A0A087XTN8_POEFO Loading...

WD repeat and HMG-box DNA-binding protein 1

Core replisome component that acts as a replication initiation factor. Binds directly to the CMG complex and functions as a hub to recruit additional proteins to the replication fork.

AlphaFold DB , UniProt , Accession A0A087XTN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 994 aa.

						>A0A087XTN8_POEFO|A0A087XTN8
MVKVVEVSDSSQQKTLRGHEAPVLSVTFDPKDEYLASSSCDGSVVVWNIEDQTRVTSWPLLQKTNDVSNAASLCRLAFQPAAGKLLAVPVETRVHLYERGSWDQVGSLSDELLTQPVNVAAWSPCGRFLAAGAVGGLLTIWDVNSRLVVERQKHEKGFTVCSLAWHPSGSQIAYTDTEGCLGLLDGLSISGTGTGSTTAPAAKPAKGYDDLFDEDDDRLMDEGLSDTNSPVKKAAAAEDEDDDDFLIPSTGRVRNRGAILDDENSLDTGSLKLGQDKFGEDDDDDAGSSVAPAAAAPLRPVYDGPVPTPPQKAFQPGSTPAHLTHRFMMWNSVGIVRGYNDEQDNAIDVEFHDTAVHHAMHLTNSLGHTMADLSQEAVLLACPSTDDLASKLQCLHFSSWDTNKEWMVDLPQGEDVKALCLGQGWAAVATSALLLRLFSVGGVQREICSLPGPVVCMAGHGEQLLVVYHRATGFDGEQALGVQLLQFGRRKRQLMSGEPLPLSPKSYLCWAGFTAEGTACYVDSNGLVRMLNRALGNTWTPVCNTRETCKSKSDHYWVVGAHENPQQLRCIPCKGSRYPPTLPRPAVAILPFKLPLCQTSTEKGQMEEQYWRSVLFHNHFSFLSSSGYEVDEAAQTQSDKEQQELLMKMFALSCKLEREFRCVELAELMTQNVVTLAIRYASRSRRMNLAQRLNEIALEKSTQLQEDEEPEEEPEFSSDRRTSGYRQTEPYNTRQNDEQQEEDEEECEEEEDGREMETEETKRCLNPFAKESGLPAKPSLTPVGRVGRSNPFKVADSGKPTSSSGQARVSNILDNMRSSRKLAPLSGSAGKPSKGPVLKPLAPRTKAKAQSTLLQISSNKTANKKTLEAAEPAADLQKQPDTAAPPAENTENKRPKTGFQLWLDENRKIIIADNPDLDETDVIKEAMGRFRTLSADERLLWTERAKGQSGETADVKKRKRAENEAVESDESNARKKLSSLDPSSKLSAFAFSKN
					

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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	83.4	Confident	83.4	Confident	109 Å²	109	84.3 Å²	84.3	54%	0.537	49%	0.488	S	S	.	.				0	141.1	0	-178.8	-171	-65	0	0	108.1	T15 L16	M1-T15 HydrophobicContact CE-CG2 4.41Å; M1-T15 HydrophobicContact CG-CG2 3.84Å; M1-T15 HydrophobicContact SD-CG2 3.65Å; M1-L16 WeakPolarHBondContact CA-O 3.37Å
2	V	88.1	Confident	82.9	Confident	15 Å²	15	86.1 Å²	86.1	9%	0.091	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.2	170.6	-174.3	0	0	0	0	108.8	L16 V23 V26 L35	V2-L16 HydrophobicContact CB-CB 4.27Å; V2-L16 PolarHBondContact N-O 2.67Å; V2-L16 PolarHBondContact O-N 2.95Å; V2-V23 HydrophobicContact CG2-CG1 4.21Å; V2-V23 HydrophobicContact CG2-CG2 3.99Å; V2-V26 HydrophobicContact CG1-CG1 3.99Å; V2-V26 HydrophobicContact CG2-CG1 4.11Å; V2-L35 HydrophobicContact CG1-CD2 3.73Å
3	K	89.3	Confident	83.1	Confident	115 Å²	115	87.1 Å²	87.1	50%	0.5	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.6	171.3	-72.3	-170.5	171.9	-167.4	0	109.5	V5 K14 T15	K3-V5 HydrophobicContact CB-CG2 4.39Å; K3-K14 WeakPolarHBondContact CA-O 3.47Å; K3-T15 HydrophobicContact CG-CG2 4.36Å
4	V	87.5	Confident	83.3	Confident	24 Å²	24	86.4 Å²	86.4	15%	0.145	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.6	165.1	179.9	0	0	0	0	106.1	Q13 K14 L16 F28 L35 I49	V4-Q13 CarbonylContact O-C 3.57Å; V4-Q13 VanDerWaalsContact O-CA 3.32Å; V4-Q13 WeakPolarHBondContact O-CA 3.29Å; V4-K14 HydrophobicContact CB-CB 4.47Å; V4-K14 PolarHBondContact N-O 2.89Å; V4-K14 PolarHBondContact O-N 3.19Å; V4-L16 HydrophobicContact CG2-CD1 4.29Å; V4-F28 HydrophobicContact CG1-CE1 4.02Å; V4-F28 HydrophobicContact CG1-CZ 4.12Å; V4-F28 HydrophobicContact CG2-CE1 4.21Å; V4-F28 HydrophobicContact CG2-CZ 4.17Å; V4-L35 HydrophobicContact CG2-CD2 4.26Å; V4-I49 HydrophobicContact CG1-CG2 4.42Å
5	V	89.4	Confident	83.6	Confident	70 Å²	70	82.8 Å²	82.8	42%	0.424	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.9	-176.8	-177.3	0	0	0	0	107.7	K3 Q12 Q13	K3-V5 HydrophobicContact CB-CG2 4.39Å; V5-Q12 WeakPolarHBondContact CA-O 3.46Å; V5-Q13 HydrophobicContact CG2-CB 4.08Å
6	E	82.1	Confident	84	Confident	100 Å²	100	77.8 Å²	77.8	47%	0.467	43%	0.43	S	S	.	.			trans	-73.3	138	178.3	-152.9	-173.8	127.3	0	0	110.8	S8 D9 Q12	E6-S8 VanDerWaalsContact OE1-CB 3.22Å; E6-S8 WeakPolarHBondContact OE1-CB 3.38Å; E6-S8 PolarHBondContact OE1-OG 2.97Å; E6-D9 CarbonylContact O-C 3.5Å; E6-Q12 HydrophobicContact CB-CB 3.94Å; E6-Q12 PolarHBondContact N-O 2.87Å
7	V	83.4	Confident	84	Confident	152 Å²	152	83.9 Å²	83.9	92%	0.921	45%	0.445	S	S	*	.	S	Bend	trans	-76.7	-28.5	-178.3	-176.1	0	0	0	0	111.3
8	S	84.1	Confident	83.8	Confident	102 Å²	102	81.7 Å²	81.7	71%	0.713	45%	0.446	S	S	*	.	S	Bend	trans	-68.6	-45.5	175.5	-11	0	0	0	0	112.2	E6	E6-S8 VanDerWaalsContact OE1-CB 3.22Å; E6-S8 WeakPolarHBondContact OE1-CB 3.38Å; E6-S8 PolarHBondContact OE1-OG 2.97Å
9	D	77.1	Confident	84	Confident	64 Å²	64	78.4 Å²	78.4	34%	0.342	43%	0.427	S	S	.	.			trans	-136.8	106.1	179	177.4	16.3	0	0	0	111.5	E6 S11 Q12	E6-D9 CarbonylContact O-C 3.5Å; D9-S11 VanDerWaalsContact CG-OG 3.26Å; D9-S11 PolarHBondContact O-N 3.3Å; D9-S11 VanDerWaalsContact OD1-CB 3.22Å; D9-S11 WeakPolarHBondContact OD1-CB 3.38Å; D9-S11 PolarHBondContact OD1-N 2.86Å; D9-S11 PolarHBondContact OD1-OG 3.22Å; D9-S11 PolarHBondContact OD2-OG 3.02Å; D9-Q12 HydrophobicContact CB-CG 4.26Å; D9-Q12 PolarHBondContact O-N 3.32Å
10	S	77.9	Confident	84.1	Confident	104 Å²	104	82.9 Å²	82.9	73%	0.727	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-8.8	175.8	63.1	0	0	0	0	115.5
11	S	75.1	Confident	84.2	Confident	72 Å²	72	80.2 Å²	80.2	50%	0.503	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-31.9	170.8	95.6	0	0	0	0	112.2	D9 Q13	D9-S11 VanDerWaalsContact CG-OG 3.26Å; D9-S11 PolarHBondContact O-N 3.3Å; D9-S11 VanDerWaalsContact OD1-CB 3.22Å; D9-S11 WeakPolarHBondContact OD1-CB 3.38Å; D9-S11 PolarHBondContact OD1-N 2.86Å; D9-S11 PolarHBondContact OD1-OG 3.22Å; D9-S11 PolarHBondContact OD2-OG 3.02Å; S11-Q13 PolarHBondContact O-N 3.41Å
12	Q	77.3	Confident	84.4	Confident	106 Å²	106	77.8 Å²	77.8	50%	0.495	43%	0.426	S	S	.	.			trans	-78.2	108	179.7	-59.1	-55.1	-30.3	0	0	110.7	V5 E6 D9	V5-Q12 WeakPolarHBondContact CA-O 3.46Å; E6-Q12 HydrophobicContact CB-CB 3.94Å; E6-Q12 PolarHBondContact N-O 2.87Å; D9-Q12 HydrophobicContact CB-CG 4.26Å; D9-Q12 PolarHBondContact O-N 3.32Å
13	Q	85.8	Confident	84.6	Confident	99 Å²	99	79.1 Å²	79.1	46%	0.463	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.2	178.5	67.4	-171.7	-57.7	0	0	112.4	V4 V5 S11	V4-Q13 CarbonylContact O-C 3.57Å; V4-Q13 VanDerWaalsContact O-CA 3.32Å; V4-Q13 WeakPolarHBondContact O-CA 3.29Å; V5-Q13 HydrophobicContact CG2-CB 4.08Å; S11-Q13 PolarHBondContact O-N 3.41Å
14	K	85.9	Confident	84.5	Confident	77 Å²	77	74.9 Å²	74.9	34%	0.335	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.6	168.7	-60.6	-169.4	-174.9	-171.7	0	109.4	K3 V4 I49 Q52	K3-K14 WeakPolarHBondContact CA-O 3.47Å; V4-K14 HydrophobicContact CB-CB 4.47Å; V4-K14 PolarHBondContact N-O 2.89Å; V4-K14 PolarHBondContact O-N 3.19Å; K14-I49 HydrophobicContact CD-CG2 4.48Å; K14-I49 WeakPolarHBondContact CD-O 3.32Å; K14-I49 PolarHBondContact NZ-O 3.21Å; K14-Q52 HydrophobicContact CB-CG 4.12Å; K14-Q52 HydrophobicContact CD-CG 4.25Å
15	T	88.2	Confident	84.7	Confident	33 Å²	33	74.4 Å²	74.4	20%	0.202	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	101.5	-170.4	-59.2	0	0	0	0	112	M1 K3 R17	M1-T15 HydrophobicContact CE-CG2 4.41Å; M1-T15 HydrophobicContact CG-CG2 3.84Å; M1-T15 HydrophobicContact SD-CG2 3.65Å; K3-T15 HydrophobicContact CG-CG2 4.36Å; T15-R17 HydrophobicContact CG2-CG 4.14Å
16	L	89.1	Confident	84.8	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.01	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.2	179.7	-56.4	171.6	0	0	0	110.3	M1 V2 V4 L35 W47 Q52	M1-L16 WeakPolarHBondContact CA-O 3.37Å; V2-L16 HydrophobicContact CB-CB 4.27Å; V2-L16 PolarHBondContact N-O 2.67Å; V2-L16 PolarHBondContact O-N 2.95Å; V4-L16 HydrophobicContact CG2-CD1 4.29Å; L16-L35 HydrophobicContact CD1-CB 4.4Å; L16-L35 HydrophobicContact CD1-CD2 3.6Å; L16-W47 HydrophobicContact CB-CD2 4.1Å; L16-W47 HydrophobicContact CB-CE3 4.05Å; L16-W47 HydrophobicContact CB-CZ3 4.46Å; L16-W47 HydrophobicContact CD1-CB 3.8Å; L16-W47 HydrophobicContact CD1-CD2 4.26Å; L16-W47 HydrophobicContact CD1-CG 3.8Å; L16-W47 HydrophobicContact CD2-CB 4.09Å; L16-W47 HydrophobicContact CD2-CD2 4.46Å; L16-W47 HydrophobicContact CD2-CE3 4.23Å; L16-W47 HydrophobicContact CD2-CG 4.43Å; L16-W47 HydrophobicContact CG-CB 4.49Å; L16-W47 HydrophobicContact CG-CG 4.47Å; L16-Q52 HydrophobicContact CD2-CB 3.96Å; L16-Q52 HydrophobicContact CD2-CG 4.35Å
17	R	84.8	Confident	85.3	Confident	183 Å²	183	70.7 Å²	70.7	69%	0.691	40%	0.399	S	S	*	.			trans	-121.7	135	-177.7	-61.7	-171.8	-179.8	-144.7	3	110.6	T15 W47	T15-R17 HydrophobicContact CG2-CG 4.14Å; R17-W47 WeakPolarHBondContact O-CZ3 3.37Å
18	G	80.4	Confident	85.7	Confident	44 Å²	44	68 Å²	68	45%	0.454	38%	0.375	S	S	.	.			trans	151.8	-17.5	175	0	0	0	0	0	115.1
19	H	87.3	Confident	85.9	Confident	19 Å²	19	63.2 Å²	63.2	9%	0.088	34%	0.341	C	S	.	.			trans	-68.2	133.7	163	-84.5	-55.5	0	0	0	110.9	V23 S37 S39 D41 S43 V45 W47	H19-V23 HydrophobicContact CB-CG2 4.33Å; H19-S37 PolarHBondContact CD2-OG 3.33Å; H19-S37 PolarHBondContact NE2-OG 3.06Å; H19-S39 WeakPolarHBondContact CE1-CB 3.34Å; H19-S39 WeakPolarHBondContact ND1-CB 3.41Å; H19-D41 VanDerWaalsContact CA-OD2 3.23Å; H19-D41 WeakPolarHBondContact CA-OD2 3.43Å; H19-D41 WeakPolarHBondContact CB-OD2 3.37Å; H19-D41 IonicContact CE1-OD2 3.62Å; H19-D41 IonicContact CG-OD2 3.15Å; H19-D41 IonicContact ND1-OD1 2.76Å; H19-D41 IonicContact ND1-OD2 2.69Å; H19-D41 PolarHBondContact ND1-OD2 3Å; H19-S43 PolarHBondContact CE1-OG 3.18Å; H19-S43 VanDerWaalsContact CE1-OG 3.23Å; H19-S43 PolarHBondContact ND1-OG 3.38Å; H19-V45 VanDerWaalsContact CE1-CG2 3.47Å; H19-V45 WeakPolarHBondContact CE1-CG2 3.38Å; H19-W47 AromaticContact CD2-CZ2 3.83Å
20	E	85.1	Confident	86.4	Confident	167 Å²	167	62.9 Å²	62.9	78%	0.78	34%	0.343	S	S	*	.	S	Bend	trans	-91.7	-15.6	-174.4	-61.8	-177.5	150.7	0	0	112.9	D41	E20-D41 HydrophobicContact CB-CB 4.02Å; E20-D41 PolarHBondContact N-OD2 3.02Å
21	A	86.7	Confident	86.8	Confident	27 Å²	27	63.4 Å²	63.4	22%	0.223	33%	0.332	C	S	.	.	S	Bend	trans	-134.2	-176.6	-177.4	0	0	0	0	0	111.5	S39 C40 D41	A21-S39 PolarHBondContact O-OG 2.98Å; A21-C40 HydrophobicContact CB-CB 4Å; A21-D41 HydrophobicContact CB-CB 3.76Å
22	P	88.6	Confident	87.4	Confident	58 Å²	58	65.2 Å²	65.2	38%	0.377	34%	0.336	S	S	.	.			trans	-56.8	147	174.1	-26.6	36.8	0	0	0	113.1	S39 C40 V67	P22-S39 WeakPolarHBondContact O-CA 3.46Å; P22-S39 WeakPolarHBondContact O-CB 3.37Å; P22-S39 PolarHBondContact O-OG 2.92Å; P22-C40 PolarHBondContact O-N 3.49Å; P22-V67 HydrophobicContact CB-CG2 3.66Å; P22-V67 HydrophobicContact CG-CG2 4.35Å
23	V	90.5	Very high	87.9	Confident	44 Å²	44	64.1 Å²	64.1	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.4	178.7	-180	0	0	0	0	108.5	V2 H19 S25 V26 S38	V2-V23 HydrophobicContact CG2-CG1 4.21Å; V2-V23 HydrophobicContact CG2-CG2 3.99Å; H19-V23 HydrophobicContact CB-CG2 4.33Å; V23-S25 WeakPolarHBondContact CG1-O 3.49Å; V23-V26 HydrophobicContact CG1-CG1 3.83Å; V23-S38 CarbonylContact C-O 3.5Å; V23-S38 WeakPolarHBondContact CA-O 3.32Å; V23-S38 WeakPolarHBondContact CG1-O 3.48Å
24	L	88.6	Confident	88.2	Confident	26 Å²	26	61.6 Å²	61.6	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-40.9	-175.9	-67.2	171.6	0	0	0	112.1	S38 L61 V67 A70	L24-S38 PolarHBondContact N-O 3.41Å; L24-L61 HydrophobicContact CD1-CD1 4.41Å; L24-V67 HydrophobicContact CD2-CB 4.35Å; L24-V67 HydrophobicContact CD2-CG1 3.87Å; L24-V67 HydrophobicContact CD2-CG2 4.17Å; L24-A70 HydrophobicContact CD1-CB 4.39Å; L24-A70 HydrophobicContact CD2-CB 4.19Å
25	S	90.3	Very high	88.5	Confident	13 Å²	13	58 Å²	58	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.2	177.8	-164.1	0	0	0	0	111.7	V23 S37 S38 C74 R75 L76	V23-S25 WeakPolarHBondContact CG1-O 3.49Å; S25-S37 CarbonylContact O-C 3.59Å; S25-S37 WeakPolarHBondContact O-CA 3.43Å; S25-S37 WeakPolarHBondContact O-CB 3.38Å; S25-S38 VanDerWaalsContact CB-OG 3.28Å; S25-S38 WeakPolarHBondContact CB-OG 3.47Å; S25-S38 PolarHBondContact N-O 2.88Å; S25-S38 PolarHBondContact N-OG 3.35Å; S25-S38 PolarHBondContact O-N 2.69Å; S25-C74 WeakPolarHBondContact CB-O 3.47Å; S25-R75 WeakPolarHBondContact OG-CA 3.43Å; S25-R75 WeakPolarHBondContact OG-CD 3.41Å; S25-L76 PolarHBondContact OG-N 3.4Å
26	V	93.2	Very high	88.7	Confident	70 Å²	70	56.4 Å²	56.4	42%	0.424	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147	167.4	-62.7	0	0	0	0	109.1	V2 V23 A36	V2-V26 HydrophobicContact CG1-CG1 3.99Å; V2-V26 HydrophobicContact CG2-CG1 4.11Å; V23-V26 HydrophobicContact CG1-CG1 3.83Å; V26-A36 CarbonylContact C-O 3.58Å; V26-A36 WeakPolarHBondContact CA-O 3.46Å
27	T	92	Very high	88.9	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.141	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	135.1	174.6	-173.5	0	0	0	0	109.8	L35 A36 L76 F78 L86	T27-L35 WeakPolarHBondContact O-CD1 2.94Å; T27-A36 HydrophobicContact CG2-CB 3.87Å; T27-A36 PolarHBondContact N-O 2.95Å; T27-A36 PolarHBondContact O-N 3.34Å; T27-L76 HydrophobicContact CG2-CB 3.54Å; T27-L76 HydrophobicContact CG2-CD1 4.48Å; T27-F78 HydrophobicContact CG2-CD2 3.73Å; T27-F78 HydrophobicContact CG2-CE2 4.02Å; T27-L86 HydrophobicContact CG2-CD1 4.08Å
28	F	91.4	Very high	89.3	Confident	96 Å²	96	47.6 Å²	47.6	42%	0.421	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.4	178.2	-76	-94.8	0	0	0	110.6	V4 L35 I49 F78	V4-F28 HydrophobicContact CG1-CE1 4.02Å; V4-F28 HydrophobicContact CG1-CZ 4.12Å; V4-F28 HydrophobicContact CG2-CE1 4.21Å; V4-F28 HydrophobicContact CG2-CZ 4.17Å; F28-L35 HydrophobicContact CB-CD1 4.44Å; F28-L35 HydrophobicContact CD1-CD1 3.69Å; F28-L35 HydrophobicContact CD2-CD1 3.69Å; F28-L35 HydrophobicContact CE1-CD1 3.75Å; F28-L35 HydrophobicContact CE2-CD1 3.75Å; F28-L35 HydrophobicContact CG-CD1 3.66Å; F28-L35 HydrophobicContact CZ-CD1 3.77Å; F28-I49 HydrophobicContact CD1-CD1 3.78Å; F28-I49 HydrophobicContact CE1-CD1 3.91Å; F28-F78 VanDerWaalsContact C-CD2 3.42Å; F28-F78 VanDerWaalsContact O-CD2 3.28Å; F28-F78 WeakPolarHBondContact O-CD2 3.44Å
29	D	89.6	Confident	89.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.			trans	-68.6	138.3	163.9	173.5	82.3	0	0	0	110.2	K31 D32 Y34 F78 R99	D29-K31 PolarHBondContact O-N 2.95Å; D29-K31 PolarHBondContact OD2-N 2.86Å; D29-D32 PolarHBondContact O-N 2.58Å; D29-Y34 VanDerWaalsContact CB-O 3.28Å; D29-Y34 WeakPolarHBondContact CB-O 3.28Å; D29-Y34 PolarHBondContact N-O 2.86Å; D29-F78 HydrophobicContact CB-CD1 4.36Å; D29-F78 HydrophobicContact CB-CD2 4.26Å; D29-F78 HydrophobicContact CB-CE1 4.21Å; D29-F78 HydrophobicContact CB-CE2 4.1Å; D29-F78 HydrophobicContact CB-CG 4.38Å; D29-F78 HydrophobicContact CB-CZ 4.08Å; D29-R99 VanDerWaalsContact CG-CZ 3.46Å; D29-R99 WeakPolarHBondContact OD1-CD 3.28Å; D29-R99 IonicContact OD1-CZ 3.78Å; D29-R99 VanDerWaalsContact OD1-CZ 3.27Å; D29-R99 IonicContact OD1-NE 2.66Å; D29-R99 IonicContact OD1-NH1 3.61Å; D29-R99 PolarHBondContact OD1-NH1 3.14Å; D29-R99 IonicContact OD2-CZ 3.58Å; D29-R99 IonicContact OD2-NH1 2.65Å; D29-R99 PolarHBondContact OD2-NH1 3.49Å; D29-R99 IonicContact OD2-NH2 3.55Å; D29-R99 PolarHBondContact OD2-NH2 2.99Å
30	P	87.4	Confident	89.8	Confident	57 Å²	57	44.7 Å²	44.7	37%	0.37	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	14.8	-176.8	30.4	-39	0	0	0	115.9	G83	P30-G83 VanDerWaalsContact CG-CA 3.44Å
31	K	85.9	Confident	89.8	Confident	116 Å²	116	37.2 Å²	37.2	50%	0.504	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	12.4	164.3	-45.8	-173.9	-149.5	154.9	0	113	D29 E33 R99	D29-K31 PolarHBondContact O-N 2.95Å; D29-K31 PolarHBondContact OD2-N 2.86Å; K31-E33 PolarHBondContact O-N 3.05Å; K31-R99 VanDerWaalsContact CE-NH1 3.27Å
32	D	86.4	Confident	89.7	Confident	110 Å²	110	36 Å²	36	59%	0.588	19%	0.19	S	C	*	.	S	Bend	trans	58.3	10.9	175.4	-57.6	-55.2	0	0	0	116.9	D29 I49	D29-D32 PolarHBondContact O-N 2.58Å; D32-I49 WeakPolarHBondContact O-CD1 3.49Å
33	E	89.2	Confident	89.8	Confident	82 Å²	82	34 Å²	34	38%	0.383	18%	0.176	S	C	.	.	S	Bend	trans	-71	-40.3	172	-71.7	167.1	-141.3	0	0	112	K31 N48 I49 R99	K31-E33 PolarHBondContact O-N 3.05Å; E33-N48 PolarHBondContact O-OD1 2.88Å; E33-I49 PolarHBondContact O-N 3.18Å; E33-R99 IonicContact OE1-NH2 2.69Å; E33-R99 PolarHBondContact OE1-NH2 3.32Å; E33-R99 IonicContact OE2-CZ 2.85Å; E33-R99 IonicContact OE2-NE 3.55Å; E33-R99 IonicContact OE2-NH2 3.56Å; E33-R99 PolarHBondContact OE2-NH2 3.37Å
34	Y	91.9	Very high	89.9	Confident	46 Å²	46	31.9 Å²	31.9	18%	0.18	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146	-169	-59	-73.9	0	0	0	113.5	D29 V46 W47 I49 V55 W102	D29-Y34 VanDerWaalsContact CB-O 3.28Å; D29-Y34 WeakPolarHBondContact CB-O 3.28Å; D29-Y34 PolarHBondContact N-O 2.86Å; Y34-V46 HydrophobicContact CD1-CG1 4.15Å; Y34-V46 HydrophobicContact CG-CG1 4.41Å; Y34-W47 VanDerWaalsContact CA-O 3.31Å; Y34-W47 WeakPolarHBondContact CA-O 3.33Å; Y34-I49 VanDerWaalsContact C-CD1 3.46Å; Y34-V55 HydrophobicContact CD1-CG2 4.3Å; Y34-V55 HydrophobicContact CE1-CG2 4.07Å; Y34-W102 HydrophobicContact CD1-CZ2 4.08Å; Y34-W102 HydrophobicContact CD2-CH2 4.43Å; Y34-W102 AromaticContact CD2-CZ2 3.99Å; Y34-W102 HydrophobicContact CD2-CZ2 3.99Å; Y34-W102 HydrophobicContact CE1-CZ2 4.29Å; Y34-W102 HydrophobicContact CE2-CZ2 4.22Å; Y34-W102 HydrophobicContact CG-CH2 4.36Å; Y34-W102 AromaticContact CG-CZ2 3.93Å; Y34-W102 HydrophobicContact CG-CZ2 3.93Å
35	L	92.6	Very high	90.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.4	167.9	-169	76.8	0	0	0	109.1	V2 V4 L16 T27 F28 V46 W47 I49	V2-L35 HydrophobicContact CG1-CD2 3.73Å; V4-L35 HydrophobicContact CG2-CD2 4.26Å; L16-L35 HydrophobicContact CD1-CB 4.4Å; L16-L35 HydrophobicContact CD1-CD2 3.6Å; T27-L35 WeakPolarHBondContact O-CD1 2.94Å; F28-L35 HydrophobicContact CB-CD1 4.44Å; F28-L35 HydrophobicContact CD1-CD1 3.69Å; F28-L35 HydrophobicContact CD2-CD1 3.69Å; F28-L35 HydrophobicContact CE1-CD1 3.75Å; F28-L35 HydrophobicContact CE2-CD1 3.75Å; F28-L35 HydrophobicContact CG-CD1 3.66Å; F28-L35 HydrophobicContact CZ-CD1 3.77Å; L35-V46 CarbonylContact O-C 3.45Å; L35-V46 WeakPolarHBondContact O-CA 3.45Å; L35-W47 HydrophobicContact CB-CB 4.45Å; L35-W47 PolarHBondContact N-O 3.1Å; L35-W47 PolarHBondContact O-N 3.28Å; L35-I49 HydrophobicContact CB-CD1 4.02Å; L35-I49 HydrophobicContact CB-CG1 3.97Å
36	A	92.6	Very high	90.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.5	168.5	0	0	0	0	0	110.6	V26 T27 V45 V46 L76 F78 L86	V26-A36 CarbonylContact C-O 3.58Å; V26-A36 WeakPolarHBondContact CA-O 3.46Å; T27-A36 HydrophobicContact CG2-CB 3.87Å; T27-A36 PolarHBondContact N-O 2.95Å; T27-A36 PolarHBondContact O-N 3.34Å; A36-V45 CarbonylContact C-O 3.33Å; A36-V45 WeakPolarHBondContact CA-O 3.43Å; A36-V46 HydrophobicContact CB-CG2 4.31Å; A36-L76 HydrophobicContact CB-CD1 4.03Å; A36-F78 HydrophobicContact CB-CE2 3.66Å; A36-F78 HydrophobicContact CB-CZ 4.01Å; A36-L86 HydrophobicContact CB-CD1 3.97Å; A36-L86 HydrophobicContact CB-CD2 3.72Å
37	S	93	Very high	90.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.6	178.8	60.6	0	0	0	0	113.2	H19 S25 V44 V45 W47	H19-S37 PolarHBondContact CD2-OG 3.33Å; H19-S37 PolarHBondContact NE2-OG 3.06Å; S25-S37 CarbonylContact O-C 3.59Å; S25-S37 WeakPolarHBondContact O-CA 3.43Å; S25-S37 WeakPolarHBondContact O-CB 3.38Å; S37-V44 CarbonylContact O-C 3.55Å; S37-V44 WeakPolarHBondContact O-CA 3.38Å; S37-V45 PolarHBondContact N-O 3.3Å; S37-V45 PolarHBondContact O-N 3.15Å; S37-W47 PolarHBondContact OG-NE1 3.36Å
38	S	92	Very high	90.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.5	175	55.5	0	0	0	0	110.4	V23 L24 S25 C74	V23-S38 CarbonylContact C-O 3.5Å; V23-S38 WeakPolarHBondContact CA-O 3.32Å; V23-S38 WeakPolarHBondContact CG1-O 3.48Å; L24-S38 PolarHBondContact N-O 3.41Å; S25-S38 VanDerWaalsContact CB-OG 3.28Å; S25-S38 WeakPolarHBondContact CB-OG 3.47Å; S25-S38 PolarHBondContact N-O 2.88Å; S25-S38 PolarHBondContact N-OG 3.35Å; S25-S38 PolarHBondContact O-N 2.69Å; S38-C74 PolarHBondContact OG-O 2.99Å
39	S	90.4	Very high	90	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.3	-176.2	176.5	0	0	0	0	113.3	H19 A21 P22 D41 G42 S43	H19-S39 WeakPolarHBondContact CE1-CB 3.34Å; H19-S39 WeakPolarHBondContact ND1-CB 3.41Å; A21-S39 PolarHBondContact O-OG 2.98Å; P22-S39 WeakPolarHBondContact O-CA 3.46Å; P22-S39 WeakPolarHBondContact O-CB 3.37Å; P22-S39 PolarHBondContact O-OG 2.92Å; S39-D41 WeakPolarHBondContact CB-OD1 3.42Å; S39-D41 PolarHBondContact O-N 3.42Å; S39-D41 VanDerWaalsContact O-N 3.14Å; S39-D41 VanDerWaalsContact OG-CG 3.31Å; S39-D41 PolarHBondContact OG-N 3.44Å; S39-D41 PolarHBondContact OG-OD2 3.27Å; S39-G42 PolarHBondContact O-N 3.03Å; S39-S43 PolarHBondContact N-O 3.49Å
40	C	88.3	Confident	89.9	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-15	170	-49.5	0	0	0	0	113.2	A21 P22 G42 K63 T64	A21-C40 HydrophobicContact CB-CB 4Å; P22-C40 PolarHBondContact O-N 3.49Å; C40-G42 PolarHBondContact O-N 3.13Å; C40-K63 CarbonylContact O-C 3.45Å; C40-K63 WeakPolarHBondContact O-CA 3.42Å; C40-T64 VanDerWaalsContact CB-O 3.24Å; C40-T64 WeakPolarHBondContact CB-O 3.42Å; C40-T64 PolarHBondContact O-N 2.98Å; C40-T64 VanDerWaalsContact O-O 3.1Å
41	D	86.1	Confident	89.7	Confident	11 Å²	11	32.7 Å²	32.7	6%	0.059	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	2	173.8	66.3	23.9	0	0	0	113.5	H19 E20 A21 S39 S43 K63	H19-D41 VanDerWaalsContact CA-OD2 3.23Å; H19-D41 WeakPolarHBondContact CA-OD2 3.43Å; H19-D41 WeakPolarHBondContact CB-OD2 3.37Å; H19-D41 IonicContact CE1-OD2 3.62Å; H19-D41 IonicContact CG-OD2 3.15Å; H19-D41 IonicContact ND1-OD1 2.76Å; H19-D41 IonicContact ND1-OD2 2.69Å; H19-D41 PolarHBondContact ND1-OD2 3Å; E20-D41 HydrophobicContact CB-CB 4.02Å; E20-D41 PolarHBondContact N-OD2 3.02Å; A21-D41 HydrophobicContact CB-CB 3.76Å; S39-D41 WeakPolarHBondContact CB-OD1 3.42Å; S39-D41 PolarHBondContact O-N 3.42Å; S39-D41 VanDerWaalsContact O-N 3.14Å; S39-D41 VanDerWaalsContact OG-CG 3.31Å; S39-D41 PolarHBondContact OG-N 3.44Å; S39-D41 PolarHBondContact OG-OD2 3.27Å; D41-S43 VanDerWaalsContact C-N 3.31Å; D41-S43 WeakPolarHBondContact OD1-CA 3.23Å; D41-S43 VanDerWaalsContact OD1-CB 3.28Å; D41-S43 WeakPolarHBondContact OD1-CB 3.47Å; D41-S43 PolarHBondContact OD1-N 3Å; D41-S43 PolarHBondContact OD1-OG 2.94Å; D41-K63 WeakPolarHBondContact O-CE 3.25Å; D41-K63 WeakPolarHBondContact O-CG 3.46Å; D41-K63 PolarHBondContact O-NZ 3.22Å
42	G	84.7	Confident	89.7	Confident	2 Å²	2	31.2 Å²	31.2	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	87.3	-5	179.1	0	0	0	0	0	113.9	S39 C40 P59 L60 L61	S39-G42 PolarHBondContact O-N 3.03Å; C40-G42 PolarHBondContact O-N 3.13Å; G42-P59 CarbonylContact O-C 3.55Å; G42-P59 WeakPolarHBondContact O-CA 3.34Å; G42-L60 PolarHBondContact O-N 3.48Å; G42-L60 VanDerWaalsContact O-N 3.12Å; G42-L61 WeakPolarHBondContact CA-O 3.44Å; G42-L61 PolarHBondContact O-N 3.33Å
43	S	90.2	Very high	89.7	Confident	14 Å²	14	29.2 Å²	29.2	10%	0.098	15%	0.147	C	C	.	.			trans	-99.8	145	-175.6	73.6	0	0	0	0	113.9	H19 S39 D41 V45 W58	H19-S43 PolarHBondContact CE1-OG 3.18Å; H19-S43 VanDerWaalsContact CE1-OG 3.23Å; H19-S43 PolarHBondContact ND1-OG 3.38Å; S39-S43 PolarHBondContact N-O 3.49Å; D41-S43 VanDerWaalsContact C-N 3.31Å; D41-S43 WeakPolarHBondContact OD1-CA 3.23Å; D41-S43 VanDerWaalsContact OD1-CB 3.28Å; D41-S43 WeakPolarHBondContact OD1-CB 3.47Å; D41-S43 PolarHBondContact OD1-N 3Å; D41-S43 PolarHBondContact OD1-OG 2.94Å; S43-V45 WeakPolarHBondContact OG-CG2 3.39Å; S43-W58 WeakPolarHBondContact CA-O 3.48Å
44	V	92	Very high	89.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.3	156.3	178.1	0	0	0	0	106.7	S37 S57 W58 L60 L61 L76 V88	S37-V44 CarbonylContact O-C 3.55Å; S37-V44 WeakPolarHBondContact O-CA 3.38Å; V44-S57 CarbonylContact O-C 3.41Å; V44-S57 WeakPolarHBondContact O-CA 3.41Å; V44-W58 HydrophobicContact CB-CE3 4.11Å; V44-W58 HydrophobicContact CG1-CE3 3.94Å; V44-W58 HydrophobicContact CG1-CZ3 4.04Å; V44-W58 PolarHBondContact N-O 2.87Å; V44-W58 PolarHBondContact O-N 3.23Å; V44-L60 HydrophobicContact CB-CD1 4.29Å; V44-L60 HydrophobicContact CG2-CB 4.45Å; V44-L60 HydrophobicContact CG2-CD1 4.26Å; V44-L61 HydrophobicContact CG2-CD1 4.27Å; V44-L61 HydrophobicContact CG2-CG 4.45Å; V44-L76 HydrophobicContact CG1-CD1 3.87Å; V44-L76 HydrophobicContact CG1-CD2 4.31Å; V44-L76 HydrophobicContact CG2-CD2 4.5Å; V44-V88 HydrophobicContact CG1-CG1 4.35Å; V44-V88 HydrophobicContact CG1-CG2 4.49Å; V44-V88 HydrophobicContact CG2-CG1 4Å
45	V	92.8	Very high	89.4	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.03	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.3	-174.2	-175.6	0	0	0	0	109.9	H19 A36 S37 S43 W47 R54 T56	H19-V45 VanDerWaalsContact CE1-CG2 3.47Å; H19-V45 WeakPolarHBondContact CE1-CG2 3.38Å; A36-V45 CarbonylContact C-O 3.33Å; A36-V45 WeakPolarHBondContact CA-O 3.43Å; S37-V45 PolarHBondContact N-O 3.3Å; S37-V45 PolarHBondContact O-N 3.15Å; S43-V45 WeakPolarHBondContact OG-CG2 3.39Å; V45-W47 HydrophobicContact CB-CZ2 3.96Å; V45-W47 HydrophobicContact CG1-CD2 3.94Å; V45-W47 VanDerWaalsContact CG1-CE2 3.44Å; V45-W47 HydrophobicContact CG1-CE3 4.47Å; V45-W47 HydrophobicContact CG1-CG 4.43Å; V45-W47 HydrophobicContact CG1-CH2 4.09Å; V45-W47 HydrophobicContact CG1-CZ2 3.53Å; V45-W47 HydrophobicContact CG2-CZ2 4.43Å; V45-R54 HydrophobicContact CG1-CB 4.01Å; V45-T56 WeakPolarHBondContact CA-O 3.24Å; V45-T56 WeakPolarHBondContact CG1-O 3.27Å
46	V	92.8	Very high	89.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.9	167.7	-176	0	0	0	0	109.1	Y34 L35 A36 V55 T56 W58 L86 W102	Y34-V46 HydrophobicContact CD1-CG1 4.15Å; Y34-V46 HydrophobicContact CG-CG1 4.41Å; L35-V46 CarbonylContact O-C 3.45Å; L35-V46 WeakPolarHBondContact O-CA 3.45Å; A36-V46 HydrophobicContact CB-CG2 4.31Å; V46-V55 PolarHBondContact O-N 3.44Å; V46-T56 PolarHBondContact N-O 2.95Å; V46-T56 PolarHBondContact O-N 2.94Å; V46-W58 HydrophobicContact CG2-CH2 3.74Å; V46-W58 HydrophobicContact CG2-CZ3 3.71Å; V46-L86 HydrophobicContact CG2-CD2 4.15Å; V46-W102 HydrophobicContact CG1-CH2 3.77Å; V46-W102 HydrophobicContact CG1-CZ2 3.72Å; V46-W102 HydrophobicContact CG1-CZ3 4.23Å; V46-W102 HydrophobicContact CG2-CE3 4.09Å; V46-W102 HydrophobicContact CG2-CH2 4.43Å; V46-W102 HydrophobicContact CG2-CZ3 4.04Å
47	W	92.9	Very high	89	Confident	4 Å²	4	39 Å²	39	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.6	-177.7	-49.5	87	0	0	0	110.5	L16 R17 H19 Y34 L35 S37 V45 T53 R54	L16-W47 HydrophobicContact CB-CD2 4.1Å; L16-W47 HydrophobicContact CB-CE3 4.05Å; L16-W47 HydrophobicContact CB-CZ3 4.46Å; L16-W47 HydrophobicContact CD1-CB 3.8Å; L16-W47 HydrophobicContact CD1-CD2 4.26Å; L16-W47 HydrophobicContact CD1-CG 3.8Å; L16-W47 HydrophobicContact CD2-CB 4.09Å; L16-W47 HydrophobicContact CD2-CD2 4.46Å; L16-W47 HydrophobicContact CD2-CE3 4.23Å; L16-W47 HydrophobicContact CD2-CG 4.43Å; L16-W47 HydrophobicContact CG-CB 4.49Å; L16-W47 HydrophobicContact CG-CG 4.47Å; R17-W47 WeakPolarHBondContact O-CZ3 3.37Å; H19-W47 AromaticContact CD2-CZ2 3.83Å; Y34-W47 VanDerWaalsContact CA-O 3.31Å; Y34-W47 WeakPolarHBondContact CA-O 3.33Å; L35-W47 HydrophobicContact CB-CB 4.45Å; L35-W47 PolarHBondContact N-O 3.1Å; L35-W47 PolarHBondContact O-N 3.28Å; S37-W47 PolarHBondContact OG-NE1 3.36Å; V45-W47 HydrophobicContact CB-CZ2 3.96Å; V45-W47 HydrophobicContact CG1-CD2 3.94Å; V45-W47 VanDerWaalsContact CG1-CE2 3.44Å; V45-W47 HydrophobicContact CG1-CE3 4.47Å; V45-W47 HydrophobicContact CG1-CG 4.43Å; V45-W47 HydrophobicContact CG1-CH2 4.09Å; V45-W47 HydrophobicContact CG1-CZ2 3.53Å; V45-W47 HydrophobicContact CG2-CZ2 4.43Å; W47-T53 CarbonylContact C-O 3.47Å; W47-T53 VanDerWaalsContact CA-O 3.26Å; W47-T53 WeakPolarHBondContact CA-O 3.44Å; W47-R54 HydrophobicContact CE3-CB 3.95Å; W47-R54 HydrophobicContact CH2-CB 4.45Å; W47-R54 HydrophobicContact CZ3-CB 3.85Å
48	N	90.7	Very high	88.8	Confident	24 Å²	24	40.7 Å²	40.7	13%	0.128	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.5	162.1	-175.2	-6.8	0	0	0	108.1	E33 E50 D51 Q52 T53 V55	E33-N48 PolarHBondContact O-OD1 2.88Å; N48-E50 VanDerWaalsContact C-N 3.31Å; N48-E50 PolarHBondContact OD1-N 3.33Å; N48-D51 HydrophobicContact CB-CB 4.22Å; N48-D51 PolarHBondContact ND2-OD2 3.29Å; N48-Q52 WeakPolarHBondContact O-CA 3.4Å; N48-Q52 PolarHBondContact O-N 2.95Å; N48-Q52 VanDerWaalsContact O-N 3.12Å; N48-T53 PolarHBondContact N-O 3.29Å; N48-V55 HydrophobicContact CB-CG2 3.88Å
49	I	88.8	Confident	88.5	Confident	18 Å²	18	46.4 Å²	46.4	9%	0.092	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.2	179.3	-65.2	168.5	0	0	0	111	V4 K14 F28 D32 E33 Y34 L35	V4-I49 HydrophobicContact CG1-CG2 4.42Å; K14-I49 HydrophobicContact CD-CG2 4.48Å; K14-I49 WeakPolarHBondContact CD-O 3.32Å; K14-I49 PolarHBondContact NZ-O 3.21Å; F28-I49 HydrophobicContact CD1-CD1 3.78Å; F28-I49 HydrophobicContact CE1-CD1 3.91Å; D32-I49 WeakPolarHBondContact O-CD1 3.49Å; E33-I49 PolarHBondContact O-N 3.18Å; Y34-I49 VanDerWaalsContact C-CD1 3.46Å; L35-I49 HydrophobicContact CB-CD1 4.02Å; L35-I49 HydrophobicContact CB-CG1 3.97Å
