondContact OD1-OH 3.18Å; V924-Y1011 HydrophobicContact CB-CD1 4.17Å; V924-Y1011 HydrophobicContact CB-CE1 4.45Å; V924-Y1011 HydrophobicContact CG1-CD1 4.07Å; V924-Y1011 HydrophobicContact CG2-CD1 3.96Å; V924-Y1011 HydrophobicContact CG2-CE1 4.31Å; F1006-Y1011 HydrophobicContact CD2-CD2 4.41Å; F1006-Y1011 HydrophobicContact CD2-CG 4.34Å; F1006-Y1011 AromaticContact CE2-CD2 3.99Å; F1006-Y1011 HydrophobicContact CE2-CD2 3.99Å; F1006-Y1011 AromaticContact CE2-CG 4Å; F1006-Y1011 HydrophobicContact CE2-CG 4Å; F1006-Y1011 HydrophobicContact CZ-CD2 4.45Å; Y1007-Y1011 PolarHBondContact O-N 2.65Å; Y1011-R1013 VanDerWaalsContact C-N 3.29Å; Y1011-R1013 PolarHBondContact O-N 2.77Å; Y1011-A1014 PolarHBondContact O-N 3.15Å; Y1011-R1015 HydrophobicContact CE1-CB 4.47Å; Y1011-R1015 HydrophobicContact CE1-CG 4.48Å; Y1011-R1015 WeakPolarHBondContact O-CB 3.39Å; Y1011-R1015 PolarHBondContact O-N 2.88Å; Y1011-L1024 HydrophobicContact CD2-CD1 3.79Å; Y1011-L1024 HydrophobicContact CE2-CD1 3.61Å; Y1011-L1027 HydrophobicContact CD2-CD2 4.35Å; Y1011-L1027 HydrophobicContact CE2-CD2 3.96Å; Y1011-F1028 HydrophobicContact CD2-CZ 4.22Å
1012	L	88.5	Confident	82.4	Confident	72 Å²	72	47.2 Å²	47.2	38%	0.377	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-39.8	177.9	-73.7	170.8	0	0	0	111.8	V924 S1008 R1015 T1016	V924-L1012 HydrophobicContact CG1-CD1 3.93Å; V924-L1012 HydrophobicContact CG1-CD2 3.93Å; V924-L1012 HydrophobicContact CG1-CG 3.66Å; S1008-L1012 WeakPolarHBondContact O-CB 3.22Å; S1008-L1012 VanDerWaalsContact O-CG 3.3Å; S1008-L1012 WeakPolarHBondContact O-CG 3.49Å; S1008-L1012 PolarHBondContact O-N 3.02Å; L1012-R1015 PolarHBondContact O-N 2.87Å; L1012-T1016 WeakPolarHBondContact O-CG2 3.46Å; L1012-T1016 PolarHBondContact O-N 2.97Å
1013	R	86.4	Confident	81.8	Confident	77 Å²	77	47.9 Å²	47.9	29%	0.291	25%	0.25	S	S	.	.	H	α-helix	trans	-66.4	-50.7	177.7	-163	-176.9	-52.5	124.8	26.1	111.9	S1009 D1010 Y1011 R1015 T1016 L1017	S1009-R1013 PolarHBondContact O-N 3.47Å; D1010-R1013 PolarHBondContact O-N 3Å; D1010-R1013 IonicContact OD1-CZ 3.88Å; D1010-R1013 IonicContact OD1-NH1 3.89Å; D1010-R1013 PolarHBondContact OD1-NH1 3.37Å; D1010-R1013 IonicContact OD1-NH2 2.64Å; D1010-R1013 PolarHBondContact OD1-NH2 3.4Å; D1010-R1013 VanDerWaalsContact OD1-NH2 3.16Å; Y1011-R1013 VanDerWaalsContact C-N 3.29Å; Y1011-R1013 PolarHBondContact O-N 2.77Å; R1013-R1015 PolarHBondContact O-N 2.66Å; R1013-T1016 PolarHBondContact O-N 2.9Å; R1013-T1016 VanDerWaalsContact O-N 3.09Å; R1013-T1016 PolarHBondContact O-OG1 2.86Å; R1013-L1017 PolarHBondContact O-N 3.22Å
1014	A	85.6	Confident	81.4	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-39.6	175.8	0	0	0	0	0	111.3	D1010 Y1011 T1016 L1017 L1018 L1027 F1028 A1031	D1010-A1014 WeakPolarHBondContact O-CB 3.48Å; D1010-A1014 PolarHBondContact O-N 2.92Å; Y1011-A1014 PolarHBondContact O-N 3.15Å; A1014-T1016 VanDerWaalsContact C-N 3.35Å; A1014-T1016 PolarHBondContact O-N 3.27Å; A1014-L1017 PolarHBondContact O-N 3.26Å; A1014-L1017 VanDerWaalsContact O-N 3.16Å; A1014-L1018 PolarHBondContact O-N 2.97Å; A1014-L1027 HydrophobicContact CB-CG 4.17Å; A1014-F1028 HydrophobicContact CB-CD1 3.89Å; A1014-F1028 HydrophobicContact CB-CE1 3.92Å; A1014-A1031 HydrophobicContact CB-CB 3.85Å
1015	R	83.7	Confident	81	Confident	48 Å²	48	49.9 Å²	49.9	18%	0.181	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-30.4	177.5	-163.5	56.4	161.1	161	-11.8	114	D921 Y1011 L1012 R1013 L1017 L1018 S1020	D921-R1015 IonicContact OD1-CZ 3.34Å; D921-R1015 IonicContact OD1-NE 3.58Å; D921-R1015 PolarHBondContact OD1-NE 2.69Å; D921-R1015 IonicContact OD1-NH2 3.55Å; D921-R1015 IonicContact OD2-CZ 3.79Å; D921-R1015 IonicContact OD2-NE 3.7Å; D921-R1015 PolarHBondContact OD2-NE 2.72Å; D921-R1015 IonicContact OD2-NH2 2.74Å; D921-R1015 PolarHBondContact OD2-NH2 3.35Å; Y1011-R1015 HydrophobicContact CE1-CB 4.47Å; Y1011-R1015 HydrophobicContact CE1-CG 4.48Å; Y1011-R1015 WeakPolarHBondContact O-CB 3.39Å; Y1011-R1015 PolarHBondContact O-N 2.88Å; L1012-R1015 PolarHBondContact O-N 2.87Å; R1013-R1015 PolarHBondContact O-N 2.66Å; R1015-L1017 VanDerWaalsContact C-N 3.28Å; R1015-L1017 PolarHBondContact O-N 3.04Å; R1015-L1018 PolarHBondContact NH1-O 2.97Å; R1015-S1020 PolarHBondContact NH1-O 2.67Å
1016	T	81	Confident	80.5	Confident	118 Å²	118	54.7 Å²	54.7	72%	0.724	28%	0.278	S	S	*	.	H	α-helix	trans	-71.5	-20	173.5	56	0	0	0	0	114.2	L1012 R1013 A1014	L1012-T1016 WeakPolarHBondContact O-CG2 3.46Å; L1012-T1016 PolarHBondContact O-N 2.97Å; R1013-T1016 PolarHBondContact O-N 2.9Å; R1013-T1016 VanDerWaalsContact O-N 3.09Å; R1013-T1016 PolarHBondContact O-OG1 2.86Å; A1014-T1016 VanDerWaalsContact C-N 3.35Å; A1014-T1016 PolarHBondContact O-N 3.27Å
1017	L	75.3	Confident	80	Confident	89 Å²	89	55 Å²	55	47%	0.466	28%	0.28	S	S	.	.	H	α-helix	trans	-85.4	-26.9	177.8	-58.6	170.1	0	0	0	112.2	R1013 A1014 R1015 A1031	R1013-L1017 PolarHBondContact O-N 3.22Å; A1014-L1017 PolarHBondContact O-N 3.26Å; A1014-L1017 VanDerWaalsContact O-N 3.16Å; R1015-L1017 VanDerWaalsContact C-N 3.28Å; R1015-L1017 PolarHBondContact O-N 3.04Å; L1017-A1031 HydrophobicContact CD1-CB 3.97Å
1018	L	69.4	Low	79.8	Confident	41 Å²	41	54.7 Å²	54.7	22%	0.215	28%	0.278	C	S	.	.			trans	-138.5	102.7	-164.3	-74.5	154.9	0	0	0	112.3	A1014 R1015 S1020 L1027 T1030 A1031	A1014-L1018 PolarHBondContact O-N 2.97Å; R1015-L1018 PolarHBondContact NH1-O 2.97Å; L1018-S1020 PolarHBondContact O-N 3.17Å; L1018-L1027 HydrophobicContact CB-CD1 3.6Å; L1018-L1027 HydrophobicContact CD1-CD1 3.95Å; L1018-L1027 HydrophobicContact CG-CD1 4.44Å; L1018-T1030 WeakPolarHBondContact CD1-OG1 3.34Å; L1018-A1031 HydrophobicContact CD1-CB 4.36Å
1019	T	61.5	Low	79.4	Confident	145 Å²	145	57.1 Å²	57.1	89%	0.89	30%	0.295	S	S	*	.			trans	-74.3	-1.2	170.9	44.8	0	0	0	0	114
1020	S	58	Low	78.9	Confident	44 Å²	44	60.2 Å²	60.2	31%	0.308	31%	0.313	S	S	.	.			trans	-64.4	160.5	-178.9	-170.7	0	0	0	0	113.3	Q917 R1015 L1018 N1022	Q917-S1020 PolarHBondContact OE1-O 2.88Å; R1015-S1020 PolarHBondContact NH1-O 2.67Å; L1018-S1020 PolarHBondContact O-N 3.17Å; S1020-N1022 PolarHBondContact OG-N 2.86Å; S1020-N1022 PolarHBondContact OG-OD1 2.71Å