50	E	86.6	Confident	88.2	Confident	149 Å²	149	48.4 Å²	48.4	70%	0.696	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-65.8	175.2	-168.6	163.8	-159.2	0	0	111.7	N48 Q52	N48-E50 VanDerWaalsContact C-N 3.31Å; N48-E50 PolarHBondContact OD1-N 3.33Å; E50-Q52 PolarHBondContact O-N 3.47Å
51	D	84	Confident	87.9	Confident	103 Å²	103	49.8 Å²	49.8	55%	0.551	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-17.8	-177.4	-61.7	-32.2	0	0	0	114.4	N48 T53	N48-D51 HydrophobicContact CB-CB 4.22Å; N48-D51 PolarHBondContact ND2-OD2 3.29Å; D51-T53 HydrophobicContact CB-CG2 3.82Å; D51-T53 WeakPolarHBondContact CB-OG1 3.48Å; D51-T53 PolarHBondContact O-N 2.92Å
52	Q	85.4	Confident	87.7	Confident	85 Å²	85	56.6 Å²	56.6	40%	0.397	29%	0.292	S	S	.	.			trans	60.7	19.2	-169.2	-56.8	178.2	66.2	0	0	114.3	K14 L16 N48 E50	K14-Q52 HydrophobicContact CB-CG 4.12Å; K14-Q52 HydrophobicContact CD-CG 4.25Å; L16-Q52 HydrophobicContact CD2-CB 3.96Å; L16-Q52 HydrophobicContact CD2-CG 4.35Å; N48-Q52 WeakPolarHBondContact O-CA 3.4Å; N48-Q52 PolarHBondContact O-N 2.95Å; N48-Q52 VanDerWaalsContact O-N 3.12Å; E50-Q52 PolarHBondContact O-N 3.47Å
53	T	86.3	Confident	87.6	Confident	67 Å²	67	63.2 Å²	63.2	41%	0.411	32%	0.32	S	S	.	.			trans	-91.8	156.7	-179.2	55.5	0	0	0	0	112.6	W47 N48 D51	W47-T53 CarbonylContact C-O 3.47Å; W47-T53 VanDerWaalsContact CA-O 3.26Å; W47-T53 WeakPolarHBondContact CA-O 3.44Å; N48-T53 PolarHBondContact N-O 3.29Å; D51-T53 HydrophobicContact CB-CG2 3.82Å; D51-T53 WeakPolarHBondContact CB-OG1 3.48Å; D51-T53 PolarHBondContact O-N 2.92Å
54	R	87.9	Confident	87.1	Confident	177 Å²	177	63.6 Å²	63.6	67%	0.668	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.8	165	67.1	-174.4	-176.4	-179.5	0.3	109.3	V45 W47	V45-R54 HydrophobicContact CG1-CB 4.01Å; W47-R54 HydrophobicContact CE3-CB 3.95Å; W47-R54 HydrophobicContact CH2-CB 4.45Å; W47-R54 HydrophobicContact CZ3-CB 3.85Å
55	V	87.6	Confident	86.2	Confident	59 Å²	59	70.5 Å²	70.5	36%	0.358	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-44.4	-179.5	179.2	0	0	0	0	110.3	Y34 V46 N48	Y34-V55 HydrophobicContact CD1-CG2 4.3Å; Y34-V55 HydrophobicContact CE1-CG2 4.07Å; V46-V55 PolarHBondContact O-N 3.44Å; N48-V55 HydrophobicContact CB-CG2 3.88Å
56	T	87.1	Confident	85.4	Confident	39 Å²	39	74.3 Å²	74.3	24%	0.239	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150.2	179.9	-58.5	0	0	0	0	109.7	V45 V46 W58 W102	V45-T56 WeakPolarHBondContact CA-O 3.24Å; V45-T56 WeakPolarHBondContact CG1-O 3.27Å; V46-T56 PolarHBondContact N-O 2.95Å; V46-T56 PolarHBondContact O-N 2.94Å; T56-W58 HydrophobicContact CG2-CD2 4.14Å; T56-W58 HydrophobicContact CG2-CH2 4.41Å; T56-W58 HydrophobicContact CG2-CZ2 3.72Å; T56-W102 HydrophobicContact CG2-CB 4.28Å
57	S	88.9	Confident	84.7	Confident	59 Å²	59	77.5 Å²	77.5	41%	0.413	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	128.5	179.6	174.4	0	0	0	0	109.7	V44	V44-S57 CarbonylContact O-C 3.41Å; V44-S57 WeakPolarHBondContact O-CA 3.41Å
58	W	89.8	Confident	83.8	Confident	36 Å²	36	82.2 Å²	82.2	14%	0.136	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.3	179.3	-49	-82.5	0	0	0	110.9	S43 V44 V46 T56 L60 L86 Y97 W102	S43-W58 WeakPolarHBondContact CA-O 3.48Å; V44-W58 HydrophobicContact CB-CE3 4.11Å; V44-W58 HydrophobicContact CG1-CE3 3.94Å; V44-W58 HydrophobicContact CG1-CZ3 4.04Å; V44-W58 PolarHBondContact N-O 2.87Å; V44-W58 PolarHBondContact O-N 3.23Å; V46-W58 HydrophobicContact CG2-CH2 3.74Å; V46-W58 HydrophobicContact CG2-CZ3 3.71Å; T56-W58 HydrophobicContact CG2-CD2 4.14Å; T56-W58 HydrophobicContact CG2-CH2 4.41Å; T56-W58 HydrophobicContact CG2-CZ2 3.72Å; W58-L60 VanDerWaalsContact C-N 3.3Å; W58-L60 HydrophobicContact CB-CD1 3.73Å; W58-L60 HydrophobicContact CB-CD2 4.17Å; W58-L60 HydrophobicContact CB-CG 3.59Å; W58-L60 HydrophobicContact CE3-CD1 4.5Å; W58-L60 HydrophobicContact CG-CD1 4.32Å; W58-L60 PolarHBondContact O-N 2.92Å; W58-L86 HydrophobicContact CH2-CD2 4.44Å; W58-L86 HydrophobicContact CZ3-CD2 4.39Å; W58-Y97 HydrophobicContact CD2-CE1 4.28Å; W58-Y97 AromaticContact CE2-CD1 3.88Å; W58-Y97 AromaticContact CE2-CE1 3.68Å; W58-Y97 HydrophobicContact CH2-CD1 4.08Å; W58-Y97 HydrophobicContact CH2-CD2 4.48Å; W58-Y97 HydrophobicContact CH2-CG 4.06Å; W58-Y97 AromaticContact CZ2-CD1 3.48Å; W58-Y97 HydrophobicContact CZ2-CD1 3.48Å; W58-Y97 VanDerWaalsContact CZ2-CD1 3.48Å; W58-Y97 AromaticContact CZ2-CE1 3.8Å; W58-Y97 HydrophobicContact CZ2-CE1 3.8Å; W58-Y97 AromaticContact CZ2-CG 3.94Å; W58-Y97 HydrophobicContact CZ2-CG 3.94Å; W58-Y97 AromaticContact NE1-CE1 3.77Å; W58-W102 HydrophobicContact CH2-CE3 4.15Å; W58-W102 HydrophobicContact CZ2-CB 3.97Å; W58-W102 WeakPolarHBondContact CZ2-O 3.48Å
59	P	86.3	Confident	82.9	Confident	120 Å²	120	86 Å²	86	78%	0.779	45%	0.453	S	S	*	.			trans	-80.9	75.1	175.1	33.8	-33.9	0	0	0	110.5	G42	G42-P59 CarbonylContact O-C 3.55Å; G42-P59 WeakPolarHBondContact O-CA 3.34Å
60	L	83.2	Confident	82.3	Confident	43 Å²	43	86.3 Å²	86.3	23%	0.225	46%	0.457	C	S	.	.			trans	-96.7	-14.4	-173.7	-62.7	171.6	0	0	0	114	G42 V44 W58 V88 V90 Y97	G42-L60 PolarHBondContact O-N 3.48Å; G42-L60 VanDerWaalsContact O-N 3.12Å; V44-L60 HydrophobicContact CB-CD1 4.29Å; V44-L60 HydrophobicContact CG2-CB 4.45Å; V44-L60 HydrophobicContact CG2-CD1 4.26Å; W58-L60 VanDerWaalsContact C-N 3.3Å; W58-L60 HydrophobicContact CB-CD1 3.73Å; W58-L60 HydrophobicContact CB-CD2 4.17Å; W58-L60 HydrophobicContact CB-CG 3.59Å; W58-L60 HydrophobicContact CE3-CD1 4.5Å; W58-L60 HydrophobicContact CG-CD1 4.32Å; W58-L60 PolarHBondContact O-N 2.92Å; L60-V88 HydrophobicContact CD1-CG1 3.95Å; L60-V90 HydrophobicContact CB-CG1 4.33Å; L60-V90 HydrophobicContact CB-CG2 3.97Å; L60-V90 HydrophobicContact CD1-CG2 4.13Å; L60-V90 HydrophobicContact CG-CG2 4.47Å; L60-V90 WeakPolarHBondContact O-CG1 3.44Å; L60-Y97 HydrophobicContact CD1-CE2 4.28Å; L60-Y97 WeakPolarHBondContact CD1-OH 3.46Å
61	L	81.8	Confident	81.5	Confident	30 Å²	30	82.3 Å²	82.3	16%	0.157	45%	0.45	C	S	.	.	S	Bend	trans	-114.6	150.3	-174.1	-59.3	175.1	0	0	0	110.9	L24 G42 V44 K63 C74	L24-L61 HydrophobicContact CD1-CD1 4.41Å; G42-L61 WeakPolarHBondContact CA-O 3.44Å; G42-L61 PolarHBondContact O-N 3.33Å; V44-L61 HydrophobicContact CG2-CD1 4.27Å; V44-L61 HydrophobicContact CG2-CG 4.45Å; L61-K63 PolarHBondContact O-N 3.36Å; L61-C74 HydrophobicContact CD1-CB 3.7Å; L61-C74 HydrophobicContact CD2-CB 3.94Å; L61-C74 HydrophobicContact CG-CB 4.47Å
62	Q	81.6	Confident	81.2	Confident	154 Å²	154	78.2 Å²	78.2	72%	0.72	43%	0.429	S	S	*	.			trans	-65.9	129	170.7	-175.5	175.4	-0.9	0	0	109.6	T64	Q62-T64 PolarHBondContact O-N 3.19Å
63	K	82.9	Confident	81	Confident	141 Å²	141	76.5 Å²	76.5	61%	0.613	42%	0.423	S	S	*	.			trans	-64.3	130.8	177	-63.5	-161.3	175	-108.4	0	110.9	C40 D41 L61	C40-K63 CarbonylContact O-C 3.45Å; C40-K63 WeakPolarHBondContact O-CA 3.42Å; D41-K63 WeakPolarHBondContact O-CE 3.25Å; D41-K63 WeakPolarHBondContact O-CG 3.46Å; D41-K63 PolarHBondContact O-NZ 3.22Å; L61-K63 PolarHBondContact O-N 3.36Å
64	T	80.1	Confident	81	Confident	22 Å²	22	73.3 Å²	73.3	14%	0.135	40%	0.403	C	S	.	.			trans	-136.3	154.4	173.5	67.6	0	0	0	0	110.9	C40 Q62 D66	C40-T64 VanDerWaalsContact CB-O 3.24Å; C40-T64 WeakPolarHBondContact CB-O 3.42Å; C40-T64 PolarHBondContact O-N 2.98Å; C40-T64 VanDerWaalsContact O-O 3.1Å; Q62-T64 PolarHBondContact O-N 3.19Å; T64-D66 PolarHBondContact OG1-O 3.24Å
65	N	72.9	Confident	81	Confident	146 Å²	146	68.9 Å²	68.9	78%	0.781	39%	0.387	S	S	*	.	S	Bend	trans	-82.3	-29.4	-179.3	-63.1	-9.1	0	0	0	112.3
66	D	76.4	Confident	81.2	Confident	84 Å²	84	66.5 Å²	66.5	45%	0.449	37%	0.372	S	S	.	.	S	Bend	trans	-131.2	150.7	-173.3	-62.7	-73.5	0	0	0	112	T64 S68 N69 A70	T64-D66 PolarHBondContact OG1-O 3.24Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 PolarHBondContact O-N 2.89Å; D66-N69 HydrophobicContact CB-CB 4.4Å; D66-N69 PolarHBondContact O-N 3.04Å; D66-N69 PolarHBondContact OD2-ND2 2.98Å; D66-A70 PolarHBondContact O-N 2.86Å
67	V	77.3	Confident	81.5	Confident	67 Å²	67	65.3 Å²	65.3	41%	0.406	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.1	-37.2	176	178	0	0	0	0	111.8	P22 L24 N69 A70	P22-V67 HydrophobicContact CB-CG2 3.66Å; P22-V67 HydrophobicContact CG-CG2 4.35Å; L24-V67 HydrophobicContact CD2-CB 4.35Å; L24-V67 HydrophobicContact CD2-CG1 3.87Å; L24-V67 HydrophobicContact CD2-CG2 4.17Å; V67-N69 PolarHBondContact O-N 3.17Å; V67-A70 WeakPolarHBondContact O-CB 3.47Å; V67-A70 PolarHBondContact O-N 2.77Å
68	S	75	Confident	81.6	Confident	103 Å²	103	63.1 Å²	63.1	72%	0.72	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-65.2	-20.5	177.8	59.9	0	0	0	0	113.8	D66	D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 PolarHBondContact O-N 2.89Å
69	N	71.6	Confident	81.5	Confident	105 Å²	105	62.6 Å²	62.6	56%	0.561	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-103.5	2.8	-175.4	-59.8	-21.1	0	0	0	111.7	D66 V67	D66-N69 HydrophobicContact CB-CB 4.4Å; D66-N69 PolarHBondContact O-N 3.04Å; D66-N69 PolarHBondContact OD2-ND2 2.98Å; V67-N69 PolarHBondContact O-N 3.17Å
70	A	75.3	Confident	81.3	Confident	23 Å²	23	58.8 Å²	58.8	19%	0.19	32%	0.323	C	S	.	.			trans	-74.2	127.3	177	0	0	0	0	0	111.2	L24 D66 V67 S72	L24-A70 HydrophobicContact CD1-CB 4.39Å; L24-A70 HydrophobicContact CD2-CB 4.19Å; D66-A70 PolarHBondContact O-N 2.86Å; V67-A70 WeakPolarHBondContact O-CB 3.47Å; V67-A70 PolarHBondContact O-N 2.77Å; A70-S72 PolarHBondContact O-N 2.74Å
71	A	69.5	Low	81.1	Confident	66 Å²	66	61.2 Å²	61.2	55%	0.545	35%	0.349	S	S	.	.	S	Bend	trans	-70.1	-13.8	-179	0	0	0	0	0	114.3
72	S	78.1	Confident	80.6	Confident	16 Å²	16	62.6 Å²	62.6	11%	0.112	37%	0.365	C	S	.	.			trans	-151	146.9	169.5	166.2	0	0	0	0	109.5	A70 C74 V117 N118	A70-S72 PolarHBondContact O-N 2.74Å; S72-C74 PolarHBondContact O-N 3.02Å; S72-C74 PolarHBondContact OG-N 3.35Å; S72-V117 PolarHBondContact OG-O 3.24Å; S72-N118 WeakPolarHBondContact CA-OD1 3.48Å
73	L	81.1	Confident	80.5	Confident	49 Å²	49	55.3 Å²	55.3	26%	0.257	33%	0.331	S	S	.	.			trans	-75	-10.5	172.8	-66.4	176.7	0	0	0	113.8	R75 N118 C161	L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 HydrophobicContact CB-CG 4.47Å; L73-R75 PolarHBondContact O-N 2.87Å; L73-N118 PolarHBondContact N-OD1 2.94Å; L73-C161 HydrophobicContact CD1-CB 4.3Å
74	C	86	Confident	80.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.324	C	S	.	.			trans	37.6	56.9	-179.7	-166.8	0	0	0	0	114	S25 S38 L61 S72 L76 P89 N118	S25-C74 WeakPolarHBondContact CB-O 3.47Å; S38-C74 PolarHBondContact OG-O 2.99Å; L61-C74 HydrophobicContact CD1-CB 3.7Å; L61-C74 HydrophobicContact CD2-CB 3.94Å; L61-C74 HydrophobicContact CG-CB 4.47Å; S72-C74 PolarHBondContact O-N 3.02Å; S72-C74 PolarHBondContact OG-N 3.35Å; C74-L76 PolarHBondContact O-N 3.28Å; C74-L76 VanDerWaalsContact O-N 3.17Å; C74-P89 PolarHBondContact SG-O 3.41Å; C74-N118 PolarHBondContact N-O 2.88Å
75	R	88.6	Confident	81	Confident	85 Å²	85	53.8 Å²	53.8	32%	0.321	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-72.9	107.4	175	-65.2	-77.1	-158.9	73.7	7.1	109.7	S25 L73 P89 N118 V119 A120 S162	S25-R75 WeakPolarHBondContact OG-CA 3.43Å; S25-R75 WeakPolarHBondContact OG-CD 3.41Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 HydrophobicContact CB-CG 4.47Å; L73-R75 PolarHBondContact O-N 2.87Å; R75-P89 WeakPolarHBondContact O-CG 3.42Å; R75-N118 PolarHBondContact N-O 3Å; R75-V119 HydrophobicContact CB-CB 3.81Å; R75-V119 HydrophobicContact CB-CG2 3.78Å; R75-V119 HydrophobicContact CG-CB 4.19Å; R75-V119 HydrophobicContact CG-CG2 4.33Å; R75-A120 PolarHBondContact O-N 3.16Å; R75-S162 PolarHBondContact NH1-OG 2.97Å
76	L	92.1	Very high	81.8	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.047	29%	0.286	C	S	.	.			trans	-77.8	153.3	-179.8	-50.5	-177.8	0	0	0	111.5	S25 T27 A36 V44 C74 V88	S25-L76 PolarHBondContact OG-N 3.4Å; T27-L76 HydrophobicContact CG2-CB 3.54Å; T27-L76 HydrophobicContact CG2-CD1 4.48Å; A36-L76 HydrophobicContact CB-CD1 4.03Å; V44-L76 HydrophobicContact CG1-CD1 3.87Å; V44-L76 HydrophobicContact CG1-CD2 4.31Å; V44-L76 HydrophobicContact CG2-CD2 4.5Å; C74-L76 PolarHBondContact O-N 3.28Å; C74-L76 VanDerWaalsContact O-N 3.17Å; L76-V88 HydrophobicContact CD2-CB 4.23Å; L76-V88 HydrophobicContact CD2-CG1 3.78Å; L76-V88 HydrophobicContact CD2-CG2 4.22Å
77	A	91.9	Very high	82.5	Confident	13 Å²	13	42.9 Å²	42.9	11%	0.107	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	130.1	171.4	0	0	0	0	0	113.7	A87 A120 W122	A77-A87 PolarHBondContact N-O 3.11Å; A77-A87 VanDerWaalsContact N-O 3.14Å; A77-A87 WeakPolarHBondContact O-CB 3.25Å; A77-A87 PolarHBondContact O-N 3.33Å; A77-A120 WeakPolarHBondContact CB-O 3.45Å; A77-W122 PolarHBondContact O-NE1 2.68Å
78	F	91.7	Very high	83.1	Confident	14 Å²	14	39.7 Å²	39.7	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.3	166.1	-80.7	-80.5	0	0	0	112.3	T27 F28 D29 A36 L86 W102	T27-F78 HydrophobicContact CG2-CD2 3.73Å; T27-F78 HydrophobicContact CG2-CE2 4.02Å; F28-F78 VanDerWaalsContact C-CD2 3.42Å; F28-F78 VanDerWaalsContact O-CD2 3.28Å; F28-F78 WeakPolarHBondContact O-CD2 3.44Å; D29-F78 HydrophobicContact CB-CD1 4.36Å; D29-F78 HydrophobicContact CB-CD2 4.26Å; D29-F78 HydrophobicContact CB-CE1 4.21Å; D29-F78 HydrophobicContact CB-CE2 4.1Å; D29-F78 HydrophobicContact CB-CG 4.38Å; D29-F78 HydrophobicContact CB-CZ 4.08Å; A36-F78 HydrophobicContact CB-CE2 3.66Å; A36-F78 HydrophobicContact CB-CZ 4.01Å; F78-L86 HydrophobicContact CD1-CB 4Å; F78-L86 HydrophobicContact CD1-CD1 4.11Å; F78-L86 HydrophobicContact CD2-CD1 3.95Å; F78-L86 HydrophobicContact CE1-CB 3.81Å; F78-L86 HydrophobicContact CE1-CD1 4.09Å; F78-L86 HydrophobicContact CE1-CD2 4.46Å; F78-L86 HydrophobicContact CE1-CG 4.33Å; F78-L86 HydrophobicContact CE2-CD1 3.94Å; F78-L86 HydrophobicContact CG-CD1 4.04Å; F78-L86 HydrophobicContact CZ-CB 4.38Å; F78-L86 HydrophobicContact CZ-CD1 4.01Å; F78-L86 HydrophobicContact CZ-CD2 4.24Å; F78-L86 HydrophobicContact CZ-CG 4.44Å; F78-W102 HydrophobicContact CE1-CH2 4.02Å; F78-W102 HydrophobicContact CE1-CZ3 4.15Å; F78-W102 HydrophobicContact CZ-CH2 4.14Å; F78-W102 HydrophobicContact CZ-CZ3 4.38Å
79	Q	88.1	Confident	83.8	Confident	25 Å²	25	34.8 Å²	34.8	12%	0.117	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-68.4	122.5	173.8	-173.8	-175.5	27.5	0	0	110.7	G83 L85 W122 G126	Q79-G83 VanDerWaalsContact O-CA 3.29Å; Q79-G83 WeakPolarHBondContact O-CA 3.1Å; Q79-G83 PolarHBondContact O-N 3.14Å; Q79-L85 HydrophobicContact CB-CB 4.31Å; Q79-L85 WeakPolarHBondContact CB-O 3.21Å; Q79-L85 PolarHBondContact N-O 2.9Å; Q79-W122 HydrophobicContact CB-CD2 3.98Å; Q79-W122 HydrophobicContact CB-CE3 4.21Å; Q79-W122 HydrophobicContact CB-CH2 4.08Å; Q79-W122 HydrophobicContact CB-CZ2 3.85Å; Q79-W122 HydrophobicContact CB-CZ3 4.25Å; Q79-W122 HydrophobicContact CG-CD2 4.13Å; Q79-W122 HydrophobicContact CG-CE3 3.87Å; Q79-W122 HydrophobicContact CG-CH2 4.08Å; Q79-W122 HydrophobicContact CG-CZ2 4.34Å; Q79-W122 HydrophobicContact CG-CZ3 3.83Å; Q79-G126 PolarHBondContact NE2-O 3.04Å
80	P	82.9	Confident	84.5	Confident	40 Å²	40	30.4 Å²	30.4	26%	0.26	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	159.7	-175.2	26.1	-34.3	0	0	0	113	A82 W122 S123	P80-A82 PolarHBondContact O-N 3.14Å; P80-W122 VanDerWaalsContact CD-CB 3.42Å; P80-W122 HydrophobicContact CG-CB 4.21Å; P80-S123 VanDerWaalsContact CG-O 3.23Å; P80-S123 WeakPolarHBondContact CG-O 3.41Å
81	A	77.8	Confident	85	Confident	94 Å²	94	36.3 Å²	36.3	78%	0.777	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	-53.7	-176.9	0	0	0	0	0	116.1
82	A	72.4	Confident	85.7	Confident	59 Å²	59	35.6 Å²	35.6	49%	0.488	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-30	-177.4	0	0	0	0	0	113.6	P80 K84	P80-A82 PolarHBondContact O-N 3.14Å; A82-K84 HydrophobicContact CB-CB 4.4Å; A82-K84 PolarHBondContact O-N 2.85Å; A82-K84 VanDerWaalsContact O-N 3.14Å
83	G	77.8	Confident	86.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.			trans	62.3	15.1	-175.1	0	0	0	0	0	114.2	P30 Q79 R99	P30-G83 VanDerWaalsContact CG-CA 3.44Å; Q79-G83 VanDerWaalsContact O-CA 3.29Å; Q79-G83 WeakPolarHBondContact O-CA 3.1Å; Q79-G83 PolarHBondContact O-N 3.14Å; G83-R99 WeakPolarHBondContact O-CB 3.34Å; G83-R99 WeakPolarHBondContact O-CD 3.28Å
84	K	85.6	Confident	86.6	Confident	110 Å²	110	38.3 Å²	38.3	48%	0.478	21%	0.206	S	C	.	.			trans	-71.3	-36.1	-168.8	179	172.1	176.6	165.7	0	112.8	A82 E98 R99	A82-K84 HydrophobicContact CB-CB 4.4Å; A82-K84 PolarHBondContact O-N 2.85Å; A82-K84 VanDerWaalsContact O-N 3.14Å; K84-E98 WeakPolarHBondContact CE-OE1 3.43Å; K84-E98 IonicContact NZ-OE1 2.77Å; K84-E98 PolarHBondContact NZ-OE1 2.92Å; K84-R99 PolarHBondContact O-N 3.32Å
85	L	88.8	Confident	86.8	Confident	22 Å²	22	39.8 Å²	39.8	12%	0.115	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.1	-176.4	-63.1	175	0	0	0	112.3	Q79 Y97 E98 W122 V143	Q79-L85 HydrophobicContact CB-CB 4.31Å; Q79-L85 WeakPolarHBondContact CB-O 3.21Å; Q79-L85 PolarHBondContact N-O 2.9Å; L85-Y97 WeakPolarHBondContact CA-O 3.19Å; L85-E98 HydrophobicContact CD2-CB 4.35Å; L85-W122 HydrophobicContact CB-CH2 3.99Å; L85-W122 HydrophobicContact CB-CZ2 3.85Å; L85-W122 HydrophobicContact CD1-CH2 3.97Å; L85-V143 HydrophobicContact CD1-CG1 4.11Å
86	L	90.3	Very high	86.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.8	165.5	175	61.4	0	0	0	109.1	T27 A36 V46 W58 F78 V88 L96 Y97 W102	T27-L86 HydrophobicContact CG2-CD1 4.08Å; A36-L86 HydrophobicContact CB-CD1 3.97Å; A36-L86 HydrophobicContact CB-CD2 3.72Å; V46-L86 HydrophobicContact CG2-CD2 4.15Å; W58-L86 HydrophobicContact CH2-CD2 4.44Å; W58-L86 HydrophobicContact CZ3-CD2 4.39Å; F78-L86 HydrophobicContact CD1-CB 4Å; F78-L86 HydrophobicContact CD1-CD1 4.11Å; F78-L86 HydrophobicContact CD2-CD1 3.95Å; F78-L86 HydrophobicContact CE1-CB 3.81Å; F78-L86 HydrophobicContact CE1-CD1 4.09Å; F78-L86 HydrophobicContact CE1-CD2 4.46Å; F78-L86 HydrophobicContact CE1-CG 4.33Å; F78-L86 HydrophobicContact CE2-CD1 3.94Å; F78-L86 HydrophobicContact CG-CD1 4.04Å; F78-L86 HydrophobicContact CZ-CB 4.38Å; F78-L86 HydrophobicContact CZ-CD1 4.01Å; F78-L86 HydrophobicContact CZ-CD2 4.24Å; F78-L86 HydrophobicContact CZ-CG 4.44Å; L86-V88 HydrophobicContact CD2-CG2 4.12Å; L86-V88 HydrophobicContact CG-CG2 3.91Å; L86-L96 WeakPolarHBondContact O-CA 3.5Å; L86-Y97 PolarHBondContact N-O 2.97Å; L86-Y97 PolarHBondContact O-N 3.48Å; L86-W102 HydrophobicContact CD2-CZ3 4.34Å
87	A	90.7	Very high	86.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.2	174	0	0	0	0	0	110.7	A77 V94 L96 A120 W122 L129	A77-A87 PolarHBondContact N-O 3.11Å; A77-A87 VanDerWaalsContact N-O 3.14Å; A77-A87 WeakPolarHBondContact O-CB 3.25Å; A77-A87 PolarHBondContact O-N 3.33Å; A87-V94 HydrophobicContact CB-CG1 4.01Å; A87-L96 HydrophobicContact CB-CD2 3.99Å; A87-A120 HydrophobicContact CB-CB 4.33Å; A87-W122 HydrophobicContact CB-CZ2 4.09Å; A87-L129 HydrophobicContact CB-CD1 3.96Å; A87-L129 HydrophobicContact CB-CD2 4.06Å
88	V	90.5	Very high	86.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105.3	-178.1	-174.7	0	0	0	0	108.9	V44 L60 L76 L86 V90 H95 Y97	V44-V88 HydrophobicContact CG1-CG1 4.35Å; V44-V88 HydrophobicContact CG1-CG2 4.49Å; V44-V88 HydrophobicContact CG2-CG1 4Å; L60-V88 HydrophobicContact CD1-CG1 3.95Å; L76-V88 HydrophobicContact CD2-CB 4.23Å; L76-V88 HydrophobicContact CD2-CG1 3.78Å; L76-V88 HydrophobicContact CD2-CG2 4.22Å; L86-V88 HydrophobicContact CD2-CG2 4.12Å; L86-V88 HydrophobicContact CG-CG2 3.91Å; V88-V90 HydrophobicContact CG1-CG2 3.78Å; V88-V90 PolarHBondContact O-N 2.85Å; V88-H95 PolarHBondContact N-O 2.78Å; V88-H95 PolarHBondContact O-N 2.9Å; V88-Y97 HydrophobicContact CB-CD2 4.33Å; V88-Y97 HydrophobicContact CB-CE2 4.05Å; V88-Y97 HydrophobicContact CG2-CD2 3.68Å; V88-Y97 HydrophobicContact CG2-CE2 3.8Å
89	P	88.9	Confident	86.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.5	172.1	27.3	-32.9	0	0	0	110.5	C74 R75 R93 V94 V117 A120	C74-P89 PolarHBondContact SG-O 3.41Å; R75-P89 WeakPolarHBondContact O-CG 3.42Å; P89-R93 WeakPolarHBondContact CA-O 3.42Å; P89-V94 HydrophobicContact CB-CG2 4.4Å; P89-V117 HydrophobicContact CB-CB 3.84Å; P89-V117 HydrophobicContact CB-CG1 3.56Å; P89-A120 HydrophobicContact CG-CB 4.43Å
90	V	85.8	Confident	86.3	Confident	14 Å²	14	40.1 Å²	40.1	9%	0.085	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	121.1	-179.3	-175.8	0	0	0	0	108.2	L60 V88 T92 R93	L60-V90 HydrophobicContact CB-CG1 4.33Å; L60-V90 HydrophobicContact CB-CG2 3.97Å; L60-V90 HydrophobicContact CD1-CG2 4.13Å; L60-V90 HydrophobicContact CG-CG2 4.47Å; L60-V90 WeakPolarHBondContact O-CG1 3.44Å; V88-V90 HydrophobicContact CG1-CG2 3.78Å; V88-V90 PolarHBondContact O-N 2.85Å; V90-T92 PolarHBondContact O-N 3.27Å; V90-R93 PolarHBondContact N-O 3.23Å; V90-R93 CarbonylContact O-C 3.55Å; V90-R93 PolarHBondContact O-N 2.92Å
91	E	85.7	Confident	86.3	Confident	147 Å²	147	41 Å²	41	69%	0.687	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.5	-128.8	-174.1	-59.4	-177.2	169.4	0	0	111.1	R93 P116 V117	E91-R93 PolarHBondContact O-N 3.34Å; E91-P116 CarbonylContact O-C 3.59Å; E91-P116 VanDerWaalsContact O-CA 3.26Å; E91-P116 WeakPolarHBondContact O-CA 3.31Å; E91-V117 PolarHBondContact O-N 2.9Å
92	T	84.3	Confident	86.7	Confident	51 Å²	51	37.1 Å²	37.1	31%	0.313	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	12	-179.1	57.4	0	0	0	0	114.1	V90 L113	V90-T92 PolarHBondContact O-N 3.27Å; T92-L113 VanDerWaalsContact CB-O 3.31Å; T92-L113 WeakPolarHBondContact CB-O 3.24Å; T92-L113 WeakPolarHBondContact CG2-O 3.26Å
93	R	88	Confident	87.4	Confident	122 Å²	122	39.6 Å²	39.6	46%	0.46	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	164.5	-170.4	-56.5	-168.1	174.4	-179.8	-2.1	112.3	P89 V90 E91 L108	P89-R93 WeakPolarHBondContact CA-O 3.42Å; V90-R93 PolarHBondContact N-O 3.23Å; V90-R93 CarbonylContact O-C 3.55Å; V90-R93 PolarHBondContact O-N 2.92Å; E91-R93 PolarHBondContact O-N 3.34Å; R93-L108 CarbonylContact C-O 3.48Å; R93-L108 WeakPolarHBondContact CA-O 3.49Å
94	V	90.2	Very high	87.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.2	168.8	-168.9	0	0	0	0	109.4	A87 P89 S107 L108 V117 A120 L129 A131 W141	A87-V94 HydrophobicContact CB-CG1 4.01Å; P89-V94 HydrophobicContact CB-CG2 4.4Å; V94-S107 CarbonylContact O-C 3.52Å; V94-S107 WeakPolarHBondContact O-CA 3.18Å; V94-L108 HydrophobicContact CB-CB 4.48Å; V94-L108 PolarHBondContact N-O 3.38Å; V94-L108 PolarHBondContact O-N 3.06Å; V94-V117 HydrophobicContact CG2-CG1 4.11Å; V94-V117 HydrophobicContact CG2-CG2 4.47Å; V94-A120 HydrophobicContact CG1-CB 4.16Å; V94-L129 HydrophobicContact CB-CD2 4.4Å; V94-L129 HydrophobicContact CG1-CD2 3.88Å; V94-A131 HydrophobicContact CG2-CB 4.08Å; V94-W141 HydrophobicContact CG2-CH2 4.38Å; V94-W141 HydrophobicContact CG2-CZ3 4.43Å
95	H	91.2	Very high	87.8	Confident	31 Å²	31	41.8 Å²	41.8	14%	0.144	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.3	179.9	-68.5	-117.4	0	0	0	109.7	V88 Y97 Q104	V88-H95 PolarHBondContact N-O 2.78Å; V88-H95 PolarHBondContact O-N 2.9Å; H95-Y97 HydrophobicContact CB-CD2 4.43Å; H95-Y97 HydrophobicContact CB-CE2 3.7Å; H95-Q104 HydrophobicContact CB-CG 4.48Å; H95-Q104 PolarHBondContact ND1-NE2 3.27Å; H95-Q104 PolarHBondContact ND1-OE1 3.15Å
96	L	91.3	Very high	87.5	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.1	-179.6	-62.1	176.1	0	0	0	109.1	L86 A87 Q104 V105 G106 L108 W122 L129 V143	L86-L96 WeakPolarHBondContact O-CA 3.5Å; A87-L96 HydrophobicContact CB-CD2 3.99Å; L96-Q104 CarbonylContact O-C 3.58Å; L96-V105 PolarHBondContact O-N 2.83Å; L96-G106 PolarHBondContact N-O 3.4Å; L96-G106 PolarHBondContact O-N 3.3Å; L96-L108 HydrophobicContact CD1-CD1 4.09Å; L96-L108 HydrophobicContact CD1-CG 4.12Å; L96-W122 HydrophobicContact CD2-CH2 4.28Å; L96-W122 HydrophobicContact CD2-CZ2 4.01Å; L96-L129 HydrophobicContact CD2-CD2 4.47Å; L96-V143 HydrophobicContact CD1-CG1 3.66Å
97	Y	91.6	Very high	87.3	Confident	8 Å²	8	43 Å²	43	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.7	177.3	-65	-90.8	0	0	0	110.2	W58 L60 L85 L86 V88 H95 W102 D103 Q104	W58-Y97 HydrophobicContact CD2-CE1 4.28Å; W58-Y97 AromaticContact CE2-CD1 3.88Å; W58-Y97 AromaticContact CE2-CE1 3.68Å; W58-Y97 HydrophobicContact CH2-CD1 4.08Å; W58-Y97 HydrophobicContact CH2-CD2 4.48Å; W58-Y97 HydrophobicContact CH2-CG 4.06Å; W58-Y97 AromaticContact CZ2-CD1 3.48Å; W58-Y97 HydrophobicContact CZ2-CD1 3.48Å; W58-Y97 VanDerWaalsContact CZ2-CD1 3.48Å; W58-Y97 AromaticContact CZ2-CE1 3.8Å; W58-Y97 HydrophobicContact CZ2-CE1 3.8Å; W58-Y97 AromaticContact CZ2-CG 3.94Å; W58-Y97 HydrophobicContact CZ2-CG 3.94Å; W58-Y97 AromaticContact NE1-CE1 3.77Å; L60-Y97 HydrophobicContact CD1-CE2 4.28Å; L60-Y97 WeakPolarHBondContact CD1-OH 3.46Å; L85-Y97 WeakPolarHBondContact CA-O 3.19Å; L86-Y97 PolarHBondContact N-O 2.97Å; L86-Y97 PolarHBondContact O-N 3.48Å; V88-Y97 HydrophobicContact CB-CD2 4.33Å; V88-Y97 HydrophobicContact CB-CE2 4.05Å; V88-Y97 HydrophobicContact CG2-CD2 3.68Å; V88-Y97 HydrophobicContact CG2-CE2 3.8Å; H95-Y97 HydrophobicContact CB-CD2 4.43Å; H95-Y97 HydrophobicContact CB-CE2 3.7Å; Y97-W102 WeakPolarHBondContact CD1-O 3.45Å; Y97-D103 WeakPolarHBondContact CA-O 3.38Å; Y97-Q104 HydrophobicContact CD1-CB 4.03Å; Y97-Q104 HydrophobicContact CD1-CG 4.46Å; Y97-Q104 HydrophobicContact CE1-CB 3.74Å; Y97-Q104 HydrophobicContact CE1-CG 4.11Å
98	E	90.9	Very high	87.1	Confident	56 Å²	56	43 Å²	43	26%	0.262	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.2	176.7	-175.1	168.8	-128.1	0	0	111	K84 L85 G100 S101 W102 D103 V105	K84-E98 WeakPolarHBondContact CE-OE1 3.43Å; K84-E98 IonicContact NZ-OE1 2.77Å; K84-E98 PolarHBondContact NZ-OE1 2.92Å; L85-E98 HydrophobicContact CD2-CB 4.35Å; E98-G100 PolarHBondContact O-N 3.21Å; E98-S101 PolarHBondContact O-OG 3.43Å; E98-W102 VanDerWaalsContact O-CA 3.24Å; E98-W102 WeakPolarHBondContact O-CA 3.27Å; E98-W102 PolarHBondContact O-N 3.33Å; E98-D103 PolarHBondContact N-O 3.1Å; E98-V105 HydrophobicContact CB-CG2 3.59Å
99	R	85.1	Confident	86.7	Confident	35 Å²	35	45.8 Å²	45.8	13%	0.132	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	133	-179.1	172.3	179.3	169.4	172.7	4.8	111.3	D29 K31 E33 G83 K84 S101 W102	D29-R99 VanDerWaalsContact CG-CZ 3.46Å; D29-R99 WeakPolarHBondContact OD1-CD 3.28Å; D29-R99 IonicContact OD1-CZ 3.78Å; D29-R99 VanDerWaalsContact OD1-CZ 3.27Å; D29-R99 IonicContact OD1-NE 2.66Å; D29-R99 IonicContact OD1-NH1 3.61Å; D29-R99 PolarHBondContact OD1-NH1 3.14Å; D29-R99 IonicContact OD2-CZ 3.58Å; D29-R99 IonicContact OD2-NH1 2.65Å; D29-R99 PolarHBondContact OD2-NH1 3.49Å; D29-R99 IonicContact OD2-NH2 3.55Å; D29-R99 PolarHBondContact OD2-NH2 2.99Å; K31-R99 VanDerWaalsContact CE-NH1 3.27Å; E33-R99 IonicContact OE1-NH2 2.69Å; E33-R99 PolarHBondContact OE1-NH2 3.32Å; E33-R99 IonicContact OE2-CZ 2.85Å; E33-R99 IonicContact OE2-NE 3.55Å; E33-R99 IonicContact OE2-NH2 3.56Å; E33-R99 PolarHBondContact OE2-NH2 3.37Å; G83-R99 WeakPolarHBondContact O-CB 3.34Å; G83-R99 WeakPolarHBondContact O-CD 3.28Å; K84-R99 PolarHBondContact O-N 3.32Å; R99-S101 PolarHBondContact O-N 3.36Å; R99-W102 HydrophobicContact CB-CH2 4.24Å; R99-W102 HydrophobicContact CG-CH2 4.08Å; R99-W102 HydrophobicContact CG-CZ2 4.17Å
100	G	82.9	Confident	86.2	Confident	50 Å²	50	46.9 Å²	46.9	52%	0.515	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-51.7	174.7	0	0	0	0	0	113	E98	E98-G100 PolarHBondContact O-N 3.21Å
101	S	82.6	Confident	85.5	Confident	58 Å²	58	55.2 Å²	55.2	41%	0.406	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-35.3	168.1	52.4	0	0	0	0	111.9	E98 R99 D103	E98-S101 PolarHBondContact O-OG 3.43Å; R99-S101 PolarHBondContact O-N 3.36Å; S101-D103 PolarHBondContact O-N 2.83Å