1021	K	57.5	Low	78.2	Confident	182 Å²	182	60.7 Å²	60.7	79%	0.791	32%	0.317	S	S	*	.			trans	-99.6	0.9	177.7	-65.3	173.2	-177.1	164.9	0	113.4
1022	N	61	Low	77.5	Confident	92 Å²	92	63.9 Å²	63.9	49%	0.492	35%	0.35	S	S	.	.	S	Bend	trans	-56.2	154.4	178.3	-59.8	3.3	0	0	0	111.4	Q917 S1020	Q917-N1022 PolarHBondContact NE2-O 2.95Å; S1020-N1022 PolarHBondContact OG-N 2.86Å; S1020-N1022 PolarHBondContact OG-OD1 2.71Å
1023	H	74.2	Confident	77	Confident	59 Å²	59	65.4 Å²	65.4	27%	0.273	36%	0.355	S	S	.	.			trans	-51.5	154.9	-177.2	-52.8	-84.3	0	0	0	114.7	F1025 Y1026 L1027 E1061	H1023-F1025 PolarHBondContact O-N 3.42Å; H1023-F1025 VanDerWaalsContact O-N 3.09Å; H1023-Y1026 HydrophobicContact CB-CD2 4Å; H1023-Y1026 AromaticContact CD2-CD2 3.86Å; H1023-Y1026 AromaticContact CD2-CE2 3.79Å; H1023-Y1026 PolarHBondContact O-N 2.85Å; H1023-L1027 PolarHBondContact O-N 3.1Å; H1023-L1027 VanDerWaalsContact O-N 3.08Å; H1023-E1061 IonicContact CE1-OE1 3.47Å; H1023-E1061 PolarHBondContact CE1-OE1 3.03Å; H1023-E1061 IonicContact ND1-OE1 2.83Å; H1023-E1061 IonicContact NE2-OE1 3.59Å
1024	L	84	Confident	77	Confident	9 Å²	9	62.6 Å²	62.6	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-51	-34.1	178.1	-177.1	64.3	0	0	0	113.9	L920 L935 F962 A1004 F1006 Y1011 L1027 F1028	L920-L1024 HydrophobicContact CD1-CD1 4.22Å; L920-L1024 HydrophobicContact CD1-CD2 4Å; L935-L1024 HydrophobicContact CD2-CD2 4.27Å; F962-L1024 HydrophobicContact CE1-CG 4.43Å; F962-L1024 HydrophobicContact CZ-CG 4.24Å; A1004-L1024 HydrophobicContact CB-CD2 3.6Å; F1006-L1024 HydrophobicContact CD1-CD2 4.39Å; F1006-L1024 HydrophobicContact CE1-CD2 3.77Å; F1006-L1024 HydrophobicContact CZ-CD2 4.41Å; Y1011-L1024 HydrophobicContact CD2-CD1 3.79Å; Y1011-L1024 HydrophobicContact CE2-CD1 3.61Å; L1024-L1027 HydrophobicContact CD1-CD2 4.38Å; L1024-F1028 HydrophobicContact CD1-CD2 4.35Å; L1024-F1028 HydrophobicContact CD1-CE2 3.75Å; L1024-F1028 HydrophobicContact CG-CD2 4.49Å; L1024-F1028 HydrophobicContact CG-CE2 4.16Å; L1024-F1028 VanDerWaalsContact O-CD2 3.27Å; L1024-F1028 WeakPolarHBondContact O-CD2 3.46Å; L1024-F1028 PolarHBondContact O-N 2.64Å
1025	F	86.3	Confident	77.2	Confident	35 Å²	35	67.4 Å²	67.4	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-55.3	174.7	178.2	-102.5	0	0	0	112	F962 F1001 H1023 L1027 F1028 C1029 V1036 R1038	F962-F1025 HydrophobicContact CD1-CD2 4.2Å; F962-F1025 AromaticContact CD2-CD2 3.81Å; F962-F1025 HydrophobicContact CD2-CD2 3.81Å; F962-F1025 HydrophobicContact CD2-CE2 4.37Å; F962-F1025 HydrophobicContact CE1-CB 4.03Å; F962-F1025 HydrophobicContact CE1-CD2 4.3Å; F962-F1025 AromaticContact CE2-CD2 3.91Å; F962-F1025 HydrophobicContact CE2-CD2 3.91Å; F962-F1025 AromaticContact CG-CD2 3.95Å; F962-F1025 HydrophobicContact CG-CD2 3.95Å; F962-F1025 HydrophobicContact CZ-CB 4.05Å; F962-F1025 HydrophobicContact CZ-CD2 4.17Å; F1001-F1025 HydrophobicContact CD1-CB 3.54Å; F1001-F1025 HydrophobicContact CD1-CD1 4.17Å; F1001-F1025 HydrophobicContact CD1-CD2 4.05Å; F1001-F1025 AromaticContact CD1-CG 3.66Å; F1001-F1025 HydrophobicContact CD1-CG 3.66Å; F1001-F1025 HydrophobicContact CE1-CB 3.83Å; F1001-F1025 AromaticContact CE1-CD1 3.52Å; F1001-F1025 HydrophobicContact CE1-CD1 3.52Å; F1001-F1025 AromaticContact CE1-CD2 3.87Å; F1001-F1025 HydrophobicContact CE1-CD2 3.87Å; F1001-F1025 AromaticContact CE1-CE1 3.99Å; F1001-F1025 HydrophobicContact CE1-CE1 3.99Å; F1001-F1025 HydrophobicContact CE1-CE2 4.31Å; F1001-F1025 AromaticContact CE1-CG 3.45Å; F1001-F1025 HydrophobicContact CE1-CG 3.45Å; F1001-F1025 VanDerWaalsContact CE1-CG 3.45Å; F1001-F1025 HydrophobicContact CE1-CZ 4.37Å; F1001-F1025 HydrophobicContact CG-CB 4.43Å; F1001-F1025 HydrophobicContact CZ-CD1 4.25Å; H1023-F1025 PolarHBondContact O-N 3.42Å; H1023-F1025 VanDerWaalsContact O-N 3.09Å; F1025-L1027 PolarHBondContact O-N 2.97Å; F1025-F1028 PolarHBondContact O-N 2.7Å; F1025-C1029 PolarHBondContact O-N 3.08Å; F1025-C1029 VanDerWaalsContact O-N 3.09Å; F1025-C1029 PolarHBondContact O-SG 2.78Å; F1025-V1036 HydrophobicContact CD2-CG1 3.99Å; F1025-V1036 HydrophobicContact CE2-CG1 3.59Å; F1025-V1036 HydrophobicContact CZ-CG1 4.47Å; F1025-R1038 HydrophobicContact CE2-CB 4.34Å
1026	Y	83.7	Confident	77.6	Confident	100 Å²	100	66.5 Å²	66.5	39%	0.392	37%	0.368	S	S	.	.	H	α-helix	trans	-58.9	-34.5	178	-66.5	-67.7	0	0	0	112.6	H1023 F1028 C1029 T1030	H1023-Y1026 HydrophobicContact CB-CD2 4Å; H1023-Y1026 AromaticContact CD2-CD2 3.86Å; H1023-Y1026 AromaticContact CD2-CE2 3.79Å; H1023-Y1026 PolarHBondContact O-N 2.85Å; Y1026-F1028 VanDerWaalsContact C-N 3.31Å; Y1026-F1028 PolarHBondContact O-N 3.13Å; Y1026-C1029 PolarHBondContact O-N 3.09Å; Y1026-T1030 WeakPolarHBondContact O-CB 3.46Å; Y1026-T1030 PolarHBondContact O-N 3.33Å; Y1026-T1030 PolarHBondContact O-OG1 3.26Å
1027	L	85.3	Confident	78.2	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-56.3	-42.5	174.8	179.4	67.6	0	0	0	112.3	Y1011 A1014 L1018 H1023 L1024 F1025 A1031	Y1011-L1027 HydrophobicContact CD2-CD2 4.35Å; Y1011-L1027 HydrophobicContact CE2-CD2 3.96Å; A1014-L1027 HydrophobicContact CB-CG 4.17Å; L1018-L1027 HydrophobicContact CB-CD1 3.6Å; L1018-L1027 HydrophobicContact CD1-CD1 3.95Å; L1018-L1027 HydrophobicContact CG-CD1 4.44Å; H1023-L1027 PolarHBondContact O-N 3.1Å; H1023-L1027 VanDerWaalsContact O-N 3.08Å; L1024-L1027 HydrophobicContact CD1-CD2 4.38Å; F1025-L1027 PolarHBondContact O-N 2.97Å; L1027-A1031 VanDerWaalsContact O-CB 3.25Å; L1027-A1031 WeakPolarHBondContact O-CB 3.41Å; L1027-A1031 PolarHBondContact O-N 3.05Å
1028	F	88.3	Confident	79	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-78.7	-38.1	178.1	-72.9	-66.3	0	0	0	112.7	V960 F962 F1006 Y1011 A1014 L1024 F1025 Y1026 A1031 V1036	V960-F1028 HydrophobicContact CG1-CD2 3.85Å; V960-F1028 HydrophobicContact CG1-CE2 4.01Å; V960-F1028 HydrophobicContact CG1-CG 4.19Å; V960-F1028 HydrophobicContact CG1-CZ 4.49Å; V960-F1028 HydrophobicContact CG2-CD1 3.88Å; V960-F1028 HydrophobicContact CG2-CD2 4.44Å; V960-F1028 HydrophobicContact CG2-CE1 3.81Å; V960-F1028 HydrophobicContact CG2-CE2 4.37Å; V960-F1028 HydrophobicContact CG2-CG 4.2Å; V960-F1028 HydrophobicContact CG2-CZ 4.05Å; F962-F1028 HydrophobicContact CE2-CD2 4.06Å; F962-F1028 AromaticContact CZ-CD2 3.97Å; F962-F1028 HydrophobicContact CZ-CD2 3.97Å; F1006-F1028 HydrophobicContact CB-CE2 4.13Å; F1006-F1028 HydrophobicContact CB-CZ 3.8Å; F1006-F1028 HydrophobicContact CD1-CE2 4.31Å; F1006-F1028 HydrophobicContact CD2-CZ 4.3Å; F1006-F1028 HydrophobicContact CG-CE2 4.17Å; F1006-F1028 AromaticContact CG-CZ 3.99Å; F1006-F1028 HydrophobicContact CG-CZ 3.99Å; Y1011-F1028 HydrophobicContact CD2-CZ 4.22Å; A1014-F1028 HydrophobicContact CB-CD1 3.89Å; A1014-F1028 HydrophobicContact CB-CE1 3.92Å; L1024-F1028 HydrophobicContact CD1-CD2 4.35Å; L1024-F1028 HydrophobicContact CD1-CE2 3.75Å; L1024-F1028 HydrophobicContact CG-CD2 4.49Å; L1024-F1028 HydrophobicContact CG-CE2 4.16Å; L1024-F1028 VanDerWaalsContact O-CD2 3.27Å; L1024-F1028 WeakPolarHBondContact O-CD2 3.46Å; L1024-F1028 PolarHBondContact O-N 2.64Å; F1025-F1028 PolarHBondContact O-N 2.7Å; Y1026-F1028 VanDerWaalsContact C-N 3.31Å; Y1026-F1028 PolarHBondContact O-N 3.13Å; F1028-A1031 PolarHBondContact O-N 3.06Å; F1028-V1036 HydrophobicContact CB-CG2 3.89Å
1029	C	85.2	Confident	80.1	Confident	54 Å²	54	62.6 Å²	62.6	37%	0.365	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-50.1	175.8	-62.9	0	0	0	0	111.8	F1025 Y1026 A1031 G1032	F1025-C1029 PolarHBondContact O-N 3.08Å; F1025-C1029 VanDerWaalsContact O-N 3.09Å; F1025-C1029 PolarHBondContact O-SG 2.78Å; Y1026-C1029 PolarHBondContact O-N 3.09Å; C1029-A1031 VanDerWaalsContact C-N 3.28Å; C1029-A1031 PolarHBondContact O-N 2.97Å; C1029-G1032 PolarHBondContact O-N 3.18Å
1030	T	80	Confident	81.6	Confident	89 Å²	89	59.2 Å²	59.2	55%	0.546	32%	0.32	S	S	.	.	H	α-helix	trans	-75.5	-13.2	-178.8	53.5	0	0	0	0	113.8	L1018 Y1026 G1032	L1018-T1030 WeakPolarHBondContact CD1-OG1 3.34Å; Y1026-T1030 WeakPolarHBondContact O-CB 3.46Å; Y1026-T1030 PolarHBondContact O-N 3.33Å; Y1026-T1030 PolarHBondContact O-OG1 3.26Å; T1030-G1032 VanDerWaalsContact C-N 3.33Å
1031	A	77.7	Confident	83.2	Confident	11 Å²	11	58 Å²	58	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-74.6	-19.6	171.6	0	0	0	0	0	113.5	A1014 L1017 L1018 L1027 F1028 C1029 Q1033	A1014-A1031 HydrophobicContact CB-CB 3.85Å; L1017-A1031 HydrophobicContact CD1-CB 3.97Å; L1018-A1031 HydrophobicContact CD1-CB 4.36Å; L1027-A1031 VanDerWaalsContact O-CB 3.25Å; L1027-A1031 WeakPolarHBondContact O-CB 3.41Å; L1027-A1031 PolarHBondContact O-N 3.05Å; F1028-A1031 PolarHBondContact O-N 3.06Å; C1029-A1031 VanDerWaalsContact C-N 3.28Å; C1029-A1031 PolarHBondContact O-N 2.97Å; A1031-Q1033 WeakPolarHBondContact O-CG 3Å; A1031-Q1033 PolarHBondContact O-N 2.8Å
1032	G	74.6	Confident	84.6	Confident	67 Å²	67	52.2 Å²	52.2	69%	0.691	29%	0.292	S	S	*	.			trans	63.8	-12	173.4	0	0	0	0	0	117.7	C1029 T1030	C1029-G1032 PolarHBondContact O-N 3.18Å; T1030-G1032 VanDerWaalsContact C-N 3.33Å
1033	Q	77.8	Confident	86	Confident	103 Å²	103	48.1 Å²	48.1	48%	0.481	27%	0.271	S	S	.	.	S	Bend	trans	-91.7	-5.8	-169.8	-72	176	11	0	0	115	A1031	A1031-Q1033 WeakPolarHBondContact O-CG 3Å; A1031-Q1033 PolarHBondContact O-N 2.8Å
1034	V	86.7	Confident	86.9	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.109	26%	0.258	C	S	.	.	S	Bend	trans	-143.4	135.1	-170.1	-158.9	0	0	0	0	109.6	F958 V960 V1036	F958-V1034 VanDerWaalsContact C-CG1 3.41Å; F958-V1034 WeakPolarHBondContact O-CG1 3.46Å; V960-V1034 HydrophobicContact CG2-CG1 3.98Å; V1034-V1036 PolarHBondContact O-N 2.65Å
1035	H	90.1	Very high	87.3	Confident	104 Å²	104	47.7 Å²	47.7	48%	0.481	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.7	176	-178.7	-122.7	0	0	0	110.5	F958 Q959 V960	F958-H1035 WeakPolarHBondContact O-CB 3.47Å; F958-H1035 PolarHBondContact O-N 2.86Å; Q959-H1035 CarbonylContact C-O 3.5Å; Q959-H1035 WeakPolarHBondContact CA-O 3.43Å; Q959-H1035 HydrophobicContact CB-CB 4.39Å; Q959-H1035 HydrophobicContact CG-CB 4.36Å; Q959-H1035 PolarHBondContact OE1-ND1 3.19Å; V960-H1035 PolarHBondContact N-O 3.3Å
1036	V	92	Very high	87.6	Confident	30 Å²	30	46 Å²	46	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	91.8	-179.3	-174.9	0	0	0	0	109.4	F962 F1025 F1028 V1034 R1038	F962-V1036 HydrophobicContact CD2-CG1 3.67Å; F962-V1036 HydrophobicContact CE2-CG1 3.89Å; F1025-V1036 HydrophobicContact CD2-CG1 3.99Å; F1025-V1036 HydrophobicContact CE2-CG1 3.59Å; F1025-V1036 HydrophobicContact CZ-CG1 4.47Å; F1028-V1036 HydrophobicContact CB-CG2 3.89Å; V1034-V1036 PolarHBondContact O-N 2.65Å; V1036-R1038 PolarHBondContact O-N 3.32Å; V1036-R1038 VanDerWaalsContact O-N 3.16Å
1037	L	92.9	Very high	87.8	Confident	40 Å²	40	43.2 Å²	43.2	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	97.7	179.1	-176.6	68.3	0	0	0	110.1	Q959 V960 F961 F962 V1039	Q959-L1037 HydrophobicContact CG-CB 3.91Å; V960-L1037 PolarHBondContact O-N 3.2Å; F961-L1037 WeakPolarHBondContact CA-O 3.26Å; F961-L1037 HydrophobicContact CD2-CB 4.33Å; F961-L1037 HydrophobicContact CD2-CD2 3.87Å; F961-L1037 HydrophobicContact CD2-CG 4.05Å; F961-L1037 WeakPolarHBondContact CD2-O 3.39Å; F961-L1037 HydrophobicContact CE2-CD2 4.32Å; F962-L1037 PolarHBondContact N-O 2.99Å; L1037-V1039 HydrophobicContact CD1-CG2 3.5Å; L1037-V1039 HydrophobicContact CG-CG2 3.79Å
1038	R	93.5	Very high	87.9	Confident	65 Å²	65	46.1 Å²	46.1	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	114.4	170.6	-173.5	172.2	-179	77.3	-7.8	109.8	F962 V964 L998 S1000 F1025 V1036	F962-R1038 HydrophobicContact CB-CB 4.37Å; F962-R1038 HydrophobicContact CB-CG 4.36Å; F962-R1038 WeakPolarHBondContact O-CA 3.34Å; V964-R1038 HydrophobicContact CG2-CG 3.66Å; L998-R1038 PolarHBondContact O-NH2 2.77Å; S1000-R1038 PolarHBondContact O-NH1 3.12Å; S1000-R1038 VanDerWaalsContact O-NH1 3.09Å; S1000-R1038 PolarHBondContact O-NH2 3.16Å; F1025-R1038 HydrophobicContact CE2-CB 4.34Å; V1036-R1038 PolarHBondContact O-N 3.32Å; V1036-R1038 VanDerWaalsContact O-N 3.16Å
1039	V	92	Very high	87.7	Confident	61 Å²	61	46.1 Å²	46.1	37%	0.37	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.5	-170.9	173.2	0	0	0	0	111.2	F962 V964 L1037 D1041	F962-V1039 PolarHBondContact O-N 3.23Å; V964-V1039 PolarHBondContact N-O 3.09Å; L1037-V1039 HydrophobicContact CD1-CG2 3.5Å; L1037-V1039 HydrophobicContact CG-CG2 3.79Å; V1039-D1041 PolarHBondContact O-N 2.77Å