102	W	86.8	Confident	84.7	Confident	13 Å²	13	53.3 Å²	53.3	5%	0.049	29%	0.289	C	S	.	.			trans	60.1	20.9	-173.3	-55.2	110.4	0	0	0	113.6	Y34 V46 T56 W58 F78 L86 Y97 E98 R99	Y34-W102 HydrophobicContact CD1-CZ2 4.08Å; Y34-W102 HydrophobicContact CD2-CH2 4.43Å; Y34-W102 AromaticContact CD2-CZ2 3.99Å; Y34-W102 HydrophobicContact CD2-CZ2 3.99Å; Y34-W102 HydrophobicContact CE1-CZ2 4.29Å; Y34-W102 HydrophobicContact CE2-CZ2 4.22Å; Y34-W102 HydrophobicContact CG-CH2 4.36Å; Y34-W102 AromaticContact CG-CZ2 3.93Å; Y34-W102 HydrophobicContact CG-CZ2 3.93Å; V46-W102 HydrophobicContact CG1-CH2 3.77Å; V46-W102 HydrophobicContact CG1-CZ2 3.72Å; V46-W102 HydrophobicContact CG1-CZ3 4.23Å; V46-W102 HydrophobicContact CG2-CE3 4.09Å; V46-W102 HydrophobicContact CG2-CH2 4.43Å; V46-W102 HydrophobicContact CG2-CZ3 4.04Å; T56-W102 HydrophobicContact CG2-CB 4.28Å; W58-W102 HydrophobicContact CH2-CE3 4.15Å; W58-W102 HydrophobicContact CZ2-CB 3.97Å; W58-W102 WeakPolarHBondContact CZ2-O 3.48Å; F78-W102 HydrophobicContact CE1-CH2 4.02Å; F78-W102 HydrophobicContact CE1-CZ3 4.15Å; F78-W102 HydrophobicContact CZ-CH2 4.14Å; F78-W102 HydrophobicContact CZ-CZ3 4.38Å; L86-W102 HydrophobicContact CD2-CZ3 4.34Å; Y97-W102 WeakPolarHBondContact CD1-O 3.45Å; E98-W102 VanDerWaalsContact O-CA 3.24Å; E98-W102 WeakPolarHBondContact O-CA 3.27Å; E98-W102 PolarHBondContact O-N 3.33Å; R99-W102 HydrophobicContact CB-CH2 4.24Å; R99-W102 HydrophobicContact CG-CH2 4.08Å; R99-W102 HydrophobicContact CG-CZ2 4.17Å
103	D	86.3	Confident	84.2	Confident	111 Å²	111	51.4 Å²	51.4	59%	0.594	28%	0.277	S	S	*	.			trans	-77.7	149.1	171.7	-77.1	-51.1	0	0	0	112	Y97 E98 S101 V105	Y97-D103 WeakPolarHBondContact CA-O 3.38Å; E98-D103 PolarHBondContact N-O 3.1Å; S101-D103 PolarHBondContact O-N 2.83Å; D103-V105 PolarHBondContact O-N 3.42Å
104	Q	86.4	Confident	83.5	Confident	91 Å²	91	50.9 Å²	50.9	43%	0.425	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	98.6	177.2	-166.1	-158.3	-42	0	0	111.2	H95 L96 Y97 G106	H95-Q104 HydrophobicContact CB-CG 4.48Å; H95-Q104 PolarHBondContact ND1-NE2 3.27Å; H95-Q104 PolarHBondContact ND1-OE1 3.15Å; L96-Q104 CarbonylContact O-C 3.58Å; Y97-Q104 HydrophobicContact CD1-CB 4.03Å; Y97-Q104 HydrophobicContact CD1-CG 4.46Å; Y97-Q104 HydrophobicContact CE1-CB 3.74Å; Y97-Q104 HydrophobicContact CE1-CG 4.11Å; Q104-G106 WeakPolarHBondContact CG-O 3.2Å; Q104-G106 PolarHBondContact NE2-O 3.31Å
105	V	85.6	Confident	83.1	Confident	66 Å²	66	55 Å²	55	40%	0.4	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-16.7	-178.9	174.5	0	0	0	0	113.1	L96 E98 D103 R146	L96-V105 PolarHBondContact O-N 2.83Å; E98-V105 HydrophobicContact CB-CG2 3.59Å; D103-V105 PolarHBondContact O-N 3.42Å; V105-R146 PolarHBondContact O-NH2 3.2Å
106	G	82.7	Confident	82.8	Confident	7 Å²	7	55 Å²	55	7%	0.072	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173	-179.4	172.4	0	0	0	0	0	115.6	L96 Q104	L96-G106 PolarHBondContact N-O 3.4Å; L96-G106 PolarHBondContact O-N 3.3Å; Q104-G106 WeakPolarHBondContact CG-O 3.2Å; Q104-G106 PolarHBondContact NE2-O 3.31Å
107	S	86.4	Confident	82.6	Confident	39 Å²	39	55 Å²	55	27%	0.273	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.3	167	58.2	0	0	0	0	109	V94	V94-S107 CarbonylContact O-C 3.52Å; V94-S107 WeakPolarHBondContact O-CA 3.18Å
108	L	85.6	Confident	82.4	Confident	2 Å²	2	55 Å²	55	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.2	169.1	-60.7	168.2	0	0	0	108.3	R93 V94 L96 L129 W141 V143 R146	R93-L108 CarbonylContact C-O 3.48Å; R93-L108 WeakPolarHBondContact CA-O 3.49Å; V94-L108 HydrophobicContact CB-CB 4.48Å; V94-L108 PolarHBondContact N-O 3.38Å; V94-L108 PolarHBondContact O-N 3.06Å; L96-L108 HydrophobicContact CD1-CD1 4.09Å; L96-L108 HydrophobicContact CD1-CG 4.12Å; L108-L129 HydrophobicContact CD1-CB 4.49Å; L108-L129 HydrophobicContact CD1-CD2 3.63Å; L108-W141 HydrophobicContact CB-CD2 4.06Å; L108-W141 HydrophobicContact CB-CG 4.21Å; L108-W141 HydrophobicContact CD1-CB 4.06Å; L108-W141 HydrophobicContact CD1-CD2 4.23Å; L108-W141 HydrophobicContact CD1-CE3 4.38Å; L108-W141 HydrophobicContact CD1-CG 4.13Å; L108-W141 HydrophobicContact CD2-CB 4.17Å; L108-W141 HydrophobicContact CD2-CG 4.12Å; L108-W141 HydrophobicContact CG-CG 4.38Å; L108-V143 HydrophobicContact CD1-CG2 4.2Å; L108-R146 HydrophobicContact CD2-CB 3.97Å; L108-R146 HydrophobicContact CD2-CG 4.16Å
109	S	82.2	Confident	82.3	Confident	58 Å²	58	52.5 Å²	52.5	41%	0.406	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	154.3	-179.1	56.5	0	0	0	0	109.4
110	D	78.9	Confident	82.6	Confident	22 Å²	22	51.1 Å²	51.1	12%	0.118	29%	0.294	C	S	.	.			trans	-136.5	143.6	173.3	-174.8	36	0	0	0	109.7	L112 L113 T139 V148 R151	D110-L112 PolarHBondContact O-N 3.01Å; D110-L113 HydrophobicContact CB-CD1 3.95Å; D110-L113 HydrophobicContact CB-CG 4.22Å; D110-L113 PolarHBondContact O-N 3.29Å; D110-L113 VanDerWaalsContact O-N 3.14Å; D110-T139 HydrophobicContact CB-CG2 4.49Å; D110-V148 HydrophobicContact CB-CG2 4.12Å; D110-R151 IonicContact OD1-CZ 3.12Å; D110-R151 IonicContact OD1-NE 3.05Å; D110-R151 IonicContact OD1-NH2 3.35Å; D110-R151 PolarHBondContact OD1-NH2 3.29Å; D110-R151 IonicContact OD2-CZ 2.73Å; D110-R151 IonicContact OD2-NE 3.54Å; D110-R151 PolarHBondContact OD2-NE 3.34Å; D110-R151 IonicContact OD2-NH2 3.12Å; D110-R151 PolarHBondContact OD2-NH2 3.38Å
111	E	71.4	Confident	83.1	Confident	190 Å²	190	49.3 Å²	49.3	89%	0.888	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.6	-175.6	-62.4	-176.2	162.3	0	0	112.6
112	L	68.7	Low	83.4	Confident	106 Å²	106	47.5 Å²	47.5	56%	0.555	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.8	176.8	-60	173.2	0	0	0	113.6	D110 T114 L137	D110-L112 PolarHBondContact O-N 3.01Å; L112-T114 VanDerWaalsContact C-N 3.31Å; L112-T114 PolarHBondContact O-N 3.09Å; L112-L137 HydrophobicContact CB-CD2 4.21Å; L112-L137 WeakPolarHBondContact O-CD2 3.22Å
113	L	74.5	Confident	83.5	Confident	11 Å²	11	46.9 Å²	46.9	6%	0.058	26%	0.257	C	S	.	.			trans	-79.2	78.6	173.5	-76.4	166	0	0	0	110.4	T92 D110 Q115 V117 A133 L137 W141	T92-L113 VanDerWaalsContact CB-O 3.31Å; T92-L113 WeakPolarHBondContact CB-O 3.24Å; T92-L113 WeakPolarHBondContact CG2-O 3.26Å; D110-L113 HydrophobicContact CB-CD1 3.95Å; D110-L113 HydrophobicContact CB-CG 4.22Å; D110-L113 PolarHBondContact O-N 3.29Å; D110-L113 VanDerWaalsContact O-N 3.14Å; L113-Q115 PolarHBondContact O-N 2.79Å; L113-V117 HydrophobicContact CD1-CG2 4.41Å; L113-V117 HydrophobicContact CD2-CG2 4.45Å; L113-A133 HydrophobicContact CD2-CB 3.82Å; L113-L137 HydrophobicContact CD2-CD2 3.96Å; L113-L137 HydrophobicContact CG-CD2 4.26Å; L113-W141 HydrophobicContact CD1-CH2 3.89Å; L113-W141 HydrophobicContact CD1-CZ2 3.71Å
114	T	72.7	Confident	83.4	Confident	111 Å²	111	44.3 Å²	44.3	68%	0.681	25%	0.246	S	C	*	.			trans	-83.5	5.3	177.6	58.2	0	0	0	0	114	L112	L112-T114 VanDerWaalsContact C-N 3.31Å; L112-T114 PolarHBondContact O-N 3.09Å
115	Q	81.9	Confident	83.1	Confident	87 Å²	87	44 Å²	44	41%	0.407	25%	0.253	S	S	.	.	S	Bend	trans	-141.9	153.9	-173.1	-70.7	-62.7	-63.7	0	0	110.1	L113 V134	L113-Q115 PolarHBondContact O-N 2.79Å; Q115-V134 HydrophobicContact CB-CB 4.27Å; Q115-V134 WeakPolarHBondContact CB-O 3.31Å
116	P	83.8	Confident	82.9	Confident	32 Å²	32	41.1 Å²	41.1	21%	0.208	24%	0.237	C	C	.	.			trans	-66.8	143.9	-175.2	26	-33.9	0	0	0	112.9	E91 A133 V134	E91-P116 CarbonylContact O-C 3.59Å; E91-P116 VanDerWaalsContact O-CA 3.26Å; E91-P116 WeakPolarHBondContact O-CA 3.31Å; P116-A133 WeakPolarHBondContact O-CA 3.28Å; P116-V134 HydrophobicContact CG-CB 4.1Å; P116-V134 HydrophobicContact CG-CG2 3.95Å; P116-V134 PolarHBondContact O-N 3.25Å
117	V	87.3	Confident	83	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.1	175.6	-175.6	0	0	0	0	109	S72 P89 E91 V94 L113 A131	S72-V117 PolarHBondContact OG-O 3.24Å; P89-V117 HydrophobicContact CB-CB 3.84Å; P89-V117 HydrophobicContact CB-CG1 3.56Å; E91-V117 PolarHBondContact O-N 2.9Å; V94-V117 HydrophobicContact CG2-CG1 4.11Å; V94-V117 HydrophobicContact CG2-CG2 4.47Å; L113-V117 HydrophobicContact CD1-CG2 4.41Å; L113-V117 HydrophobicContact CD2-CG2 4.45Å; V117-A131 HydrophobicContact CG1-CB 3.63Å
118	N	87.4	Confident	83	Confident	9 Å²	9	44 Å²	44	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-40	178.9	-97.3	-12.9	0	0	0	112.4	S72 L73 C74 R75 G132 V160	S72-N118 WeakPolarHBondContact CA-OD1 3.48Å; L73-N118 PolarHBondContact N-OD1 2.94Å; C74-N118 PolarHBondContact N-O 2.88Å; R75-N118 PolarHBondContact N-O 3Å; N118-G132 PolarHBondContact N-O 2.97Å; N118-V160 VanDerWaalsContact CB-O 3.31Å; N118-V160 WeakPolarHBondContact CB-O 3.18Å; N118-V160 PolarHBondContact ND2-O 3.14Å
119	V	89.4	Confident	83.2	Confident	4 Å²	4	44 Å²	44	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	133.6	-168.1	48.8	0	0	0	0	111.8	R75 A131 G132 V160 L163	R75-V119 HydrophobicContact CB-CB 3.81Å; R75-V119 HydrophobicContact CB-CG2 3.78Å; R75-V119 HydrophobicContact CG-CB 4.19Å; R75-V119 HydrophobicContact CG-CG2 4.33Å; V119-A131 CarbonylContact O-C 3.56Å; V119-A131 WeakPolarHBondContact O-CA 3.26Å; V119-A131 VanDerWaalsContact O-CB 3.23Å; V119-A131 WeakPolarHBondContact O-CB 3.36Å; V119-G132 PolarHBondContact N-O 2.73Å; V119-G132 PolarHBondContact O-N 2.86Å; V119-V160 HydrophobicContact CG1-CG1 4Å; V119-L163 HydrophobicContact CG1-CD1 3.96Å; V119-L163 HydrophobicContact CG1-CG 4.04Å; V119-L163 HydrophobicContact CG2-CB 4.09Å; V119-L163 HydrophobicContact CG2-CD1 4.41Å; V119-L163 HydrophobicContact CG2-CG 4.41Å
120	A	91.9	Very high	83.6	Confident	5 Å²	5	41.3 Å²	41.3	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144	166.9	0	0	0	0	0	109.9	R75 A77 A87 P89 V94 L129 A130 A131	R75-A120 PolarHBondContact O-N 3.16Å; A77-A120 WeakPolarHBondContact CB-O 3.45Å; A87-A120 HydrophobicContact CB-CB 4.33Å; P89-A120 HydrophobicContact CG-CB 4.43Å; V94-A120 HydrophobicContact CG1-CB 4.16Å; A120-L129 HydrophobicContact CB-CD1 4.34Å; A120-A130 CarbonylContact C-O 3.58Å; A120-A130 WeakPolarHBondContact CA-O 3.26Å; A120-A131 HydrophobicContact CB-CB 4.47Å
121	A	91.6	Very high	84.1	Confident	12 Å²	12	40.5 Å²	40.5	10%	0.099	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	127.6	178.2	0	0	0	0	0	110.7	A130 L163 W165	A121-A130 PolarHBondContact N-O 3.41Å; A121-A130 PolarHBondContact O-N 3.45Å; A121-L163 HydrophobicContact CB-CB 3.81Å; A121-W165 PolarHBondContact O-NE1 2.84Å
122	W	90.7	Very high	84.9	Confident	20 Å²	20	31.4 Å²	31.4	8%	0.076	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.7	178.4	-70	92.9	0	0	0	112.2	A77 Q79 P80 L85 A87 L96 G126 L129 V143	A77-W122 PolarHBondContact O-NE1 2.68Å; Q79-W122 HydrophobicContact CB-CD2 3.98Å; Q79-W122 HydrophobicContact CB-CE3 4.21Å; Q79-W122 HydrophobicContact CB-CH2 4.08Å; Q79-W122 HydrophobicContact CB-CZ2 3.85Å; Q79-W122 HydrophobicContact CB-CZ3 4.25Å; Q79-W122 HydrophobicContact CG-CD2 4.13Å; Q79-W122 HydrophobicContact CG-CE3 3.87Å; Q79-W122 HydrophobicContact CG-CH2 4.08Å; Q79-W122 HydrophobicContact CG-CZ2 4.34Å; Q79-W122 HydrophobicContact CG-CZ3 3.83Å; P80-W122 VanDerWaalsContact CD-CB 3.42Å; P80-W122 HydrophobicContact CG-CB 4.21Å; L85-W122 HydrophobicContact CB-CH2 3.99Å; L85-W122 HydrophobicContact CB-CZ2 3.85Å; L85-W122 HydrophobicContact CD1-CH2 3.97Å; A87-W122 HydrophobicContact CB-CZ2 4.09Å; L96-W122 HydrophobicContact CD2-CH2 4.28Å; L96-W122 HydrophobicContact CD2-CZ2 4.01Å; W122-G126 WeakPolarHBondContact CZ3-O 3.42Å; W122-L129 HydrophobicContact CB-CD1 4.44Å; W122-L129 HydrophobicContact CD2-CD1 3.6Å; W122-L129 HydrophobicContact CE3-CB 4.41Å; W122-L129 HydrophobicContact CE3-CD1 4.19Å; W122-L129 HydrophobicContact CG-CD1 3.68Å; W122-L129 HydrophobicContact CZ2-CD1 4.36Å; W122-V143 HydrophobicContact CE3-CG2 4.46Å; W122-V143 HydrophobicContact CH2-CB 4.42Å; W122-V143 HydrophobicContact CH2-CG1 4.11Å; W122-V143 HydrophobicContact CH2-CG2 3.93Å; W122-V143 HydrophobicContact CZ3-CB 4.17Å; W122-V143 HydrophobicContact CZ3-CG1 4.34Å; W122-V143 HydrophobicContact CZ3-CG2 3.59Å
123	S	87.8	Confident	85.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.			trans	-65.7	149.5	166.8	60.1	0	0	0	0	111.4	P80 C125 G126 F128	P80-S123 VanDerWaalsContact CG-O 3.23Å; P80-S123 WeakPolarHBondContact CG-O 3.41Å; S123-C125 PolarHBondContact O-N 3.47Å; S123-C125 VanDerWaalsContact O-N 3.1Å; S123-C125 PolarHBondContact OG-SG 3.36Å; S123-G126 PolarHBondContact O-N 3.39Å; S123-F128 WeakPolarHBondContact CB-O 3.23Å; S123-F128 PolarHBondContact N-O 3.2Å; S123-F128 WeakPolarHBondContact OG-CA 3.22Å; S123-F128 WeakPolarHBondContact OG-CB 3.2Å; S123-F128 PolarHBondContact OG-N 3.49Å; S123-F128 PolarHBondContact OG-O 3.44Å
124	P	84.1	Confident	86.3	Confident	57 Å²	57	27.5 Å²	27.5	37%	0.37	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.6	179.7	-26.3	34.6	0	0	0	114.2	G126 W165 H166	P124-G126 PolarHBondContact O-N 3.49Å; P124-W165 HydrophobicContact CG-CB 4.47Å; P124-H166 WeakPolarHBondContact CG-O 3.41Å
125	C	80.6	Confident	86.6	Confident	84 Å²	84	23.7 Å²	23.7	57%	0.568	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.1	176.2	73.5	0	0	0	0	114.6	S123 R127	S123-C125 PolarHBondContact O-N 3.47Å; S123-C125 VanDerWaalsContact O-N 3.1Å; S123-C125 PolarHBondContact OG-SG 3.36Å; C125-R127 PolarHBondContact O-N 3.45Å
126	G	81.9	Confident	86.6	Confident	7 Å²	7	19.5 Å²	19.5	7%	0.072	12%	0.119	C	C	.	.	S	Bend	trans	68.3	-2.2	178.3	0	0	0	0	0	116.1	Q79 W122 S123 P124	Q79-G126 PolarHBondContact NE2-O 3.04Å; W122-G126 WeakPolarHBondContact CZ3-O 3.42Å; S123-G126 PolarHBondContact O-N 3.39Å; P124-G126 PolarHBondContact O-N 3.49Å
127	R	84.1	Confident	86.7	Confident	92 Å²	92	19.5 Å²	19.5	35%	0.347	12%	0.117	S	C	.	.	S	Bend	trans	-87.4	-42.8	-177.7	179.6	175.7	175.2	-174.6	-6.5	113.5	C125 D142 V143	C125-R127 PolarHBondContact O-N 3.45Å; R127-D142 VanDerWaalsContact CG-OD1 3.22Å; R127-D142 WeakPolarHBondContact CG-OD1 3.44Å; R127-D142 IonicContact CZ-OD2 3.92Å; R127-D142 VanDerWaalsContact NE-CG 3.34Å; R127-D142 IonicContact NE-OD1 3.74Å; R127-D142 PolarHBondContact NE-OD1 3.25Å; R127-D142 VanDerWaalsContact NE-OD1 3.12Å; R127-D142 IonicContact NE-OD2 3.58Å; R127-D142 PolarHBondContact NE-OD2 2.9Å; R127-D142 VanDerWaalsContact NE-OD2 3.12Å; R127-D142 IonicContact NH2-OD2 2.94Å; R127-D142 PolarHBondContact NH2-OD2 3.45Å; R127-V143 WeakPolarHBondContact O-CB 3.43Å; R127-V143 PolarHBondContact O-N 2.96Å
128	F	87.4	Confident	86.8	Confident	15 Å²	15	19.8 Å²	19.8	7%	0.066	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.1	-177.1	-50.7	-82.5	0	0	0	111.5	S123 I140 W141 D142 V149 W165 I189	S123-F128 WeakPolarHBondContact CB-O 3.23Å; S123-F128 PolarHBondContact N-O 3.2Å; S123-F128 WeakPolarHBondContact OG-CA 3.22Å; S123-F128 WeakPolarHBondContact OG-CB 3.2Å; S123-F128 PolarHBondContact OG-N 3.49Å; S123-F128 PolarHBondContact OG-O 3.44Å; F128-I140 HydrophobicContact CB-CG2 4.23Å; F128-W141 CarbonylContact C-O 3.53Å; F128-W141 VanDerWaalsContact CA-O 3.26Å; F128-W141 WeakPolarHBondContact CA-O 3.4Å; F128-D142 HydrophobicContact CD1-CB 3.89Å; F128-D142 HydrophobicContact CE1-CB 3.82Å; F128-V149 HydrophobicContact CD1-CG2 4.1Å; F128-V149 HydrophobicContact CE1-CG2 4.05Å; F128-W165 HydrophobicContact CB-CH2 3.81Å; F128-W165 HydrophobicContact CB-CZ2 4.05Å; F128-I189 HydrophobicContact CD2-CD1 4.2Å; F128-I189 HydrophobicContact CD2-CG2 4.42Å; F128-I189 HydrophobicContact CE2-CD1 4.22Å; F128-I189 HydrophobicContact CE2-CG1 4.43Å; F128-I189 HydrophobicContact CE2-CG2 3.49Å; F128-I189 VanDerWaalsContact CE2-CG2 3.49Å; F128-I189 HydrophobicContact CZ-CG2 3.91Å
129	L	89.1	Confident	86.8	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126	172.3	-174.8	75.6	0	0	0	108.4	A87 V94 L96 L108 A120 W122 I140 W141 V143	A87-L129 HydrophobicContact CB-CD1 3.96Å; A87-L129 HydrophobicContact CB-CD2 4.06Å; V94-L129 HydrophobicContact CB-CD2 4.4Å; V94-L129 HydrophobicContact CG1-CD2 3.88Å; L96-L129 HydrophobicContact CD2-CD2 4.47Å; L108-L129 HydrophobicContact CD1-CB 4.49Å; L108-L129 HydrophobicContact CD1-CD2 3.63Å; A120-L129 HydrophobicContact CB-CD1 4.34Å; W122-L129 HydrophobicContact CB-CD1 4.44Å; W122-L129 HydrophobicContact CD2-CD1 3.6Å; W122-L129 HydrophobicContact CE3-CB 4.41Å; W122-L129 HydrophobicContact CE3-CD1 4.19Å; W122-L129 HydrophobicContact CG-CD1 3.68Å; W122-L129 HydrophobicContact CZ2-CD1 4.36Å; L129-I140 CarbonylContact O-C 3.59Å; L129-I140 WeakPolarHBondContact O-CA 3.43Å; L129-W141 PolarHBondContact N-O 2.86Å; L129-W141 PolarHBondContact O-N 2.99Å; L129-V143 HydrophobicContact CB-CG2 3.81Å
130	A	89.6	Confident	86.8	Confident	3 Å²	3	19.6 Å²	19.6	3%	0.025	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.8	167.2	0	0	0	0	0	109.4	A120 A121 T139 I140 L163 W165 I172	A120-A130 CarbonylContact C-O 3.58Å; A120-A130 WeakPolarHBondContact CA-O 3.26Å; A121-A130 PolarHBondContact N-O 3.41Å; A121-A130 PolarHBondContact O-N 3.45Å; A130-T139 CarbonylContact C-O 3.6Å; A130-T139 WeakPolarHBondContact CA-O 3.31Å; A130-I140 HydrophobicContact CB-CG1 4.11Å; A130-L163 HydrophobicContact CB-CD1 4.41Å; A130-W165 HydrophobicContact CB-CZ2 3.76Å; A130-I172 HydrophobicContact CB-CD1 3.72Å
131	A	89.8	Confident	86.7	Confident	4 Å²	4	19.5 Å²	19.5	3%	0.033	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.5	163.5	0	0	0	0	0	112.3	V94 V117 V119 A120 L138 T139 W141	V94-A131 HydrophobicContact CG2-CB 4.08Å; V117-A131 HydrophobicContact CG1-CB 3.63Å; V119-A131 CarbonylContact O-C 3.56Å; V119-A131 WeakPolarHBondContact O-CA 3.26Å; V119-A131 VanDerWaalsContact O-CB 3.23Å; V119-A131 WeakPolarHBondContact O-CB 3.36Å; A120-A131 HydrophobicContact CB-CB 4.47Å; A131-L138 WeakPolarHBondContact O-CA 3.48Å; A131-T139 PolarHBondContact N-O 2.94Å; A131-T139 PolarHBondContact O-N 3.3Å; A131-W141 HydrophobicContact CB-CH2 4.01Å; A131-W141 HydrophobicContact CB-CZ3 3.57Å
132	G	89.5	Confident	86.4	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.4	-179.9	0	0	0	0	0	111.4	N118 V119	N118-G132 PolarHBondContact N-O 2.97Å; V119-G132 PolarHBondContact N-O 2.73Å; V119-G132 PolarHBondContact O-N 2.86Å
133	A	88.3	Confident	86	Confident	2 Å²	2	19 Å²	19	2%	0.017	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	160.3	-177.3	0	0	0	0	0	113.6	L113 P116 G136 L137 V160	L113-A133 HydrophobicContact CD2-CB 3.82Å; P116-A133 WeakPolarHBondContact O-CA 3.28Å; A133-G136 PolarHBondContact O-N 3.43Å; A133-L137 HydrophobicContact CB-CB 4.47Å; A133-L137 PolarHBondContact N-O 3.23Å; A133-V160 PolarHBondContact O-N 2.82Å
134	V	83.6	Confident	85.7	Confident	33 Å²	33	25.3 Å²	25.3	20%	0.2	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	135.9	153.7	173.3	0	0	0	0	108	Q115 P116 T159	Q115-V134 HydrophobicContact CB-CB 4.27Å; Q115-V134 WeakPolarHBondContact CB-O 3.31Å; P116-V134 HydrophobicContact CG-CB 4.1Å; P116-V134 HydrophobicContact CG-CG2 3.95Å; P116-V134 PolarHBondContact O-N 3.25Å; V134-T159 HydrophobicContact CB-CG2 4.17Å; V134-T159 HydrophobicContact CG1-CG2 3.78Å; V134-T159 HydrophobicContact CG2-CG2 4.35Å
135	G	78.1	Confident	85.4	Confident	30 Å²	30	25.4 Å²	25.4	31%	0.309	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	5.9	-173.2	0	0	0	0	0	115.7	L137 G157	G135-L137 PolarHBondContact O-N 2.95Å; G135-G157 CarbonylContact C-O 3.55Å; G135-G157 WeakPolarHBondContact CA-O 3.35Å
136	G	81.8	Confident	85.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	79	17.5	163.7	0	0	0	0	0	116	A133 H154 F158	A133-G136 PolarHBondContact O-N 3.43Å; G136-H154 WeakPolarHBondContact O-CB 3.32Å; G136-H154 PolarHBondContact O-N 2.85Å; G136-F158 WeakPolarHBondContact CA-O 3.48Å; G136-F158 PolarHBondContact N-O 3.35Å
137	L	87.1	Confident	85.2	Confident	31 Å²	31	32.8 Å²	32.8	16%	0.162	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.1	171.1	-169.5	64.1	0	0	0	110	L112 L113 A133 G135 K153	L112-L137 HydrophobicContact CB-CD2 4.21Å; L112-L137 WeakPolarHBondContact O-CD2 3.22Å; L113-L137 HydrophobicContact CD2-CD2 3.96Å; L113-L137 HydrophobicContact CG-CD2 4.26Å; A133-L137 HydrophobicContact CB-CB 4.47Å; A133-L137 PolarHBondContact N-O 3.23Å; G135-L137 PolarHBondContact O-N 2.95Å; L137-K153 HydrophobicContact CD1-CB 4.23Å
138	L	88.6	Confident	85.1	Confident	7 Å²	7	30 Å²	30	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.4	169.6	-64.6	173.3	0	0	0	108.5	A131 R151 Q152 V160 L163 Y174	A131-L138 WeakPolarHBondContact O-CA 3.48Å; L138-R151 WeakPolarHBondContact O-CA 3.47Å; L138-Q152 WeakPolarHBondContact CA-O 3.23Å; L138-Q152 HydrophobicContact CB-CB 4.3Å; L138-Q152 WeakPolarHBondContact CB-O 3.48Å; L138-Q152 PolarHBondContact N-O 3.4Å; L138-Q152 PolarHBondContact O-N 2.88Å; L138-Q152 VanDerWaalsContact O-O 3.12Å; L138-V160 HydrophobicContact CD2-CB 4.47Å; L138-V160 HydrophobicContact CD2-CG1 4.15Å; L138-V160 HydrophobicContact CD2-CG2 3.81Å; L138-V160 HydrophobicContact CG-CG2 4.39Å; L138-L163 HydrophobicContact CD2-CD1 4.21Å; L138-L163 HydrophobicContact CD2-CD2 3.7Å; L138-L163 HydrophobicContact CD2-CG 4.42Å; L138-Y174 HydrophobicContact CD1-CD1 3.6Å; L138-Y174 HydrophobicContact CD1-CE1 3.89Å; L138-Y174 HydrophobicContact CD1-CG 4Å
139	T	87.9	Confident	84.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.2	-179.8	-57.1	0	0	0	0	109.8	D110 A130 A131 W141 V148 R151	D110-T139 HydrophobicContact CB-CG2 4.49Å; A130-T139 CarbonylContact C-O 3.6Å; A130-T139 WeakPolarHBondContact CA-O 3.31Å; A131-T139 PolarHBondContact N-O 2.94Å; A131-T139 PolarHBondContact O-N 3.3Å; T139-W141 HydrophobicContact CG2-CD2 4.12Å; T139-W141 HydrophobicContact CG2-CE3 4.36Å; T139-W141 HydrophobicContact CG2-CH2 3.82Å; T139-W141 HydrophobicContact CG2-CZ2 3.54Å; T139-W141 HydrophobicContact CG2-CZ3 4.21Å; T139-V148 HydrophobicContact CG2-CB 4.47Å; T139-V148 HydrophobicContact CG2-CG1 3.77Å; T139-V148 HydrophobicContact CG2-CG2 3.86Å; T139-R151 HydrophobicContact CG2-CG 4.46Å
140	I	89.2	Confident	84.4	Confident	9 Å²	9	35.9 Å²	35.9	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.3	179.8	-55	177.3	0	0	0	108.7	F128 L129 A130 V148 V149 E150 W165 I172 L184 L187	F128-I140 HydrophobicContact CB-CG2 4.23Å; L129-I140 CarbonylContact O-C 3.59Å; L129-I140 WeakPolarHBondContact O-CA 3.43Å; A130-I140 HydrophobicContact CB-CG1 4.11Å; I140-V148 CarbonylContact O-C 3.56Å; I140-V148 WeakPolarHBondContact O-CA 3.42Å; I140-V149 PolarHBondContact O-N 2.8Å; I140-E150 HydrophobicContact CB-CB 4.41Å; I140-E150 HydrophobicContact CD1-CB 4.34Å; I140-E150 PolarHBondContact N-O 2.9Å; I140-E150 PolarHBondContact O-N 2.82Å; I140-W165 HydrophobicContact CD1-CH2 4.39Å; I140-W165 HydrophobicContact CG2-CH2 3.96Å; I140-W165 HydrophobicContact CG2-CZ2 4.15Å; I140-I172 HydrophobicContact CD1-CD1 3.6Å; I140-I172 HydrophobicContact CG1-CD1 4.22Å; I140-L184 HydrophobicContact CD1-CD2 4.11Å; I140-L187 HydrophobicContact CD1-CD1 3.92Å; I140-L187 HydrophobicContact CD1-CD2 3.49Å; I140-L187 VanDerWaalsContact CD1-CD2 3.49Å; I140-L187 HydrophobicContact CD1-CG 4.39Å
141	W	89.4	Confident	84.1	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.3	173.6	-57.6	-97.3	0	0	0	111.4	V94 L108 L113 F128 L129 A131 T139 L147 V148	V94-W141 HydrophobicContact CG2-CH2 4.38Å; V94-W141 HydrophobicContact CG2-CZ3 4.43Å; L108-W141 HydrophobicContact CB-CD2 4.06Å; L108-W141 HydrophobicContact CB-CG 4.21Å; L108-W141 HydrophobicContact CD1-CB 4.06Å; L108-W141 HydrophobicContact CD1-CD2 4.23Å; L108-W141 HydrophobicContact CD1-CE3 4.38Å; L108-W141 HydrophobicContact CD1-CG 4.13Å; L108-W141 HydrophobicContact CD2-CB 4.17Å; L108-W141 HydrophobicContact CD2-CG 4.12Å; L108-W141 HydrophobicContact CG-CG 4.38Å; L113-W141 HydrophobicContact CD1-CH2 3.89Å; L113-W141 HydrophobicContact CD1-CZ2 3.71Å; F128-W141 CarbonylContact C-O 3.53Å; F128-W141 VanDerWaalsContact CA-O 3.26Å; F128-W141 WeakPolarHBondContact CA-O 3.4Å; L129-W141 PolarHBondContact N-O 2.86Å; L129-W141 PolarHBondContact O-N 2.99Å; A131-W141 HydrophobicContact CB-CH2 4.01Å; A131-W141 HydrophobicContact CB-CZ3 3.57Å; T139-W141 HydrophobicContact CG2-CD2 4.12Å; T139-W141 HydrophobicContact CG2-CE3 4.36Å; T139-W141 HydrophobicContact CG2-CH2 3.82Å; T139-W141 HydrophobicContact CG2-CZ2 3.54Å; T139-W141 HydrophobicContact CG2-CZ3 4.21Å; W141-L147 VanDerWaalsContact CA-O 3.25Å; W141-L147 WeakPolarHBondContact CA-O 3.33Å; W141-V148 HydrophobicContact CG-CG2 4.44Å
142	D	85.6	Confident	83.6	Confident	11 Å²	11	44 Å²	44	6%	0.059	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.8	158.4	174	5.6	0	0	0	107.9	R127 F128 N144 S145 R146 L147 V149	R127-D142 VanDerWaalsContact CG-OD1 3.22Å; R127-D142 WeakPolarHBondContact CG-OD1 3.44Å; R127-D142 IonicContact CZ-OD2 3.92Å; R127-D142 VanDerWaalsContact NE-CG 3.34Å; R127-D142 IonicContact NE-OD1 3.74Å; R127-D142 PolarHBondContact NE-OD1 3.25Å; R127-D142 VanDerWaalsContact NE-OD1 3.12Å; R127-D142 IonicContact NE-OD2 3.58Å; R127-D142 PolarHBondContact NE-OD2 2.9Å; R127-D142 VanDerWaalsContact NE-OD2 3.12Å; R127-D142 IonicContact NH2-OD2 2.94Å; R127-D142 PolarHBondContact NH2-OD2 3.45Å; F128-D142 HydrophobicContact CD1-CB 3.89Å; F128-D142 HydrophobicContact CE1-CB 3.82Å; D142-N144 VanDerWaalsContact C-N 3.26Å; D142-N144 PolarHBondContact O-N 2.98Å; D142-N144 PolarHBondContact OD1-N 3.18Å; D142-S145 WeakPolarHBondContact CB-OG 3.25Å; D142-S145 PolarHBondContact O-N 3.04Å; D142-S145 PolarHBondContact O-OG 3.31Å; D142-S145 PolarHBondContact OD2-OG 3.12Å; D142-R146 VanDerWaalsContact O-CA 3.31Å; D142-R146 WeakPolarHBondContact O-CA 3.34Å; D142-R146 PolarHBondContact O-N 3.12Å; D142-L147 PolarHBondContact N-O 3.45Å; D142-V149 HydrophobicContact CB-CG2 3.76Å
143	V	83.4	Confident	83.2	Confident	12 Å²	12	51.1 Å²	51.1	7%	0.073	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.7	-170.5	-180	0	0	0	0	112.2	L85 L96 L108 W122 R127 L129	L85-V143 HydrophobicContact CD1-CG1 4.11Å; L96-V143 HydrophobicContact CD1-CG1 3.66Å; L108-V143 HydrophobicContact CD1-CG2 4.2Å; W122-V143 HydrophobicContact CE3-CG2 4.46Å; W122-V143 HydrophobicContact CH2-CB 4.42Å; W122-V143 HydrophobicContact CH2-CG1 4.11Å; W122-V143 HydrophobicContact CH2-CG2 3.93Å; W122-V143 HydrophobicContact CZ3-CB 4.17Å; W122-V143 HydrophobicContact CZ3-CG1 4.34Å; W122-V143 HydrophobicContact CZ3-CG2 3.59Å; R127-V143 WeakPolarHBondContact O-CB 3.43Å; R127-V143 PolarHBondContact O-N 2.96Å; L129-V143 HydrophobicContact CB-CG2 3.81Å
144	N	81.1	Confident	82.6	Confident	132 Å²	132	52 Å²	52	71%	0.706	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-35	178.9	-70.9	-18.3	0	0	0	112.5	D142	D142-N144 VanDerWaalsContact C-N 3.26Å; D142-N144 PolarHBondContact O-N 2.98Å; D142-N144 PolarHBondContact OD1-N 3.18Å
145	S	77.1	Confident	82	Confident	58 Å²	58	59.2 Å²	59.2	41%	0.406	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-16.1	176.3	60.3	0	0	0	0	113.3	D142 L147	D142-S145 WeakPolarHBondContact CB-OG 3.25Å; D142-S145 PolarHBondContact O-N 3.04Å; D142-S145 PolarHBondContact O-OG 3.31Å; D142-S145 PolarHBondContact OD2-OG 3.12Å; S145-L147 PolarHBondContact O-N 3.21Å
146	R	79.4	Confident	81.7	Confident	128 Å²	128	64.4 Å²	64.4	48%	0.483	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	15.3	-170.7	-55.7	-177.2	179.1	-165.6	-4.2	114.1	V105 L108 D142	V105-R146 PolarHBondContact O-NH2 3.2Å; L108-R146 HydrophobicContact CD2-CB 3.97Å; L108-R146 HydrophobicContact CD2-CG 4.16Å; D142-R146 VanDerWaalsContact O-CA 3.31Å; D142-R146 WeakPolarHBondContact O-CA 3.34Å; D142-R146 PolarHBondContact O-N 3.12Å
147	L	79.3	Confident	81.3	Confident	118 Å²	118	65.5 Å²	65.5	62%	0.618	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	146.2	179.5	-62.6	178.4	0	0	0	111.4	W141 D142 S145 V149	W141-L147 VanDerWaalsContact CA-O 3.25Å; W141-L147 WeakPolarHBondContact CA-O 3.33Å; D142-L147 PolarHBondContact N-O 3.45Å; S145-L147 PolarHBondContact O-N 3.21Å; L147-V149 PolarHBondContact O-N 3.23Å
148	V	82.9	Confident	81.2	Confident	34 Å²	34	67.7 Å²	67.7	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	119.9	166.7	178.8	0	0	0	0	108.6	D110 T139 I140 W141 E150 R151	D110-V148 HydrophobicContact CB-CG2 4.12Å; T139-V148 HydrophobicContact CG2-CB 4.47Å; T139-V148 HydrophobicContact CG2-CG1 3.77Å; T139-V148 HydrophobicContact CG2-CG2 3.86Å; I140-V148 CarbonylContact O-C 3.56Å; I140-V148 WeakPolarHBondContact O-CA 3.42Å; W141-V148 HydrophobicContact CG-CG2 4.44Å; V148-E150 WeakPolarHBondContact CG1-O 3.21Å; V148-R151 HydrophobicContact CG1-CG 3.6Å
149	V	81.1	Confident	80.9	Confident	83 Å²	83	69.1 Å²	69.1	50%	0.503	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-46.1	174	178.8	0	0	0	0	109.9	F128 I140 D142 L147	F128-V149 HydrophobicContact CD1-CG2 4.1Å; F128-V149 HydrophobicContact CE1-CG2 4.05Å; I140-V149 PolarHBondContact O-N 2.8Å; D142-V149 HydrophobicContact CB-CG2 3.76Å; L147-V149 PolarHBondContact O-N 3.23Å
150	E	79.2	Confident	80.9	Confident	55 Å²	55	69.1 Å²	69.1	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.6	-173.9	-157.1	170.8	133.1	0	0	112.3	I140 V148 L187	I140-E150 HydrophobicContact CB-CB 4.41Å; I140-E150 HydrophobicContact CD1-CB 4.34Å; I140-E150 PolarHBondContact N-O 2.9Å; I140-E150 PolarHBondContact O-N 2.82Å; V148-E150 WeakPolarHBondContact CG1-O 3.21Å; E150-L187 VanDerWaalsContact OE2-CD2 3.26Å; E150-L187 WeakPolarHBondContact OE2-CD2 3.44Å