1040	V	92.3	Very high	87.6	Confident	74 Å²	74	48.1 Å²	48.1	45%	0.448	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.9	170.4	176.8	0	0	0	0	109.7	V964 F996 L998	V964-V1040 HydrophobicContact CB-CG2 4.16Å; V964-V1040 HydrophobicContact CG1-CG2 3.99Å; F996-V1040 HydrophobicContact CB-CG1 4.12Å; F996-V1040 HydrophobicContact CD1-CG1 3.44Å; F996-V1040 VanDerWaalsContact CD1-CG1 3.44Å; F996-V1040 HydrophobicContact CD2-CG1 3.76Å; F996-V1040 HydrophobicContact CE1-CG1 3.61Å; F996-V1040 HydrophobicContact CE2-CG1 3.93Å; F996-V1040 HydrophobicContact CG-CG1 3.51Å; F996-V1040 HydrophobicContact CZ-CG1 3.85Å; L998-V1040 HydrophobicContact CD2-CG2 4.38Å
1041	D	91.3	Very high	87.5	Confident	17 Å²	17	44.7 Å²	44.7	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	119.9	-175.4	-171.9	-26.9	0	0	0	111.6	R949 V964 V1039 A1043 F1044	R949-D1041 WeakPolarHBondContact CD-OD2 3.49Å; V964-D1041 PolarHBondContact O-N 3.12Å; V1039-D1041 PolarHBondContact O-N 2.77Å; D1041-A1043 PolarHBondContact O-N 3.39Å; D1041-A1043 VanDerWaalsContact OD1-CB 3.26Å; D1041-A1043 WeakPolarHBondContact OD1-CB 3.43Å; D1041-A1043 PolarHBondContact OD1-N 2.92Å; D1041-F1044 HydrophobicContact CB-CD2 3.7Å; D1041-F1044 HydrophobicContact CB-CE2 4.02Å; D1041-F1044 PolarHBondContact O-N 3.42Å; D1041-F1044 WeakPolarHBondContact OD2-CE2 3.47Å
1042	S	88.8	Confident	87.5	Confident	62 Å²	62	48.4 Å²	48.4	43%	0.434	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-6.9	-176.8	53.5	0	0	0	0	114.7	F1044 R1045	S1042-F1044 VanDerWaalsContact C-N 3.31Å; S1042-R1045 PolarHBondContact O-NE 3.08Å; S1042-R1045 PolarHBondContact O-NH2 3.05Å
1043	A	89.5	Confident	87.8	Confident	5 Å²	5	45.5 Å²	45.5	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-18.5	168.3	0	0	0	0	0	112.5	N943 R949 D1041	N943-A1043 PolarHBondContact ND2-O 3.02Å; R949-A1043 HydrophobicContact CG-CB 4.15Å; D1041-A1043 PolarHBondContact O-N 3.39Å; D1041-A1043 VanDerWaalsContact OD1-CB 3.26Å; D1041-A1043 WeakPolarHBondContact OD1-CB 3.43Å; D1041-A1043 PolarHBondContact OD1-N 2.92Å
1044	F	93.6	Very high	87.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.6	179.4	-57.9	-95.9	0	0	0	109.1	F934 M946 R949 V950 F961 P963 P965 F966 L1003 D1041 S1042	F934-F1044 HydrophobicContact CE1-CE1 4.09Å; F934-F1044 HydrophobicContact CE2-CE1 4.22Å; F934-F1044 AromaticContact CZ-CD1 3.9Å; F934-F1044 HydrophobicContact CZ-CD1 3.9Å; F934-F1044 AromaticContact CZ-CE1 3.52Å; F934-F1044 HydrophobicContact CZ-CE1 3.52Å; M946-F1044 HydrophobicContact CG-CD1 3.8Å; M946-F1044 HydrophobicContact CG-CE1 3.4Å; M946-F1044 VanDerWaalsContact CG-CE1 3.4Å; M946-F1044 HydrophobicContact CG-CZ 3.96Å; M946-F1044 HydrophobicContact SD-CD1 3.96Å; M946-F1044 HydrophobicContact SD-CE1 4.08Å; R949-F1044 HydrophobicContact CB-CE2 3.92Å; R949-F1044 HydrophobicContact CB-CZ 3.92Å; R949-F1044 HydrophobicContact CG-CE2 4.42Å; V950-F1044 HydrophobicContact CG2-CE1 4Å; V950-F1044 HydrophobicContact CG2-CZ 4.02Å; F961-F1044 HydrophobicContact CE1-CE1 4.49Å; F961-F1044 HydrophobicContact CE1-CE2 4.02Å; F961-F1044 AromaticContact CE1-CZ 3.69Å; F961-F1044 HydrophobicContact CE1-CZ 3.69Å; F961-F1044 HydrophobicContact CZ-CE2 4.05Å; F961-F1044 HydrophobicContact CZ-CZ 4.2Å; P963-F1044 HydrophobicContact CB-CB 4.27Å; P963-F1044 HydrophobicContact CB-CD1 3.83Å; P963-F1044 HydrophobicContact CB-CD2 3.55Å; P963-F1044 HydrophobicContact CB-CE1 4.01Å; P963-F1044 HydrophobicContact CB-CE2 3.77Å; P963-F1044 HydrophobicContact CB-CG 3.59Å; P963-F1044 HydrophobicContact CB-CZ 4Å; P963-F1044 HydrophobicContact CG-CD1 3.69Å; P963-F1044 HydrophobicContact CG-CD2 4.31Å; P963-F1044 HydrophobicContact CG-CE1 3.73Å; P963-F1044 HydrophobicContact CG-CE2 4.36Å; P963-F1044 HydrophobicContact CG-CG 4Å; P963-F1044 HydrophobicContact CG-CZ 4.09Å; P965-F1044 CarbonylContact C-O 3.44Å; P965-F1044 WeakPolarHBondContact CA-O 3.07Å; P965-F1044 HydrophobicContact CB-CB 3.97Å; P965-F1044 WeakPolarHBondContact CB-O 3.37Å; F966-F1044 PolarHBondContact N-O 3.36Å; L1003-F1044 HydrophobicContact CD1-CB 3.97Å; L1003-F1044 HydrophobicContact CD1-CD1 3.97Å; L1003-F1044 HydrophobicContact CD1-CG 4.35Å; D1041-F1044 HydrophobicContact CB-CD2 3.7Å; D1041-F1044 HydrophobicContact CB-CE2 4.02Å; D1041-F1044 PolarHBondContact O-N 3.42Å; D1041-F1044 WeakPolarHBondContact OD2-CE2 3.47Å; S1042-F1044 VanDerWaalsContact C-N 3.31Å
1045	R	91.6	Very high	86.7	Confident	59 Å²	59	53.4 Å²	53.4	22%	0.223	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.8	-172.6	-56.5	176.1	-170.1	-162.4	-2.8	110.3	L940 E941 F966 F987 S1042	L940-R1045 CarbonylContact C-O 3.57Å; L940-R1045 WeakPolarHBondContact CA-O 3.32Å; E941-R1045 HydrophobicContact CB-CB 4.19Å; E941-R1045 HydrophobicContact CG-CB 4.34Å; E941-R1045 PolarHBondContact N-O 3.2Å; F966-R1045 CarbonylContact O-C 3.58Å; F966-R1045 VanDerWaalsContact O-CA 3.28Å; F966-R1045 WeakPolarHBondContact O-CA 3.28Å; F987-R1045 PolarHBondContact O-NH1 3.23Å; S1042-R1045 PolarHBondContact O-NE 3.08Å; S1042-R1045 PolarHBondContact O-NH2 3.05Å
1046	L	91.9	Very high	85.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.9	173.6	-80.3	75	0	0	0	111.1	W939 L940 P965 F966 I967 R968 L1003	W939-L1046 HydrophobicContact CB-CB 4.47Å; W939-L1046 HydrophobicContact CB-CD2 4.34Å; W939-L1046 HydrophobicContact CB-CG 4.38Å; W939-L1046 CarbonylContact O-C 3.56Å; W939-L1046 VanDerWaalsContact O-CA 3.31Å; W939-L1046 WeakPolarHBondContact O-CA 3.25Å; L940-L1046 HydrophobicContact CD1-CD1 4.07Å; P965-L1046 HydrophobicContact CB-CD1 3.56Å; P965-L1046 HydrophobicContact CG-CD1 3.77Å; F966-L1046 PolarHBondContact O-N 3.28Å; I967-L1046 HydrophobicContact CD1-CD2 4.47Å; I967-L1046 HydrophobicContact CG1-CB 4.24Å; R968-L1046 WeakPolarHBondContact CG-O 3.41Å; R968-L1046 PolarHBondContact N-O 2.57Å; L1003-L1046 HydrophobicContact CD1-CD1 4.11Å
1047	R	89.4	Confident	84.5	Confident	41 Å²	41	56 Å²	56	16%	0.155	29%	0.293	C	S	.	.			trans	-68.3	166.7	165.2	-61.6	-179.4	179.6	129.2	5	110.7	E847 D851 W939 E941 P1049	E847-R1047 VanDerWaalsContact CG-NH1 3.32Å; E847-R1047 IonicContact OE1-CZ 3.86Å; E847-R1047 IonicContact OE1-NE 3.54Å; E847-R1047 IonicContact OE1-NH1 3.37Å; E847-R1047 IonicContact OE1-NH2 2.67Å; E847-R1047 VanDerWaalsContact OE2-CD 3.25Å; E847-R1047 WeakPolarHBondContact OE2-CD 3.42Å; E847-R1047 IonicContact OE2-CZ 3.05Å; E847-R1047 IonicContact OE2-NE 3.51Å; E847-R1047 PolarHBondContact OE2-NE 2.72Å; E847-R1047 IonicContact OE2-NH1 3.19Å; E847-R1047 PolarHBondContact OE2-NH1 3.34Å; D851-R1047 IonicContact OD2-CZ 3.67Å; D851-R1047 IonicContact OD2-NH1 3.7Å; D851-R1047 IonicContact OD2-NH2 2.67Å; D851-R1047 PolarHBondContact OD2-NH2 2.86Å; W939-R1047 PolarHBondContact O-N 3.35Å; E941-R1047 HydrophobicContact CG-CG 3.83Å; R1047-P1049 WeakPolarHBondContact O-CD 3.48Å
1048	H	87.2	Confident	83.6	Confident	67 Å²	67	57.9 Å²	57.9	31%	0.31	30%	0.303	S	S	.	.			trans	-29.1	95.2	170.1	179.3	133.7	0	0	0	115.1	R968 S970 N1050 S1072	R968-H1048 VanDerWaalsContact O-CB 3.29Å; R968-H1048 WeakPolarHBondContact O-CB 3.48Å; S970-H1048 PolarHBondContact N-ND1 3.1Å; H1048-N1050 PolarHBondContact O-N 3.34Å; H1048-S1072 PolarHBondContact CE1-OG 3.44Å; H1048-S1072 VanDerWaalsContact CE1-OG 3.28Å; H1048-S1072 PolarHBondContact ND1-O 3.18Å; H1048-S1072 VanDerWaalsContact ND1-O 3.13Å; H1048-S1072 PolarHBondContact ND1-OG 3.24Å
1049	P	84.5	Confident	82.9	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.013	32%	0.317	C	S	.	.			trans	-80.1	108.7	-175.3	32.5	-36.1	0	0	0	112	W939 I967 R1047 R1051	W939-P1049 HydrophobicContact CD2-CB 4.14Å; W939-P1049 VanDerWaalsContact CE3-CA 3.46Å; W939-P1049 HydrophobicContact CE3-CB 3.26Å; W939-P1049 HydrophobicContact CH2-CB 4.07Å; W939-P1049 VanDerWaalsContact CZ3-CA 3.48Å; W939-P1049 HydrophobicContact CZ3-CB 3.22Å; I967-P1049 HydrophobicContact CG2-CG 3.76Å; R1047-P1049 WeakPolarHBondContact O-CD 3.48Å; P1049-R1051 VanDerWaalsContact C-N 3.26Å; P1049-R1051 HydrophobicContact CB-CG 3.93Å; P1049-R1051 HydrophobicContact CG-CG 4.4Å; P1049-R1051 PolarHBondContact O-N 2.88Å
1050	N	81.3	Confident	82.2	Confident	96 Å²	96	60.8 Å²	60.8	51%	0.513	32%	0.324	S	S	.	.			trans	-74	74.9	172.6	-174.9	28.8	0	0	0	111.1	W939 H1048 H1052	W939-N1050 WeakPolarHBondContact CH2-O 3.49Å; W939-N1050 HydrophobicContact CZ2-CB 4.21Å; H1048-N1050 PolarHBondContact O-N 3.34Å; N1050-H1052 PolarHBondContact O-N 3.15Å
1051	R	78.8	Confident	81.4	Confident	17 Å²	17	59.8 Å²	59.8	6%	0.064	32%	0.315	C	S	.	.			trans	-80.4	105	-172.6	-60.7	-167.2	-176.5	-89.5	16.2	111.8	W939 D997 D1002 P1049 C1053	W939-R1051 HydrophobicContact CH2-CG 4.47Å; W939-R1051 HydrophobicContact CZ3-CG 4.19Å; D997-R1051 IonicContact OD2-NH2 3.95Å; D997-R1051 PolarHBondContact OD2-NH2 3.43Å; D1002-R1051 IonicContact OD1-NH1 3.65Å; D1002-R1051 IonicContact OD2-CZ 3.55Å; D1002-R1051 IonicContact OD2-NH1 3.07Å; D1002-R1051 PolarHBondContact OD2-NH1 3.17Å; D1002-R1051 IonicContact OD2-NH2 3.22Å; D1002-R1051 PolarHBondContact OD2-NH2 2.98Å; P1049-R1051 VanDerWaalsContact C-N 3.26Å; P1049-R1051 HydrophobicContact CB-CG 3.93Å; P1049-R1051 HydrophobicContact CG-CG 4.4Å; P1049-R1051 PolarHBondContact O-N 2.88Å; R1051-C1053 VanDerWaalsContact C-N 3.31Å; R1051-C1053 PolarHBondContact O-N 2.85Å
1052	H	78	Confident	81	Confident	88 Å²	88	61.9 Å²	61.9	41%	0.407	32%	0.321	S	S	.	.			trans	-74.9	75.4	171.8	-63.5	137.2	0	0	0	112.9	D840 N1050 E1054 S1055	D840-H1052 VanDerWaalsContact CG-ND1 3.3Å; D840-H1052 IonicContact OD2-CE1 3.46Å; D840-H1052 PolarHBondContact OD2-CE1 3.23Å; D840-H1052 IonicContact OD2-CG 3.94Å; D840-H1052 IonicContact OD2-ND1 2.79Å; D840-H1052 PolarHBondContact OD2-ND1 3.09Å; N1050-H1052 PolarHBondContact O-N 3.15Å; H1052-E1054 VanDerWaalsContact C-N 3.33Å; H1052-E1054 PolarHBondContact O-N 2.9Å; H1052-S1055 WeakPolarHBondContact O-CB 3.44Å; H1052-S1055 PolarHBondContact O-N 3.15Å; H1052-S1055 PolarHBondContact O-OG 3.37Å
1053	C	79.9	Confident	80.8	Confident	7 Å²	7	63.5 Å²	63.5	5%	0.047	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-63.5	-30.1	-171.6	-64.6	0	0	0	0	114.8	R1051 S1055 R1056 C1065 I1066 E1069	R1051-C1053 VanDerWaalsContact C-N 3.31Å; R1051-C1053 PolarHBondContact O-N 2.85Å; C1053-S1055 PolarHBondContact O-N 3.47Å; C1053-S1055 VanDerWaalsContact O-N 3.09Å; C1053-R1056 PolarHBondContact O-N 3.09Å; C1053-R1056 VanDerWaalsContact O-N 3.12Å; C1053-C1065 WeakPolarHBondContact CA-SG 3.47Å; C1053-C1065 HydrophobicContact CB-CB 3.61Å; C1053-C1065 WeakPolarHBondContact CB-SG 3.42Å; C1053-C1065 WeakPolarHBondContact SG-CB 3.48Å; C1053-C1065 PolarHBondContact SG-O 3.37Å; C1053-C1065 VanDerWaalsContact SG-O 3.42Å; C1053-C1065 CovalentContact SG-SG 2.03Å; C1053-C1065 PolarHBondContact SG-SG 2.96Å; C1053-I1066 HydrophobicContact CB-CG1 4.07Å; C1053-E1069 PolarHBondContact SG-OE2 3.12Å; C1053-E1069 VanDerWaalsContact SG-OE2 3.41Å
1054	E	73.5	Confident	80.5	Confident	189 Å²	189	65.5 Å²	65.5	88%	0.883	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-56.8	-24.7	175.1	-61.8	-169.7	156.9	0	0	113.7	H1052 R1056	H1052-E1054 VanDerWaalsContact C-N 3.33Å; H1052-E1054 PolarHBondContact O-N 2.9Å; E1054-R1056 PolarHBondContact O-N 3.38Å
1055	S	68.8	Low	80.2	Confident	97 Å²	97	65.6 Å²	65.6	68%	0.678	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-70.2	-16.5	179.5	69.5	0	0	0	0	114.4	H1052 C1053	H1052-S1055 WeakPolarHBondContact O-CB 3.44Å; H1052-S1055 PolarHBondContact O-N 3.15Å; H1052-S1055 PolarHBondContact O-OG 3.37Å; C1053-S1055 PolarHBondContact O-N 3.47Å; C1053-S1055 VanDerWaalsContact O-N 3.09Å
1056	R	70.6	Confident	80	Confident	62 Å²	62	66 Å²	66	23%	0.234	34%	0.34	C	S	.	.			trans	-77.4	132.3	180	-63.3	-176.2	176.3	-164.2	1.6	110.3	C1053 E1054 E1061 R1062 C1065	C1053-R1056 PolarHBondContact O-N 3.09Å; C1053-R1056 VanDerWaalsContact O-N 3.12Å; E1054-R1056 PolarHBondContact O-N 3.38Å; R1056-E1061 HydrophobicContact CB-CB 4.34Å; R1056-E1061 WeakPolarHBondContact CD-O 3.41Å; R1056-E1061 PolarHBondContact NH1-O 2.65Å; R1056-R1062 HydrophobicContact CB-CB 4.23Å; R1056-R1062 PolarHBondContact O-NE 3.21Å; R1056-R1062 PolarHBondContact O-NH2 3.05Å; R1056-C1065 VanDerWaalsContact CZ-SG 3.58Å; R1056-C1065 PolarHBondContact NE-SG 2.95Å
1057	T	65.4	Low	79.8	Confident	127 Å²	127	69.3 Å²	69.3	78%	0.779	36%	0.36	S	S	*	.			trans	-86.3	-36	-176.3	48.8	0	0	0	0	113.8	R1062	T1057-R1062 PolarHBondContact O-NH2 3.01Å