151	R	83.4	Confident	80.8	Confident	120 Å²	120	70 Å²	70	45%	0.453	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.4	175.4	-60.1	178.8	-178.8	88.1	-8	108.7	D110 L138 T139 V148	D110-R151 IonicContact OD1-CZ 3.12Å; D110-R151 IonicContact OD1-NE 3.05Å; D110-R151 IonicContact OD1-NH2 3.35Å; D110-R151 PolarHBondContact OD1-NH2 3.29Å; D110-R151 IonicContact OD2-CZ 2.73Å; D110-R151 IonicContact OD2-NE 3.54Å; D110-R151 PolarHBondContact OD2-NE 3.34Å; D110-R151 IonicContact OD2-NH2 3.12Å; D110-R151 PolarHBondContact OD2-NH2 3.38Å; L138-R151 WeakPolarHBondContact O-CA 3.47Å; T139-R151 HydrophobicContact CG2-CG 4.46Å; V148-R151 HydrophobicContact CG1-CG 3.6Å
152	Q	80.5	Confident	80.6	Confident	58 Å²	58	71.6 Å²	71.6	27%	0.271	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.4	170.8	-165.1	-168.8	33.4	0	0	108.5	L138 L184	L138-Q152 WeakPolarHBondContact CA-O 3.23Å; L138-Q152 HydrophobicContact CB-CB 4.3Å; L138-Q152 WeakPolarHBondContact CB-O 3.48Å; L138-Q152 PolarHBondContact N-O 3.4Å; L138-Q152 PolarHBondContact O-N 2.88Å; L138-Q152 VanDerWaalsContact O-O 3.12Å; Q152-L184 HydrophobicContact CB-CD2 4.28Å
153	K	79.3	Confident	80.8	Confident	149 Å²	149	71.9 Å²	71.9	65%	0.648	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.4	172	-172.3	-179.3	176.9	-178.1	0	109.4	L137 E155	L137-K153 HydrophobicContact CD1-CB 4.23Å; K153-E155 PolarHBondContact O-N 2.78Å
154	H	76.7	Confident	81.1	Confident	20 Å²	20	73.9 Å²	73.9	9%	0.093	38%	0.376	C	S	.	.			trans	-61	130.6	173.3	-168.1	-139.8	0	0	0	110.3	G136 K156 G157 Y174 D176	G136-H154 WeakPolarHBondContact O-CB 3.32Å; G136-H154 PolarHBondContact O-N 2.85Å; H154-K156 PolarHBondContact O-N 2.93Å; H154-K156 VanDerWaalsContact O-N 3.08Å; H154-G157 PolarHBondContact O-N 3.5Å; H154-Y174 AromaticContact CD2-CE2 3.66Å; H154-Y174 AromaticContact CD2-CZ 3.89Å; H154-Y174 PolarHBondContact CD2-OH 3.03Å; H154-Y174 AromaticContact NE2-CE2 3.93Å; H154-D176 IonicContact CE1-OD2 2.61Å; H154-D176 PolarHBondContact CE1-OD2 3.43Å; H154-D176 VanDerWaalsContact CE1-OD2 3.26Å
155	E	71.4	Confident	81.5	Confident	186 Å²	186	68.9 Å²	68.9	87%	0.869	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-38	-172.1	-59.4	-174.7	153.3	0	0	113.1	K153	K153-E155 PolarHBondContact O-N 2.78Å
156	K	70.6	Confident	81.8	Confident	139 Å²	139	70.3 Å²	70.3	60%	0.604	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-2.1	-177.9	-60.5	175.3	-172.6	168.2	0	113.7	H154 F158	H154-K156 PolarHBondContact O-N 2.93Å; H154-K156 VanDerWaalsContact O-N 3.08Å; K156-F158 HydrophobicContact CB-CD2 3.72Å; K156-F158 HydrophobicContact CB-CE2 3.64Å; K156-F158 HydrophobicContact CB-CG 4.33Å; K156-F158 HydrophobicContact CB-CZ 4.17Å; K156-F158 HydrophobicContact CD-CD2 4.22Å; K156-F158 HydrophobicContact CD-CE2 3.59Å; K156-F158 HydrophobicContact CD-CZ 4.37Å; K156-F158 HydrophobicContact CG-CE2 4.25Å; K156-F158 PolarHBondContact O-N 2.72Å
157	G	74.3	Confident	81.8	Confident	23 Å²	23	69.4 Å²	69.4	24%	0.237	36%	0.358	C	S	.	.			trans	67.2	10.3	179.5	0	0	0	0	0	116.1	G135 H154	G135-G157 CarbonylContact C-O 3.55Å; G135-G157 WeakPolarHBondContact CA-O 3.35Å; H154-G157 PolarHBondContact O-N 3.5Å
158	F	83.8	Confident	81.6	Confident	76 Å²	76	67.4 Å²	67.4	33%	0.333	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-61.8	150.5	177.2	-61.9	-46.7	0	0	0	112.7	G136 K156 V160 D176 E178	G136-F158 WeakPolarHBondContact CA-O 3.48Å; G136-F158 PolarHBondContact N-O 3.35Å; K156-F158 HydrophobicContact CB-CD2 3.72Å; K156-F158 HydrophobicContact CB-CE2 3.64Å; K156-F158 HydrophobicContact CB-CG 4.33Å; K156-F158 HydrophobicContact CB-CZ 4.17Å; K156-F158 HydrophobicContact CD-CD2 4.22Å; K156-F158 HydrophobicContact CD-CE2 3.59Å; K156-F158 HydrophobicContact CD-CZ 4.37Å; K156-F158 HydrophobicContact CG-CE2 4.25Å; K156-F158 PolarHBondContact O-N 2.72Å; F158-V160 PolarHBondContact O-N 2.92Å; F158-D176 HydrophobicContact CB-CB 3.93Å; F158-D176 WeakPolarHBondContact CD2-OD2 3.36Å; F158-E178 HydrophobicContact CD1-CG 4.39Å; F158-E178 HydrophobicContact CD2-CG 4.04Å; F158-E178 HydrophobicContact CE1-CG 4.34Å; F158-E178 HydrophobicContact CE2-CG 3.97Å; F158-E178 HydrophobicContact CG-CG 4.26Å; F158-E178 HydrophobicContact CZ-CG 4.13Å
159	T	84	Confident	80.8	Confident	38 Å²	38	66.2 Å²	66.2	23%	0.233	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.2	127.8	-174.7	59.2	0	0	0	0	111.4	V134 D176 T177	V134-T159 HydrophobicContact CB-CG2 4.17Å; V134-T159 HydrophobicContact CG1-CG2 3.78Å; V134-T159 HydrophobicContact CG2-CG2 4.35Å; T159-D176 WeakPolarHBondContact O-CA 3.42Å; T159-T177 PolarHBondContact O-N 2.86Å; T159-T177 WeakPolarHBondContact OG1-CG2 3.41Å; T159-T177 PolarHBondContact OG1-OG1 3.13Å
160	V	87	Confident	80.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.7	176.9	-177.6	0	0	0	0	109.2	N118 V119 A133 L138 F158 L163	N118-V160 VanDerWaalsContact CB-O 3.31Å; N118-V160 WeakPolarHBondContact CB-O 3.18Å; N118-V160 PolarHBondContact ND2-O 3.14Å; V119-V160 HydrophobicContact CG1-CG1 4Å; A133-V160 PolarHBondContact O-N 2.82Å; L138-V160 HydrophobicContact CD2-CB 4.47Å; L138-V160 HydrophobicContact CD2-CG1 4.15Å; L138-V160 HydrophobicContact CD2-CG2 3.81Å; L138-V160 HydrophobicContact CG-CG2 4.39Å; F158-V160 PolarHBondContact O-N 2.92Å; V160-L163 HydrophobicContact CG1-CD2 4.3Å; V160-L163 HydrophobicContact CG1-CG 4.11Å
161	C	86.5	Confident	80.6	Confident	27 Å²	27	64.6 Å²	64.6	18%	0.182	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-21.5	-176.8	74.7	0	0	0	0	113.4	L73 T175 D176 T177	L73-C161 HydrophobicContact CD1-CB 4.3Å; C161-T175 PolarHBondContact N-O 2.97Å; C161-T175 PolarHBondContact SG-O 3.04Å; C161-T175 VanDerWaalsContact SG-O 3.32Å; C161-T175 PolarHBondContact SG-OG1 3.47Å; C161-D176 PolarHBondContact SG-O 3.13Å; C161-T177 HydrophobicContact CB-CG2 4.47Å
162	S	85.9	Confident	80.8	Confident	36 Å²	36	59 Å²	59	25%	0.252	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	153.4	175.1	-147.2	0	0	0	0	111.8	R75 Y174 T175	R75-S162 PolarHBondContact NH1-OG 2.97Å; S162-Y174 WeakPolarHBondContact O-CA 3.36Å; S162-T175 VanDerWaalsContact CB-OG1 3.3Å; S162-T175 WeakPolarHBondContact CB-OG1 3.34Å; S162-T175 PolarHBondContact O-N 3.37Å; S162-T175 VanDerWaalsContact O-N 3.12Å
163	L	90.3	Very high	81.2	Confident	17 Å²	17	58 Å²	58	9%	0.089	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.4	174.5	-76.4	169.8	0	0	0	109.8	V119 A121 A130 L138 V160 I172 Y174	V119-L163 HydrophobicContact CG1-CD1 3.96Å; V119-L163 HydrophobicContact CG1-CG 4.04Å; V119-L163 HydrophobicContact CG2-CB 4.09Å; V119-L163 HydrophobicContact CG2-CD1 4.41Å; V119-L163 HydrophobicContact CG2-CG 4.41Å; A121-L163 HydrophobicContact CB-CB 3.81Å; A130-L163 HydrophobicContact CB-CD1 4.41Å; L138-L163 HydrophobicContact CD2-CD1 4.21Å; L138-L163 HydrophobicContact CD2-CD2 3.7Å; L138-L163 HydrophobicContact CD2-CG 4.42Å; V160-L163 HydrophobicContact CG1-CD2 4.3Å; V160-L163 HydrophobicContact CG1-CG 4.11Å; L163-I172 HydrophobicContact CD2-CG2 3.7Å; L163-Y174 VanDerWaalsContact CD2-CB 3.5Å
164	A	89.9	Confident	81.7	Confident	55 Å²	55	51.9 Å²	51.9	46%	0.455	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	127.5	172.2	0	0	0	0	0	110.3	I172 A173	A164-I172 WeakPolarHBondContact O-CA 3.35Å; A164-A173 PolarHBondContact N-O 3.21Å; A164-A173 PolarHBondContact O-N 3.46Å
165	W	88	Confident	82.3	Confident	27 Å²	27	52.9 Å²	52.9	10%	0.102	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.2	169.9	-70.5	81.2	0	0	0	110.1	A121 P124 F128 A130 I140 G169 I172 L187 I189	A121-W165 PolarHBondContact O-NE1 2.84Å; P124-W165 HydrophobicContact CG-CB 4.47Å; F128-W165 HydrophobicContact CB-CH2 3.81Å; F128-W165 HydrophobicContact CB-CZ2 4.05Å; A130-W165 HydrophobicContact CB-CZ2 3.76Å; I140-W165 HydrophobicContact CD1-CH2 4.39Å; I140-W165 HydrophobicContact CG2-CH2 3.96Å; I140-W165 HydrophobicContact CG2-CZ2 4.15Å; W165-G169 WeakPolarHBondContact CZ3-O 3.47Å; W165-I172 HydrophobicContact CD2-CD1 3.85Å; W165-I172 HydrophobicContact CD2-CG1 3.56Å; W165-I172 HydrophobicContact CE3-CD1 3.99Å; W165-I172 HydrophobicContact CE3-CG1 3.61Å; W165-I172 HydrophobicContact CG-CG1 4.04Å; W165-I172 HydrophobicContact CH2-CD1 3.85Å; W165-I172 HydrophobicContact CH2-CG1 4.4Å; W165-I172 HydrophobicContact CZ2-CD1 3.7Å; W165-I172 HydrophobicContact CZ2-CG1 4.35Å; W165-I172 HydrophobicContact CZ3-CD1 3.98Å; W165-I172 HydrophobicContact CZ3-CG1 4.04Å; W165-L187 HydrophobicContact CE3-CD1 4.27Å; W165-L187 HydrophobicContact CH2-CD1 4.1Å; W165-L187 HydrophobicContact CZ3-CD1 3.59Å; W165-I189 HydrophobicContact CZ3-CD1 4.18Å
166	H	84.1	Confident	83	Confident	88 Å²	88	44.3 Å²	44.3	41%	0.407	26%	0.262	S	S	.	.			trans	-66.5	144.3	169	-173.5	-104.5	0	0	0	110.2	P124 S168 G169 Q171	P124-H166 WeakPolarHBondContact CG-O 3.41Å; H166-S168 PolarHBondContact ND1-N 2.96Å; H166-S168 PolarHBondContact ND1-OG 2.83Å; H166-S168 PolarHBondContact O-N 3.06Å; H166-S168 VanDerWaalsContact O-N 3.08Å; H166-G169 WeakPolarHBondContact O-CA 3.36Å; H166-G169 PolarHBondContact O-N 3.41Å; H166-Q171 HydrophobicContact CB-CB 3.9Å; H166-Q171 PolarHBondContact N-O 3.17Å
167	P	79.7	Confident	83.6	Confident	109 Å²	109	41.4 Å²	41.4	71%	0.708	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.1	-176.9	-29.9	37.8	0	0	0	116.1	G169	P167-G169 VanDerWaalsContact C-N 3.25Å; P167-G169 PolarHBondContact O-N 3.01Å
168	S	75.6	Confident	83.9	Confident	75 Å²	75	46.6 Å²	46.6	52%	0.524	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.6	171.8	65	0	0	0	0	114.4	H166 S170	H166-S168 PolarHBondContact ND1-N 2.96Å; H166-S168 PolarHBondContact ND1-OG 2.83Å; H166-S168 PolarHBondContact O-N 3.06Å; H166-S168 VanDerWaalsContact O-N 3.08Å; S168-S170 PolarHBondContact O-N 3.46Å; S168-S170 PolarHBondContact OG-OG 2.97Å
169	G	66.6	Low	83.7	Confident	9 Å²	9	46.2 Å²	46.2	9%	0.093	29%	0.292	C	S	.	.	S	Bend	trans	76.5	-10.8	-177	0	0	0	0	0	116	W165 H166 P167 Q171 I189	W165-G169 WeakPolarHBondContact CZ3-O 3.47Å; H166-G169 WeakPolarHBondContact O-CA 3.36Å; H166-G169 PolarHBondContact O-N 3.41Å; P167-G169 VanDerWaalsContact C-N 3.25Å; P167-G169 PolarHBondContact O-N 3.01Å; G169-Q171 PolarHBondContact O-N 3.35Å; G169-I189 VanDerWaalsContact O-CD1 3.27Å; G169-I189 WeakPolarHBondContact O-CD1 3.48Å
170	S	70.7	Confident	83.6	Confident	53 Å²	53	47 Å²	47	37%	0.371	30%	0.299	S	S	.	.	S	Bend	trans	-81	-7.9	-171.4	55.9	0	0	0	0	115.9	S168	S168-S170 PolarHBondContact O-N 3.46Å; S168-S170 PolarHBondContact OG-OG 2.97Å
171	Q	84.3	Confident	83.5	Confident	51 Å²	51	53.1 Å²	53.1	24%	0.238	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.4	-173.5	-71	177.4	-23.1	0	0	111.2	H166 G169 L183 L184 D185	H166-Q171 HydrophobicContact CB-CB 3.9Å; H166-Q171 PolarHBondContact N-O 3.17Å; G169-Q171 PolarHBondContact O-N 3.35Å; Q171-L183 HydrophobicContact CB-CD2 4.49Å; Q171-L183 HydrophobicContact CG-CD2 4.24Å; Q171-L184 WeakPolarHBondContact CA-O 3.49Å; Q171-D185 VanDerWaalsContact CG-OD1 3.3Å; Q171-D185 WeakPolarHBondContact CG-OD1 3.47Å; Q171-D185 PolarHBondContact NE2-OD1 3.15Å; Q171-D185 PolarHBondContact NE2-OD2 2.87Å
172	I	87.6	Confident	83.3	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.3	169.4	-64.3	169.3	0	0	0	109.5	A130 I140 L163 A164 W165 L183 L184 L187	A130-I172 HydrophobicContact CB-CD1 3.72Å; I140-I172 HydrophobicContact CD1-CD1 3.6Å; I140-I172 HydrophobicContact CG1-CD1 4.22Å; L163-I172 HydrophobicContact CD2-CG2 3.7Å; A164-I172 WeakPolarHBondContact O-CA 3.35Å; W165-I172 HydrophobicContact CD2-CD1 3.85Å; W165-I172 HydrophobicContact CD2-CG1 3.56Å; W165-I172 HydrophobicContact CE3-CD1 3.99Å; W165-I172 HydrophobicContact CE3-CG1 3.61Å; W165-I172 HydrophobicContact CG-CG1 4.04Å; W165-I172 HydrophobicContact CH2-CD1 3.85Å; W165-I172 HydrophobicContact CH2-CG1 4.4Å; W165-I172 HydrophobicContact CZ2-CD1 3.7Å; W165-I172 HydrophobicContact CZ2-CG1 4.35Å; W165-I172 HydrophobicContact CZ3-CD1 3.98Å; W165-I172 HydrophobicContact CZ3-CG1 4.04Å; I172-L183 WeakPolarHBondContact O-CA 3.48Å; I172-L184 HydrophobicContact CB-CB 4.37Å; I172-L184 PolarHBondContact N-O 2.99Å; I172-L184 VanDerWaalsContact N-O 3.17Å; I172-L184 PolarHBondContact O-N 2.85Å; I172-L187 HydrophobicContact CD1-CD1 3.74Å; I172-L187 HydrophobicContact CG1-CD1 3.8Å
173	A	89.5	Confident	83.3	Confident	35 Å²	35	54.8 Å²	54.8	29%	0.289	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.5	163.8	0	0	0	0	0	109.9	A164 G182	A164-A173 PolarHBondContact N-O 3.21Å; A164-A173 PolarHBondContact O-N 3.46Å; A173-G182 WeakPolarHBondContact CA-O 3.27Å
174	Y	89.3	Confident	82.8	Confident	22 Å²	22	54.4 Å²	54.4	9%	0.086	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.2	175.1	68.8	-98.4	0	0	0	111.1	L138 H154 S162 L163 L181 G182	L138-Y174 HydrophobicContact CD1-CD1 3.6Å; L138-Y174 HydrophobicContact CD1-CE1 3.89Å; L138-Y174 HydrophobicContact CD1-CG 4Å; H154-Y174 AromaticContact CD2-CE2 3.66Å; H154-Y174 AromaticContact CD2-CZ 3.89Å; H154-Y174 PolarHBondContact CD2-OH 3.03Å; H154-Y174 AromaticContact NE2-CE2 3.93Å; S162-Y174 WeakPolarHBondContact O-CA 3.36Å; L163-Y174 VanDerWaalsContact CD2-CB 3.5Å; Y174-L181 WeakPolarHBondContact O-CA 3.37Å; Y174-G182 PolarHBondContact N-O 2.67Å; Y174-G182 PolarHBondContact O-N 3.1Å
175	T	89.2	Confident	81.9	Confident	41 Å²	41	56.7 Å²	56.7	25%	0.252	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.3	174.2	56	0	0	0	0	110.9	C161 S162 C180 L181	C161-T175 PolarHBondContact N-O 2.97Å; C161-T175 PolarHBondContact SG-O 3.04Å; C161-T175 VanDerWaalsContact SG-O 3.32Å; C161-T175 PolarHBondContact SG-OG1 3.47Å; S162-T175 VanDerWaalsContact CB-OG1 3.3Å; S162-T175 WeakPolarHBondContact CB-OG1 3.34Å; S162-T175 PolarHBondContact O-N 3.37Å; S162-T175 VanDerWaalsContact O-N 3.12Å; T175-C180 WeakPolarHBondContact CA-O 2.97Å; T175-L181 HydrophobicContact CG2-CB 4.28Å; T175-L181 HydrophobicContact CG2-CD1 4.17Å; T175-L181 HydrophobicContact CG2-CG 4.31Å
176	D	86.3	Confident	80.5	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.027	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-175.4	172.6	75.1	11.7	0	0	0	112.7	H154 F158 T159 C161 E178 G179 C180	H154-D176 IonicContact CE1-OD2 2.61Å; H154-D176 PolarHBondContact CE1-OD2 3.43Å; H154-D176 VanDerWaalsContact CE1-OD2 3.26Å; F158-D176 HydrophobicContact CB-CB 3.93Å; F158-D176 WeakPolarHBondContact CD2-OD2 3.36Å; T159-D176 WeakPolarHBondContact O-CA 3.42Å; C161-D176 PolarHBondContact SG-O 3.13Å; D176-E178 WeakPolarHBondContact OD1-CA 3.24Å; D176-E178 PolarHBondContact OD1-N 3.08Å; D176-G179 PolarHBondContact OD1-N 3Å; D176-G179 VanDerWaalsContact OD1-N 3.08Å; D176-C180 PolarHBondContact N-O 3.11Å; D176-C180 VanDerWaalsContact N-O 3.09Å; D176-C180 PolarHBondContact OD1-N 2.82Å; D176-C180 WeakPolarHBondContact OD2-CB 3.47Å
177	T	82.9	Confident	79.3	Confident	79 Å²	79	54.3 Å²	54.3	49%	0.485	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-17	177.8	41.8	0	0	0	0	114.9	T159 C161 G179	T159-T177 PolarHBondContact O-N 2.86Å; T159-T177 WeakPolarHBondContact OG1-CG2 3.41Å; T159-T177 PolarHBondContact OG1-OG1 3.13Å; C161-T177 HydrophobicContact CB-CG2 4.47Å; T177-G179 VanDerWaalsContact C-N 3.26Å
178	E	81.4	Confident	77.6	Confident	131 Å²	131	54.2 Å²	54.2	61%	0.612	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	1.2	177.3	-57.2	-56.7	125.6	0	0	111.9	F158 D176	F158-E178 HydrophobicContact CD1-CG 4.39Å; F158-E178 HydrophobicContact CD2-CG 4.04Å; F158-E178 HydrophobicContact CE1-CG 4.34Å; F158-E178 HydrophobicContact CE2-CG 3.97Å; F158-E178 HydrophobicContact CG-CG 4.26Å; F158-E178 HydrophobicContact CZ-CG 4.13Å; D176-E178 WeakPolarHBondContact OD1-CA 3.24Å; D176-E178 PolarHBondContact OD1-N 3.08Å
179	G	78.6	Confident	76.5	Confident	68 Å²	68	54.3 Å²	54.3	70%	0.701	34%	0.34	S	S	*	.	S	Bend	trans	82.6	11.8	-179	0	0	0	0	0	114	D176 T177	D176-G179 PolarHBondContact OD1-N 3Å; D176-G179 VanDerWaalsContact OD1-N 3.08Å; T177-G179 VanDerWaalsContact C-N 3.26Å
180	C	81.9	Confident	75.1	Confident	56 Å²	56	59.4 Å²	59.4	38%	0.378	37%	0.374	S	S	.	.			trans	-75.5	131.1	172.7	-62.1	0	0	0	0	109.8	T175 D176	T175-C180 WeakPolarHBondContact CA-O 2.97Å; D176-C180 PolarHBondContact N-O 3.11Å; D176-C180 VanDerWaalsContact N-O 3.09Å; D176-C180 PolarHBondContact OD1-N 2.82Å; D176-C180 WeakPolarHBondContact OD2-CB 3.47Å
181	L	85.2	Confident	73.4	Confident	128 Å²	128	59.3 Å²	59.3	67%	0.67	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.7	169.6	-177.6	144.9	0	0	0	109.1	Y174 T175	Y174-L181 WeakPolarHBondContact O-CA 3.37Å; T175-L181 HydrophobicContact CG2-CB 4.28Å; T175-L181 HydrophobicContact CG2-CD1 4.17Å; T175-L181 HydrophobicContact CG2-CG 4.31Å
182	G	82.7	Confident	71.1	Confident	13 Å²	13	63.8 Å²	63.8	13%	0.134	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	159.5	174.3	0	0	0	0	0	111.6	A173 Y174	A173-G182 WeakPolarHBondContact CA-O 3.27Å; Y174-G182 PolarHBondContact N-O 2.67Å; Y174-G182 PolarHBondContact O-N 3.1Å
183	L	85.6	Confident	68.5	Low	84 Å²	84	67.3 Å²	67.3	44%	0.44	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.7	-179.8	-167.8	152.7	0	0	0	109.1	Q171 I172 D185	Q171-L183 HydrophobicContact CB-CD2 4.49Å; Q171-L183 HydrophobicContact CG-CD2 4.24Å; I172-L183 WeakPolarHBondContact O-CA 3.48Å; L183-D185 HydrophobicContact CD2-CB 3.94Å; L183-D185 WeakPolarHBondContact CD2-OD2 3.38Å
184	L	80.4	Confident	65.8	Low	9 Å²	9	72.9 Å²	72.9	5%	0.047	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.7	172.2	173.1	50	0	0	0	108.7	I140 Q152 Q171 I172 L187	I140-L184 HydrophobicContact CD1-CD2 4.11Å; Q152-L184 HydrophobicContact CB-CD2 4.28Å; Q171-L184 WeakPolarHBondContact CA-O 3.49Å; I172-L184 HydrophobicContact CB-CB 4.37Å; I172-L184 PolarHBondContact N-O 2.99Å; I172-L184 VanDerWaalsContact N-O 3.17Å; I172-L184 PolarHBondContact O-N 2.85Å; L184-L187 HydrophobicContact CD1-CD2 4.38Å; L184-L187 HydrophobicContact CD2-CD2 3.91Å; L184-L187 HydrophobicContact CG-CD2 3.9Å; L184-L187 HydrophobicContact CG-CG 4.35Å
185	D	69.8	Low	63	Low	103 Å²	103	75.7 Å²	75.7	55%	0.551	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	151.7	175	-113.3	-40	0	0	0	110.3	Q171 L183	Q171-D185 VanDerWaalsContact CG-OD1 3.3Å; Q171-D185 WeakPolarHBondContact CG-OD1 3.47Å; Q171-D185 PolarHBondContact NE2-OD1 3.15Å; Q171-D185 PolarHBondContact NE2-OD2 2.87Å; L183-D185 HydrophobicContact CD2-CB 3.94Å; L183-D185 WeakPolarHBondContact CD2-OD2 3.38Å
186	G	58.4	Low	60.2	Low	51 Å²	51	79.6 Å²	79.6	53%	0.526	55%	0.545	S	S	.	.			trans	100.6	4.9	173.2	0	0	0	0	0	116.3	S188	G186-S188 PolarHBondContact O-N 3.12Å; G186-S188 PolarHBondContact O-OG 3.12Å
187	L	60.8	Low	57.4	Low	15 Å²	15	85.8 Å²	85.8	8%	0.079	58%	0.583	C	S	.	*			trans	-56.7	100.8	175.1	-59.2	-173.4	0	0	0	110.3	I140 E150 W165 I172 L184 I189	I140-L187 HydrophobicContact CD1-CD1 3.92Å; I140-L187 HydrophobicContact CD1-CD2 3.49Å; I140-L187 VanDerWaalsContact CD1-CD2 3.49Å; I140-L187 HydrophobicContact CD1-CG 4.39Å; E150-L187 VanDerWaalsContact OE2-CD2 3.26Å; E150-L187 WeakPolarHBondContact OE2-CD2 3.44Å; W165-L187 HydrophobicContact CE3-CD1 4.27Å; W165-L187 HydrophobicContact CH2-CD1 4.1Å; W165-L187 HydrophobicContact CZ3-CD1 3.59Å; I172-L187 HydrophobicContact CD1-CD1 3.74Å; I172-L187 HydrophobicContact CG1-CD1 3.8Å; L184-L187 HydrophobicContact CD1-CD2 4.38Å; L184-L187 HydrophobicContact CD2-CD2 3.91Å; L184-L187 HydrophobicContact CG-CD2 3.9Å; L184-L187 HydrophobicContact CG-CG 4.35Å; L187-I189 VanDerWaalsContact C-N 3.25Å; L187-I189 HydrophobicContact CB-CD1 4.48Å; L187-I189 HydrophobicContact CB-CG1 4.31Å; L187-I189 PolarHBondContact O-N 3.11Å
188	S	43.5	Very low	54.9	Low	107 Å²	107	89 Å²	89	75%	0.748	60%	0.603	S	S	*	*			trans	-83.9	65.7	-167	-67.7	0	0	0	0	111.6	G186 S190	G186-S188 PolarHBondContact O-N 3.12Å; G186-S188 PolarHBondContact O-OG 3.12Å; S188-S190 PolarHBondContact O-N 3.42Å
189	I	53	Low	52.2	Low	77 Å²	77	87.5 Å²	87.5	40%	0.395	61%	0.613	S	S	.	*			trans	-78.2	59.1	-177.2	-48.3	-179.9	0	0	0	110.9	F128 W165 G169 L187	F128-I189 HydrophobicContact CD2-CD1 4.2Å; F128-I189 HydrophobicContact CD2-CG2 4.42Å; F128-I189 HydrophobicContact CE2-CD1 4.22Å; F128-I189 HydrophobicContact CE2-CG1 4.43Å; F128-I189 HydrophobicContact CE2-CG2 3.49Å; F128-I189 VanDerWaalsContact CE2-CG2 3.49Å; F128-I189 HydrophobicContact CZ-CG2 3.91Å; W165-I189 HydrophobicContact CZ3-CD1 4.18Å; G169-I189 VanDerWaalsContact O-CD1 3.27Å; G169-I189 WeakPolarHBondContact O-CD1 3.48Å; L187-I189 VanDerWaalsContact C-N 3.25Å; L187-I189 HydrophobicContact CB-CD1 4.48Å; L187-I189 HydrophobicContact CB-CG1 4.31Å; L187-I189 PolarHBondContact O-N 3.11Å
190	S	37.2	Very low	50.5	Low	115 Å²	115	90.3 Å²	90.3	80%	0.804	62%	0.619	S	S	*	*			trans	-90.9	111.6	165.5	53.1	0	0	0	0	109	S188	S188-S190 PolarHBondContact O-N 3.42Å
191	G	34.3	Very low	47.9	Very low	51 Å²	51	92.7 Å²	92.7	53%	0.526	64%	0.642	S	S	.	*			trans	-136.8	7.6	-156.8	0	0	0	0	0	117.4
192	T	35.4	Very low	45.2	Very low	146 Å²	146	91.1 Å²	91.1	90%	0.896	65%	0.648	S	S	*	*	S	Bend	trans	-117.2	126.1	164.5	46.5	0	0	0	0	107.9
193	G	33.5	Very low	42.7	Very low	78 Å²	78	100.4 Å²	100.4	80%	0.804	69%	0.685	S	S	*	*			trans	-120.7	147.1	-161.1	0	0	0	0	0	115
194	T	33.2	Very low	40.7	Very low	152 Å²	152	101.9 Å²	101.9	93%	0.933	70%	0.699	S	S	*	*			trans	-132.2	144.8	150	45.7	0	0	0	0	107.6
195	G	30.3	Very low	38.3	Very low	81 Å²	81	105.6 Å²	105.6	84%	0.835	73%	0.731	S	S	*	*			trans	-118.8	148.7	-174.2	0	0	0	0	0	112.8
196	S	29.2	Very low	37.2	Very low	122 Å²	122	110.8 Å²	110.8	85%	0.853	75%	0.749	S	S	*	*			trans	-140.3	152.2	155.2	74.4	0	0	0	0	109.6
197	T	28.4	Very low	35.7	Very low	136 Å²	136	111.7 Å²	111.7	83%	0.834	76%	0.758	S	S	*	*			trans	-112	119.4	-165.8	50.1	0	0	0	0	112.4
198	T	29.5	Very low	34.7	Very low	147 Å²	147	121.5 Å²	121.5	90%	0.902	80%	0.796	S	S	*	*			trans	-143.8	128.3	157.4	50.1	0	0	0	0	111.8
199	A	26.4	Very low	34.1	Very low	98 Å²	98	123.1 Å²	123.1	81%	0.81	80%	0.796	S	S	*	*			trans	-152.1	171.6	166.3	0	0	0	0	0	106.8
200	P	41.8	Very low	33.2	Very low	127 Å²	127	125.7 Å²	125.7	83%	0.825	81%	0.81	S	S	*	*			cis	-127.6	171.9	-5.2	41.3	-27.7	0	0	0	113.8
201	A	26.8	Very low	32.9	Very low	106 Å²	106	126.1 Å²	126.1	88%	0.876	80%	0.803	S	S	*	*			trans	-164.8	165.3	152	0	0	0	0	0	110.5
202	A	28.8	Very low	32.7	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	81%	0.813	S	S	*	*			trans	-150	173.3	-177.6	0	0	0	0	0	113.2
203	K	30.8	Very low	32.6	Very low	207 Å²	207	131 Å²	131	90%	0.9	80%	0.804	S	S	*	*			trans	88	156.7	169.4	-67.8	-169.9	174.6	-176.3	0	117.9
204	P	42.8	Very low	32.5	Very low	115 Å²	115	135.5 Å²	135.5	75%	0.747	80%	0.804	S	S	*	*			trans	-132.8	179.2	-145.1	44.6	-29.2	0	0	0	117.1
205	A	29.3	Very low	32.4	Very low	87 Å²	87	135 Å²	135	72%	0.719	80%	0.796	S	S	*	*			trans	78.8	118.9	147.5	0	0	0	0	0	122
206	K	47.2	Very low	32.5	Very low	212 Å²	212	136.7 Å²	136.7	92%	0.922	79%	0.786	S	S	*	*			trans	55.7	120.2	139.4	-64.4	-171.9	175.1	-172.6	0	122.3
207	G	26.7	Very low	32.7	Very low	70 Å²	70	136.1 Å²	136.1	72%	0.722	77%	0.773	S	S	*	*			trans	-140.7	153.8	137.5	0	0	0	0	0	106.9
208	Y	39.9	Very low	32.9	Very low	222 Å²	222	137.6 Å²	137.6	87%	0.871	76%	0.763	S	S	*	*			cis	69.1	147.7	19	-91.4	-88	0	0	0	116.6
209	D	32.2	Very low	33.2	Very low	141 Å²	141	137.5 Å²	137.5	75%	0.754	76%	0.757	S	S	*	*			trans	66.2	141.2	-163.8	-49.6	-15.6	0	0	0	112.3
210	D	32.6	Very low	33.6	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	76%	0.758	S	S	*	*			cis	-152.6	147.8	1.4	-117.1	-0.4	0	0	0	106
211	L	32.4	Very low	33.1	Very low	124 Å²	124	141.8 Å²	141.8	65%	0.649	76%	0.756	S	S	*	*				59.8	130.8	53	-57.4	177.9	0	0	0	111.7
212	F	29.4	Very low	33.6	Very low	166 Å²	166	144.4 Å²	144.4	73%	0.728	75%	0.75	S	S	*	*			cis	-153.2	178.5	12.7	-111.5	-62.1	0	0	0	109.5
213	D	32.6	Very low	33.8	Very low	135 Å²	135	143 Å²	143	72%	0.722	74%	0.744	S	S	*	*			trans	65.9	150.5	153.1	-58.5	-14.9	0	0	0	118.7
214	E	32.9	Very low	34	Very low	172 Å²	172	140.6 Å²	140.6	80%	0.804	74%	0.741	S	S	*	*			cis	-156.2	159.1	3.9	-115.7	168.6	-156.8	0	0	105.1
215	D	31.1	Very low	33.5	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	74%	0.737	S	S	*	*			cis	-168.7	176.8	-22.7	-143.1	-3.5	0	0	0	108.6
216	D	31.3	Very low	33.6	Very low	118 Å²	118	141.7 Å²	141.7	63%	0.631	74%	0.736	S	S	*	*			trans	45.3	141.4	154.4	-107.4	26.9	0	0	0	121.4	R218	D216-R218 IonicContact OD1-NH2 3.51Å; D216-R218 IonicContact OD2-CZ 3.95Å; D216-R218 IonicContact OD2-NH2 2.95Å; D216-R218 PolarHBondContact OD2-NH2 3.48Å
217	D	32.8	Very low	33.1	Very low	109 Å²	109	137 Å²	137	58%	0.583	73%	0.725	S	S	*	*			cis	-171	178.3	-16.6	-152.2	-11.8	0	0	0	111.4
218	R	32.5	Very low	33.3	Very low	167 Å²	167	140.1 Å²	140.1	63%	0.63	73%	0.725	S	S	*	*			trans	87.5	105	142.8	-81.2	151.7	-146.5	156.2	37.1	121.8	D216	D216-R218 IonicContact OD1-NH2 3.51Å; D216-R218 IonicContact OD2-CZ 3.95Å; D216-R218 IonicContact OD2-NH2 2.95Å; D216-R218 PolarHBondContact OD2-NH2 3.48Å
219	L	36.9	Very low	32.9	Very low	146 Å²	146	134.9 Å²	134.9	76%	0.764	72%	0.721	S	S	*	*				79.4	115.1	129.7	-58.6	168.7	0	0	0	117.1
220	M	34.6	Very low	33.6	Very low	169 Å²	169	133.2 Å²	133.2	83%	0.833	72%	0.718	S	S	*	*				65.6	129.5	66.3	-58.1	-73	-143.4	0	0	111
221	D	30.7	Very low	33.5	Very low	146 Å²	146	133.3 Å²	133.3	78%	0.781	72%	0.723	S	S	*	*				-153.1	175.3	61.5	-161	17.6	0	0	0	115.4
222	E	37.3	Very low	33.4	Very low	160 Å²	160	136.5 Å²	136.5	75%	0.748	73%	0.731	S	S	*	*			trans	-55.8	170.5	-173.6	-70.9	-178.7	-175.6	0	0	118.7
223	G	33.6	Very low	33.2	Very low	66 Å²	66	138.3 Å²	138.3	68%	0.68	74%	0.739	S	S	*	*			cis	151.3	-165.7	-6.6	0	0	0	0	0	114.8
224	L	36.1	Very low	33	Very low	158 Å²	158	136.1 Å²	136.1	83%	0.827	74%	0.74	S	S	*	*			trans	73.3	146.9	172	-46.5	-179.8	0	0	0	117.1
225	S	31.8	Very low	32.6	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	74%	0.74	S	S	*	*			cis	-146.7	143.6	9.5	58.6	0	0	0	0	114.6
226	D	31.6	Very low	32.5	Very low	128 Å²	128	130.9 Å²	130.9	68%	0.684	75%	0.745	S	S	*	*			trans	56.3	115.9	141.5	-68	-65.6	0	0	0	122.2
227	T	35.2	Very low	32.4	Very low	114 Å²	114	129 Å²	129	70%	0.699	75%	0.747	S	S	*	*				85.7	158.2	59.2	76.7	0	0	0	0	113.2
228	N	31.4	Very low	32.2	Very low	136 Å²	136	132 Å²	132	73%	0.727	76%	0.757	S	S	*	*			cis	-157.3	157	15.1	-152.2	-22.6	0	0	0	112.9
229	S	32	Very low	32.3	Very low	111 Å²	111	131 Å²	131	78%	0.776	76%	0.764	S	S	*	*			trans	-172.5	128.9	155	56.7	0	0	0	0	113.7
230	P	46.3	Very low	32.2	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	77%	0.766	S	S	*	*			trans	-151.7	133.3	148.2	34.5	-15.2	0	0	0	117.5
231	V	31.7	Very low	32.2	Very low	132 Å²	132	131.6 Å²	131.6	80%	0.8	77%	0.766	S	S	*	*				57.5	140.9	124.4	178.8	0	0	0	0	122.9
232	K	30	Very low	32.5	Very low	192 Å²	192	131.8 Å²	131.8	84%	0.835	77%	0.767	S	S	*	*			trans	104.6	105.8	151.4	-95.2	161.1	-175.1	175.3	0	122
233	K	25.8	Very low	32.6	Very low	203 Å²	203	131.1 Å²	131.1	88%	0.883	77%	0.768	S	S	*	*				45.1	127.2	124.3	-104.9	-172	177.5	-173.3	0	123.3
234	A	26.5	Very low	32.8	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	78%	0.775	S	S	*	*				108.8	107.4	121.8	0	0	0	0	0	122.4
235	A	25.8	Very low	32.7	Very low	98 Å²	98	135 Å²	135	81%	0.81	77%	0.767	S	S	*	*				72.5	141.6	126.9	0	0	0	0	0	124
236	A	28	Very low	32.7	Very low	103 Å²	103	137.5 Å²	137.5	85%	0.851	77%	0.772	S	S	*	*			trans	65	155.6	164.8	0	0	0	0	0	117.6
237	A	30.4	Very low	32.8	Very low	80 Å²	80	137.1 Å²	137.1	66%	0.661	77%	0.769	S	S	*	*			cis	-158.9	153.2	-29.1	0	0	0	0	0	106.3
238	E	28.8	Very low	33.3	Very low	170 Å²	170	136.9 Å²	136.9	79%	0.794	77%	0.77	S	S	*	*				165.4	128.7	100.1	-85.3	157.7	-165.7	0	0	103.4
239	D	33.3	Very low	33.2	Very low	148 Å²	148	135.1 Å²	135.1	79%	0.791	77%	0.768	S	S	*	*				69.1	143.1	91.3	-50.7	-40.1	0	0	0	112.8
240	E	36.3	Very low	33.1	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	77%	0.773	S	S	*	*			cis	-142.1	146.4	30.2	-64.9	170.8	141	0	0	113.8
241	D	34	Very low	32.1	Very low	153 Å²	153	135 Å²	135	82%	0.818	78%	0.775	S	S	*	*			trans	54.9	170.8	138.3	-51.2	-4.4	0	0	0	123.9
242	D	36.5	Very low	31.9	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	78%	0.78	S	S	*	*				-158.1	-172.6	-74.3	-145.4	45.8	0	0	0	105.9
243	D	40.4	Very low	31.9	Very low	145 Å²	145	138 Å²	138	78%	0.775	78%	0.782	S	S	*	*			cis	-78	-159.2	-7.4	-42.6	-103.6	0	0	0	112.5
244	D	37.7	Very low	32	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	78%	0.782	S	S	*	*			cis	-153.9	168.2	14.4	175.3	36.8	0	0	0	110.5