1058	D	73.7	Confident	79.8	Confident	80 Å²	80	67.6 Å²	67.6	43%	0.428	35%	0.354	S	S	.	.	S	Bend	trans	-74.1	143	174.7	-166.2	-27.4	0	0	0	109.6	V1060 E1061 R1062	D1058-V1060 PolarHBondContact OD1-N 3.21Å; D1058-E1061 HydrophobicContact CB-CB 4Å; D1058-E1061 HydrophobicContact CB-CG 3.75Å; D1058-R1062 VanDerWaalsContact O-CB 3.3Å; D1058-R1062 WeakPolarHBondContact O-CB 3.4Å; D1058-R1062 PolarHBondContact O-N 3.33Å; D1058-R1062 VanDerWaalsContact O-N 3.15Å
1059	N	77.9	Confident	79.8	Confident	101 Å²	101	68 Å²	68	54%	0.54	36%	0.356	S	S	.	.	H	α-helix	trans	-68.3	-41.3	174.3	-64.5	-12.9	0	0	0	110.7	E1061 R1062 D1063	N1059-E1061 PolarHBondContact O-N 3.41Å; N1059-R1062 PolarHBondContact O-N 2.81Å; N1059-R1062 VanDerWaalsContact O-N 3.13Å; N1059-R1062 PolarHBondContact OD1-NH1 3.02Å; N1059-D1063 WeakPolarHBondContact O-CB 3.47Å; N1059-D1063 PolarHBondContact O-N 3.01Å
1060	V	78.2	Confident	79.9	Confident	86 Å²	86	72.1 Å²	72.1	52%	0.521	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-43.9	-178.7	-175.5	0	0	0	0	110.8	D1058 R1062 Q1064	D1058-V1060 PolarHBondContact OD1-N 3.21Å; V1060-R1062 VanDerWaalsContact C-N 3.29Å; V1060-R1062 PolarHBondContact O-N 3.19Å; V1060-Q1064 WeakPolarHBondContact O-CB 3.49Å; V1060-Q1064 VanDerWaalsContact O-CG 3.28Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.5Å; V1060-Q1064 PolarHBondContact O-N 2.84Å; V1060-Q1064 VanDerWaalsContact O-N 3.1Å
1061	E	75.9	Confident	80.1	Confident	53 Å²	53	70.9 Å²	70.9	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-62.3	-35.8	174.3	-65.6	-174.5	139.8	0	0	112.2	H1023 R1056 D1058 N1059 C1065	H1023-E1061 IonicContact CE1-OE1 3.47Å; H1023-E1061 PolarHBondContact CE1-OE1 3.03Å; H1023-E1061 IonicContact ND1-OE1 2.83Å; H1023-E1061 IonicContact NE2-OE1 3.59Å; R1056-E1061 HydrophobicContact CB-CB 4.34Å; R1056-E1061 WeakPolarHBondContact CD-O 3.41Å; R1056-E1061 PolarHBondContact NH1-O 2.65Å; D1058-E1061 HydrophobicContact CB-CB 4Å; D1058-E1061 HydrophobicContact CB-CG 3.75Å; N1059-E1061 PolarHBondContact O-N 3.41Å; E1061-C1065 WeakPolarHBondContact O-CB 3.46Å; E1061-C1065 PolarHBondContact O-N 3.06Å; E1061-C1065 VanDerWaalsContact O-N 3.13Å
1062	R	82	Confident	80.5	Confident	61 Å²	61	70.1 Å²	70.1	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-73.5	-45.3	-179.4	-168.9	-177.6	-46.3	101.3	8	111.8	R1056 T1057 D1058 N1059 V1060 Q1064 C1065 I1066	R1056-R1062 HydrophobicContact CB-CB 4.23Å; R1056-R1062 PolarHBondContact O-NE 3.21Å; R1056-R1062 PolarHBondContact O-NH2 3.05Å; T1057-R1062 PolarHBondContact O-NH2 3.01Å; D1058-R1062 VanDerWaalsContact O-CB 3.3Å; D1058-R1062 WeakPolarHBondContact O-CB 3.4Å; D1058-R1062 PolarHBondContact O-N 3.33Å; D1058-R1062 VanDerWaalsContact O-N 3.15Å; N1059-R1062 PolarHBondContact O-N 2.81Å; N1059-R1062 VanDerWaalsContact O-N 3.13Å; N1059-R1062 PolarHBondContact OD1-NH1 3.02Å; V1060-R1062 VanDerWaalsContact C-N 3.29Å; V1060-R1062 PolarHBondContact O-N 3.19Å; R1062-Q1064 VanDerWaalsContact C-N 3.34Å; R1062-Q1064 PolarHBondContact O-N 3.37Å; R1062-C1065 WeakPolarHBondContact O-CA 3.26Å; R1062-C1065 WeakPolarHBondContact O-CB 3.28Å; R1062-C1065 PolarHBondContact O-N 2.93Å; R1062-C1065 VanDerWaalsContact O-N 3.08Å; R1062-I1066 HydrophobicContact CG-CD1 4.02Å; R1062-I1066 WeakPolarHBondContact O-CG1 3.38Å; R1062-I1066 PolarHBondContact O-N 3.14Å
1063	D	84.6	Confident	80.9	Confident	95 Å²	95	67.9 Å²	67.9	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-40.8	-179.6	-62.6	-17.4	0	0	0	110.4	N1059 C1065 I1066 V1067	N1059-D1063 WeakPolarHBondContact O-CB 3.47Å; N1059-D1063 PolarHBondContact O-N 3.01Å; D1063-C1065 VanDerWaalsContact C-N 3.34Å; D1063-C1065 PolarHBondContact O-N 2.88Å; D1063-I1066 PolarHBondContact O-N 2.71Å; D1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; D1063-V1067 PolarHBondContact O-N 3.27Å
1064	Q	84	Confident	81.1	Confident	47 Å²	47	67.9 Å²	67.9	22%	0.22	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-42.2	169.7	-72.7	176.4	5.5	0	0	112.3	V1060 R1062 I1066 V1067 Q1068	V1060-Q1064 WeakPolarHBondContact O-CB 3.49Å; V1060-Q1064 VanDerWaalsContact O-CG 3.28Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.5Å; V1060-Q1064 PolarHBondContact O-N 2.84Å; V1060-Q1064 VanDerWaalsContact O-N 3.1Å; R1062-Q1064 VanDerWaalsContact C-N 3.34Å; R1062-Q1064 PolarHBondContact O-N 3.37Å; Q1064-I1066 PolarHBondContact O-N 3.02Å; Q1064-V1067 PolarHBondContact O-N 2.89Å; Q1064-Q1068 WeakPolarHBondContact O-CG 3.37Å; Q1064-Q1068 PolarHBondContact O-N 2.86Å
1065	C	87	Confident	81.6	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-46	176.9	-166.7	0	0	0	0	112	C1053 R1056 E1061 R1062 D1063 V1067 Q1068 E1069	C1053-C1065 WeakPolarHBondContact CA-SG 3.47Å; C1053-C1065 HydrophobicContact CB-CB 3.61Å; C1053-C1065 WeakPolarHBondContact CB-SG 3.42Å; C1053-C1065 WeakPolarHBondContact SG-CB 3.48Å; C1053-C1065 PolarHBondContact SG-O 3.37Å; C1053-C1065 VanDerWaalsContact SG-O 3.42Å; C1053-C1065 CovalentContact SG-SG 2.03Å; C1053-C1065 PolarHBondContact SG-SG 2.96Å; R1056-C1065 VanDerWaalsContact CZ-SG 3.58Å; R1056-C1065 PolarHBondContact NE-SG 2.95Å; E1061-C1065 WeakPolarHBondContact O-CB 3.46Å; E1061-C1065 PolarHBondContact O-N 3.06Å; E1061-C1065 VanDerWaalsContact O-N 3.13Å; R1062-C1065 WeakPolarHBondContact O-CA 3.26Å; R1062-C1065 WeakPolarHBondContact O-CB 3.28Å; R1062-C1065 PolarHBondContact O-N 2.93Å; R1062-C1065 VanDerWaalsContact O-N 3.08Å; D1063-C1065 VanDerWaalsContact C-N 3.34Å; D1063-C1065 PolarHBondContact O-N 2.88Å; C1065-V1067 VanDerWaalsContact C-N 3.3Å; C1065-V1067 PolarHBondContact O-N 3.06Å; C1065-Q1068 WeakPolarHBondContact O-CB 3.29Å; C1065-Q1068 PolarHBondContact O-N 3.16Å; C1065-E1069 WeakPolarHBondContact O-CB 3.13Å; C1065-E1069 PolarHBondContact O-N 3.21Å
1066	I	88.2	Confident	82.2	Confident	68 Å²	68	62 Å²	62	35%	0.349	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-37.6	179.7	-68.6	164.5	0	0	0	110.3	C1053 R1062 D1063 Q1064 N1070	C1053-I1066 HydrophobicContact CB-CG1 4.07Å; R1062-I1066 HydrophobicContact CG-CD1 4.02Å; R1062-I1066 WeakPolarHBondContact O-CG1 3.38Å; R1062-I1066 PolarHBondContact O-N 3.14Å; D1063-I1066 PolarHBondContact O-N 2.71Å; Q1064-I1066 PolarHBondContact O-N 3.02Å; I1066-N1070 WeakPolarHBondContact CG2-ND2 3.33Å; I1066-N1070 WeakPolarHBondContact O-CB 3.3Å; I1066-N1070 PolarHBondContact O-N 2.85Å; I1066-N1070 PolarHBondContact O-ND2 3.37Å