245	F	34.2	Very low	32.1	Very low	152 Å²	152	142.5 Å²	142.5	67%	0.667	79%	0.786	S	S	*	*			trans	-135.9	125.6	-171.5	-148.9	-106.1	0	0	0	116	I247	F245-I247 HydrophobicContact CD1-CD1 4.45Å; F245-I247 HydrophobicContact CE1-CD1 3.54Å; F245-I247 HydrophobicContact CE1-CG1 4.34Å; F245-I247 HydrophobicContact CZ-CD1 3.73Å
246	L	30.7	Very low	32.3	Very low	148 Å²	148	149.5 Å²	149.5	78%	0.775	79%	0.791	S	S	*	*			trans	162.3	97.6	133.2	-86.3	168.2	0	0	0	115.2
247	I	33.3	Very low	32.2	Very low	121 Å²	121	148.1 Å²	148.1	62%	0.621	79%	0.787	S	S	*	*				37.6	134.9	110.1	-66.5	178.3	0	0	0	119	F245	F245-I247 HydrophobicContact CD1-CD1 4.45Å; F245-I247 HydrophobicContact CE1-CD1 3.54Å; F245-I247 HydrophobicContact CE1-CG1 4.34Å; F245-I247 HydrophobicContact CZ-CD1 3.73Å
248	P	46.3	Very low	32.1	Very low	109 Å²	109	148.6 Å²	148.6	71%	0.708	79%	0.792	S	S	*	*			cis	-147.9	-164.5	-20.5	42.3	-21.2	0	0	0	115.8
249	S	29.2	Very low	32.2	Very low	99 Å²	99	148 Å²	148	69%	0.692	79%	0.792	S	S	*	*			trans	103.5	111	144.4	76.1	0	0	0	0	121.4
250	T	29.3	Very low	32.2	Very low	142 Å²	142	147.7 Å²	147.7	87%	0.871	79%	0.79	S	S	*	*			trans	38.1	121.2	139.3	58.7	0	0	0	0	121.4
251	G	26.3	Very low	31.9	Very low	71 Å²	71	146 Å²	146	73%	0.732	79%	0.786	S	S	*	*			trans	165.1	113.2	145.2	0	0	0	0	0	118.8
252	R	27.9	Very low	32	Very low	242 Å²	242	145.5 Å²	145.5	91%	0.913	78%	0.783	S	S	*	*			trans	57.7	139.1	148.9	-60.1	177.8	174.3	179.9	-1.8	119.9
253	V	28.4	Very low	32.1	Very low	145 Å²	145	144.9 Å²	144.9	88%	0.879	78%	0.776	S	S	*	*			trans	-117.2	143.6	151.3	178.2	0	0	0	0	108.8
254	R	28.5	Very low	32	Very low	235 Å²	235	143.8 Å²	143.8	89%	0.887	77%	0.77	S	S	*	*			trans	-126.7	157.6	172.8	-122.1	-178.8	178.7	-177.8	-1.4	107.9
255	N	28.8	Very low	31.9	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	76%	0.759	S	S	*	*			trans	-54.7	161.8	168.9	-55.1	-21.4	0	0	0	110.5
256	R	29.4	Very low	31.9	Very low	244 Å²	244	140.6 Å²	140.6	92%	0.921	77%	0.765	S	S	*	*			cis	-176.7	151.1	40.1	-159.2	-179.6	-162.8	176.9	3.9	112.6
257	G	26.1	Very low	31.9	Very low	74 Å²	74	140 Å²	140	76%	0.763	76%	0.763	S	S	*	*			trans	82.7	163.6	159.3	0	0	0	0	0	116.6
258	A	29.8	Very low	31.8	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	77%	0.772	S	S	*	*			cis	-163.9	-162.8	-7.6	0	0	0	0	0	109.4
259	I	30.9	Very low	30.9	Very low	158 Å²	158	138.9 Å²	138.9	81%	0.81	78%	0.775	S	S	*	*			trans	75.5	138.3	167.1	-63	166.3	0	0	0	114.6
260	L	31.8	Very low	31	Very low	140 Å²	140	139.9 Å²	139.9	73%	0.733	78%	0.782	S	S	*	*			cis	-156.9	154.2	-17.9	-104.7	178.5	0	0	0	106.6
261	D	31.4	Very low	31	Very low	139 Å²	139	141.7 Å²	141.7	74%	0.743	79%	0.785	S	S	*	*				158	165.8	89.2	-89.8	-35.4	0	0	0	106.1
262	D	34.3	Very low	31.3	Very low	141 Å²	141	147.4 Å²	147.4	75%	0.754	79%	0.79	S	S	*	*			cis	-166.3	-172.8	-35.4	-167.2	12.2	0	0	0	108.3
263	E	39.3	Very low	31.3	Very low	139 Å²	139	144.4 Å²	144.4	65%	0.65	79%	0.791	S	S	*	*			trans	87.5	93.3	161.9	-78	-77.1	129.2	0	0	120.6
264	N	37.4	Very low	31.2	Very low	122 Å²	122	140.6 Å²	140.6	65%	0.652	78%	0.781	S	S	*	*				72.1	143.6	129	-89.5	-34	0	0	0	121.9
265	S	36.2	Very low	31.4	Very low	84 Å²	84	138 Å²	138	59%	0.587	78%	0.779	S	S	*	*			cis	-166.1	161.2	-8.3	-146.3	0	0	0	0	114.6
266	L	34.5	Very low	31.4	Very low	154 Å²	154	136.2 Å²	136.2	81%	0.806	77%	0.769	S	S	*	*			trans	61.3	152.7	159.9	-53.7	-174.8	0	0	0	120.5
267	D	30.3	Very low	31.8	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	76%	0.759	S	S	*	*			cis	-167.7	-178.8	-37.4	-159.8	-0.9	0	0	0	108.3
268	T	30.8	Very low	32	Very low	134 Å²	134	137 Å²	137	82%	0.822	76%	0.759	S	S	*	*			trans	77.4	134.2	176.2	74.4	0	0	0	0	115.6
269	G	27.8	Very low	32	Very low	74 Å²	74	135.8 Å²	135.8	76%	0.763	76%	0.755	S	S	*	*			cis	176.9	115.4	-6.4	0	0	0	0	0	112.3
270	S	32.6	Very low	32.2	Very low	119 Å²	119	135.8 Å²	135.8	83%	0.832	75%	0.752	S	S	*	*			trans	-37.8	143.6	-178.4	-54.3	0	0	0	0	117.6
271	L	28.7	Very low	32.2	Very low	180 Å²	180	136.1 Å²	136.1	94%	0.942	75%	0.754	S	S	*	*				-144.5	152.3	125.3	-97.1	-176.4	0	0	0	110.8
272	K	32.5	Very low	32.3	Very low	192 Å²	192	136.7 Å²	136.7	84%	0.835	76%	0.757	S	S	*	*			trans	-154	115.9	-168.3	176.5	-171.9	-179.7	-177.1	0	110.6
273	L	28.1	Very low	32.2	Very low	179 Å²	179	137.4 Å²	137.4	94%	0.937	76%	0.761	S	S	*	*			trans	178	157.1	167.9	-94.3	144.4	0	0	0	107.3
274	G	26.8	Very low	32	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	77%	0.773	S	S	*	*			cis	153.8	97.9	-12.1	0	0	0	0	0	115.7
275	Q	32	Very low	31.7	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	78%	0.778	S	S	*	*			trans	82.1	162.9	145.5	-152.8	164.5	-16.5	0	0	121.4
276	D	29.6	Very low	31.6	Very low	116 Å²	116	140.5 Å²	140.5	62%	0.62	79%	0.789	S	S	*	*			trans	77.3	114.9	173	-67.4	-30.6	0	0	0	118.3
277	K	36	Very low	31.4	Very low	160 Å²	160	136.8 Å²	136.8	70%	0.696	79%	0.788	S	S	*	*				85.8	147.5	71.1	-77.2	-176.1	-171	-175.2	0	112.4
278	F	31.6	Very low	31.4	Very low	174 Å²	174	135.6 Å²	135.6	76%	0.763	79%	0.79	S	S	*	*			cis	-133.8	178	13.7	-88.3	-90.5	0	0	0	110
279	G	29.3	Very low	31.3	Very low	65 Å²	65	135.1 Å²	135.1	67%	0.67	79%	0.792	S	S	*	*			cis	-176.8	-163.9	5.9	0	0	0	0	0	114
280	E	34.6	Very low	31.5	Very low	159 Å²	159	138 Å²	138	74%	0.743	79%	0.794	S	S	*	*			trans	-69.4	172.7	-174.2	-64.2	106.1	156.1	0	0	115.8
281	D	32.8	Very low	31.4	Very low	146 Å²	146	136.1 Å²	136.1	78%	0.781	79%	0.786	S	S	*	*			cis	-159.3	-174.8	12.9	-129.2	-19	0	0	0	113.5
282	D	32.3	Very low	31.6	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	78%	0.78	S	S	*	*			trans	85.3	127.7	159	-70.5	-18.3	0	0	0	122.8
283	D	33.7	Very low	31.5	Very low	156 Å²	156	129.1 Å²	129.1	83%	0.834	78%	0.78	S	S	*	*			trans	-67.8	157.4	-174.7	-59.4	-54.5	0	0	0	117.6
284	D	33.5	Very low	31.7	Very low	168 Å²	168	125.3 Å²	125.3	90%	0.898	77%	0.774	S	S	*	*				-169.7	163	100.9	-135.3	-28.9	0	0	0	113.5
285	D	31.2	Very low	32.1	Very low	145 Å²	145	126.9 Å²	126.9	78%	0.775	78%	0.781	S	S	*	*			trans	-91.7	131.2	-169.7	-179.5	24.4	0	0	0	115.5	G287	D285-G287 PolarHBondContact OD1-N 3.46Å
286	A	34	Very low	32.2	Very low	98 Å²	98	122.2 Å²	122.2	81%	0.81	77%	0.774	S	S	*	*			trans	-156.6	79.3	164.6	0	0	0	0	0	112.2	S288	A286-S288 PolarHBondContact O-N 3.37Å
287	G	31.3	Very low	32.7	Very low	76 Å²	76	122.4 Å²	122.4	78%	0.784	78%	0.781	S	S	*	*			trans	-60.6	128.4	-174.5	0	0	0	0	0	117.1	D285	D285-G287 PolarHBondContact OD1-N 3.46Å
288	S	29.2	Very low	32.9	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	79%	0.793	S	S	*	*			trans	-139.2	106.3	159.6	-178.2	0	0	0	0	109.9	A286 V290	A286-S288 PolarHBondContact O-N 3.37Å; S288-V290 PolarHBondContact O-N 3.35Å
289	S	28.6	Very low	33.5	Very low	124 Å²	124	125.6 Å²	125.6	87%	0.867	80%	0.796	S	S	*	*			trans	-77.9	92.4	-174.5	41.6	0	0	0	0	112.1	A291	S289-A291 PolarHBondContact O-N 3.35Å
290	V	32.8	Very low	34.2	Very low	134 Å²	134	128.7 Å²	128.7	81%	0.812	80%	0.804	S	S	*	*			trans	-62.9	104.9	169.6	-179.5	0	0	0	0	109.3	S288	S288-V290 PolarHBondContact O-N 3.35Å
291	A	31.8	Very low	34.9	Very low	80 Å²	80	126.8 Å²	126.8	66%	0.661	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.2	137.4	171.7	0	0	0	0	0	109.9	S289 A293	S289-A291 PolarHBondContact O-N 3.35Å; A291-A293 PolarHBondContact O-N 3.39Å
292	P	31.5	Very low	36.9	Very low	124 Å²	124	127.5 Å²	127.5	81%	0.805	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-61.8	138.3	179.4	26.2	-34.2	0	0	0	110.3	A294	P292-A294 PolarHBondContact O-N 3.39Å; P292-A294 VanDerWaalsContact O-N 3.14Å
293	A	31.1	Very low	38.9	Very low	102 Å²	102	127.8 Å²	127.8	84%	0.843	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-54.6	120.6	-177.3	0	0	0	0	0	110.9	A291 A295	A291-A293 PolarHBondContact O-N 3.39Å; A293-A295 PolarHBondContact O-N 2.95Å
294	A	32.1	Very low	41.3	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-60.1	125.9	179.4	0	0	0	0	0	109.9	P292 A296	P292-A294 PolarHBondContact O-N 3.39Å; P292-A294 VanDerWaalsContact O-N 3.14Å; A294-A296 PolarHBondContact O-N 3.17Å
295	A	35.3	Very low	43.8	Very low	97 Å²	97	116.3 Å²	116.3	80%	0.802	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-56.6	130.6	178.3	0	0	0	0	0	110	A293	A293-A295 PolarHBondContact O-N 2.95Å
296	A	34.4	Very low	46.6	Very low	85 Å²	85	113.6 Å²	113.6	70%	0.702	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-56.9	137.3	-178.8	0	0	0	0	0	110.4	A294 L298	A294-A296 PolarHBondContact O-N 3.17Å; A296-L298 PolarHBondContact O-N 2.62Å
297	P	39	Very low	49.4	Very low	120 Å²	120	112.6 Å²	112.6	78%	0.779	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-60.8	126	179.9	25	-33.5	0	0	0	109.5	R299	P297-R299 PolarHBondContact O-N 2.92Å
298	L	40	Very low	52.3	Low	180 Å²	180	109.6 Å²	109.6	94%	0.942	69%	0.686	S	S	*	*			trans	-59.2	105.3	174.3	-72.1	168.6	0	0	0	108.4	A296	A296-L298 PolarHBondContact O-N 2.62Å
299	R	44.2	Very low	55.3	Low	220 Å²	220	109.2 Å²	109.2	83%	0.83	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-60.6	142	173.8	-63.7	-178.6	-179.9	-176.2	-1	108.4	P297 V301	P297-R299 PolarHBondContact O-N 2.92Å; R299-V301 PolarHBondContact O-N 3.33Å; R299-V301 VanDerWaalsContact O-N 3.15Å
300	P	43.8	Very low	58.4	Low	130 Å²	130	107.6 Å²	107.6	84%	0.844	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-56.7	123.7	168.1	25.4	-33	0	0	0	108.3	Y302	P300-Y302 PolarHBondContact O-N 3.13Å
301	V	50.9	Low	61.3	Low	119 Å²	119	102.4 Å²	102.4	72%	0.721	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-73.7	120.3	-178.5	-178	0	0	0	0	107.9	R299 D303	R299-V301 PolarHBondContact O-N 3.33Å; R299-V301 VanDerWaalsContact O-N 3.15Å; V301-D303 WeakPolarHBondContact CG1-OD1 2.98Å; V301-D303 PolarHBondContact O-N 3.44Å
302	Y	75.1	Confident	64.3	Low	161 Å²	161	107.7 Å²	107.7	63%	0.631	64%	0.642	S	S	*	*			trans	-83.2	96	173.9	170.1	-103.5	0	0	0	108.7	P300 G304 P305	P300-Y302 PolarHBondContact O-N 3.13Å; Y302-G304 VanDerWaalsContact CE1-C 3.48Å; Y302-G304 PolarHBondContact O-N 3.27Å; Y302-P305 WeakPolarHBondContact OH-CD 3.32Å
303	D	73	Confident	67.4	Low	158 Å²	158	103.7 Å²	103.7	85%	0.845	62%	0.619	S	S	*	*			trans	-80.5	63.3	173.1	-69.9	-33.6	0	0	0	110.5	V301	V301-D303 WeakPolarHBondContact CG1-OD1 2.98Å; V301-D303 PolarHBondContact O-N 3.44Å
304	G	85.6	Confident	70.4	Confident	23 Å²	23	101 Å²	101	24%	0.237	59%	0.588	C	S	.	*	S	Bend	trans	-137.8	-177.7	176.9	0	0	0	0	0	112.1	Y302 V306	Y302-G304 VanDerWaalsContact CE1-C 3.48Å; Y302-G304 PolarHBondContact O-N 3.27Å; G304-V306 PolarHBondContact O-N 3.1Å
305	P	85.5	Confident	73.5	Confident	60 Å²	60	96.7 Å²	96.7	39%	0.39	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-57.3	120	-174.6	21.6	-34.3	0	0	0	112.1	Y302 F474 D475	Y302-P305 WeakPolarHBondContact OH-CD 3.32Å; P305-F474 HydrophobicContact CB-CB 4.27Å; P305-F474 HydrophobicContact CB-CD1 4.02Å; P305-F474 HydrophobicContact CB-CG 4.44Å; P305-D475 VanDerWaalsContact CA-OD1 3.27Å; P305-D475 WeakPolarHBondContact CA-OD1 3.41Å
306	V	89.4	Confident	76.3	Confident	88 Å²	88	92.4 Å²	92.4	53%	0.533	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-89.5	129.6	-175.3	-178.5	0	0	0	0	109.4	G304 T308 F474 D475	G304-V306 PolarHBondContact O-N 3.1Å; V306-T308 PolarHBondContact O-N 2.69Å; V306-F474 CarbonylContact O-C 3.47Å; V306-F474 WeakPolarHBondContact O-CA 3.48Å; V306-D475 PolarHBondContact N-OD1 2.97Å; V306-D475 PolarHBondContact O-N 3.3Å
307	P	92	Very high	79.2	Confident	77 Å²	77	88.5 Å²	88.5	50%	0.5	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-56.2	122.7	174.2	-25.1	33.8	0	0	0	111.5	T472 F474	P307-T472 HydrophobicContact CB-CG2 4Å; P307-F474 HydrophobicContact CB-CE1 4.38Å; P307-F474 HydrophobicContact CG-CD1 4.33Å; P307-F474 HydrophobicContact CG-CE1 3.89Å
308	T	92.8	Very high	81.9	Confident	13 Å²	13	84 Å²	84	8%	0.08	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-70.6	130	176.9	-48.9	0	0	0	0	109.1	V306 G473 F474 G476 E477	V306-T308 PolarHBondContact O-N 2.69Å; T308-G473 PolarHBondContact N-O 3.19Å; T308-G473 PolarHBondContact OG1-O 2.84Å; T308-F474 WeakPolarHBondContact OG1-CA 3.46Å; T308-F474 PolarHBondContact OG1-N 2.91Å; T308-F474 PolarHBondContact OG1-O 3.07Å; T308-G476 WeakPolarHBondContact OG1-CA 3.48Å; T308-G476 PolarHBondContact OG1-N 3.35Å; T308-E477 WeakPolarHBondContact CB-O 3.29Å; T308-E477 WeakPolarHBondContact CG2-O 3.33Å; T308-E477 PolarHBondContact OG1-N 3.24Å; T308-E477 PolarHBondContact OG1-O 3.47Å
309	P	93.3	Very high	84.5	Confident	101 Å²	101	75.5 Å²	75.5	66%	0.656	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-62	133.7	172.7	25.5	-33.5	0	0	0	110.1	Q311 Q478	P309-Q311 PolarHBondContact O-N 2.9Å; P309-Q478 PolarHBondContact O-NE2 2.8Å
310	P	92.6	Very high	86.9	Confident	90 Å²	90	67.1 Å²	67.1	58%	0.584	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-64	131.5	179.5	25.3	-33.3	0	0	0	110.3	H469	P310-H469 VanDerWaalsContact CB-CE1 3.48Å; P310-H469 WeakPolarHBondContact CB-CE1 3.49Å
311	Q	94.9	Very high	89	Confident	25 Å²	25	64.7 Å²	64.7	12%	0.117	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-61.1	139.3	175.4	68.9	172.5	101.9	0	0	111.1	P309 V455 H469 L508	P309-Q311 PolarHBondContact O-N 2.9Å; Q311-V455 HydrophobicContact CG-CG1 3.85Å; Q311-V455 HydrophobicContact CG-CG2 4.18Å; Q311-H469 PolarHBondContact N-CE1 2.87Å; Q311-H469 PolarHBondContact O-NE2 3.14Å; Q311-L508 PolarHBondContact NE2-O 3Å
312	K	94.4	Very high	90.7	Very high	190 Å²	190	65.7 Å²	65.7	83%	0.826	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-66.8	154.7	176.8	-65.6	-169.9	176.7	-171.5	0	111.2
313	A	95.4	Very high	91.5	Very high	40 Å²	40	60.5 Å²	60.5	33%	0.331	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-61	145.1	171	0	0	0	0	0	111.3	K417 V454 V455	A313-K417 HydrophobicContact CB-CB 4.48Å; A313-K417 WeakPolarHBondContact CB-O 3.38Å; A313-V454 HydrophobicContact CB-CG1 4.43Å; A313-V455 CarbonylContact C-O 3.52Å; A313-V455 WeakPolarHBondContact CA-O 3.32Å
314	F	95.8	Very high	92.3	Very high	45 Å²	45	56.8 Å²	56.8	20%	0.197	34%	0.338	C	S	.	.			trans	-150.2	151.6	179.2	73.4	-81.7	0	0	0	111.9	V455 C456 L508 C509	F314-V455 HydrophobicContact CD1-CG1 4.16Å; F314-V455 HydrophobicContact CE1-CG1 3.79Å; F314-V455 PolarHBondContact N-O 2.93Å; F314-C456 HydrophobicContact CE1-CB 4.17Å; F314-C456 HydrophobicContact CZ-CB 4.19Å; F314-C456 WeakPolarHBondContact O-CB 3.35Å; F314-L508 HydrophobicContact CE1-CB 4.46Å; F314-L508 HydrophobicContact CE1-CD2 4.39Å; F314-L508 HydrophobicContact CE1-CG 4.35Å; F314-L508 WeakPolarHBondContact CE1-O 2.72Å; F314-L508 HydrophobicContact CZ-CD2 4.42Å; F314-L508 HydrophobicContact CZ-CG 4.16Å; F314-C509 VanDerWaalsContact CE2-O 3.24Å; F314-C509 WeakPolarHBondContact CE2-O 3.41Å
315	Q	96	Very high	92.7	Very high	9 Å²	9	57.6 Å²	57.6	4%	0.042	34%	0.336	C	S	.	.			trans	-83.4	128.3	171.3	-170.1	67.8	10.8	0	0	110	G317 S318 M329 A371 L419	Q315-G317 PolarHBondContact O-N 3.33Å; Q315-S318 VanDerWaalsContact O-CB 3.32Å; Q315-S318 WeakPolarHBondContact O-CB 3.49Å; Q315-S318 PolarHBondContact O-N 3.45Å; Q315-S318 PolarHBondContact O-OG 3.08Å; Q315-M329 HydrophobicContact CG-SD 3.54Å; Q315-M329 VanDerWaalsContact CG-SD 3.54Å; Q315-A371 WeakPolarHBondContact CG-O 3.1Å; Q315-A371 PolarHBondContact NE2-O 2.92Å; Q315-L419 PolarHBondContact NE2-O 3.05Å; Q315-L419 PolarHBondContact OE1-O 3.25Å; Q315-L419 VanDerWaalsContact OE1-O 3.13Å
316	P	94.9	Very high	93.1	Very high	6 Å²	6	56 Å²	56	4%	0.039	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	135.1	174	-23.9	34.4	0	0	0	111.7	S318 M329 C456 W510 A511	P316-S318 VanDerWaalsContact C-N 3.29Å; P316-S318 PolarHBondContact O-N 2.87Å; P316-M329 WeakPolarHBondContact O-CE 3.45Å; P316-C456 HydrophobicContact CG-CB 4.34Å; P316-W510 HydrophobicContact CB-CG 4.48Å; P316-A511 WeakPolarHBondContact CB-O 3.44Å; P316-A511 WeakPolarHBondContact CG-O 3.33Å
317	G	94.3	Very high	93.5	Very high	4 Å²	4	51.9 Å²	51.9	4%	0.041	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	19.6	-177.7	0	0	0	0	0	114.7	Q315 M329 W330 W557	Q315-G317 PolarHBondContact O-N 3.33Å; G317-M329 CarbonylContact O-C 3.59Å; G317-W330 PolarHBondContact O-N 3.38Å; G317-W557 WeakPolarHBondContact O-CH2 3.39Å; G317-W557 WeakPolarHBondContact O-CZ2 3.46Å
318	S	95.9	Very high	93.7	Very high	25 Å²	25	48.3 Å²	48.3	18%	0.175	27%	0.274	C	S	.	.			trans	-97.4	163.8	169.2	69.7	0	0	0	0	113.1	Q315 P316 F327 M328 W557	Q315-S318 VanDerWaalsContact O-CB 3.32Å; Q315-S318 WeakPolarHBondContact O-CB 3.49Å; Q315-S318 PolarHBondContact O-N 3.45Å; Q315-S318 PolarHBondContact O-OG 3.08Å; P316-S318 VanDerWaalsContact C-N 3.29Å; P316-S318 PolarHBondContact O-N 2.87Å; S318-F327 CarbonylContact C-O 3.6Å; S318-F327 WeakPolarHBondContact CA-O 3.46Å; S318-M328 VanDerWaalsContact CB-O 3.24Å; S318-M328 WeakPolarHBondContact CB-O 3.26Å; S318-W557 WeakPolarHBondContact O-CZ2 3.36Å; S318-W557 PolarHBondContact O-NE1 2.9Å
319	T	95.8	Very high	93.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	27%	0.273	C	S	.	.			trans	-120.3	156.8	168.3	63.8	0	0	0	0	111.6	R326 F327 W557 Y578	T319-R326 PolarHBondContact O-NH1 3.22Å; T319-F327 HydrophobicContact CG2-CB 4.27Å; T319-F327 HydrophobicContact CG2-CD2 3.84Å; T319-F327 PolarHBondContact N-O 2.84Å; T319-F327 PolarHBondContact OG1-N 2.72Å; T319-W557 HydrophobicContact CG2-CZ2 3.69Å; T319-Y578 HydrophobicContact CG2-CD2 4.39Å; T319-Y578 HydrophobicContact CG2-CG 4.35Å
320	P	93.6	Very high	93.9	Very high	43 Å²	43	43.8 Å²	43.8	28%	0.279	24%	0.243	S	C	.	.			trans	-57.2	144	-164.9	-29.5	37.2	0	0	0	115.3	H322 L323 R326 Y578	P320-H322 WeakPolarHBondContact CB-CE1 3.5Å; P320-H322 PolarHBondContact O-N 2.93Å; P320-H322 VanDerWaalsContact O-N 3.12Å; P320-L323 PolarHBondContact O-N 3.46Å; P320-R326 WeakPolarHBondContact O-CD 3.44Å; P320-Y578 HydrophobicContact CG-CD1 4.06Å; P320-Y578 HydrophobicContact CG-CE1 3.66Å; P320-Y578 HydrophobicContact CG-CE2 4.41Å
321	A	87.6	Confident	94.1	Very high	80 Å²	80	40.7 Å²	40.7	66%	0.661	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.1	-176.4	0	0	0	0	0	115.4	L323	A321-L323 PolarHBondContact O-N 2.67Å
322	H	87.9	Confident	94	Very high	140 Å²	140	41.9 Å²	41.9	65%	0.648	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	2.5	177.4	63.1	-116.2	0	0	0	114.1	P320	P320-H322 WeakPolarHBondContact CB-CE1 3.5Å; P320-H322 PolarHBondContact O-N 2.93Å; P320-H322 VanDerWaalsContact O-N 3.12Å
323	L	90.6	Very high	94	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.267	20%	0.201	S	C	.	.	S	Bend	trans	-97.9	122	-179.2	-62.2	171.9	0	0	0	109.7	P320 A321 H325 R326 Y578	P320-L323 PolarHBondContact O-N 3.46Å; A321-L323 PolarHBondContact O-N 2.67Å; L323-H325 PolarHBondContact O-N 2.67Å; L323-H325 VanDerWaalsContact O-N 3.11Å; L323-R326 HydrophobicContact CB-CB 3.97Å; L323-R326 HydrophobicContact CD1-CB 4.5Å; L323-Y578 HydrophobicContact CD1-CD2 4.34Å; L323-Y578 HydrophobicContact CD1-CE2 3.88Å
324	T	90.9	Very high	94	Very high	80 Å²	80	32.2 Å²	32.2	49%	0.491	19%	0.186	S	C	.	.	S	Bend	trans	-50.9	-35.6	178.1	-43.2	0	0	0	0	113.1	Y339 N340 D341	T324-Y339 HydrophobicContact CG2-CE2 4.22Å; T324-Y339 CarbonylContact O-C 3.57Å; T324-Y339 WeakPolarHBondContact O-CA 3.42Å; T324-N340 WeakPolarHBondContact CG2-O 3.35Å; T324-N340 PolarHBondContact O-N 3Å; T324-D341 HydrophobicContact CG2-CB 3.91Å
325	H	93	Very high	94	Very high	40 Å²	40	30.1 Å²	30.1	19%	0.185	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.2	171.6	-176	-154.5	0	0	0	108.7	L323 R337 G338 Y339 T581 L582	L323-H325 PolarHBondContact O-N 2.67Å; L323-H325 VanDerWaalsContact O-N 3.11Å; H325-R337 WeakPolarHBondContact NE2-CD 3.1Å; H325-G338 WeakPolarHBondContact CA-O 3.4Å; H325-Y339 HydrophobicContact CB-CD2 3.93Å; H325-Y339 HydrophobicContact CB-CE2 4.45Å; H325-T581 WeakPolarHBondContact O-CB 3.29Å; H325-T581 PolarHBondContact O-OG1 3.34Å; H325-L582 WeakPolarHBondContact ND1-CD1 3.47Å
326	R	95.1	Very high	94	Very high	28 Å²	28	29.7 Å²	29.7	11%	0.106	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.3	-171	76.7	-177	-171.7	96	5.3	113.2	T319 P320 L323 R337 G338 T369	T319-R326 PolarHBondContact O-NH1 3.22Å; P320-R326 WeakPolarHBondContact O-CD 3.44Å; L323-R326 HydrophobicContact CB-CB 3.97Å; L323-R326 HydrophobicContact CD1-CB 4.5Å; R326-R337 CarbonylContact O-C 3.56Å; R326-R337 VanDerWaalsContact O-CA 3.26Å; R326-R337 WeakPolarHBondContact O-CA 3.07Å; R326-G338 PolarHBondContact N-O 3.23Å; R326-G338 PolarHBondContact O-N 2.8Å; R326-T369 PolarHBondContact NH2-O 3.05Å
327	F	96.9	Very high	94.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.2	167	-59.1	-68.3	0	0	0	109	S318 T319 W330 I335 R337 W557 P579 T581 P585	S318-F327 CarbonylContact C-O 3.6Å; S318-F327 WeakPolarHBondContact CA-O 3.46Å; T319-F327 HydrophobicContact CG2-CB 4.27Å; T319-F327 HydrophobicContact CG2-CD2 3.84Å; T319-F327 PolarHBondContact N-O 2.84Å; T319-F327 PolarHBondContact OG1-N 2.72Å; F327-W330 AromaticContact CD1-CE3 3.89Å; F327-W330 HydrophobicContact CD1-CE3 3.89Å; F327-W330 HydrophobicContact CD1-CZ3 4.45Å; F327-W330 HydrophobicContact CD2-CE3 4.3Å; F327-W330 AromaticContact CE1-CE3 3.61Å; F327-W330 HydrophobicContact CE1-CE3 3.61Å; F327-W330 AromaticContact CE1-CZ3 3.73Å; F327-W330 HydrophobicContact CE1-CZ3 3.73Å; F327-W330 HydrophobicContact CE2-CE3 4.05Å; F327-W330 AromaticContact CE2-CZ3 3.98Å; F327-W330 HydrophobicContact CE2-CZ3 3.98Å; F327-W330 HydrophobicContact CG-CE3 4.23Å; F327-W330 AromaticContact CZ-CE3 3.71Å; F327-W330 HydrophobicContact CZ-CE3 3.71Å; F327-W330 AromaticContact CZ-CZ3 3.46Å; F327-W330 HydrophobicContact CZ-CZ3 3.46Å; F327-W330 VanDerWaalsContact CZ-CZ3 3.46Å; F327-I335 HydrophobicContact CD1-CG2 3.46Å; F327-I335 VanDerWaalsContact CD1-CG2 3.46Å; F327-I335 HydrophobicContact CE1-CG2 3.63Å; F327-R337 HydrophobicContact CD1-CG 4.04Å; F327-R337 HydrophobicContact CE1-CG 4.16Å; F327-W557 HydrophobicContact CB-CH2 4.36Å; F327-W557 HydrophobicContact CD2-CH2 4.3Å; F327-W557 HydrophobicContact CG-CH2 4.43Å; F327-P579 HydrophobicContact CE2-CG 4.19Å; F327-T581 HydrophobicContact CD1-CG2 4.13Å; F327-T581 HydrophobicContact CD2-CG2 4.22Å; F327-T581 HydrophobicContact CE1-CG2 3.79Å; F327-T581 HydrophobicContact CE2-CG2 3.89Å; F327-T581 HydrophobicContact CG-CG2 4.33Å; F327-T581 HydrophobicContact CZ-CG2 3.66Å; F327-P585 HydrophobicContact CZ-CG 4.5Å
328	M	95.3	Very high	94.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-35.5	168.5	-60.7	179.1	72.7	0	0	110.5	S318 V336 I347 H368 A371	S318-M328 VanDerWaalsContact CB-O 3.24Å; S318-M328 WeakPolarHBondContact CB-O 3.26Å; M328-V336 HydrophobicContact CB-CB 4.32Å; M328-V336 HydrophobicContact CB-CG1 4.09Å; M328-V336 PolarHBondContact N-O 2.85Å; M328-V336 HydrophobicContact SD-CG1 4.32Å; M328-I347 HydrophobicContact CE-CD1 4.01Å; M328-I347 HydrophobicContact SD-CD1 3.84Å; M328-I347 HydrophobicContact SD-CG1 3.79Å; M328-I347 HydrophobicContact SD-CG2 4.43Å; M328-H368 HydrophobicContact CE-CB 4.39Å; M328-H368 WeakPolarHBondContact CE-O 3.27Å; M328-A371 HydrophobicContact CB-CB 3.71Å; M328-A371 HydrophobicContact CE-CB 4.06Å; M328-A371 HydrophobicContact SD-CB 4.5Å
329	M	95.3	Very high	93.9	Very high	15 Å²	15	34 Å²	34	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.6	173.3	-166.4	69.9	-169.5	0	0	109.7	Q315 P316 G317 N331 V336 D372	Q315-M329 HydrophobicContact CG-SD 3.54Å; Q315-M329 VanDerWaalsContact CG-SD 3.54Å; P316-M329 WeakPolarHBondContact O-CE 3.45Å; G317-M329 CarbonylContact O-C 3.59Å; M329-N331 HydrophobicContact CE-CB 4.01Å; M329-V336 HydrophobicContact CB-CB 4.08Å; M329-V336 HydrophobicContact CB-CG2 4.11Å; M329-V336 PolarHBondContact N-O 3.24Å; M329-V336 PolarHBondContact O-N 2.84Å; M329-D372 VanDerWaalsContact CE-OD1 3.26Å; M329-D372 WeakPolarHBondContact CE-OD1 3.22Å
330	W	96.9	Very high	93.6	Very high	4 Å²	4	38 Å²	38	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	115.6	161.8	-170.8	-18.9	0	0	0	107.7	G317 F327 I335 H352 W557 V559 I571 P585 V587	G317-W330 PolarHBondContact O-N 3.38Å; F327-W330 AromaticContact CD1-CE3 3.89Å; F327-W330 HydrophobicContact CD1-CE3 3.89Å; F327-W330 HydrophobicContact CD1-CZ3 4.45Å; F327-W330 HydrophobicContact CD2-CE3 4.3Å; F327-W330 AromaticContact CE1-CE3 3.61Å; F327-W330 HydrophobicContact CE1-CE3 3.61Å; F327-W330 AromaticContact CE1-CZ3 3.73Å; F327-W330 HydrophobicContact CE1-CZ3 3.73Å; F327-W330 HydrophobicContact CE2-CE3 4.05Å; F327-W330 AromaticContact CE2-CZ3 3.98Å; F327-W330 HydrophobicContact CE2-CZ3 3.98Å; F327-W330 HydrophobicContact CG-CE3 4.23Å; F327-W330 AromaticContact CZ-CE3 3.71Å; F327-W330 HydrophobicContact CZ-CE3 3.71Å; F327-W330 AromaticContact CZ-CZ3 3.46Å; F327-W330 HydrophobicContact CZ-CZ3 3.46Å; F327-W330 VanDerWaalsContact CZ-CZ3 3.46Å; W330-I335 HydrophobicContact CB-CG2 4.49Å; W330-I335 HydrophobicContact CD2-CD1 3.88Å; W330-I335 HydrophobicContact CD2-CG1 3.88Å; W330-I335 HydrophobicContact CD2-CG2 4.32Å; W330-I335 HydrophobicContact CE3-CD1 4.2Å; W330-I335 HydrophobicContact CE3-CG2 4.36Å; W330-I335 HydrophobicContact CG-CD1 4.47Å; W330-I335 HydrophobicContact CG-CG1 3.93Å; W330-I335 HydrophobicContact CG-CG2 4.38Å; W330-I335 HydrophobicContact CH2-CD1 4.04Å; W330-I335 HydrophobicContact CZ2-CD1 3.69Å; W330-I335 HydrophobicContact CZ2-CG1 4.42Å; W330-I335 HydrophobicContact CZ3-CD1 4.28Å; W330-H352 AromaticContact CD1-CE1 3.83Å; W330-H352 AromaticContact CD1-NE2 3.81Å; W330-H352 AromaticContact NE1-CE1 3.29Å; W330-H352 PolarHBondContact NE1-CE1 2.83Å; W330-H352 VanDerWaalsContact NE1-CE1 3.29Å; W330-H352 AromaticContact NE1-NE2 3.59Å; W330-W557 HydrophobicContact CB-CH2 3.7Å; W330-W557 HydrophobicContact CB-CZ3 3.94Å; W330-W557 HydrophobicContact CD2-CZ3 4.08Å; W330-W557 HydrophobicContact CE3-CH2 4.17Å; W330-W557 AromaticContact CE3-CZ3 3.83Å; W330-W557 HydrophobicContact CE3-CZ3 3.83Å; W330-W557 HydrophobicContact CG-CH2 4.4Å; W330-W557 HydrophobicContact CG-CZ3 4.18Å; W330-V559 HydrophobicContact CD2-CG2 4.4Å; W330-V559 HydrophobicContact CG-CG1 4.13Å; W330-V559 HydrophobicContact CG-CG2 4.3Å; W330-I571 HydrophobicContact CD2-CD1 4.17Å; W330-I571 HydrophobicContact CE3-CD1 3.71Å; W330-I571 HydrophobicContact CH2-CD1 3.47Å; W330-I571 VanDerWaalsContact CH2-CD1 3.47Å; W330-I571 HydrophobicContact CZ2-CD1 3.93Å; W330-I571 HydrophobicContact CZ3-CD1 3.33Å; W330-P585 HydrophobicContact CH2-CB 4.44Å; W330-P585 HydrophobicContact CZ3-CG 4.22Å; W330-V587 HydrophobicContact CH2-CG2 4.47Å; W330-V587 HydrophobicContact CZ2-CG2 3.72Å
331	N	95.4	Very high	93.2	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.134	21%	0.208	C	C	.	.			trans	-132.7	-165.5	-179.5	66.4	17	0	0	0	110.9	M329 V333 G334 H352 L373	M329-N331 HydrophobicContact CE-CB 4.01Å; N331-V333 VanDerWaalsContact C-N 3.28Å; N331-V333 PolarHBondContact O-N 2.89Å; N331-V333 WeakPolarHBondContact OD1-CA 3.26Å; N331-V333 WeakPolarHBondContact OD1-CB 3.43Å; N331-V333 PolarHBondContact OD1-N 3.02Å; N331-G334 PolarHBondContact N-O 3.01Å; N331-G334 VanDerWaalsContact N-O 3.08Å; N331-G334 PolarHBondContact OD1-N 3.1Å; N331-G334 VanDerWaalsContact OD1-N 3.08Å; N331-H352 PolarHBondContact O-NE2 2.93Å; N331-L373 PolarHBondContact ND2-O 2.89Å
332	S	93.1	Very high	92.9	Very high	50 Å²	50	43.1 Å²	43.1	35%	0.35	22%	0.217	S	C	.	.	S	Bend	trans	-72.9	-11.5	178.7	-60.7	0	0	0	0	115
333	V	94.1	Very high	92.6	Very high	28 Å²	28	43.3 Å²	43.3	17%	0.17	22%	0.218	C	C	.	.	S	Bend	trans	-91.2	-45.7	176.9	-175.8	0	0	0	0	111.1	N331 F351 H352 L373 Q375	N331-V333 VanDerWaalsContact C-N 3.28Å; N331-V333 PolarHBondContact O-N 2.89Å; N331-V333 WeakPolarHBondContact OD1-CA 3.26Å; N331-V333 WeakPolarHBondContact OD1-CB 3.43Å; N331-V333 PolarHBondContact OD1-N 3.02Å; V333-F351 HydrophobicContact CG1-CD1 4.12Å; V333-F351 HydrophobicContact CG1-CE1 4.48Å; V333-H352 PolarHBondContact O-CD2 2.85Å; V333-H352 PolarHBondContact O-N 3.38Å; V333-L373 HydrophobicContact CG1-CG 4.36Å; V333-Q375 HydrophobicContact CG1-CG 4.09Å; V333-Q375 HydrophobicContact CG2-CG 4.05Å
334	G	95.1	Very high	92.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-155.6	-176.1	0	0	0	0	0	114.8	N331 E350 H352	N331-G334 PolarHBondContact N-O 3.01Å; N331-G334 VanDerWaalsContact N-O 3.08Å; N331-G334 PolarHBondContact OD1-N 3.1Å; N331-G334 VanDerWaalsContact OD1-N 3.08Å; G334-E350 CarbonylContact C-O 3.54Å; G334-E350 WeakPolarHBondContact CA-O 3.43Å; G334-H352 VanDerWaalsContact CA-NE2 3.34Å; G334-H352 WeakPolarHBondContact CA-NE2 3.29Å; G334-H352 PolarHBondContact N-CD2 2.81Å; G334-H352 PolarHBondContact N-NE2 2.94Å; G334-H352 PolarHBondContact O-NE2 3.29Å