1067	V	87.4	Confident	82.8	Confident	69 Å²	69	61.9 Å²	61.9	42%	0.418	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-50.3	171.9	174.1	0	0	0	0	110.9	L999 D1063 Q1064 C1065 E1069 N1070 E1071	L999-V1067 HydrophobicContact CD1-CB 4.21Å; L999-V1067 HydrophobicContact CD1-CG1 3.82Å; D1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; D1063-V1067 PolarHBondContact O-N 3.27Å; Q1064-V1067 PolarHBondContact O-N 2.89Å; C1065-V1067 VanDerWaalsContact C-N 3.3Å; C1065-V1067 PolarHBondContact O-N 3.06Å; V1067-E1069 VanDerWaalsContact C-N 3.32Å; V1067-E1069 PolarHBondContact O-N 2.95Å; V1067-N1070 PolarHBondContact O-N 2.02Å; V1067-E1071 HydrophobicContact CG1-CG 4.33Å; V1067-E1071 WeakPolarHBondContact O-CG 3.39Å; V1067-E1071 PolarHBondContact O-N 3.07Å
1068	Q	87.9	Confident	83.7	Confident	5 Å²	5	57.6 Å²	57.6	2%	0.023	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-41.4	178.5	-67.7	177.2	-73.4	0	0	112.9	D997 L999 Q1064 C1065 S1072	D997-Q1068 PolarHBondContact OD1-NE2 3.5Å; D997-Q1068 PolarHBondContact OD2-NE2 3.03Å; L999-Q1068 VanDerWaalsContact C-NE2 3.27Å; L999-Q1068 HydrophobicContact CB-CG 3.7Å; L999-Q1068 HydrophobicContact CD1-CG 4.11Å; L999-Q1068 PolarHBondContact O-NE2 2.9Å; Q1064-Q1068 WeakPolarHBondContact O-CG 3.37Å; Q1064-Q1068 PolarHBondContact O-N 2.86Å; C1065-Q1068 WeakPolarHBondContact O-CB 3.29Å; C1065-Q1068 PolarHBondContact O-N 3.16Å; Q1068-S1072 VanDerWaalsContact O-CB 3.29Å; Q1068-S1072 WeakPolarHBondContact O-CB 3.49Å; Q1068-S1072 PolarHBondContact O-N 2.99Å; Q1068-S1072 PolarHBondContact O-OG 3.38Å
1069	E	88.1	Confident	84.2	Confident	76 Å²	76	56.2 Å²	56.2	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-53.8	176.5	-172.9	-177.6	177.3	0	0	110.3	C1053 C1065 V1067 E1071 S1072 L1073	C1053-E1069 PolarHBondContact SG-OE2 3.12Å; C1053-E1069 VanDerWaalsContact SG-OE2 3.41Å; C1065-E1069 WeakPolarHBondContact O-CB 3.13Å; C1065-E1069 PolarHBondContact O-N 3.21Å; V1067-E1069 VanDerWaalsContact C-N 3.32Å; V1067-E1069 PolarHBondContact O-N 2.95Å; E1069-E1071 PolarHBondContact O-N 2.91Å; E1069-S1072 PolarHBondContact O-N 3.05Å; E1069-S1072 VanDerWaalsContact O-N 3.09Å; E1069-S1072 PolarHBondContact O-OG 3.18Å; E1069-L1073 PolarHBondContact O-N 2.9Å
1070	N	86.7	Confident	84.5	Confident	88 Å²	88	53 Å²	53	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-43	179.3	-79.8	-71.8	0	0	0	113.2	I1066 V1067 S1072 L1073	I1066-N1070 WeakPolarHBondContact CG2-ND2 3.33Å; I1066-N1070 WeakPolarHBondContact O-CB 3.3Å; I1066-N1070 PolarHBondContact O-N 2.85Å; I1066-N1070 PolarHBondContact O-ND2 3.37Å; V1067-N1070 PolarHBondContact O-N 2.02Å; N1070-S1072 PolarHBondContact O-N 2.89Å; N1070-L1073 WeakPolarHBondContact O-CB 3.2Å; N1070-L1073 WeakPolarHBondContact O-CG 2.96Å; N1070-L1073 PolarHBondContact O-N 2.04Å
1071	E	86.1	Confident	84.8	Confident	70 Å²	70	52.6 Å²	52.6	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-68.8	-23.5	176.8	-66.2	-161.1	128.7	0	0	112.4	Q736 Y969 H995 V1067 E1069 L1073	Q736-E1071 PolarHBondContact NE2-OE1 3.23Å; Y969-E1071 WeakPolarHBondContact CE1-O 3.2Å; H995-E1071 PolarHBondContact CE1-O 3.37Å; H995-E1071 VanDerWaalsContact CE1-O 3.26Å; H995-E1071 PolarHBondContact ND1-O 2.9Å; V1067-E1071 HydrophobicContact CG1-CG 4.33Å; V1067-E1071 WeakPolarHBondContact O-CG 3.39Å; V1067-E1071 PolarHBondContact O-N 3.07Å; E1069-E1071 PolarHBondContact O-N 2.91Å; E1071-L1073 VanDerWaalsContact C-N 3.34Å
1072	S	86.1	Confident	85.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.4	174.6	82.2	0	0	0	0	114.9	Y969 S970 H1048 Q1068 E1069 N1070	Y969-S1072 CarbonylContact C-O 3.56Å; Y969-S1072 VanDerWaalsContact CA-O 3.26Å; Y969-S1072 WeakPolarHBondContact CA-O 3.46Å; S970-S1072 PolarHBondContact N-O 3.34Å; H1048-S1072 PolarHBondContact CE1-OG 3.44Å; H1048-S1072 VanDerWaalsContact CE1-OG 3.28Å; H1048-S1072 PolarHBondContact ND1-O 3.18Å; H1048-S1072 VanDerWaalsContact ND1-O 3.13Å; H1048-S1072 PolarHBondContact ND1-OG 3.24Å; Q1068-S1072 VanDerWaalsContact O-CB 3.29Å; Q1068-S1072 WeakPolarHBondContact O-CB 3.49Å; Q1068-S1072 PolarHBondContact O-N 2.99Å; Q1068-S1072 PolarHBondContact O-OG 3.38Å; E1069-S1072 PolarHBondContact O-N 3.05Å; E1069-S1072 VanDerWaalsContact O-N 3.09Å; E1069-S1072 PolarHBondContact O-OG 3.18Å; N1070-S1072 PolarHBondContact O-N 2.89Å
1073	L	87	Confident	85.2	Confident	41 Å²	41	55.5 Å²	55.5	22%	0.215	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-44.3	179.5	-61.5	177.9	0	0	0	112.4	F973 E1069 N1070 E1071 L1079	F973-L1073 HydrophobicContact CD2-CB 4.35Å; F973-L1073 HydrophobicContact CD2-CD2 4.05Å; F973-L1073 HydrophobicContact CE2-CD2 3.96Å; E1069-L1073 PolarHBondContact O-N 2.9Å; N1070-L1073 WeakPolarHBondContact O-CB 3.2Å; N1070-L1073 WeakPolarHBondContact O-CG 2.96Å; N1070-L1073 PolarHBondContact O-N 2.04Å; E1071-L1073 VanDerWaalsContact C-N 3.34Å; L1073-L1079 HydrophobicContact CB-CD2 4.06Å
1074	G	84.1	Confident	85.1	Confident	7 Å²	7	58.6 Å²	58.6	7%	0.072	31%	0.311	C	S	.	.			trans	169.7	163.5	-176.2	0	0	0	0	0	113	Y969 L1079	Y969-G1074 VanDerWaalsContact CD1-CA 3.46Å; G1074-L1079 WeakPolarHBondContact O-CD1 3.47Å
1075	S	83.8	Confident	84.9	Confident	10 Å²	10	60.8 Å²	60.8	7%	0.07	33%	0.331	C	S	.	.			trans	-65.2	154.4	172.9	70.9	0	0	0	0	111.6	A1077 Q1078 L1079	S1075-A1077 PolarHBondContact O-N 3.16Å; S1075-Q1078 VanDerWaalsContact CB-OE1 3.28Å; S1075-Q1078 PolarHBondContact O-N 3.17Å; S1075-Q1078 WeakPolarHBondContact OG-CG 3.02Å; S1075-Q1078 PolarHBondContact OG-N 3.37Å; S1075-Q1078 PolarHBondContact OG-OE1 3.25Å; S1075-L1079 PolarHBondContact O-N 3.3Å
1076	K	81.7	Confident	84.4	Confident	152 Å²	152	70.1 Å²	70.1	66%	0.661	37%	0.366	S	S	*	.	H	α-helix	trans	-48.1	-34.6	176.3	-67	-179	178.2	179.5	0	113.1	N735 A1080	N735-K1076 PolarHBondContact O-NZ 3.18Å; K1076-A1080 VanDerWaalsContact O-CB 3.24Å; K1076-A1080 WeakPolarHBondContact O-CB 3.3Å; K1076-A1080 PolarHBondContact O-N 2.92Å; K1076-A1080 VanDerWaalsContact O-N 3.09Å
1077	A	82.3	Confident	83.3	Confident	61 Å²	61	73.5 Å²	73.5	50%	0.504	40%	0.396	S	S	.	.	H	α-helix	trans	-75.3	-39.4	177.9	0	0	0	0	0	113.4	S1075 S1081	S1075-A1077 PolarHBondContact O-N 3.16Å; A1077-S1081 VanDerWaalsContact O-CB 3.3Å; A1077-S1081 WeakPolarHBondContact O-CB 3.28Å; A1077-S1081 PolarHBondContact O-N 3.09Å