335	I	96.8	Very high	92.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	127.2	-176.6	-46.4	-177.6	0	0	0	108	F327 W330 R337 E350	F327-I335 HydrophobicContact CD1-CG2 3.46Å; F327-I335 VanDerWaalsContact CD1-CG2 3.46Å; F327-I335 HydrophobicContact CE1-CG2 3.63Å; W330-I335 HydrophobicContact CB-CG2 4.49Å; W330-I335 HydrophobicContact CD2-CD1 3.88Å; W330-I335 HydrophobicContact CD2-CG1 3.88Å; W330-I335 HydrophobicContact CD2-CG2 4.32Å; W330-I335 HydrophobicContact CE3-CD1 4.2Å; W330-I335 HydrophobicContact CE3-CG2 4.36Å; W330-I335 HydrophobicContact CG-CD1 4.47Å; W330-I335 HydrophobicContact CG-CG1 3.93Å; W330-I335 HydrophobicContact CG-CG2 4.38Å; W330-I335 HydrophobicContact CH2-CD1 4.04Å; W330-I335 HydrophobicContact CZ2-CD1 3.69Å; W330-I335 HydrophobicContact CZ2-CG1 4.42Å; W330-I335 HydrophobicContact CZ3-CD1 4.28Å; I335-R337 HydrophobicContact CG2-CG 3.95Å; I335-E350 HydrophobicContact CB-CB 4.47Å; I335-E350 PolarHBondContact N-O 2.89Å; I335-E350 PolarHBondContact O-N 3.37Å
336	V	96.8	Very high	92.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.3	165.7	-173.2	0	0	0	0	108	M328 M329 I347 D348 V349 A371 L373	M328-V336 HydrophobicContact CB-CB 4.32Å; M328-V336 HydrophobicContact CB-CG1 4.09Å; M328-V336 PolarHBondContact N-O 2.85Å; M328-V336 HydrophobicContact SD-CG1 4.32Å; M329-V336 HydrophobicContact CB-CB 4.08Å; M329-V336 HydrophobicContact CB-CG2 4.11Å; M329-V336 PolarHBondContact N-O 3.24Å; M329-V336 PolarHBondContact O-N 2.84Å; V336-I347 HydrophobicContact CG1-CG2 3.63Å; V336-D348 CarbonylContact C-O 3.56Å; V336-D348 WeakPolarHBondContact CA-O 3.39Å; V336-V349 HydrophobicContact CG1-CG2 4.33Å; V336-V349 HydrophobicContact CG2-CG1 4.39Å; V336-V349 HydrophobicContact CG2-CG2 4.36Å; V336-A371 HydrophobicContact CB-CB 4.17Å; V336-A371 HydrophobicContact CG1-CB 3.8Å; V336-A371 HydrophobicContact CG2-CB 4.41Å; V336-L373 HydrophobicContact CG2-CB 4.03Å; V336-L373 HydrophobicContact CG2-CD2 4.12Å
337	R	95.8	Very high	92.5	Very high	26 Å²	26	42.1 Å²	42.1	10%	0.098	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	175.9	-55.5	-178.5	-177.6	82.3	-0	109.8	H325 R326 F327 I335 I347 D348 E350	H325-R337 WeakPolarHBondContact NE2-CD 3.1Å; R326-R337 CarbonylContact O-C 3.56Å; R326-R337 VanDerWaalsContact O-CA 3.26Å; R326-R337 WeakPolarHBondContact O-CA 3.07Å; F327-R337 HydrophobicContact CD1-CG 4.04Å; F327-R337 HydrophobicContact CE1-CG 4.16Å; I335-R337 HydrophobicContact CG2-CG 3.95Å; R337-I347 CarbonylContact O-C 3.57Å; R337-I347 VanDerWaalsContact O-CA 3.27Å; R337-I347 WeakPolarHBondContact O-CA 3.22Å; R337-D348 HydrophobicContact CB-CB 4.34Å; R337-D348 PolarHBondContact N-O 3.08Å; R337-D348 PolarHBondContact O-N 3.43Å; R337-E350 IonicContact CZ-OE2 3.51Å; R337-E350 IonicContact NH1-OE2 3.37Å; R337-E350 PolarHBondContact NH1-OE2 2.82Å; R337-E350 IonicContact NH2-OE2 3.36Å; R337-E350 PolarHBondContact NH2-OE2 2.97Å
338	G	93.9	Very high	92.4	Very high	6 Å²	6	44.9 Å²	44.9	6%	0.062	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.9	167	0	0	0	0	0	109.6	H325 R326	H325-G338 WeakPolarHBondContact CA-O 3.4Å; R326-G338 PolarHBondContact N-O 3.23Å; R326-G338 PolarHBondContact O-N 2.8Å
339	Y	92.2	Very high	92.5	Very high	94 Å²	94	44.8 Å²	44.8	37%	0.369	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.4	167.1	-174	-102.4	0	0	0	108.5	T324 H325 D341 N345 A346	T324-Y339 HydrophobicContact CG2-CE2 4.22Å; T324-Y339 CarbonylContact O-C 3.57Å; T324-Y339 WeakPolarHBondContact O-CA 3.42Å; H325-Y339 HydrophobicContact CB-CD2 3.93Å; H325-Y339 HydrophobicContact CB-CE2 4.45Å; Y339-D341 HydrophobicContact CE1-CB 4.38Å; Y339-D341 WeakPolarHBondContact CE1-OD2 3.47Å; Y339-D341 PolarHBondContact OH-OD2 3.44Å; Y339-D341 VanDerWaalsContact OH-OD2 3.07Å; Y339-N345 CarbonylContact O-C 3.55Å; Y339-N345 WeakPolarHBondContact O-CA 3.22Å; Y339-N345 PolarHBondContact O-OD1 3.01Å; Y339-N345 VanDerWaalsContact O-OD1 3.06Å; Y339-A346 PolarHBondContact N-O 3.41Å; Y339-A346 PolarHBondContact O-N 3.2Å
340	N	89.5	Confident	92.5	Very high	86 Å²	86	46.3 Å²	46.3	46%	0.46	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	100.6	-177.7	178	111.7	0	0	0	108.3	T324 N345	T324-N340 WeakPolarHBondContact CG2-O 3.35Å; T324-N340 PolarHBondContact O-N 3Å; N340-N345 VanDerWaalsContact OD1-CG 3.31Å; N340-N345 PolarHBondContact OD1-ND2 2.74Å
341	D	85.8	Confident	92.5	Very high	49 Å²	49	46.6 Å²	46.6	26%	0.262	24%	0.237	S	C	.	.			trans	-102.4	-154	164.7	66.4	27.6	0	0	0	110.8	T324 Y339 Q343 D344	T324-D341 HydrophobicContact CG2-CB 3.91Å; Y339-D341 HydrophobicContact CE1-CB 4.38Å; Y339-D341 WeakPolarHBondContact CE1-OD2 3.47Å; Y339-D341 PolarHBondContact OH-OD2 3.44Å; Y339-D341 VanDerWaalsContact OH-OD2 3.07Å; D341-Q343 WeakPolarHBondContact OD1-CA 3.4Å; D341-Q343 PolarHBondContact OD1-N 2.94Å; D341-D344 PolarHBondContact N-O 2.93Å; D341-D344 PolarHBondContact OD1-N 3.39Å
342	E	80.4	Confident	92.4	Very high	182 Å²	182	49 Å²	49	85%	0.85	25%	0.247	S	C	*	.	S	Bend	trans	-92.8	-2	179.7	-70.2	178.4	179.8	0	0	113.2
343	Q	82.1	Confident	92.5	Very high	143 Å²	143	50.7 Å²	50.7	67%	0.668	25%	0.252	S	S	*	.	S	Bend	trans	-120.9	-48.3	-173.9	-72.6	73.6	61.8	0	0	111.8	D341	D341-Q343 WeakPolarHBondContact OD1-CA 3.4Å; D341-Q343 PolarHBondContact OD1-N 2.94Å
344	D	83.2	Confident	92.3	Very high	117 Å²	117	55.4 Å²	55.4	63%	0.626	28%	0.281	S	S	*	.			trans	-127.9	140.4	-174.6	-76.2	-50.3	0	0	0	111.8	D341	D341-D344 PolarHBondContact N-O 2.93Å; D341-D344 PolarHBondContact OD1-N 3.39Å
345	N	92.4	Very high	92.2	Very high	42 Å²	42	59.4 Å²	59.4	23%	0.225	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.6	175.3	-165.5	-9	0	0	0	109.5	Y339 N340 N364	Y339-N345 CarbonylContact O-C 3.55Å; Y339-N345 WeakPolarHBondContact O-CA 3.22Å; Y339-N345 PolarHBondContact O-OD1 3.01Å; Y339-N345 VanDerWaalsContact O-OD1 3.06Å; N340-N345 VanDerWaalsContact OD1-CG 3.31Å; N340-N345 PolarHBondContact OD1-ND2 2.74Å; N345-N364 HydrophobicContact CB-CB 4.14Å; N345-N364 PolarHBondContact ND2-ND2 3.47Å; N345-N364 WeakPolarHBondContact O-CB 3.27Å; N345-N364 PolarHBondContact O-N 3.33Å; N345-N364 WeakPolarHBondContact OD1-CB 3.45Å; N345-N364 PolarHBondContact OD1-ND2 2.73Å
346	A	94.6	Very high	91.9	Very high	14 Å²	14	61.9 Å²	61.9	12%	0.116	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.7	-170.9	0	0	0	0	0	112.6	Y339 L362	Y339-A346 PolarHBondContact N-O 3.41Å; Y339-A346 PolarHBondContact O-N 3.2Å; A346-L362 CarbonylContact C-O 3.54Å; A346-L362 WeakPolarHBondContact CA-O 3.5Å
347	I	96.3	Very high	91.7	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.2	178.1	-67.9	170.9	0	0	0	109.5	M328 V336 R337 V349 L362 N364 H368 L380	M328-I347 HydrophobicContact CE-CD1 4.01Å; M328-I347 HydrophobicContact SD-CD1 3.84Å; M328-I347 HydrophobicContact SD-CG1 3.79Å; M328-I347 HydrophobicContact SD-CG2 4.43Å; V336-I347 HydrophobicContact CG1-CG2 3.63Å; R337-I347 CarbonylContact O-C 3.57Å; R337-I347 VanDerWaalsContact O-CA 3.27Å; R337-I347 WeakPolarHBondContact O-CA 3.22Å; I347-V349 HydrophobicContact CG2-CG2 4.4Å; I347-L362 HydrophobicContact CB-CB 4.32Å; I347-L362 PolarHBondContact N-O 3.21Å; I347-L362 PolarHBondContact O-N 3.3Å; I347-N364 HydrophobicContact CD1-CB 4.09Å; I347-N364 HydrophobicContact CG1-CB 4.08Å; I347-H368 HydrophobicContact CD1-CB 4.04Å; I347-L380 HydrophobicContact CD1-CD1 4.15Å; I347-L380 HydrophobicContact CD1-CD2 4.36Å
348	D	95.9	Very high	91.6	Very high	58 Å²	58	68.7 Å²	68.7	31%	0.31	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.1	174.1	-67.9	-40.8	0	0	0	110.3	V336 R337 M360 H361	V336-D348 CarbonylContact C-O 3.56Å; V336-D348 WeakPolarHBondContact CA-O 3.39Å; R337-D348 HydrophobicContact CB-CB 4.34Å; R337-D348 PolarHBondContact N-O 3.08Å; R337-D348 PolarHBondContact O-N 3.43Å; D348-M360 WeakPolarHBondContact CA-O 3.09Å; D348-H361 IonicContact OD1-CE1 2.97Å; D348-H361 IonicContact OD1-CG 3.26Å; D348-H361 IonicContact OD1-ND1 2.61Å; D348-H361 PolarHBondContact OD1-ND1 3.48Å
349	V	96.9	Very high	91.6	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119	172.7	-173.5	0	0	0	0	109.2	V336 I347 F351 A359 M360 L373 V378	V336-V349 HydrophobicContact CG1-CG2 4.33Å; V336-V349 HydrophobicContact CG2-CG1 4.39Å; V336-V349 HydrophobicContact CG2-CG2 4.36Å; I347-V349 HydrophobicContact CG2-CG2 4.4Å; V349-F351 HydrophobicContact CG1-CD2 4.49Å; V349-F351 HydrophobicContact CG1-CE2 3.76Å; V349-F351 HydrophobicContact CG1-CZ 3.86Å; V349-A359 CarbonylContact O-C 3.56Å; V349-A359 VanDerWaalsContact O-CA 3.24Å; V349-A359 WeakPolarHBondContact O-CA 3.28Å; V349-M360 HydrophobicContact CB-CB 4.23Å; V349-M360 HydrophobicContact CB-CE 4.16Å; V349-M360 HydrophobicContact CG1-CE 4.09Å; V349-M360 HydrophobicContact CG2-CE 4.35Å; V349-M360 PolarHBondContact N-O 3.05Å; V349-M360 PolarHBondContact O-N 2.67Å; V349-L373 HydrophobicContact CG1-CD1 3.83Å; V349-L373 HydrophobicContact CG1-CD2 4.3Å; V349-V378 HydrophobicContact CG1-CG2 4.16Å; V349-V378 HydrophobicContact CG2-CG1 4.33Å; V349-V378 HydrophobicContact CG2-CG2 4.32Å
350	E	95.9	Very high	91.6	Very high	46 Å²	46	68.5 Å²	68.5	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.2	178.1	-177.2	-169.3	170	0	0	110	G334 I335 R337 R584	G334-E350 CarbonylContact C-O 3.54Å; G334-E350 WeakPolarHBondContact CA-O 3.43Å; I335-E350 HydrophobicContact CB-CB 4.47Å; I335-E350 PolarHBondContact N-O 2.89Å; I335-E350 PolarHBondContact O-N 3.37Å; R337-E350 IonicContact CZ-OE2 3.51Å; R337-E350 IonicContact NH1-OE2 3.37Å; R337-E350 PolarHBondContact NH1-OE2 2.82Å; R337-E350 IonicContact NH2-OE2 3.36Å; R337-E350 PolarHBondContact NH2-OE2 2.97Å; E350-R584 IonicContact OE1-CZ 2.68Å; E350-R584 IonicContact OE1-NE 2.76Å; E350-R584 IonicContact OE1-NH1 3.74Å; E350-R584 PolarHBondContact OE1-NH1 2.76Å; E350-R584 IonicContact OE1-NH2 2.66Å; E350-R584 PolarHBondContact OE1-NH2 3.42Å; E350-R584 VanDerWaalsContact OE1-NH2 3.15Å; E350-R584 IonicContact OE2-CZ 2.73Å
351	F	96.3	Very high	91.9	Very high	10 Å²	10	70.3 Å²	70.3	4%	0.044	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	142	174.5	-60.8	-92.6	0	0	0	110.1	V333 V349 D353 V356 H357 M360 L373 F397	V333-F351 HydrophobicContact CG1-CD1 4.12Å; V333-F351 HydrophobicContact CG1-CE1 4.48Å; V349-F351 HydrophobicContact CG1-CD2 4.49Å; V349-F351 HydrophobicContact CG1-CE2 3.76Å; V349-F351 HydrophobicContact CG1-CZ 3.86Å; F351-D353 VanDerWaalsContact C-N 3.28Å; F351-D353 WeakPolarHBondContact CB-O 3.33Å; F351-V356 HydrophobicContact CD1-CB 4.32Å; F351-V356 HydrophobicContact CD1-CG1 3.93Å; F351-V356 HydrophobicContact CE1-CG1 4.18Å; F351-H357 HydrophobicContact CD2-CB 3.94Å; F351-H357 HydrophobicContact CE1-CB 4.32Å; F351-H357 HydrophobicContact CE2-CB 3.64Å; F351-H357 HydrophobicContact CG-CB 4.43Å; F351-H357 HydrophobicContact CZ-CB 3.84Å; F351-M360 HydrophobicContact CE2-CE 4.14Å; F351-M360 HydrophobicContact CZ-CE 4.1Å; F351-L373 HydrophobicContact CE1-CD1 3.75Å; F351-L373 HydrophobicContact CZ-CD1 4Å; F351-F397 AromaticContact CE1-CE1 3.88Å; F351-F397 HydrophobicContact CE1-CE1 3.88Å; F351-F397 HydrophobicContact CE1-CE2 4.15Å; F351-F397 AromaticContact CE1-CZ 3.51Å; F351-F397 HydrophobicContact CE1-CZ 3.51Å; F351-F397 HydrophobicContact CZ-CD1 4.27Å; F351-F397 AromaticContact CZ-CE1 3.71Å; F351-F397 HydrophobicContact CZ-CE1 3.71Å; F351-F397 HydrophobicContact CZ-CE2 4.26Å; F351-F397 AromaticContact CZ-CZ 3.72Å; F351-F397 HydrophobicContact CZ-CZ 3.72Å
352	H	94.3	Very high	92.2	Very high	75 Å²	75	69.9 Å²	69.9	35%	0.347	38%	0.378	S	S	.	.	S	Bend	trans	-72.6	-26.6	175.6	-57.6	-53.4	0	0	0	112	W330 N331 V333 G334	W330-H352 AromaticContact CD1-CE1 3.83Å; W330-H352 AromaticContact CD1-NE2 3.81Å; W330-H352 AromaticContact NE1-CE1 3.29Å; W330-H352 PolarHBondContact NE1-CE1 2.83Å; W330-H352 VanDerWaalsContact NE1-CE1 3.29Å; W330-H352 AromaticContact NE1-NE2 3.59Å; N331-H352 PolarHBondContact O-NE2 2.93Å; V333-H352 PolarHBondContact O-CD2 2.85Å; V333-H352 PolarHBondContact O-N 3.38Å; G334-H352 VanDerWaalsContact CA-NE2 3.34Å; G334-H352 WeakPolarHBondContact CA-NE2 3.29Å; G334-H352 PolarHBondContact N-CD2 2.81Å; G334-H352 PolarHBondContact N-NE2 2.94Å; G334-H352 PolarHBondContact O-NE2 3.29Å
353	D	93.3	Very high	92.8	Very high	87 Å²	87	66.6 Å²	66.6	47%	0.465	37%	0.371	S	S	.	.	S	Bend	trans	-111.1	117.5	168.4	-177.5	3.6	0	0	0	109.6	F351 A355 V356	F351-D353 VanDerWaalsContact C-N 3.28Å; F351-D353 WeakPolarHBondContact CB-O 3.33Å; D353-A355 PolarHBondContact O-N 2.79Å; D353-A355 VanDerWaalsContact OD1-CB 3.32Å; D353-A355 WeakPolarHBondContact OD1-CB 3.32Å; D353-A355 PolarHBondContact OD1-N 2.76Å; D353-V356 HydrophobicContact CB-CG2 4.21Å; D353-V356 PolarHBondContact O-N 3.06Å
354	T	91.6	Very high	93.3	Very high	126 Å²	126	60.2 Å²	60.2	77%	0.773	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.8	177.9	49.8	0	0	0	0	113.9
355	A	91.8	Very high	93.6	Very high	85 Å²	85	60 Å²	60	70%	0.702	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-22.1	173.7	0	0	0	0	0	113.1	D353	D353-A355 PolarHBondContact O-N 2.79Å; D353-A355 VanDerWaalsContact OD1-CB 3.32Å; D353-A355 WeakPolarHBondContact OD1-CB 3.32Å; D353-A355 PolarHBondContact OD1-N 2.76Å
356	V	90.3	Very high	93.4	Very high	52 Å²	52	60.3 Å²	60.3	32%	0.315	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-53.9	177.4	175.7	0	0	0	0	110.4	F351 D353 F397	F351-V356 HydrophobicContact CD1-CB 4.32Å; F351-V356 HydrophobicContact CD1-CG1 3.93Å; F351-V356 HydrophobicContact CE1-CG1 4.18Å; D353-V356 HydrophobicContact CB-CG2 4.21Å; D353-V356 PolarHBondContact O-N 3.06Å; V356-F397 HydrophobicContact CG1-CE2 4.07Å; V356-F397 HydrophobicContact CG1-CZ 4.44Å
357	H	92.8	Very high	93.2	Very high	41 Å²	41	61 Å²	61	19%	0.19	36%	0.359	C	S	.	.			trans	-161.7	161.5	174.4	-160.6	-94.6	0	0	0	110.6	F351 M360 F397	F351-H357 HydrophobicContact CD2-CB 3.94Å; F351-H357 HydrophobicContact CE1-CB 4.32Å; F351-H357 HydrophobicContact CE2-CB 3.64Å; F351-H357 HydrophobicContact CG-CB 4.43Å; F351-H357 HydrophobicContact CZ-CB 3.84Å; H357-M360 VanDerWaalsContact CE1-SD 3.55Å; H357-F397 HydrophobicContact CB-CD2 3.95Å; H357-F397 HydrophobicContact CB-CE2 4.09Å; H357-F397 AromaticContact CD2-CD2 3.66Å; H357-F397 AromaticContact CG-CD2 3.9Å
358	H	93.4	Very high	93	Very high	128 Å²	128	61.6 Å²	61.6	59%	0.593	36%	0.361	S	S	*	.			trans	-70.9	157.3	168.7	66.8	78.9	0	0	0	111.1
359	A	94.2	Very high	92.9	Very high	71 Å²	71	61.6 Å²	61.6	59%	0.587	36%	0.364	S	S	*	.			trans	-59.7	141	171.9	0	0	0	0	0	110.7	V349	V349-A359 CarbonylContact O-C 3.56Å; V349-A359 VanDerWaalsContact O-CA 3.24Å; V349-A359 WeakPolarHBondContact O-CA 3.28Å
360	M	93.1	Very high	92.7	Very high	25 Å²	25	62.9 Å²	62.9	12%	0.123	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.4	-178.3	-56.7	-174.2	-71	0	0	110.2	D348 V349 F351 H357 V378 F397	D348-M360 WeakPolarHBondContact CA-O 3.09Å; V349-M360 HydrophobicContact CB-CB 4.23Å; V349-M360 HydrophobicContact CB-CE 4.16Å; V349-M360 HydrophobicContact CG1-CE 4.09Å; V349-M360 HydrophobicContact CG2-CE 4.35Å; V349-M360 PolarHBondContact N-O 3.05Å; V349-M360 PolarHBondContact O-N 2.67Å; F351-M360 HydrophobicContact CE2-CE 4.14Å; F351-M360 HydrophobicContact CZ-CE 4.1Å; H357-M360 VanDerWaalsContact CE1-SD 3.55Å; M360-V378 HydrophobicContact CE-CG2 3.53Å; M360-F397 HydrophobicContact CE-CD1 4.13Å
361	H	94.4	Very high	92.7	Very high	123 Å²	123	60.7 Å²	60.7	57%	0.569	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	175.4	-179.7	80.9	0	0	0	108.2	D348	D348-H361 IonicContact OD1-CE1 2.97Å; D348-H361 IonicContact OD1-CG 3.26Å; D348-H361 IonicContact OD1-ND1 2.61Å; D348-H361 PolarHBondContact OD1-ND1 3.48Å
362	L	93.4	Very high	92.8	Very high	41 Å²	41	60.8 Å²	60.8	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.7	-172.7	-57.5	172.6	0	0	0	109.6	A346 I347 N364 L380 L395	A346-L362 CarbonylContact C-O 3.54Å; A346-L362 WeakPolarHBondContact CA-O 3.5Å; I347-L362 HydrophobicContact CB-CB 4.32Å; I347-L362 PolarHBondContact N-O 3.21Å; I347-L362 PolarHBondContact O-N 3.3Å; L362-N364 PolarHBondContact O-N 2.8Å; L362-L380 HydrophobicContact CD1-CD1 4.06Å; L362-L395 HydrophobicContact CD1-CD1 4.2Å; L362-L395 HydrophobicContact CD1-CD2 3.78Å; L362-L395 HydrophobicContact CD2-CD2 3.79Å; L362-L395 HydrophobicContact CG-CD2 4.46Å
363	T	92.4	Very high	92.8	Very high	112 Å²	112	57.3 Å²	57.3	69%	0.687	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.3	174.3	45.2	0	0	0	0	110.2	S365	T363-S365 PolarHBondContact O-N 3.27Å
364	N	92.4	Very high	92.9	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.053	33%	0.329	C	S	.	.			trans	-86.2	54.8	-167.4	-169.9	20.4	0	0	0	112.4	N345 I347 L362 L366 G367 H368	N345-N364 HydrophobicContact CB-CB 4.14Å; N345-N364 PolarHBondContact ND2-ND2 3.47Å; N345-N364 WeakPolarHBondContact O-CB 3.27Å; N345-N364 PolarHBondContact O-N 3.33Å; N345-N364 WeakPolarHBondContact OD1-CB 3.45Å; N345-N364 PolarHBondContact OD1-ND2 2.73Å; I347-N364 HydrophobicContact CD1-CB 4.09Å; I347-N364 HydrophobicContact CG1-CB 4.08Å; L362-N364 PolarHBondContact O-N 2.8Å; N364-L366 PolarHBondContact O-N 3.48Å; N364-G367 PolarHBondContact O-N 3.5Å; N364-G367 PolarHBondContact OD1-N 3.47Å; N364-H368 PolarHBondContact ND2-N 3.03Å; N364-H368 PolarHBondContact ND2-O 3.31Å; N364-H368 WeakPolarHBondContact OD1-CB 3.35Å; N364-H368 PolarHBondContact OD1-CD2 3.36Å; N364-H368 PolarHBondContact OD1-N 2.79Å
365	S	89.1	Confident	93	Very high	113 Å²	113	54.3 Å²	54.3	79%	0.79	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.6	-177.3	56.2	0	0	0	0	114.5	T363	T363-S365 PolarHBondContact O-N 3.27Å
366	L	88.5	Confident	93.1	Very high	48 Å²	48	51.8 Å²	51.8	25%	0.251	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	0.8	177.8	-63.5	175.6	0	0	0	113.9	N364 H368 C382 L388 K391 M407	N364-L366 PolarHBondContact O-N 3.48Å; L366-H368 PolarHBondContact O-N 2.95Å; L366-C382 VanDerWaalsContact O-CB 3.23Å; L366-C382 WeakPolarHBondContact O-CB 3.39Å; L366-L388 HydrophobicContact CD2-CD1 4.37Å; L366-K391 HydrophobicContact CD1-CD 4.02Å; L366-K391 HydrophobicContact CD2-CD 4.2Å; L366-M407 HydrophobicContact CD1-CE 3.51Å; L366-M407 HydrophobicContact CD1-SD 3.8Å
367	G	90.1	Very high	93.3	Very high	28 Å²	28	49.3 Å²	49.3	29%	0.289	28%	0.28	S	S	.	.			trans	63.1	41.6	177.1	0	0	0	0	0	114.3	N364 T369	N364-G367 PolarHBondContact O-N 3.5Å; N364-G367 PolarHBondContact OD1-N 3.47Å; G367-T369 WeakPolarHBondContact O-CG2 3.3Å; G367-T369 PolarHBondContact O-N 3.3Å
368	H	93.4	Very high	93.5	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.065	27%	0.271	C	S	.	.			trans	-57.3	131.1	178.5	-57.1	-63.5	0	0	0	111.7	M328 I347 N364 L366 L380 A381 C382 Q393	M328-H368 HydrophobicContact CE-CB 4.39Å; M328-H368 WeakPolarHBondContact CE-O 3.27Å; I347-H368 HydrophobicContact CD1-CB 4.04Å; N364-H368 PolarHBondContact ND2-N 3.03Å; N364-H368 PolarHBondContact ND2-O 3.31Å; N364-H368 WeakPolarHBondContact OD1-CB 3.35Å; N364-H368 PolarHBondContact OD1-CD2 3.36Å; N364-H368 PolarHBondContact OD1-N 2.79Å; L366-H368 PolarHBondContact O-N 2.95Å; H368-L380 HydrophobicContact CB-CB 4.34Å; H368-A381 CarbonylContact C-O 3.59Å; H368-A381 WeakPolarHBondContact CA-O 3.35Å; H368-C382 PolarHBondContact ND1-N 2.78Å; H368-Q393 PolarHBondContact NE2-OE1 3.08Å
369	T	92.6	Very high	93.7	Very high	58 Å²	58	41.3 Å²	41.3	36%	0.356	24%	0.243	S	C	.	.			trans	-112.2	-13.2	-174.9	62.4	0	0	0	0	113.3	R326 G367 A381 P383	R326-T369 PolarHBondContact NH2-O 3.05Å; G367-T369 WeakPolarHBondContact O-CG2 3.3Å; G367-T369 PolarHBondContact O-N 3.3Å; T369-A381 PolarHBondContact N-O 3.04Å; T369-P383 HydrophobicContact CG2-CG 4.43Å
370	M	93.6	Very high	93.8	Very high	27 Å²	27	38 Å²	38	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.4	179.3	-67.9	164.6	-76.7	0	0	110	L380 A381 V416 L419	M370-L380 WeakPolarHBondContact O-CA 3.34Å; M370-A381 HydrophobicContact CE-CB 4.27Å; M370-A381 PolarHBondContact N-O 2.77Å; M370-A381 PolarHBondContact O-N 3.14Å; M370-V416 HydrophobicContact CE-CB 3.95Å; M370-V416 HydrophobicContact CE-CG1 3.71Å; M370-V416 HydrophobicContact SD-CG1 4.09Å; M370-L419 HydrophobicContact CB-CD2 3.61Å; M370-L419 HydrophobicContact CB-CG 4.31Å
371	A	96.1	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.5	175.9	0	0	0	0	0	111	Q315 M328 V336 L379 L380	Q315-A371 WeakPolarHBondContact CG-O 3.1Å; Q315-A371 PolarHBondContact NE2-O 2.92Å; M328-A371 HydrophobicContact CB-CB 3.71Å; M328-A371 HydrophobicContact CE-CB 4.06Å; M328-A371 HydrophobicContact SD-CB 4.5Å; V336-A371 HydrophobicContact CB-CB 4.17Å; V336-A371 HydrophobicContact CG1-CB 3.8Å; V336-A371 HydrophobicContact CG2-CB 4.41Å; A371-L379 CarbonylContact C-O 3.55Å; A371-L379 WeakPolarHBondContact CA-O 3.29Å; A371-L380 HydrophobicContact CB-CD2 3.5Å
372	D	97.2	Very high	94	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.1	162.6	-166.1	14.9	0	0	0	110	M329 L379 L419 C420 L421	M329-D372 VanDerWaalsContact CE-OD1 3.26Å; M329-D372 WeakPolarHBondContact CE-OD1 3.22Å; D372-L379 PolarHBondContact N-O 3.49Å; D372-L379 PolarHBondContact O-N 3.1Å; D372-L419 HydrophobicContact CB-CD1 3.53Å; D372-C420 VanDerWaalsContact OD2-CA 3.25Å; D372-C420 WeakPolarHBondContact OD2-CA 3.44Å; D372-L421 HydrophobicContact CB-CD1 4.38Å; D372-L421 PolarHBondContact OD2-N 2.66Å
373	L	96.1	Very high	94	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	110.4	-168.4	-179.9	64.2	0	0	0	111.1	N331 V333 V336 V349 F351 V378	N331-L373 PolarHBondContact ND2-O 2.89Å; V333-L373 HydrophobicContact CG1-CG 4.36Å; V336-L373 HydrophobicContact CG2-CB 4.03Å; V336-L373 HydrophobicContact CG2-CD2 4.12Å; V349-L373 HydrophobicContact CG1-CD1 3.83Å; V349-L373 HydrophobicContact CG1-CD2 4.3Å; F351-L373 HydrophobicContact CE1-CD1 3.75Å; F351-L373 HydrophobicContact CZ-CD1 4Å; L373-V378 HydrophobicContact CD1-CG2 3.82Å
374	S	94.9	Very high	94	Very high	19 Å²	19	28.4 Å²	28.4	13%	0.133	17%	0.171	C	C	.	.			trans	-103.6	-178.4	170.9	76.8	0	0	0	0	111.2	E376 A377	S374-E376 PolarHBondContact OG-N 3.12Å; S374-A377 PolarHBondContact N-O 3.15Å; S374-A377 PolarHBondContact OG-N 2.93Å; S374-A377 PolarHBondContact OG-O 2.97Å
375	Q	92.9	Very high	93.9	Very high	130 Å²	130	32 Å²	32	61%	0.607	19%	0.193	S	C	*	.	S	Bend	trans	-75.6	-12	168.4	-66.7	178.9	-7.9	0	0	112.8	V333 F397	V333-Q375 HydrophobicContact CG1-CG 4.09Å; V333-Q375 HydrophobicContact CG2-CG 4.05Å; Q375-F397 VanDerWaalsContact O-CE2 3.25Å; Q375-F397 WeakPolarHBondContact O-CE2 3.27Å; Q375-F397 WeakPolarHBondContact O-CZ 3.5Å
376	E	93.9	Very high	93.8	Very high	33 Å²	33	35 Å²	35	15%	0.154	20%	0.2	C	C	.	.	S	Bend	trans	-98.1	-43.2	-179.4	-61.3	178.3	156.5	0	0	112.2	S374 F397 S398 Q423 G424 V440	S374-E376 PolarHBondContact OG-N 3.12Å; E376-F397 PolarHBondContact O-N 3.41Å; E376-S398 WeakPolarHBondContact CA-OG 3.3Å; E376-S398 WeakPolarHBondContact CB-OG 3.46Å; E376-S398 WeakPolarHBondContact O-CB 3.45Å; E376-S398 PolarHBondContact O-N 2.8Å; E376-S398 PolarHBondContact O-OG 2.87Å; E376-Q423 PolarHBondContact OE1-NE2 3.09Å; E376-G424 PolarHBondContact OE1-N 3.21Å; E376-G424 WeakPolarHBondContact OE2-CA 3.3Å; E376-G424 PolarHBondContact OE2-N 2.87Å; E376-V440 HydrophobicContact CB-CG2 4.33Å
377	A	95.5	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.			trans	-151.8	159.4	-167.3	0	0	0	0	0	113.6	S374 L395 H396 F397 L421 V440	S374-A377 PolarHBondContact N-O 3.15Å; S374-A377 PolarHBondContact OG-N 2.93Å; S374-A377 PolarHBondContact OG-O 2.97Å; A377-L395 CarbonylContact C-O 3.03Å; A377-L395 VanDerWaalsContact CA-O 3.24Å; A377-L395 WeakPolarHBondContact CA-O 3.38Å; A377-H396 HydrophobicContact CB-CB 4.39Å; A377-F397 VanDerWaalsContact C-CE1 3.47Å; A377-F397 VanDerWaalsContact CA-CE1 3.49Å; A377-L421 VanDerWaalsContact O-CD1 3.3Å; A377-L421 WeakPolarHBondContact O-CD1 3.33Å; A377-V440 HydrophobicContact CB-CG2 3.62Å
378	V	96.9	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.9	160.4	-164	0	0	0	0	108	V349 M360 L373 L380 C394 L395 F397	V349-V378 HydrophobicContact CG1-CG2 4.16Å; V349-V378 HydrophobicContact CG2-CG1 4.33Å; V349-V378 HydrophobicContact CG2-CG2 4.32Å; M360-V378 HydrophobicContact CE-CG2 3.53Å; L373-V378 HydrophobicContact CD1-CG2 3.82Å; V378-L380 HydrophobicContact CG1-CD2 4.12Å; V378-L380 HydrophobicContact CG1-CG 4.34Å; V378-C394 CarbonylContact O-C 3.57Å; V378-C394 WeakPolarHBondContact O-CA 3.41Å; V378-C394 PolarHBondContact O-SG 3.43Å; V378-L395 HydrophobicContact CB-CB 4.3Å; V378-L395 HydrophobicContact CB-CD1 4.31Å; V378-L395 PolarHBondContact N-O 3.2Å; V378-L395 PolarHBondContact O-N 2.9Å; V378-F397 HydrophobicContact CG2-CD1 4.04Å; V378-F397 HydrophobicContact CG2-CE1 4.01Å
379	L	97.2	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.5	175.3	-169.1	66.8	0	0	0	108.8	A371 D372 L392 C394 L419 L421 A426	A371-L379 CarbonylContact C-O 3.55Å; A371-L379 WeakPolarHBondContact CA-O 3.29Å; D372-L379 PolarHBondContact N-O 3.49Å; D372-L379 PolarHBondContact O-N 3.1Å; L379-L392 HydrophobicContact CD1-CD1 3.78Å; L379-L392 HydrophobicContact CD1-CD2 4.36Å; L379-L392 HydrophobicContact CD1-CG 4.02Å; L379-L392 HydrophobicContact CD2-CD1 4.34Å; L379-L392 HydrophobicContact CG-CD1 3.96Å; L379-C394 HydrophobicContact CD1-CB 3.8Å; L379-L419 HydrophobicContact CB-CD1 4.26Å; L379-L419 HydrophobicContact CD2-CB 4.21Å; L379-L419 HydrophobicContact CD2-CD1 3.86Å; L379-L419 HydrophobicContact CG-CD1 4.11Å; L379-L421 HydrophobicContact CB-CD1 3.88Å; L379-L421 HydrophobicContact CB-CD2 4.05Å; L379-L421 HydrophobicContact CB-CG 3.92Å; L379-L421 HydrophobicContact CD2-CD2 4.06Å; L379-L421 HydrophobicContact CD2-CG 4.13Å; L379-A426 HydrophobicContact CD1-CB 4.29Å; L379-A426 HydrophobicContact CD2-CB 3.75Å
380	L	96.9	Very high	94	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.3	-178.4	-60.4	-179.5	0	0	0	110.2	I347 L362 H368 M370 A371 V378 Q393 L395	I347-L380 HydrophobicContact CD1-CD1 4.15Å; I347-L380 HydrophobicContact CD1-CD2 4.36Å; L362-L380 HydrophobicContact CD1-CD1 4.06Å; H368-L380 HydrophobicContact CB-CB 4.34Å; M370-L380 WeakPolarHBondContact O-CA 3.34Å; A371-L380 HydrophobicContact CB-CD2 3.5Å; V378-L380 HydrophobicContact CG1-CD2 4.12Å; V378-L380 HydrophobicContact CG1-CG 4.34Å; L380-Q393 HydrophobicContact CB-CB 4.44Å; L380-Q393 PolarHBondContact N-O 2.88Å; L380-Q393 PolarHBondContact O-N 2.91Å; L380-L395 HydrophobicContact CD1-CD1 3.91Å; L380-L395 HydrophobicContact CG-CD1 4.26Å
381	A	96.1	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.3	172.5	0	0	0	0	0	113.1	H368 T369 M370 K391 L392 V416 L419	H368-A381 CarbonylContact C-O 3.59Å; H368-A381 WeakPolarHBondContact CA-O 3.35Å; T369-A381 PolarHBondContact N-O 3.04Å; M370-A381 HydrophobicContact CE-CB 4.27Å; M370-A381 PolarHBondContact N-O 2.77Å; M370-A381 PolarHBondContact O-N 3.14Å; A381-K391 VanDerWaalsContact CA-O 3.31Å; A381-K391 WeakPolarHBondContact CA-O 3.36Å; A381-L392 HydrophobicContact CB-CD1 4.23Å; A381-V416 HydrophobicContact CB-CB 4.04Å; A381-V416 HydrophobicContact CB-CG1 3.88Å; A381-V416 HydrophobicContact CB-CG2 4.01Å; A381-L419 HydrophobicContact CB-CD2 3.47Å; A381-L419 VanDerWaalsContact CB-CD2 3.47Å
382	C	94.1	Very high	94	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.5	168.1	58.3	0	0	0	0	110.8	L366 H368 S390 K391	L366-C382 VanDerWaalsContact O-CB 3.23Å; L366-C382 WeakPolarHBondContact O-CB 3.39Å; H368-C382 PolarHBondContact ND1-N 2.78Å; C382-S390 PolarHBondContact O-OG 2.91Å; C382-K391 PolarHBondContact N-O 3.31Å; C382-K391 VanDerWaalsContact N-O 3.13Å; C382-K391 PolarHBondContact O-N 3Å
383	P	93.3	Very high	94	Very high	48 Å²	48	41.3 Å²	41.3	31%	0.312	23%	0.229	S	C	.	.			trans	-66.3	169.6	167.3	33.2	-36.4	0	0	0	110.5	T369	T369-P383 HydrophobicContact CG2-CG 4.43Å
384	S	92.9	Very high	94	Very high	45 Å²	45	41.1 Å²	41.1	32%	0.315	23%	0.228	S	C	.	.			trans	-69.8	155.6	166.9	56.6	0	0	0	0	112.1	L388 D415	S384-L388 CarbonylContact C-O 3.53Å; S384-L388 VanDerWaalsContact CA-O 3.31Å; S384-L388 WeakPolarHBondContact CA-O 3.23Å; S384-L388 WeakPolarHBondContact CB-O 3.33Å; S384-D415 WeakPolarHBondContact CB-OD1 3.49Å; S384-D415 PolarHBondContact N-OD1 2.91Å; S384-D415 PolarHBondContact OG-OD1 3.47Å
385	T	91.1	Very high	94	Very high	85 Å²	85	41 Å²	41	52%	0.521	23%	0.226	S	C	.	.			trans	-124.1	174.7	165.6	68.4	0	0	0	0	108.7	D387 L388	T385-D387 PolarHBondContact O-N 2.95Å; T385-L388 PolarHBondContact N-O 2.92Å; T385-L388 PolarHBondContact O-N 3.45Å; T385-L388 VanDerWaalsContact O-O 3.1Å; T385-L388 PolarHBondContact OG1-N 3.25Å; T385-L388 VanDerWaalsContact OG1-N 3.16Å
386	D	87.1	Confident	94.2	Very high	176 Å²	176	36.2 Å²	36.2	94%	0.941	20%	0.203	S	C	*	.	S	Bend	trans	-60	-28.8	179.4	-57.9	-50.2	0	0	0	113
387	D	86.9	Confident	94.1	Very high	155 Å²	155	35.2 Å²	35.2	83%	0.829	20%	0.198	S	C	*	.	S	Bend	trans	-98	-24.6	179.1	-64.7	-53	0	0	0	114.4	T385	T385-D387 PolarHBondContact O-N 2.95Å
388	L	90.8	Very high	94	Very high	83 Å²	83	38 Å²	38	44%	0.435	22%	0.218	S	C	.	.	S	Bend	trans	-127.3	130	-170.5	-61.8	177.4	0	0	0	112.4	L366 S384 T385	L366-L388 HydrophobicContact CD2-CD1 4.37Å; S384-L388 CarbonylContact C-O 3.53Å; S384-L388 VanDerWaalsContact CA-O 3.31Å; S384-L388 WeakPolarHBondContact CA-O 3.23Å; S384-L388 WeakPolarHBondContact CB-O 3.33Å; T385-L388 PolarHBondContact N-O 2.92Å; T385-L388 PolarHBondContact O-N 3.45Å; T385-L388 VanDerWaalsContact O-O 3.1Å; T385-L388 PolarHBondContact OG1-N 3.25Å; T385-L388 VanDerWaalsContact OG1-N 3.16Å
389	A	93	Very high	93.8	Very high	31 Å²	31	38.6 Å²	38.6	26%	0.256	22%	0.222	S	C	.	.			trans	-59.1	154.9	166.7	0	0	0	0	0	111.6	K391 D409	A389-K391 WeakPolarHBondContact O-CG 3.49Å; A389-K391 PolarHBondContact O-N 3.02Å; A389-D409 HydrophobicContact CB-CB 4.29Å
390	S	96.5	Very high	93.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	27%	0.266	C	S	.	.			trans	-62.5	128.8	172.8	-176.9	0	0	0	0	109.2	C382 L410 E414 V416	C382-S390 PolarHBondContact O-OG 2.91Å; S390-L410 WeakPolarHBondContact O-CB 3.24Å; S390-L410 PolarHBondContact O-N 3.1Å; S390-E414 VanDerWaalsContact CB-O 3.32Å; S390-E414 WeakPolarHBondContact CB-O 3.32Å; S390-V416 PolarHBondContact OG-N 2.86Å; S390-V416 VanDerWaalsContact OG-N 3.12Å
391	K	95	Very high	93.3	Very high	27 Å²	27	52.9 Å²	52.9	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140	-175.4	-53.3	-179.2	173.1	-84	0	111.2	L366 A381 C382 A389 M407 D409	L366-K391 HydrophobicContact CD1-CD 4.02Å; L366-K391 HydrophobicContact CD2-CD 4.2Å; A381-K391 VanDerWaalsContact CA-O 3.31Å; A381-K391 WeakPolarHBondContact CA-O 3.36Å; C382-K391 PolarHBondContact N-O 3.31Å; C382-K391 VanDerWaalsContact N-O 3.13Å; C382-K391 PolarHBondContact O-N 3Å; A389-K391 WeakPolarHBondContact O-CG 3.49Å; A389-K391 PolarHBondContact O-N 3.02Å; K391-M407 HydrophobicContact CB-CG 4.39Å; K391-M407 HydrophobicContact CB-SD 4.42Å; K391-M407 HydrophobicContact CD-SD 3.9Å; K391-D409 IonicContact NZ-OD1 2.78Å; K391-D409 PolarHBondContact NZ-OD1 2.65Å; K391-D409 IonicContact NZ-OD2 3.19Å; K391-D409 PolarHBondContact NZ-OD2 2.85Å
392	L	96.4	Very high	93.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.8	167.7	-177.2	77.1	0	0	0	108.1	L379 A381 W406 M407 V408 L410 V428 F438	L379-L392 HydrophobicContact CD1-CD1 3.78Å; L379-L392 HydrophobicContact CD1-CD2 4.36Å; L379-L392 HydrophobicContact CD1-CG 4.02Å; L379-L392 HydrophobicContact CD2-CD1 4.34Å; L379-L392 HydrophobicContact CG-CD1 3.96Å; A381-L392 HydrophobicContact CB-CD1 4.23Å; L392-W406 HydrophobicContact CD2-CH2 3.99Å; L392-W406 HydrophobicContact CD2-CZ3 4.13Å; L392-M407 CarbonylContact O-C 3.49Å; L392-M407 VanDerWaalsContact O-CA 3.3Å; L392-M407 WeakPolarHBondContact O-CA 3.44Å; L392-V408 HydrophobicContact CB-CG1 3.9Å; L392-V408 HydrophobicContact CD2-CG1 4.13Å; L392-V408 PolarHBondContact N-O 3.07Å; L392-V408 PolarHBondContact O-N 3.44Å; L392-L410 HydrophobicContact CB-CD1 4.39Å; L392-V428 HydrophobicContact CD1-CG2 3.73Å; L392-V428 HydrophobicContact CD2-CG2 3.72Å; L392-V428 HydrophobicContact CG-CG2 4.37Å; L392-F438 HydrophobicContact CD2-CD2 3.93Å; L392-F438 HydrophobicContact CD2-CE1 4.45Å; L392-F438 HydrophobicContact CD2-CE2 3.7Å; L392-F438 HydrophobicContact CD2-CG 4.42Å; L392-F438 HydrophobicContact CD2-CZ 3.98Å
393	Q	96.2	Very high	92.9	Very high	23 Å²	23	64.2 Å²	64.2	11%	0.107	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138	178.4	-175.2	-167.5	33.2	0	0	108.8	H368 L380 L395 E405 W406 M407	H368-Q393 PolarHBondContact NE2-OE1 3.08Å; L380-Q393 HydrophobicContact CB-CB 4.44Å; L380-Q393 PolarHBondContact N-O 2.88Å; L380-Q393 PolarHBondContact O-N 2.91Å; Q393-L395 HydrophobicContact CG-CD1 4.38Å; Q393-E405 HydrophobicContact CG-CG 4.41Å; Q393-E405 PolarHBondContact NE2-OE1 3.43Å; Q393-W406 WeakPolarHBondContact CA-O 3.16Å; Q393-M407 HydrophobicContact CB-CE 4.04Å; Q393-M407 HydrophobicContact CB-CG 4.25Å; Q393-M407 HydrophobicContact CG-CE 3.75Å
394	C	96.7	Very high	92.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.4	177	-170.1	0	0	0	0	110.6	V378 L379 E405 W406	V378-C394 CarbonylContact O-C 3.57Å; V378-C394 WeakPolarHBondContact O-CA 3.41Å; V378-C394 PolarHBondContact O-SG 3.43Å; L379-C394 HydrophobicContact CD1-CB 3.8Å; C394-E405 WeakPolarHBondContact O-CA 3.48Å; C394-W406 HydrophobicContact CB-CD2 3.92Å; C394-W406 HydrophobicContact CB-CE3 4.48Å; C394-W406 HydrophobicContact CB-CG 4.45Å; C394-W406 HydrophobicContact CB-CH2 4.03Å; C394-W406 HydrophobicContact CB-CZ2 3.39Å; C394-W406 PolarHBondContact N-O 2.82Å; C394-W406 PolarHBondContact O-N 3.14Å
395	L	95.7	Very high	92.9	Very high	16 Å²	16	69 Å²	69	8%	0.084	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	88.9	175.1	-58.9	93.8	0	0	0	107.9	L362 A377 V378 L380 Q393 F397 K404	L362-L395 HydrophobicContact CD1-CD1 4.2Å; L362-L395 HydrophobicContact CD1-CD2 3.78Å; L362-L395 HydrophobicContact CD2-CD2 3.79Å; L362-L395 HydrophobicContact CG-CD2 4.46Å; A377-L395 CarbonylContact C-O 3.03Å; A377-L395 VanDerWaalsContact CA-O 3.24Å; A377-L395 WeakPolarHBondContact CA-O 3.38Å; V378-L395 HydrophobicContact CB-CB 4.3Å; V378-L395 HydrophobicContact CB-CD1 4.31Å; V378-L395 PolarHBondContact N-O 3.2Å; V378-L395 PolarHBondContact O-N 2.9Å; L380-L395 HydrophobicContact CD1-CD1 3.91Å; L380-L395 HydrophobicContact CG-CD1 4.26Å; Q393-L395 HydrophobicContact CG-CD1 4.38Å; L395-F397 PolarHBondContact O-N 3.08Å; L395-K404 CarbonylContact C-O 3.51Å; L395-K404 WeakPolarHBondContact CA-O 3.45Å
396	H	95.4	Very high	93.1	Very high	29 Å²	29	66.8 Å²	66.8	13%	0.134	34%	0.339	C	S	.	.			trans	-78.8	69.3	-179.8	-178.5	-143.8	0	0	0	110.3	A377 S398 S399 K404	A377-H396 HydrophobicContact CB-CB 4.39Å; H396-S398 VanDerWaalsContact C-N 3.25Å; H396-S398 PolarHBondContact CD2-OG 3.04Å; H396-S398 PolarHBondContact NE2-OG 2.94Å; H396-S398 PolarHBondContact O-N 2.82Å; H396-S399 PolarHBondContact CE1-OG 2.78Å; H396-S399 VanDerWaalsContact ND1-CB 3.33Å; H396-S399 WeakPolarHBondContact ND1-CB 3.39Å; H396-S399 PolarHBondContact ND1-OG 3.36Å; H396-S399 VanDerWaalsContact O-CB 3.32Å; H396-S399 WeakPolarHBondContact O-CB 3.37Å; H396-S399 PolarHBondContact O-N 2.86Å; H396-K404 PolarHBondContact N-O 2.82Å
397	F	93.6	Very high	93.6	Very high	12 Å²	12	62 Å²	62	5%	0.053	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.9	-173.8	61.7	-99.3	0	0	0	113.2	F351 V356 H357 M360 Q375 E376 A377 V378 L395 S399 K404	F351-F397 AromaticContact CE1-CE1 3.88Å; F351-F397 HydrophobicContact CE1-CE1 3.88Å; F351-F397 HydrophobicContact CE1-CE2 4.15Å; F351-F397 AromaticContact CE1-CZ 3.51Å; F351-F397 HydrophobicContact CE1-CZ 3.51Å; F351-F397 HydrophobicContact CZ-CD1 4.27Å; F351-F397 AromaticContact CZ-CE1 3.71Å; F351-F397 HydrophobicContact CZ-CE1 3.71Å; F351-F397 HydrophobicContact CZ-CE2 4.26Å; F351-F397 AromaticContact CZ-CZ 3.72Å; F351-F397 HydrophobicContact CZ-CZ 3.72Å; V356-F397 HydrophobicContact CG1-CE2 4.07Å; V356-F397 HydrophobicContact CG1-CZ 4.44Å; H357-F397 HydrophobicContact CB-CD2 3.95Å; H357-F397 HydrophobicContact CB-CE2 4.09Å; H357-F397 AromaticContact CD2-CD2 3.66Å; H357-F397 AromaticContact CG-CD2 3.9Å; M360-F397 HydrophobicContact CE-CD1 4.13Å; Q375-F397 VanDerWaalsContact O-CE2 3.25Å; Q375-F397 WeakPolarHBondContact O-CE2 3.27Å; Q375-F397 WeakPolarHBondContact O-CZ 3.5Å; E376-F397 PolarHBondContact O-N 3.41Å; A377-F397 VanDerWaalsContact C-CE1 3.47Å; A377-F397 VanDerWaalsContact CA-CE1 3.49Å; V378-F397 HydrophobicContact CG2-CD1 4.04Å; V378-F397 HydrophobicContact CG2-CE1 4.01Å; L395-F397 PolarHBondContact O-N 3.08Å; F397-S399 PolarHBondContact O-N 2.87Å; F397-K404 PolarHBondContact O-NZ 2.8Å
398	S	92.2	Very high	94	Very high	59 Å²	59	56.1 Å²	56.1	41%	0.413	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.5	174.9	67	0	0	0	0	114.5	E376 H396	E376-S398 WeakPolarHBondContact CA-OG 3.3Å; E376-S398 WeakPolarHBondContact CB-OG 3.46Å; E376-S398 WeakPolarHBondContact O-CB 3.45Å; E376-S398 PolarHBondContact O-N 2.8Å; E376-S398 PolarHBondContact O-OG 2.87Å; H396-S398 VanDerWaalsContact C-N 3.25Å; H396-S398 PolarHBondContact CD2-OG 3.04Å; H396-S398 PolarHBondContact NE2-OG 2.94Å; H396-S398 PolarHBondContact O-N 2.82Å
399	S	92.8	Very high	94.2	Very high	12 Å²	12	56.2 Å²	56.2	8%	0.084	28%	0.282	C	S	.	.			trans	-58.9	144.6	-178.1	-150.3	0	0	0	0	112.2	H396 F397 D401 K404	H396-S399 PolarHBondContact CE1-OG 2.78Å; H396-S399 VanDerWaalsContact ND1-CB 3.33Å; H396-S399 WeakPolarHBondContact ND1-CB 3.39Å; H396-S399 PolarHBondContact ND1-OG 3.36Å; H396-S399 VanDerWaalsContact O-CB 3.32Å; H396-S399 WeakPolarHBondContact O-CB 3.37Å; H396-S399 PolarHBondContact O-N 2.86Å; F397-S399 PolarHBondContact O-N 2.87Å; S399-D401 VanDerWaalsContact CB-OD1 3.24Å; S399-D401 WeakPolarHBondContact CB-OD1 3.47Å; S399-D401 PolarHBondContact OG-OD1 2.88Å; S399-K404 WeakPolarHBondContact O-CE 3.46Å; S399-K404 PolarHBondContact O-NZ 3.17Å
400	W	91.6	Very high	94.3	Very high	245 Å²	245	55.2 Å²	55.2	93%	0.928	27%	0.273	S	S	*	.	S	Bend	trans	-86	-10.4	175.3	57.4	-95.7	0	0	0	112.9
401	D	92.8	Very high	94.2	Very high	58 Å²	58	58.2 Å²	58.2	31%	0.31	29%	0.292	S	S	.	.	S	Bend	trans	-93	-176.2	178.8	88.7	-59.2	0	0	0	112.6	S399 N403	S399-D401 VanDerWaalsContact CB-OD1 3.24Å; S399-D401 WeakPolarHBondContact CB-OD1 3.47Å; S399-D401 PolarHBondContact OG-OD1 2.88Å; D401-N403 WeakPolarHBondContact OD2-CB 3.32Å; D401-N403 PolarHBondContact OD2-N 2.86Å
402	T	90.4	Very high	93.9	Very high	126 Å²	126	66.5 Å²	66.5	77%	0.773	33%	0.331	S	S	*	.	S	Bend	trans	-81.2	-27.3	179.9	53.4	0	0	0	0	113.7	K404	T402-K404 PolarHBondContact O-N 2.96Å
403	N	90.3	Very high	93.4	Very high	117 Å²	117	69.5 Å²	69.5	63%	0.626	36%	0.362	S	S	*	.			trans	-98.5	69.3	-166.3	-62.8	3.3	0	0	0	110.7	D401 E405	D401-N403 WeakPolarHBondContact OD2-CB 3.32Å; D401-N403 PolarHBondContact OD2-N 2.86Å; N403-E405 PolarHBondContact O-N 3Å
404	K	92.6	Very high	93.3	Very high	89 Å²	89	68.9 Å²	68.9	39%	0.387	36%	0.359	S	S	.	.			trans	-72.7	12.2	-176.2	-57.4	-163.6	168.7	-145.8	0	115.2	L395 H396 F397 S399 T402	L395-K404 CarbonylContact C-O 3.51Å; L395-K404 WeakPolarHBondContact CA-O 3.45Å; H396-K404 PolarHBondContact N-O 2.82Å; F397-K404 PolarHBondContact O-NZ 2.8Å; S399-K404 WeakPolarHBondContact O-CE 3.46Å; S399-K404 PolarHBondContact O-NZ 3.17Å; T402-K404 PolarHBondContact O-N 2.96Å
405	E	94.4	Very high	93.2	Very high	104 Å²	104	70.3 Å²	70.3	49%	0.486	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.1	-178.9	-169.4	-175.1	152.7	0	0	111	Q393 C394 N403	Q393-E405 HydrophobicContact CG-CG 4.41Å; Q393-E405 PolarHBondContact NE2-OE1 3.43Å; C394-E405 WeakPolarHBondContact O-CA 3.48Å; N403-E405 PolarHBondContact O-N 3Å
406	W	95.8	Very high	93.2	Very high	39 Å²	39	69.7 Å²	69.7	15%	0.148	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.3	164.3	59.4	-91.8	0	0	0	111.1	L392 Q393 C394 V408 F438 V440 G442	L392-W406 HydrophobicContact CD2-CH2 3.99Å; L392-W406 HydrophobicContact CD2-CZ3 4.13Å; Q393-W406 WeakPolarHBondContact CA-O 3.16Å; C394-W406 HydrophobicContact CB-CD2 3.92Å; C394-W406 HydrophobicContact CB-CE3 4.48Å; C394-W406 HydrophobicContact CB-CG 4.45Å; C394-W406 HydrophobicContact CB-CH2 4.03Å; C394-W406 HydrophobicContact CB-CZ2 3.39Å; C394-W406 PolarHBondContact N-O 2.82Å; C394-W406 PolarHBondContact O-N 3.14Å; W406-V408 HydrophobicContact CE3-CG1 4.48Å; W406-V408 HydrophobicContact CZ3-CB 4.42Å; W406-V408 HydrophobicContact CZ3-CG1 3.83Å; W406-F438 HydrophobicContact CH2-CB 4.17Å; W406-F438 HydrophobicContact CH2-CD1 4.23Å; W406-F438 HydrophobicContact CH2-CG 4.25Å; W406-F438 HydrophobicContact CZ3-CD1 4.41Å; W406-V440 PolarHBondContact NE1-O 2.91Å; W406-G442 VanDerWaalsContact CD2-CA 3.46Å; W406-G442 VanDerWaalsContact CE2-N 3.3Å
407	M	96.1	Very high	93.2	Very high	77 Å²	77	72 Å²	72	38%	0.379	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.4	179.8	-168.4	-178.7	-66.4	0	0	109.8	L366 K391 L392 Q393	L366-M407 HydrophobicContact CD1-CE 3.51Å; L366-M407 HydrophobicContact CD1-SD 3.8Å; K391-M407 HydrophobicContact CB-CG 4.39Å; K391-M407 HydrophobicContact CB-SD 4.42Å; K391-M407 HydrophobicContact CD-SD 3.9Å; L392-M407 CarbonylContact O-C 3.49Å; L392-M407 VanDerWaalsContact O-CA 3.3Å; L392-M407 WeakPolarHBondContact O-CA 3.44Å; Q393-M407 HydrophobicContact CB-CE 4.04Å; Q393-M407 HydrophobicContact CB-CG 4.25Å; Q393-M407 HydrophobicContact CG-CE 3.75Å
408	V	95.9	Very high	93.3	Very high	30 Å²	30	71.5 Å²	71.5	18%	0.182	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.6	177.2	68.1	0	0	0	0	111	L392 W406 F438	L392-V408 HydrophobicContact CB-CG1 3.9Å; L392-V408 HydrophobicContact CD2-CG1 4.13Å; L392-V408 PolarHBondContact N-O 3.07Å; L392-V408 PolarHBondContact O-N 3.44Å; W406-V408 HydrophobicContact CE3-CG1 4.48Å; W406-V408 HydrophobicContact CZ3-CB 4.42Å; W406-V408 HydrophobicContact CZ3-CG1 3.83Å; V408-F438 HydrophobicContact CG1-CE1 3.84Å; V408-F438 HydrophobicContact CG1-CZ 4.17Å
409	D	95.9	Very high	93.5	Very high	85 Å²	85	68.7 Å²	68.7	46%	0.455	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.7	178.1	-70.7	17.2	0	0	0	109.8	A389 K391	A389-D409 HydrophobicContact CB-CB 4.29Å; K391-D409 IonicContact NZ-OD1 2.78Å; K391-D409 PolarHBondContact NZ-OD1 2.65Å; K391-D409 IonicContact NZ-OD2 3.19Å; K391-D409 PolarHBondContact NZ-OD2 2.85Å
410	L	94.4	Very high	93.7	Very high	11 Å²	11	68.1 Å²	68.1	6%	0.058	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-80.3	158.7	172.6	-82.5	64.6	0	0	0	110.7	S390 L392 E414 V416 T430	S390-L410 WeakPolarHBondContact O-CB 3.24Å; S390-L410 PolarHBondContact O-N 3.1Å; L392-L410 HydrophobicContact CB-CD1 4.39Å; L410-E414 HydrophobicContact CB-CB 4.38Å; L410-E414 WeakPolarHBondContact CB-O 3.39Å; L410-E414 HydrophobicContact CD2-CG 4.25Å; L410-V416 HydrophobicContact CD1-CG2 4.27Å; L410-V416 HydrophobicContact CD2-CG2 3.66Å; L410-T430 HydrophobicContact CD2-CG2 3.68Å
411	P	93.8	Very high	93.9	Very high	64 Å²	64	56.8 Å²	56.8	42%	0.416	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-54.9	154.4	172.6	-27.1	36.4	0	0	0	113.9	G413 E414	P411-G413 PolarHBondContact O-N 3.41Å; P411-E414 HydrophobicContact CB-CB 4.29Å; P411-E414 WeakPolarHBondContact CD-OE2 3.5Å; P411-E414 WeakPolarHBondContact CG-OE2 3.29Å; P411-E414 WeakPolarHBondContact O-CB 3.48Å; P411-E414 PolarHBondContact O-N 3.3Å
412	Q	88.4	Confident	93.9	Very high	201 Å²	201	54.4 Å²	54.4	94%	0.939	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	126.7	179.3	-168.5	175.1	12.7	0	0	111.3	E414	Q412-E414 VanDerWaalsContact C-N 3.33Å
413	G	86.5	Confident	94.1	Very high	63 Å²	63	54.1 Å²	54.1	65%	0.649	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-2.5	-174	0	0	0	0	0	115.2	P411 S431	P411-G413 PolarHBondContact O-N 3.41Å; G413-S431 PolarHBondContact O-OG 3.02Å
414	E	93.9	Very high	94.2	Very high	9 Å²	9	49.6 Å²	49.6	4%	0.042	27%	0.265	C	S	.	.			trans	-99.8	107.6	177.1	-163.5	178.2	163.6	0	0	111.5	S390 L410 P411 Q412 T430 S431 A432 R436	S390-E414 VanDerWaalsContact CB-O 3.32Å; S390-E414 WeakPolarHBondContact CB-O 3.32Å; L410-E414 HydrophobicContact CB-CB 4.38Å; L410-E414 WeakPolarHBondContact CB-O 3.39Å; L410-E414 HydrophobicContact CD2-CG 4.25Å; P411-E414 HydrophobicContact CB-CB 4.29Å; P411-E414 WeakPolarHBondContact CD-OE2 3.5Å; P411-E414 WeakPolarHBondContact CG-OE2 3.29Å; P411-E414 WeakPolarHBondContact O-CB 3.48Å; P411-E414 PolarHBondContact O-N 3.3Å; Q412-E414 VanDerWaalsContact C-N 3.33Å; E414-T430 HydrophobicContact CG-CG2 4.08Å; E414-T430 WeakPolarHBondContact CG-OG1 3.09Å; E414-T430 VanDerWaalsContact OE1-CB 3.25Å; E414-T430 WeakPolarHBondContact OE1-CB 3.4Å; E414-T430 VanDerWaalsContact OE1-CG2 3.25Å; E414-T430 WeakPolarHBondContact OE1-CG2 3.31Å; E414-T430 PolarHBondContact OE1-OG1 2.87Å; E414-S431 WeakPolarHBondContact CA-OG 3.24Å; E414-A432 HydrophobicContact CG-CB 3.93Å; E414-R436 IonicContact OE1-CZ 3.08Å; E414-R436 IonicContact OE1-NE 2.67Å; E414-R436 PolarHBondContact OE1-NE 2.9Å; E414-R436 IonicContact OE1-NH2 3.23Å; E414-R436 PolarHBondContact OE1-NH2 2.85Å; E414-R436 IonicContact OE2-CZ 2.93Å; E414-R436 IonicContact OE2-NE 2.65Å; E414-R436 IonicContact OE2-NH2 3.27Å; E414-R436 PolarHBondContact OE2-NH2 2.88Å
415	D	95.1	Very high	94.3	Very high	30 Å²	30	45.8 Å²	45.8	16%	0.16	25%	0.248	C	C	.	.			trans	-95	143	176.2	-83.9	-29.1	0	0	0	111.4	S384 K417 T430 S431	S384-D415 WeakPolarHBondContact CB-OD1 3.49Å; S384-D415 PolarHBondContact N-OD1 2.91Å; S384-D415 PolarHBondContact OG-OD1 3.47Å; D415-K417 HydrophobicContact CB-CD 4.37Å; D415-K417 VanDerWaalsContact CB-CE 3.44Å; D415-K417 VanDerWaalsContact CG-NZ 3.34Å; D415-K417 IonicContact OD2-NZ 3.7Å; D415-K417 PolarHBondContact OD2-NZ 2.84Å; D415-T430 CarbonylContact O-C 3.59Å; D415-T430 WeakPolarHBondContact O-CA 3.37Å; D415-T430 WeakPolarHBondContact O-CB 3.46Å; D415-S431 PolarHBondContact N-OG 3.05Å; D415-S431 PolarHBondContact O-N 3.25Å
416	V	95.2	Very high	94.4	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.7	158.6	-178.8	0	0	0	0	110.8	M370 A381 S390 L410 L419 V428	M370-V416 HydrophobicContact CE-CB 3.95Å; M370-V416 HydrophobicContact CE-CG1 3.71Å; M370-V416 HydrophobicContact SD-CG1 4.09Å; A381-V416 HydrophobicContact CB-CB 4.04Å; A381-V416 HydrophobicContact CB-CG1 3.88Å; A381-V416 HydrophobicContact CB-CG2 4.01Å; S390-V416 PolarHBondContact OG-N 2.86Å; S390-V416 VanDerWaalsContact OG-N 3.12Å; L410-V416 HydrophobicContact CD1-CG2 4.27Å; L410-V416 HydrophobicContact CD2-CG2 3.66Å; V416-L419 HydrophobicContact CG1-CD2 4.34Å; V416-V428 HydrophobicContact CB-CG1 4.22Å; V416-V428 HydrophobicContact CG1-CG1 3.69Å; V416-V428 HydrophobicContact CG2-CG1 3.67Å
417	K	94.9	Very high	94.4	Very high	79 Å²	79	39 Å²	39	34%	0.343	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-26.9	174.5	-58.8	-61.2	171.2	-157.9	0	113.9	A313 D415 A429 V454	A313-K417 HydrophobicContact CB-CB 4.48Å; A313-K417 WeakPolarHBondContact CB-O 3.38Å; D415-K417 HydrophobicContact CB-CD 4.37Å; D415-K417 VanDerWaalsContact CB-CE 3.44Å; D415-K417 VanDerWaalsContact CG-NZ 3.34Å; D415-K417 IonicContact OD2-NZ 3.7Å; D415-K417 PolarHBondContact OD2-NZ 2.84Å; K417-A429 PolarHBondContact N-O 2.88Å; K417-V454 HydrophobicContact CB-CG1 3.81Å
418	A	95.6	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.8	168.7	0	0	0	0	0	110	A429 V454 M457	A418-A429 HydrophobicContact CB-CB 4.5Å; A418-A429 PolarHBondContact N-O 2.83Å; A418-A429 PolarHBondContact O-N 2.86Å; A418-V454 HydrophobicContact CB-CG1 4Å; A418-V454 HydrophobicContact CB-CG2 3.92Å; A418-M457 HydrophobicContact CB-CB 4.44Å; A418-M457 HydrophobicContact CB-CG 3.99Å; A418-M457 HydrophobicContact CB-SD 3.77Å
419	L	96.3	Very high	94.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154	178.3	62.5	90.1	0	0	0	110.7	Q315 M370 D372 L379 A381 V416 A427 V428	Q315-L419 PolarHBondContact NE2-O 3.05Å; Q315-L419 PolarHBondContact OE1-O 3.25Å; Q315-L419 VanDerWaalsContact OE1-O 3.13Å; M370-L419 HydrophobicContact CB-CD2 3.61Å; M370-L419 HydrophobicContact CB-CG 4.31Å; D372-L419 HydrophobicContact CB-CD1 3.53Å; L379-L419 HydrophobicContact CB-CD1 4.26Å; L379-L419 HydrophobicContact CD2-CB 4.21Å; L379-L419 HydrophobicContact CD2-CD1 3.86Å; L379-L419 HydrophobicContact CG-CD1 4.11Å; A381-L419 HydrophobicContact CB-CD2 3.47Å; A381-L419 VanDerWaalsContact CB-CD2 3.47Å; V416-L419 HydrophobicContact CG1-CD2 4.34Å; L419-A427 CarbonylContact C-O 3.41Å; L419-A427 WeakPolarHBondContact CA-O 3.34Å; L419-V428 HydrophobicContact CB-CG2 4.3Å
420	C	96.7	Very high	94.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	158.7	169.9	65.2	0	0	0	0	112.6	D372 A426 A427 M457 A458 L464	D372-C420 VanDerWaalsContact OD2-CA 3.25Å; D372-C420 WeakPolarHBondContact OD2-CA 3.44Å; C420-A426 WeakPolarHBondContact O-CA 3.47Å; C420-A427 PolarHBondContact N-O 3.05Å; C420-A427 PolarHBondContact O-N 3.41Å; C420-M457 HydrophobicContact CB-CB 4.17Å; C420-A458 VanDerWaalsContact SG-C 3.6Å; C420-L464 WeakPolarHBondContact SG-CD1 3.49Å
421	L	96.2	Very high	94.5	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.2	172.5	-70.9	164.9	0	0	0	111.5	D372 A377 L379 A426 G459	D372-L421 HydrophobicContact CB-CD1 4.38Å; D372-L421 PolarHBondContact OD2-N 2.66Å; A377-L421 VanDerWaalsContact O-CD1 3.3Å; A377-L421 WeakPolarHBondContact O-CD1 3.33Å; L379-L421 HydrophobicContact CB-CD1 3.88Å; L379-L421 HydrophobicContact CB-CD2 4.05Å; L379-L421 HydrophobicContact CB-CG 3.92Å; L379-L421 HydrophobicContact CD2-CD2 4.06Å; L379-L421 HydrophobicContact CD2-CG 4.13Å; L421-A426 HydrophobicContact CD2-CB 3.97Å; L421-G459 CarbonylContact O-C 3.33Å; L421-G459 VanDerWaalsContact O-CA 3.27Å; L421-G459 WeakPolarHBondContact O-CA 3.48Å
422	G	94.4	Very high	94.5	Very high	7 Å²	7	31.3 Å²	31.3	7%	0.072	19%	0.185	C	C	.	.			trans	-124.6	-163	161.4	0	0	0	0	0	110.3	G424 W425	G422-G424 PolarHBondContact O-N 3.19Å; G422-W425 PolarHBondContact N-O 3.45Å
423	Q	92.9	Very high	94.9	Very high	121 Å²	121	24.9 Å²	24.9	57%	0.565	16%	0.157	S	C	*	.	S	Bend	trans	-79.4	109	-179	-163.3	82.1	51.2	0	0	110.9	E376 W425 G461	E376-Q423 PolarHBondContact OE1-NE2 3.09Å; Q423-W425 PolarHBondContact O-N 2.82Å; Q423-G461 PolarHBondContact N-O 3.34Å
424	G	92.3	Very high	95.3	Very high	22 Å²	22	23.7 Å²	23.7	23%	0.227	14%	0.136	C	C	.	.	S	Bend	trans	73.3	8.2	-179.4	0	0	0	0	0	115.1	E376 G422 S439 V440	E376-G424 PolarHBondContact OE1-N 3.21Å; E376-G424 WeakPolarHBondContact OE2-CA 3.3Å; E376-G424 PolarHBondContact OE2-N 2.87Å; G422-G424 PolarHBondContact O-N 3.19Å; G424-S439 WeakPolarHBondContact O-CA 3.47Å; G424-V440 PolarHBondContact O-N 2.88Å
425	W	95.1	Very high	95.4	Very high	9 Å²	9	23.3 Å²	23.3	3%	0.034	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.2	-179.8	63	-92.1	0	0	0	113.5	G422 Q423 A427 F438 G461 Q463 L464 F487	G422-W425 PolarHBondContact N-O 3.45Å; Q423-W425 PolarHBondContact O-N 2.82Å; W425-A427 HydrophobicContact CE3-CB 4.04Å; W425-A427 HydrophobicContact CZ3-CB 3.63Å; W425-F438 CarbonylContact C-O 3.55Å; W425-F438 VanDerWaalsContact CA-O 3.24Å; W425-F438 WeakPolarHBondContact CA-O 3.39Å; W425-F438 VanDerWaalsContact CB-O 3.31Å; W425-F438 WeakPolarHBondContact CB-O 3.35Å; W425-G461 PolarHBondContact NE1-O 2.85Å; W425-Q463 WeakPolarHBondContact CH2-O 3.43Å; W425-Q463 VanDerWaalsContact CZ2-O 3.31Å; W425-Q463 WeakPolarHBondContact CZ2-O 3.35Å; W425-L464 HydrophobicContact CH2-CB 3.76Å; W425-L464 HydrophobicContact CH2-CD1 4.05Å; W425-L464 HydrophobicContact CH2-CG 4.43Å; W425-L464 HydrophobicContact CZ2-CB 4.48Å; W425-L464 HydrophobicContact CZ3-CB 4.35Å; W425-L464 HydrophobicContact CZ3-CD1 4.13Å; W425-F487 HydrophobicContact CD2-CD2 4.16Å; W425-F487 HydrophobicContact CD2-CE2 4.45Å; W425-F487 AromaticContact CE2-CD2 3.92Å; W425-F487 HydrophobicContact CE3-CD2 4.42Å; W425-F487 HydrophobicContact CE3-CE2 4.25Å; W425-F487 HydrophobicContact CH2-CD2 4.33Å; W425-F487 HydrophobicContact CH2-CE2 4.11Å; W425-F487 HydrophobicContact CZ2-CD2 4.01Å; W425-F487 HydrophobicContact CZ2-CE2 4.26Å; W425-F487 HydrophobicContact CZ3-CE2 4.11Å
426	A	96.3	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.9	172.2	0	0	0	0	0	109.6	L379 C420 L421 F438	L379-A426 HydrophobicContact CD1-CB 4.29Å; L379-A426 HydrophobicContact CD2-CB 3.75Å; C420-A426 WeakPolarHBondContact O-CA 3.47Å; L421-A426 HydrophobicContact CD2-CB 3.97Å; A426-F438 HydrophobicContact CB-CB 4.4Å; A426-F438 PolarHBondContact N-O 3.38Å; A426-F438 PolarHBondContact O-N 2.91Å
427	A	96.3	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.7	174.4	0	0	0	0	0	110.8	L419 C420 W425 L435 R436 L437 M457 L464	L419-A427 CarbonylContact C-O 3.41Å; L419-A427 WeakPolarHBondContact CA-O 3.34Å; C420-A427 PolarHBondContact N-O 3.05Å; C420-A427 PolarHBondContact O-N 3.41Å; W425-A427 HydrophobicContact CE3-CB 4.04Å; W425-A427 HydrophobicContact CZ3-CB 3.63Å; A427-L435 HydrophobicContact CB-CD1 4.3Å; A427-R436 WeakPolarHBondContact CA-O 3.02Å; A427-L437 HydrophobicContact CB-CD2 3.53Å; A427-M457 HydrophobicContact CB-CE 3.65Å; A427-M457 WeakPolarHBondContact O-CE 3.4Å; A427-L464 HydrophobicContact CB-CD1 4.04Å; A427-L464 HydrophobicContact CB-CD2 4Å
428	V	96.6	Very high	95.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.7	-173.3	-176	0	0	0	0	109.7	L392 V416 L419 T430 L435 R436 F438	L392-V428 HydrophobicContact CD1-CG2 3.73Å; L392-V428 HydrophobicContact CD2-CG2 3.72Å; L392-V428 HydrophobicContact CG-CG2 4.37Å; V416-V428 HydrophobicContact CB-CG1 4.22Å; V416-V428 HydrophobicContact CG1-CG1 3.69Å; V416-V428 HydrophobicContact CG2-CG1 3.67Å; L419-V428 HydrophobicContact CB-CG2 4.3Å; V428-T430 HydrophobicContact CG1-CG2 4.27Å; V428-L435 CarbonylContact O-C 3.59Å; V428-L435 WeakPolarHBondContact O-CA 3.5Å; V428-R436 PolarHBondContact N-O 2.86Å; V428-R436 PolarHBondContact O-N 3.1Å; V428-F438 HydrophobicContact CB-CE2 4.36Å; V428-F438 HydrophobicContact CG2-CD2 4.31Å; V428-F438 HydrophobicContact CG2-CE2 4.04Å
429	A	96.9	Very high	95.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.1	173.5	0	0	0	0	0	111.2	K417 A418 L434 L450 V454 M457	K417-A429 PolarHBondContact N-O 2.88Å; A418-A429 HydrophobicContact CB-CB 4.5Å; A418-A429 PolarHBondContact N-O 2.83Å; A418-A429 PolarHBondContact O-N 2.86Å; A429-L434 WeakPolarHBondContact CA-O 3.36Å; A429-L450 HydrophobicContact CB-CD1 3.64Å; A429-V454 HydrophobicContact CB-CB 3.96Å; A429-V454 HydrophobicContact CB-CG1 3.81Å; A429-V454 HydrophobicContact CB-CG2 3.98Å; A429-M457 HydrophobicContact CB-CE 4.47Å; A429-M457 HydrophobicContact CB-SD 3.32Å; A429-M457 WeakPolarHBondContact CB-SD 3.23Å
430	T	96	Very high	95.3	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.025	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	170	-166.8	69.8	0	0	0	0	114.6	L410 E414 D415 V428 A432 L433 L434	L410-T430 HydrophobicContact CD2-CG2 3.68Å; E414-T430 HydrophobicContact CG-CG2 4.08Å; E414-T430 WeakPolarHBondContact CG-OG1 3.09Å; E414-T430 VanDerWaalsContact OE1-CB 3.25Å; E414-T430 WeakPolarHBondContact OE1-CB 3.4Å; E414-T430 VanDerWaalsContact OE1-CG2 3.25Å; E414-T430 WeakPolarHBondContact OE1-CG2 3.31Å; E414-T430 PolarHBondContact OE1-OG1 2.87Å; D415-T430 CarbonylContact O-C 3.59Å; D415-T430 WeakPolarHBondContact O-CA 3.37Å; D415-T430 WeakPolarHBondContact O-CB 3.46Å; V428-T430 HydrophobicContact CG1-CG2 4.27Å; T430-A432 PolarHBondContact O-N 2.62Å; T430-L433 PolarHBondContact O-N 2.7Å; T430-L434 PolarHBondContact N-O 2.86Å; T430-L434 PolarHBondContact OG1-O 3.12Å
431	S	95	Very high	95.2	Very high	47 Å²	47	24.3 Å²	24.3	33%	0.329	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.9	176.1	52.6	0	0	0	0	113.2	G413 E414 D415 L433	G413-S431 PolarHBondContact O-OG 3.02Å; E414-S431 WeakPolarHBondContact CA-OG 3.24Å; D415-S431 PolarHBondContact N-OG 3.05Å; D415-S431 PolarHBondContact O-N 3.25Å; S431-L433 PolarHBondContact O-N 2.87Å
432	A	94.3	Very high	95	Very high	53 Å²	53	25 Å²	25	44%	0.438	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	10.9	179.2	0	0	0	0	0	114	E414 T430 L434	E414-A432 HydrophobicContact CG-CB 3.93Å; T430-A432 PolarHBondContact O-N 2.62Å; A432-L434 HydrophobicContact CB-CD1 4.27Å; A432-L434 HydrophobicContact CB-CG 4.09Å; A432-L434 PolarHBondContact O-N 3.45Å
433	L	95.4	Very high	95.1	Very high	66 Å²	66	29.3 Å²	29.3	35%	0.346	19%	0.187	S	C	.	.	S	Bend	trans	54.3	34.7	-171.2	-55.1	-178	0	0	0	112.6	T430 S431 S449 L450 P453	T430-L433 PolarHBondContact O-N 2.7Å; S431-L433 PolarHBondContact O-N 2.87Å; L433-S449 CarbonylContact O-C 3.56Å; L433-S449 WeakPolarHBondContact O-CA 3.24Å; L433-L450 PolarHBondContact O-N 3.2Å; L433-P453 HydrophobicContact CD2-CB 4.36Å; L433-P453 HydrophobicContact CD2-CG 4.18Å
434	L	96.1	Very high	95.2	Very high	39 Å²	39	28.9 Å²	28.9	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.5	173.3	-59.3	-179.9	0	0	0	110.4	A429 T430 A432 I447	A429-L434 WeakPolarHBondContact CA-O 3.36Å; T430-L434 PolarHBondContact N-O 2.86Å; T430-L434 PolarHBondContact OG1-O 3.12Å; A432-L434 HydrophobicContact CB-CD1 4.27Å; A432-L434 HydrophobicContact CB-CG 4.09Å; A432-L434 PolarHBondContact O-N 3.45Å; L434-I447 HydrophobicContact CB-CG2 4.24Å; L434-I447 HydrophobicContact CD1-CG2 4.36Å; L434-I447 HydrophobicContact CD2-CG2 4.29Å