1078	Q	84.3	Confident	83.1	Confident	36 Å²	36	73.7 Å²	73.7	17%	0.168	40%	0.395	C	S	.	.	H	α-helix	trans	-68	-45.2	175.9	-74.3	158	-48.4	0	0	111.1	A974 D992 S1075 A1080 S1081 F1082	A974-Q1078 HydrophobicContact CB-CB 4.45Å; A974-Q1078 HydrophobicContact CB-CG 4.49Å; D992-Q1078 PolarHBondContact O-NE2 3.43Å; S1075-Q1078 VanDerWaalsContact CB-OE1 3.28Å; S1075-Q1078 PolarHBondContact O-N 3.17Å; S1075-Q1078 WeakPolarHBondContact OG-CG 3.02Å; S1075-Q1078 PolarHBondContact OG-N 3.37Å; S1075-Q1078 PolarHBondContact OG-OE1 3.25Å; Q1078-A1080 PolarHBondContact O-N 3.09Å; Q1078-S1081 WeakPolarHBondContact O-CB 3.46Å; Q1078-S1081 PolarHBondContact O-N 3.07Å; Q1078-F1082 WeakPolarHBondContact O-CB 3.45Å; Q1078-F1082 PolarHBondContact O-N 3.15Å
1079	L	84.8	Confident	82.9	Confident	51 Å²	51	77.3 Å²	77.3	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-63	-42.1	176.7	-62.7	177.7	0	0	0	111.7	F973 L1073 G1074 S1075 F1082 L1083	F973-L1079 HydrophobicContact CB-CD2 4Å; L1073-L1079 HydrophobicContact CB-CD2 4.06Å; G1074-L1079 WeakPolarHBondContact O-CD1 3.47Å; S1075-L1079 PolarHBondContact O-N 3.3Å; L1079-F1082 PolarHBondContact O-N 3.38Å; L1079-L1083 WeakPolarHBondContact O-CG 3.07Å; L1079-L1083 PolarHBondContact O-N 3.34Å
1080	A	84.4	Confident	82.6	Confident	35 Å²	35	77.4 Å²	77.4	29%	0.289	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-44.8	172.1	0	0	0	0	0	112	K1076 Q1078 F1082 L1083 F1084	K1076-A1080 VanDerWaalsContact O-CB 3.24Å; K1076-A1080 WeakPolarHBondContact O-CB 3.3Å; K1076-A1080 PolarHBondContact O-N 2.92Å; K1076-A1080 VanDerWaalsContact O-N 3.09Å; Q1078-A1080 PolarHBondContact O-N 3.09Å; A1080-F1082 VanDerWaalsContact C-N 3.33Å; A1080-F1082 PolarHBondContact O-N 3.47Å; A1080-L1083 PolarHBondContact O-N 3.07Å; A1080-F1084 HydrophobicContact CB-CD2 4.41Å; A1080-F1084 HydrophobicContact CB-CE2 4.31Å; A1080-F1084 WeakPolarHBondContact O-CB 3.03Å; A1080-F1084 WeakPolarHBondContact O-CD2 3.5Å; A1080-F1084 WeakPolarHBondContact O-CG 3.38Å; A1080-F1084 PolarHBondContact O-N 3.12Å
1081	S	83.5	Confident	82.3	Confident	76 Å²	76	76.8 Å²	76.8	53%	0.531	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-39.6	176.4	-169.6	0	0	0	0	112.4	A1077 Q1078 F1084 S1085	A1077-S1081 VanDerWaalsContact O-CB 3.3Å; A1077-S1081 WeakPolarHBondContact O-CB 3.28Å; A1077-S1081 PolarHBondContact O-N 3.09Å; Q1078-S1081 WeakPolarHBondContact O-CB 3.46Å; Q1078-S1081 PolarHBondContact O-N 3.07Å; S1081-F1084 PolarHBondContact O-N 3.03Å; S1081-S1085 WeakPolarHBondContact O-CB 3.47Å; S1081-S1085 PolarHBondContact O-N 3.14Å; S1081-S1085 PolarHBondContact O-OG 3.2Å
1082	F	82.5	Confident	82.1	Confident	56 Å²	56	77.2 Å²	77.2	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-67.2	-38.8	176.8	-178.7	-92.3	0	0	0	112.3	F973 Q1078 L1079 A1080 S1085 R1086	F973-F1082 AromaticContact CD1-CD1 3.94Å; F973-F1082 HydrophobicContact CD1-CD1 3.94Å; F973-F1082 HydrophobicContact CD1-CD2 4.22Å; F973-F1082 AromaticContact CD1-CE1 3.63Å; F973-F1082 HydrophobicContact CD1-CE1 3.63Å; F973-F1082 AromaticContact CD1-CE2 3.92Å; F973-F1082 HydrophobicContact CD1-CE2 3.92Å; F973-F1082 HydrophobicContact CD1-CG 4.22Å; F973-F1082 AromaticContact CD1-CZ 3.6Å; F973-F1082 HydrophobicContact CD1-CZ 3.6Å; F973-F1082 HydrophobicContact CE1-CD1 4.43Å; F973-F1082 AromaticContact CE1-CE1 3.71Å; F973-F1082 HydrophobicContact CE1-CE1 3.71Å; F973-F1082 HydrophobicContact CE1-CE2 4.39Å; F973-F1082 AromaticContact CE1-CZ 3.68Å; F973-F1082 HydrophobicContact CE1-CZ 3.68Å; Q1078-F1082 WeakPolarHBondContact O-CB 3.45Å; Q1078-F1082 PolarHBondContact O-N 3.15Å; L1079-F1082 PolarHBondContact O-N 3.38Å; A1080-F1082 VanDerWaalsContact C-N 3.33Å; A1080-F1082 PolarHBondContact O-N 3.47Å; F1082-S1085 WeakPolarHBondContact CA-OG 3.45Å; F1082-S1085 PolarHBondContact O-OG 2.76Å; F1082-R1086 WeakPolarHBondContact O-CB 3.47Å
1083	L	84.4	Confident	81.8	Confident	120 Å²	120	82.3 Å²	82.3	63%	0.628	45%	0.448	S	S	*	.	H	α-helix	trans	-65.6	-48.2	172.2	-68.9	169.3	0	0	0	111.1	L1079 A1080 S1085 R1086 S1087	L1079-L1083 WeakPolarHBondContact O-CG 3.07Å; L1079-L1083 PolarHBondContact O-N 3.34Å; A1080-L1083 PolarHBondContact O-N 3.07Å; L1083-S1085 VanDerWaalsContact C-N 3.27Å; L1083-S1085 PolarHBondContact O-N 2.95Å; L1083-R1086 PolarHBondContact O-N 2.78Å; L1083-S1087 PolarHBondContact O-N 3.5Å; L1083-S1087 PolarHBondContact O-OG 3.07Å
1084	F	83	Confident	81.5	Confident	160 Å²	160	85.2 Å²	85.2	70%	0.702	46%	0.464	S	S	*	.	H	α-helix	trans	-66	-22.9	178.1	-73.9	-55	0	0	0	114.3	A1080 S1081 R1086 S1087	A1080-F1084 HydrophobicContact CB-CD2 4.41Å; A1080-F1084 HydrophobicContact CB-CE2 4.31Å; A1080-F1084 WeakPolarHBondContact O-CB 3.03Å; A1080-F1084 WeakPolarHBondContact O-CD2 3.5Å; A1080-F1084 WeakPolarHBondContact O-CG 3.38Å; A1080-F1084 PolarHBondContact O-N 3.12Å; S1081-F1084 PolarHBondContact O-N 3.03Å; F1084-R1086 VanDerWaalsContact C-N 3.29Å; F1084-S1087 PolarHBondContact O-OG 3.05Å
1085	S	80.3	Confident	81.3	Confident	92 Å²	92	91.2 Å²	91.2	64%	0.643	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.2	172.1	63.3	0	0	0	0	114.1	S1081 F1082 L1083	S1081-S1085 WeakPolarHBondContact O-CB 3.47Å; S1081-S1085 PolarHBondContact O-N 3.14Å; S1081-S1085 PolarHBondContact O-OG 3.2Å; F1082-S1085 WeakPolarHBondContact CA-OG 3.45Å; F1082-S1085 PolarHBondContact O-OG 2.76Å; L1083-S1085 VanDerWaalsContact C-N 3.27Å; L1083-S1085 PolarHBondContact O-N 2.95Å
1086	R	75.7	Confident	81	Confident	198 Å²	198	98 Å²	98	75%	0.747	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-11.1	-174.5	-163	169.7	-175.7	162.5	0	113.2	F1082 L1083 F1084	F1082-R1086 WeakPolarHBondContact O-CB 3.47Å; L1083-R1086 PolarHBondContact O-N 2.78Å; F1084-R1086 VanDerWaalsContact C-N 3.29Å
1087	S	65.7	Low	81	Confident	139 Å²	139	93.1 Å²	93.1	97%	0.972	52%	0.518	S	S	*	.			trans	-88.3	0	167.8	62.3	0	0	0	0	111.9	L1083 F1084	L1083-S1087 PolarHBondContact O-N 3.5Å; L1083-S1087 PolarHBondContact O-OG 3.07Å; F1084-S1087 PolarHBondContact O-OG 3.05Å

Retrieved 1,087 of 1,087 residues in 457.8 ms (Link to these results)

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