435	L	95.7	Very high	95.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.8	160.6	-178.7	74.1	0	0	0	107.7	A427 V428 L437 I447 C448 L450 M457 L464	A427-L435 HydrophobicContact CB-CD1 4.3Å; V428-L435 CarbonylContact O-C 3.59Å; V428-L435 WeakPolarHBondContact O-CA 3.5Å; L435-L437 HydrophobicContact CD2-CD2 4.36Å; L435-L437 HydrophobicContact CG-CD2 4.4Å; L435-I447 VanDerWaalsContact O-CA 3.29Å; L435-I447 WeakPolarHBondContact O-CA 3.28Å; L435-C448 PolarHBondContact N-O 2.85Å; L435-C448 PolarHBondContact O-N 2.98Å; L435-L450 HydrophobicContact CB-CD2 3.97Å; L435-L450 HydrophobicContact CB-CG 4.13Å; L435-M457 HydrophobicContact CD1-CE 3.4Å; L435-M457 VanDerWaalsContact CD1-CE 3.4Å; L435-M457 HydrophobicContact CD1-SD 4.25Å; L435-L464 HydrophobicContact CD1-CD2 4.13Å; L435-L464 HydrophobicContact CD2-CD2 3.62Å; L435-L464 HydrophobicContact CG-CD2 4.44Å
436	R	95.8	Very high	95	Very high	34 Å²	34	37.7 Å²	37.7	13%	0.128	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.7	177.2	-64.1	176.7	173.4	-85.9	-2.2	109.4	E414 A427 V428 F438 I447	E414-R436 IonicContact OE1-CZ 3.08Å; E414-R436 IonicContact OE1-NE 2.67Å; E414-R436 PolarHBondContact OE1-NE 2.9Å; E414-R436 IonicContact OE1-NH2 3.23Å; E414-R436 PolarHBondContact OE1-NH2 2.85Å; E414-R436 IonicContact OE2-CZ 2.93Å; E414-R436 IonicContact OE2-NE 2.65Å; E414-R436 IonicContact OE2-NH2 3.27Å; E414-R436 PolarHBondContact OE2-NH2 2.88Å; A427-R436 WeakPolarHBondContact CA-O 3.02Å; V428-R436 PolarHBondContact N-O 2.86Å; V428-R436 PolarHBondContact O-N 3.1Å; R436-F438 HydrophobicContact CB-CE2 3.76Å; R436-F438 HydrophobicContact CB-CZ 4.2Å; R436-I447 HydrophobicContact CG-CG1 4.29Å; R436-I447 HydrophobicContact CG-CG2 4.28Å
437	L	95.3	Very high	94.8	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.9	174.3	-56.6	-179.5	0	0	0	110.7	A427 L435 R445 E446 L464 F487	A427-L437 HydrophobicContact CB-CD2 3.53Å; L435-L437 HydrophobicContact CD2-CD2 4.36Å; L435-L437 HydrophobicContact CG-CD2 4.4Å; L437-R445 HydrophobicContact CB-CB 3.78Å; L437-R445 PolarHBondContact O-N 3.04Å; L437-E446 WeakPolarHBondContact CB-O 3.27Å; L437-E446 WeakPolarHBondContact CG-O 3.39Å; L437-E446 PolarHBondContact N-O 2.88Å; L437-L464 HydrophobicContact CD2-CD2 4.39Å; L437-F487 HydrophobicContact CD1-CD1 4.31Å; L437-F487 HydrophobicContact CD1-CE1 3.72Å; L437-F487 HydrophobicContact CD1-CE2 4.11Å; L437-F487 HydrophobicContact CD1-CZ 3.59Å; L437-F487 HydrophobicContact CD2-CE2 3.88Å; L437-F487 HydrophobicContact CD2-CZ 3.74Å; L437-F487 HydrophobicContact CG-CZ 4.32Å
438	F	96	Very high	94.6	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.2	174.7	-57.1	-98.6	0	0	0	109.2	L392 W406 V408 W425 A426 V428 R436 V443 Q444	L392-F438 HydrophobicContact CD2-CD2 3.93Å; L392-F438 HydrophobicContact CD2-CE1 4.45Å; L392-F438 HydrophobicContact CD2-CE2 3.7Å; L392-F438 HydrophobicContact CD2-CG 4.42Å; L392-F438 HydrophobicContact CD2-CZ 3.98Å; W406-F438 HydrophobicContact CH2-CB 4.17Å; W406-F438 HydrophobicContact CH2-CD1 4.23Å; W406-F438 HydrophobicContact CH2-CG 4.25Å; W406-F438 HydrophobicContact CZ3-CD1 4.41Å; V408-F438 HydrophobicContact CG1-CE1 3.84Å; V408-F438 HydrophobicContact CG1-CZ 4.17Å; W425-F438 CarbonylContact C-O 3.55Å; W425-F438 VanDerWaalsContact CA-O 3.24Å; W425-F438 WeakPolarHBondContact CA-O 3.39Å; W425-F438 VanDerWaalsContact CB-O 3.31Å; W425-F438 WeakPolarHBondContact CB-O 3.35Å; A426-F438 HydrophobicContact CB-CB 4.4Å; A426-F438 PolarHBondContact N-O 3.38Å; A426-F438 PolarHBondContact O-N 2.91Å; V428-F438 HydrophobicContact CB-CE2 4.36Å; V428-F438 HydrophobicContact CG2-CD2 4.31Å; V428-F438 HydrophobicContact CG2-CE2 4.04Å; R436-F438 HydrophobicContact CB-CE2 3.76Å; R436-F438 HydrophobicContact CB-CZ 4.2Å; F438-V443 CarbonylContact C-O 3.6Å; F438-V443 WeakPolarHBondContact CA-O 3.46Å; F438-Q444 HydrophobicContact CD1-CG 4Å; F438-Q444 HydrophobicContact CE1-CG 3.85Å
439	S	95.2	Very high	94.5	Very high	17 Å²	17	48.6 Å²	48.6	12%	0.119	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	159.4	159.2	73.1	0	0	0	0	110.2	G424 G441 G442 V443	G424-S439 WeakPolarHBondContact O-CA 3.47Å; S439-G441 PolarHBondContact O-N 2.74Å; S439-G441 VanDerWaalsContact O-N 3.12Å; S439-G441 PolarHBondContact OG-N 2.87Å; S439-G442 PolarHBondContact O-N 3.45Å; S439-G442 PolarHBondContact OG-N 2.89Å; S439-V443 PolarHBondContact N-O 3.35Å; S439-V443 WeakPolarHBondContact OG-CB 3.48Å; S439-V443 PolarHBondContact OG-N 2.81Å
440	V	93.9	Very high	94.4	Very high	15 Å²	15	49 Å²	49	9%	0.091	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	173.4	73.2	0	0	0	0	112.7	E376 A377 W406 G424	E376-V440 HydrophobicContact CB-CG2 4.33Å; A377-V440 HydrophobicContact CB-CG2 3.62Å; W406-V440 PolarHBondContact NE1-O 2.91Å; G424-V440 PolarHBondContact O-N 2.88Å
441	G	92.8	Very high	94.2	Very high	46 Å²	46	52.8 Å²	52.8	47%	0.474	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	20.5	172.1	0	0	0	0	0	115.4	S439 V443	S439-G441 PolarHBondContact O-N 2.74Å; S439-G441 VanDerWaalsContact O-N 3.12Å; S439-G441 PolarHBondContact OG-N 2.87Å; G441-V443 PolarHBondContact O-N 3.03Å
442	G	93.8	Very high	94.2	Very high	24 Å²	24	50.8 Å²	50.8	25%	0.247	30%	0.298	C	S	.	.	S	Bend	trans	84.2	-0.7	168.1	0	0	0	0	0	117.1	W406 S439 Q444	W406-G442 VanDerWaalsContact CD2-CA 3.46Å; W406-G442 VanDerWaalsContact CE2-N 3.3Å; S439-G442 PolarHBondContact O-N 3.45Å; S439-G442 PolarHBondContact OG-N 2.89Å; G442-Q444 PolarHBondContact O-N 3.26Å
443	V	95.6	Very high	94.3	Very high	96 Å²	96	51.7 Å²	51.7	58%	0.582	30%	0.299	S	S	*	.			trans	-70.5	121	175.2	-177.3	0	0	0	0	109.2	F438 S439 G441 R445	F438-V443 CarbonylContact C-O 3.6Å; F438-V443 WeakPolarHBondContact CA-O 3.46Å; S439-V443 PolarHBondContact N-O 3.35Å; S439-V443 WeakPolarHBondContact OG-CB 3.48Å; S439-V443 PolarHBondContact OG-N 2.81Å; G441-V443 PolarHBondContact O-N 3.03Å; V443-R445 PolarHBondContact O-N 3.11Å
444	Q	95.4	Very high	94.3	Very high	113 Å²	113	49 Å²	49	53%	0.528	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	131.4	174.1	-55.2	-166.4	13	0	0	110	F438 G442	F438-Q444 HydrophobicContact CD1-CG 4Å; F438-Q444 HydrophobicContact CE1-CG 3.85Å; G442-Q444 PolarHBondContact O-N 3.26Å
445	R	91.6	Very high	94.4	Very high	117 Å²	117	47.2 Å²	47.2	44%	0.442	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-155	176.1	-70.2	-175.5	171.2	-176.8	-0.1	109	L437 V443	L437-R445 HydrophobicContact CB-CB 3.78Å; L437-R445 PolarHBondContact O-N 3.04Å; V443-R445 PolarHBondContact O-N 3.11Å
446	E	90.3	Very high	94.4	Very high	98 Å²	98	47.2 Å²	47.2	46%	0.458	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	157.4	-173.7	-56.8	80	-177.2	0	0	113.1	L437 K491	L437-E446 WeakPolarHBondContact CB-O 3.27Å; L437-E446 WeakPolarHBondContact CG-O 3.39Å; L437-E446 PolarHBondContact N-O 2.88Å; E446-K491 IonicContact OE1-NZ 3.99Å; E446-K491 PolarHBondContact OE1-NZ 3.43Å; E446-K491 IonicContact OE2-NZ 3.5Å; E446-K491 PolarHBondContact OE2-NZ 3.08Å
447	I	93.7	Very high	94.5	Very high	84 Å²	84	45.7 Å²	45.7	43%	0.431	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.5	177.3	-55.4	171.7	0	0	0	107.2	L434 L435 R436	L434-I447 HydrophobicContact CB-CG2 4.24Å; L434-I447 HydrophobicContact CD1-CG2 4.36Å; L434-I447 HydrophobicContact CD2-CG2 4.29Å; L435-I447 VanDerWaalsContact O-CA 3.29Å; L435-I447 WeakPolarHBondContact O-CA 3.28Å; R436-I447 HydrophobicContact CG-CG1 4.29Å; R436-I447 HydrophobicContact CG-CG2 4.28Å
448	C	91.2	Very high	94.5	Very high	53 Å²	53	45.5 Å²	45.5	36%	0.358	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.7	170.9	64.3	0	0	0	0	111.7	L435	L435-C448 PolarHBondContact N-O 2.85Å; L435-C448 PolarHBondContact O-N 2.98Å
449	S	94.6	Very high	94.5	Very high	93 Å²	93	46.2 Å²	46.2	65%	0.65	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.2	175	-54.3	0	0	0	0	111.6	L433	L433-S449 CarbonylContact O-C 3.56Å; L433-S449 WeakPolarHBondContact O-CA 3.24Å
450	L	94.2	Very high	94.5	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.042	29%	0.286	C	S	.	.			trans	-86.1	140.3	171.5	-66.8	175.1	0	0	0	109.8	A429 L433 L435 G452 V454 V466	A429-L450 HydrophobicContact CB-CD1 3.64Å; L433-L450 PolarHBondContact O-N 3.2Å; L435-L450 HydrophobicContact CB-CD2 3.97Å; L435-L450 HydrophobicContact CB-CG 4.13Å; L450-G452 PolarHBondContact O-N 2.87Å; L450-G452 VanDerWaalsContact O-N 3.12Å; L450-V454 HydrophobicContact CD1-CB 4.31Å; L450-V466 HydrophobicContact CD2-CG1 4.04Å
451	P	93.2	Very high	94.4	Very high	84 Å²	84	47.9 Å²	47.9	55%	0.545	29%	0.287	S	S	.	.	S	Bend	trans	-70.7	-5.7	-178.9	-16.8	30.9	0	0	0	114.7	Y468	P451-Y468 HydrophobicContact CB-CE2 3.71Å; P451-Y468 HydrophobicContact CG-CE1 4.41Å; P451-Y468 HydrophobicContact CG-CE2 4.19Å
452	G	94.2	Very high	94.3	Very high	6 Å²	6	48.8 Å²	48.8	6%	0.062	28%	0.279	C	S	.	.	S	Bend	trans	-177.7	175.5	175.7	0	0	0	0	0	112.3	L450 V454	L450-G452 PolarHBondContact O-N 2.87Å; L450-G452 VanDerWaalsContact O-N 3.12Å; G452-V454 PolarHBondContact O-N 2.85Å
453	P	96.1	Very high	94.3	Very high	71 Å²	71	47.8 Å²	47.8	46%	0.461	27%	0.268	S	S	.	.			trans	-59.6	129.2	-175.4	-24.8	33.7	0	0	0	113.4	L433 Y468 H469	L433-P453 HydrophobicContact CD2-CB 4.36Å; L433-P453 HydrophobicContact CD2-CG 4.18Å; P453-Y468 CarbonylContact O-C 3.53Å; P453-Y468 VanDerWaalsContact O-CA 3.3Å; P453-Y468 WeakPolarHBondContact O-CA 3.47Å; P453-Y468 WeakPolarHBondContact O-CB 3.45Å; P453-H469 PolarHBondContact O-N 2.71Å
454	V	96.8	Very high	94.3	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.6	180	70	0	0	0	0	112.2	A313 K417 A418 A429 L450 G452 M457 V466	A313-V454 HydrophobicContact CB-CG1 4.43Å; K417-V454 HydrophobicContact CB-CG1 3.81Å; A418-V454 HydrophobicContact CB-CG1 4Å; A418-V454 HydrophobicContact CB-CG2 3.92Å; A429-V454 HydrophobicContact CB-CB 3.96Å; A429-V454 HydrophobicContact CB-CG1 3.81Å; A429-V454 HydrophobicContact CB-CG2 3.98Å; L450-V454 HydrophobicContact CD1-CB 4.31Å; G452-V454 PolarHBondContact O-N 2.85Å; V454-M457 HydrophobicContact CG2-CG 3.91Å; V454-M457 HydrophobicContact CG2-SD 4.32Å; V454-V466 HydrophobicContact CG2-CG1 4.13Å
455	V	96.8	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-45.6	173.4	174.4	0	0	0	0	110.9	Q311 A313 F314 V467 H469 L480 L508	Q311-V455 HydrophobicContact CG-CG1 3.85Å; Q311-V455 HydrophobicContact CG-CG2 4.18Å; A313-V455 CarbonylContact C-O 3.52Å; A313-V455 WeakPolarHBondContact CA-O 3.32Å; F314-V455 HydrophobicContact CD1-CG1 4.16Å; F314-V455 HydrophobicContact CE1-CG1 3.79Å; F314-V455 PolarHBondContact N-O 2.93Å; V455-V467 PolarHBondContact N-O 3.25Å; V455-H469 VanDerWaalsContact CG2-CD2 3.48Å; V455-H469 WeakPolarHBondContact CG2-CD2 3.15Å; V455-H469 VanDerWaalsContact CG2-NE2 3.26Å; V455-H469 WeakPolarHBondContact CG2-NE2 3.34Å; V455-L480 HydrophobicContact CG2-CD2 3.85Å; V455-L508 HydrophobicContact CG1-CD2 3.99Å
456	C	96.3	Very high	94.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	163.9	171.8	62.6	0	0	0	0	110.6	F314 P316 V467 L508	F314-C456 HydrophobicContact CE1-CB 4.17Å; F314-C456 HydrophobicContact CZ-CB 4.19Å; F314-C456 WeakPolarHBondContact O-CB 3.35Å; P316-C456 HydrophobicContact CG-CB 4.34Å; C456-V467 PolarHBondContact N-O 2.88Å; C456-V467 PolarHBondContact O-N 2.88Å; C456-L508 WeakPolarHBondContact SG-CD2 3.41Å
457	M	96.9	Very high	95	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.2	174.1	-66.7	167.8	63.3	0	0	110	A418 C420 A427 A429 L435 V454 L464 L465 V466	A418-M457 HydrophobicContact CB-CB 4.44Å; A418-M457 HydrophobicContact CB-CG 3.99Å; A418-M457 HydrophobicContact CB-SD 3.77Å; C420-M457 HydrophobicContact CB-CB 4.17Å; A427-M457 HydrophobicContact CB-CE 3.65Å; A427-M457 WeakPolarHBondContact O-CE 3.4Å; A429-M457 HydrophobicContact CB-CE 4.47Å; A429-M457 HydrophobicContact CB-SD 3.32Å; A429-M457 WeakPolarHBondContact CB-SD 3.23Å; L435-M457 HydrophobicContact CD1-CE 3.4Å; L435-M457 VanDerWaalsContact CD1-CE 3.4Å; L435-M457 HydrophobicContact CD1-SD 4.25Å; V454-M457 HydrophobicContact CG2-CG 3.91Å; V454-M457 HydrophobicContact CG2-SD 4.32Å; M457-L464 HydrophobicContact CE-CD1 4.02Å; M457-L465 WeakPolarHBondContact CA-O 3.46Å; M457-V466 HydrophobicContact CG-CG1 4.24Å; M457-V466 HydrophobicContact CG-CG2 4.4Å
458	A	96.8	Very high	95.1	Very high	11 Å²	11	24.3 Å²	24.3	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.3	166.9	0	0	0	0	0	110.1	C420 L465 F513	C420-A458 VanDerWaalsContact SG-C 3.6Å; A458-L465 PolarHBondContact N-O 3.34Å; A458-L465 PolarHBondContact O-N 2.91Å; A458-F513 HydrophobicContact CB-CD2 4.18Å; A458-F513 HydrophobicContact CB-CE2 4.16Å
459	G	95.5	Very high	95.4	Very high	20 Å²	20	22.7 Å²	22.7	21%	0.206	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.8	171	0	0	0	0	0	111.9	L421 Q463	L421-G459 CarbonylContact O-C 3.33Å; L421-G459 VanDerWaalsContact O-CA 3.27Å; L421-G459 WeakPolarHBondContact O-CA 3.48Å; G459-Q463 WeakPolarHBondContact CA-O 3.24Å
460	H	94.5	Very high	95.3	Very high	57 Å²	57	24.4 Å²	24.4	26%	0.264	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	125.8	167.6	179	-69.3	0	0	0	109.2	E462 Q463 F513 T514 A515 G517	H460-E462 PolarHBondContact O-N 2.65Å; H460-Q463 PolarHBondContact N-O 3.04Å; H460-Q463 WeakPolarHBondContact O-CA 3.3Å; H460-Q463 WeakPolarHBondContact O-CB 3.48Å; H460-Q463 PolarHBondContact O-N 2.67Å; H460-F513 HydrophobicContact CB-CB 3.68Å; H460-F513 HydrophobicContact CB-CD1 3.89Å; H460-F513 HydrophobicContact CB-CD2 3.47Å; H460-F513 VanDerWaalsContact CB-CD2 3.47Å; H460-F513 HydrophobicContact CB-CE1 4.39Å; H460-F513 HydrophobicContact CB-CE2 4.03Å; H460-F513 HydrophobicContact CB-CG 3.4Å; H460-F513 HydrophobicContact CB-CZ 4.45Å; H460-T514 PolarHBondContact CD2-O 2.91Å; H460-A515 PolarHBondContact NE2-O 3.49Å; H460-G517 WeakPolarHBondContact CE1-CA 3.44Å; H460-G517 WeakPolarHBondContact ND1-CA 3.11Å; H460-G517 PolarHBondContact NE2-N 3.23Å
461	G	91.3	Very high	95.2	Very high	10 Å²	10	26.3 Å²	26.3	10%	0.103	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-123.1	-176.4	0	0	0	0	0	111.2	Q423 W425	Q423-G461 PolarHBondContact N-O 3.34Å; W425-G461 PolarHBondContact NE1-O 2.85Å
462	E	92.2	Very high	95.2	Very high	65 Å²	65	26.7 Å²	26.7	30%	0.304	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.2	172.6	-62.1	-177	149	0	0	114.4	H460 Q486 F487 G488	H460-E462 PolarHBondContact O-N 2.65Å; E462-Q486 HydrophobicContact CB-CG 4.18Å; E462-Q486 CarbonylContact O-C 3.47Å; E462-Q486 WeakPolarHBondContact O-CA 3.08Å; E462-F487 PolarHBondContact O-N 3.11Å; E462-G488 WeakPolarHBondContact OE1-CA 3.17Å; E462-G488 WeakPolarHBondContact OE2-CA 3.32Å; E462-G488 PolarHBondContact OE2-N 3.4Å
463	Q	94.1	Very high	95	Very high	3 Å²	3	27 Å²	27	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.5	-174	-62.2	175	97.1	0	0	112.5	W425 G459 H460 L485 F513 G517 F622	W425-Q463 WeakPolarHBondContact CH2-O 3.43Å; W425-Q463 VanDerWaalsContact CZ2-O 3.31Å; W425-Q463 WeakPolarHBondContact CZ2-O 3.35Å; G459-Q463 WeakPolarHBondContact CA-O 3.24Å; H460-Q463 PolarHBondContact N-O 3.04Å; H460-Q463 WeakPolarHBondContact O-CA 3.3Å; H460-Q463 WeakPolarHBondContact O-CB 3.48Å; H460-Q463 PolarHBondContact O-N 2.67Å; Q463-L485 CarbonylContact C-O 3.59Å; Q463-L485 WeakPolarHBondContact CA-O 3.48Å; Q463-F513 HydrophobicContact CB-CE1 3.85Å; Q463-F513 HydrophobicContact CB-CZ 3.73Å; Q463-G517 PolarHBondContact NE2-O 2.89Å; Q463-F622 HydrophobicContact CG-CZ 4.19Å
464	L	95.6	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122	170.7	174	63.8	0	0	0	110.4	C420 W425 A427 L435 L437 M457 V466 L484 L485 F487	C420-L464 WeakPolarHBondContact SG-CD1 3.49Å; W425-L464 HydrophobicContact CH2-CB 3.76Å; W425-L464 HydrophobicContact CH2-CD1 4.05Å; W425-L464 HydrophobicContact CH2-CG 4.43Å; W425-L464 HydrophobicContact CZ2-CB 4.48Å; W425-L464 HydrophobicContact CZ3-CB 4.35Å; W425-L464 HydrophobicContact CZ3-CD1 4.13Å; A427-L464 HydrophobicContact CB-CD1 4.04Å; A427-L464 HydrophobicContact CB-CD2 4Å; L435-L464 HydrophobicContact CD1-CD2 4.13Å; L435-L464 HydrophobicContact CD2-CD2 3.62Å; L435-L464 HydrophobicContact CG-CD2 4.44Å; L437-L464 HydrophobicContact CD2-CD2 4.39Å; M457-L464 HydrophobicContact CE-CD1 4.02Å; L464-V466 HydrophobicContact CD1-CG2 4.21Å; L464-V466 HydrophobicContact CD2-CG2 3.91Å; L464-V466 HydrophobicContact CG-CG2 3.84Å; L464-L484 WeakPolarHBondContact O-CA 3.39Å; L464-L485 HydrophobicContact CB-CB 4.48Å; L464-L485 HydrophobicContact CD2-CD1 4.33Å; L464-L485 HydrophobicContact CG-CD1 4.49Å; L464-L485 PolarHBondContact N-O 3.08Å; L464-L485 PolarHBondContact O-N 2.94Å; L464-F487 HydrophobicContact CB-CD2 4.42Å; L464-F487 HydrophobicContact CB-CE2 3.56Å; L464-F487 HydrophobicContact CB-CZ 3.92Å; L464-F487 HydrophobicContact CD2-CE2 3.83Å; L464-F487 HydrophobicContact CD2-CZ 3.63Å; L464-F487 HydrophobicContact CG-CE2 4.32Å; L464-F487 HydrophobicContact CG-CZ 4.42Å
465	L	96.6	Very high	94.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.7	170.5	179.9	69.2	0	0	0	109.3	M457 A458 V482 L484 A511 F513 A519	M457-L465 WeakPolarHBondContact CA-O 3.46Å; A458-L465 PolarHBondContact N-O 3.34Å; A458-L465 PolarHBondContact O-N 2.91Å; L465-V482 HydrophobicContact CD1-CG2 3.5Å; L465-L484 HydrophobicContact CB-CD1 4.38Å; L465-L484 HydrophobicContact CD1-CD1 4.3Å; L465-A511 HydrophobicContact CD2-CB 4.27Å; L465-F513 HydrophobicContact CB-CE2 3.81Å; L465-F513 HydrophobicContact CB-CZ 3.8Å; L465-A519 HydrophobicContact CD1-CB 4.36Å; L465-A519 HydrophobicContact CD2-CB 4.29Å
466	V	96.6	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.5	171.3	-170.5	0	0	0	0	109.2	L450 V454 M457 L464 Q483 L485	L450-V466 HydrophobicContact CD2-CG1 4.04Å; V454-V466 HydrophobicContact CG2-CG1 4.13Å; M457-V466 HydrophobicContact CG-CG1 4.24Å; M457-V466 HydrophobicContact CG-CG2 4.4Å; L464-V466 HydrophobicContact CD1-CG2 4.21Å; L464-V466 HydrophobicContact CD2-CG2 3.91Å; L464-V466 HydrophobicContact CG-CG2 3.84Å; V466-Q483 HydrophobicContact CB-CB 4.41Å; V466-Q483 PolarHBondContact N-O 3.32Å; V466-Q483 PolarHBondContact O-N 3.45Å; V466-L485 HydrophobicContact CG2-CD1 4.45Å
467	V	97.4	Very high	94	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.6	169.7	-175.3	0	0	0	0	109.1	V455 C456 L480 V482 L500 L508	V455-V467 PolarHBondContact N-O 3.25Å; C456-V467 PolarHBondContact N-O 2.88Å; C456-V467 PolarHBondContact O-N 2.88Å; V467-L480 HydrophobicContact CG1-CB 4.13Å; V467-L480 HydrophobicContact CG1-CD1 3.9Å; V467-V482 HydrophobicContact CG2-CG2 4.32Å; V467-L500 HydrophobicContact CG1-CD2 3.6Å; V467-L500 HydrophobicContact CG2-CD2 4.04Å; V467-L508 HydrophobicContact CB-CD2 4.11Å; V467-L508 HydrophobicContact CG1-CD2 3.82Å; V467-L508 HydrophobicContact CG2-CD2 4.31Å
468	Y	96.8	Very high	93.9	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.039	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.7	-173.5	69.6	-85.7	0	0	0	111.8	P451 P453 R470 L480 G481 Q483 G497	P451-Y468 HydrophobicContact CB-CE2 3.71Å; P451-Y468 HydrophobicContact CG-CE1 4.41Å; P451-Y468 HydrophobicContact CG-CE2 4.19Å; P453-Y468 CarbonylContact O-C 3.53Å; P453-Y468 VanDerWaalsContact O-CA 3.3Å; P453-Y468 WeakPolarHBondContact O-CA 3.47Å; P453-Y468 WeakPolarHBondContact O-CB 3.45Å; Y468-R470 HydrophobicContact CE2-CB 3.87Å; Y468-R470 PolarHBondContact O-N 2.89Å; Y468-L480 CarbonylContact O-C 3.59Å; Y468-L480 WeakPolarHBondContact O-CA 3.06Å; Y468-G481 WeakPolarHBondContact CD1-O 3.24Å; Y468-G481 PolarHBondContact N-O 3.41Å; Y468-G481 PolarHBondContact O-N 2.86Å; Y468-Q483 HydrophobicContact CE1-CB 4.37Å; Y468-G497 WeakPolarHBondContact OH-CA 3.45Å
469	H	96.3	Very high	93.8	Very high	19 Å²	19	39 Å²	39	9%	0.088	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	111.8	172.7	-70.4	-71.5	0	0	0	110.5	P310 Q311 P453 V455 Q478 L480	P310-H469 VanDerWaalsContact CB-CE1 3.48Å; P310-H469 WeakPolarHBondContact CB-CE1 3.49Å; Q311-H469 PolarHBondContact N-CE1 2.87Å; Q311-H469 PolarHBondContact O-NE2 3.14Å; P453-H469 PolarHBondContact O-N 2.71Å; V455-H469 VanDerWaalsContact CG2-CD2 3.48Å; V455-H469 WeakPolarHBondContact CG2-CD2 3.15Å; V455-H469 VanDerWaalsContact CG2-NE2 3.26Å; V455-H469 WeakPolarHBondContact CG2-NE2 3.34Å; H469-Q478 PolarHBondContact CE1-OE1 2.86Å; H469-L480 WeakPolarHBondContact ND1-CD2 3.21Å
470	R	94.3	Very high	93.8	Very high	129 Å²	129	38.2 Å²	38.2	49%	0.487	21%	0.206	S	C	.	.			trans	-89.1	-19.2	177	67.7	173.6	-179.4	88.6	3.4	113.4	Y468 A479 L480	Y468-R470 HydrophobicContact CE2-CB 3.87Å; Y468-R470 PolarHBondContact O-N 2.89Å; R470-A479 VanDerWaalsContact CG-O 3.28Å; R470-A479 WeakPolarHBondContact CG-O 3.44Å; R470-A479 PolarHBondContact N-O 2.82Å; R470-L480 WeakPolarHBondContact CD-O 3.49Å; R470-L480 PolarHBondContact NE-O 2.92Å; R470-L480 VanDerWaalsContact NE-O 3.11Å
471	A	91.6	Very high	93.9	Very high	49 Å²	49	35.5 Å²	35.5	41%	0.405	19%	0.193	S	C	.	.	S	Bend	trans	-163.8	177.8	178.2	0	0	0	0	0	110	A479	A471-A479 HydrophobicContact CB-CB 3.93Å; A471-A479 PolarHBondContact N-O 3.42Å; A471-A479 WeakPolarHBondContact O-CB 3.23Å
472	T	92.6	Very high	94.2	Very high	92 Å²	92	35 Å²	35	56%	0.564	19%	0.188	S	C	*	.			trans	-85.6	130	166.9	-49.2	0	0	0	0	109.6	P307	P307-T472 HydrophobicContact CB-CG2 4Å
473	G	91.1	Very high	94.3	Very high	11 Å²	11	32.7 Å²	32.7	11%	0.113	18%	0.177	C	C	.	.			trans	-89	175.5	170.8	0	0	0	0	0	112.1	T308 E477	T308-G473 PolarHBondContact N-O 3.19Å; T308-G473 PolarHBondContact OG1-O 2.84Å; G473-E477 CarbonylContact C-O 3.47Å; G473-E477 WeakPolarHBondContact CA-O 3.09Å
474	F	92.4	Very high	94.3	Very high	103 Å²	103	32.5 Å²	32.5	45%	0.452	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-130.8	158.6	-178.3	-68.7	-95.5	0	0	0	111.7	P305 V306 P307 T308 G476 E477	P305-F474 HydrophobicContact CB-CB 4.27Å; P305-F474 HydrophobicContact CB-CD1 4.02Å; P305-F474 HydrophobicContact CB-CG 4.44Å; V306-F474 CarbonylContact O-C 3.47Å; V306-F474 WeakPolarHBondContact O-CA 3.48Å; P307-F474 HydrophobicContact CB-CE1 4.38Å; P307-F474 HydrophobicContact CG-CD1 4.33Å; P307-F474 HydrophobicContact CG-CE1 3.89Å; T308-F474 WeakPolarHBondContact OG1-CA 3.46Å; T308-F474 PolarHBondContact OG1-N 2.91Å; T308-F474 PolarHBondContact OG1-O 3.07Å; F474-G476 PolarHBondContact O-N 2.88Å; F474-E477 WeakPolarHBondContact O-CB 3.03Å; F474-E477 WeakPolarHBondContact O-CG 3.39Å; F474-E477 PolarHBondContact O-N 2.9Å
475	D	90.1	Very high	94.1	Very high	77 Å²	77	33.5 Å²	33.5	41%	0.412	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	26.2	172	-64.1	-28.7	0	0	0	116.2	P305 V306 K505	P305-D475 VanDerWaalsContact CA-OD1 3.27Å; P305-D475 WeakPolarHBondContact CA-OD1 3.41Å; V306-D475 PolarHBondContact N-OD1 2.97Å; V306-D475 PolarHBondContact O-N 3.3Å; D475-K505 WeakPolarHBondContact O-CD 3.31Å; D475-K505 WeakPolarHBondContact O-CG 3.26Å; D475-K505 PolarHBondContact O-NZ 3.4Å
476	G	88.6	Confident	93.8	Very high	34 Å²	34	34.4 Å²	34.4	35%	0.351	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.4	-4.5	-179.1	0	0	0	0	0	114.4	T308 F474 K505	T308-G476 WeakPolarHBondContact OG1-CA 3.48Å; T308-G476 PolarHBondContact OG1-N 3.35Å; F474-G476 PolarHBondContact O-N 2.88Å; G476-K505 CarbonylContact O-C 3.57Å
477	E	93.2	Very high	93.3	Very high	93 Å²	93	36.1 Å²	36.1	44%	0.435	19%	0.194	S	C	.	.			trans	-85.7	145.5	177	-50	-154.5	142.2	0	0	111.7	T308 G473 F474 P504 K505	T308-E477 WeakPolarHBondContact CB-O 3.29Å; T308-E477 WeakPolarHBondContact CG2-O 3.33Å; T308-E477 PolarHBondContact OG1-N 3.24Å; T308-E477 PolarHBondContact OG1-O 3.47Å; G473-E477 CarbonylContact C-O 3.47Å; G473-E477 WeakPolarHBondContact CA-O 3.09Å; F474-E477 WeakPolarHBondContact O-CB 3.03Å; F474-E477 WeakPolarHBondContact O-CG 3.39Å; F474-E477 PolarHBondContact O-N 2.9Å; E477-P504 VanDerWaalsContact OE1-CA 3.32Å; E477-P504 WeakPolarHBondContact OE1-CA 3.48Å; E477-K505 HydrophobicContact CG-CG 4.38Å; E477-K505 PolarHBondContact OE1-N 2.91Å
478	Q	93.9	Very high	92	Very high	29 Å²	29	36.6 Å²	36.6	14%	0.136	20%	0.198	C	C	.	.			trans	-105	128.8	176.5	-61.1	-74.2	-48.2	0	0	109.5	P309 H469 L480 L502	P309-Q478 PolarHBondContact O-NE2 2.8Å; H469-Q478 PolarHBondContact CE1-OE1 2.86Å; Q478-L480 HydrophobicContact CB-CD2 4.28Å; Q478-L480 HydrophobicContact CB-CG 4.11Å; Q478-L480 PolarHBondContact O-N 3.34Å; Q478-L502 HydrophobicContact CB-CD1 3.83Å
479	A	95	Very high	90.7	Very high	14 Å²	14	48.8 Å²	48.8	12%	0.116	24%	0.244	C	C	.	.			trans	-93.9	78.1	177.1	0	0	0	0	0	110.7	R470 A471	R470-A479 VanDerWaalsContact CG-O 3.28Å; R470-A479 WeakPolarHBondContact CG-O 3.44Å; R470-A479 PolarHBondContact N-O 2.82Å; A471-A479 HydrophobicContact CB-CB 3.93Å; A471-A479 PolarHBondContact N-O 3.42Å; A471-A479 WeakPolarHBondContact O-CB 3.23Å
480	L	96.8	Very high	89.7	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	149.7	178.9	-55.8	-170.1	0	0	0	112.4	V455 V467 Y468 H469 R470 Q478 L500 L502 L508	V455-L480 HydrophobicContact CG2-CD2 3.85Å; V467-L480 HydrophobicContact CG1-CB 4.13Å; V467-L480 HydrophobicContact CG1-CD1 3.9Å; Y468-L480 CarbonylContact O-C 3.59Å; Y468-L480 WeakPolarHBondContact O-CA 3.06Å; H469-L480 WeakPolarHBondContact ND1-CD2 3.21Å; R470-L480 WeakPolarHBondContact CD-O 3.49Å; R470-L480 PolarHBondContact NE-O 2.92Å; R470-L480 VanDerWaalsContact NE-O 3.11Å; Q478-L480 HydrophobicContact CB-CD2 4.28Å; Q478-L480 HydrophobicContact CB-CG 4.11Å; Q478-L480 PolarHBondContact O-N 3.34Å; L480-L500 HydrophobicContact CB-CB 4.09Å; L480-L500 HydrophobicContact CB-CD2 4.45Å; L480-L500 HydrophobicContact CD1-CD2 4.4Å; L480-L500 PolarHBondContact O-N 2.91Å; L480-L502 HydrophobicContact CD1-CD1 3.94Å; L480-L502 HydrophobicContact CG-CD1 4.1Å; L480-L508 HydrophobicContact CD1-CB 3.87Å; L480-L508 HydrophobicContact CD1-CD2 4.15Å
481	G	96.1	Very high	89.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.7	168.4	0	0	0	0	0	110.9	Y468 E498	Y468-G481 WeakPolarHBondContact CD1-O 3.24Å; Y468-G481 PolarHBondContact N-O 3.41Å; Y468-G481 PolarHBondContact O-N 2.86Å; G481-E498 CarbonylContact C-O 3.59Å; G481-E498 VanDerWaalsContact CA-O 3.27Å; G481-E498 WeakPolarHBondContact CA-O 3.25Å
482	V	96.2	Very high	88.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.9	178.6	64.9	0	0	0	0	112	L465 V467 M495 G497 E498 L500 W539	L465-V482 HydrophobicContact CD1-CG2 3.5Å; V467-V482 HydrophobicContact CG2-CG2 4.32Å; V482-M495 HydrophobicContact CG1-CE 4.1Å; V482-M495 HydrophobicContact CG1-SD 4.12Å; V482-G497 VanDerWaalsContact O-CA 3.28Å; V482-G497 WeakPolarHBondContact O-CA 3.31Å; V482-G497 PolarHBondContact O-N 2.66Å; V482-E498 HydrophobicContact CG1-CB 4.25Å; V482-E498 PolarHBondContact N-O 3.19Å; V482-E498 PolarHBondContact O-N 3.33Å; V482-L500 HydrophobicContact CB-CD1 4.13Å; V482-L500 HydrophobicContact CG1-CD1 4.19Å; V482-W539 HydrophobicContact CG1-CZ2 4.21Å; V482-W539 HydrophobicContact CG2-CZ2 4.2Å
483	Q	94.7	Very high	88.5	Confident	16 Å²	16	61.6 Å²	61.6	8%	0.075	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.3	172.2	-158.1	179.8	2.2	0	0	108.1	V466 Y468 L485	V466-Q483 HydrophobicContact CB-CB 4.41Å; V466-Q483 PolarHBondContact N-O 3.32Å; V466-Q483 PolarHBondContact O-N 3.45Å; Y468-Q483 HydrophobicContact CE1-CB 4.37Å; Q483-L485 HydrophobicContact CB-CD1 4.33Å; Q483-L485 HydrophobicContact CG-CD1 3.83Å; Q483-L485 HydrophobicContact CG-CG 4.46Å
484	L	94.4	Very high	88.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.9	178.9	-177.7	64.9	0	0	0	108.1	L464 L465 Q493 L494 M495 F513 L531	L464-L484 WeakPolarHBondContact O-CA 3.39Å; L465-L484 HydrophobicContact CB-CD1 4.38Å; L465-L484 HydrophobicContact CD1-CD1 4.3Å; L484-Q493 CarbonylContact O-C 3.55Å; L484-L494 HydrophobicContact CB-CB 4.3Å; L484-L494 HydrophobicContact CD2-CB 3.98Å; L484-L494 HydrophobicContact CD2-CD1 3.98Å; L484-L494 HydrophobicContact CG-CB 4.1Å; L484-L494 HydrophobicContact CG-CD1 4.2Å; L484-L494 PolarHBondContact O-N 2.69Å; L484-M495 HydrophobicContact CB-CB 3.99Å; L484-M495 HydrophobicContact CB-CG 3.98Å; L484-M495 HydrophobicContact CB-SD 4.36Å; L484-M495 HydrophobicContact CD2-CG 4.42Å; L484-M495 HydrophobicContact CD2-SD 4.45Å; L484-M495 PolarHBondContact N-O 2.81Å; L484-M495 PolarHBondContact O-N 2.76Å; L484-F513 HydrophobicContact CD1-CE1 4.46Å; L484-F513 HydrophobicContact CD1-CZ 4.24Å; L484-L531 HydrophobicContact CD2-CD2 3.67Å
485	L	92.3	Very high	87.8	Confident	20 Å²	20	59.4 Å²	59.4	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151	-178.7	-54.7	91.9	0	0	0	109.9	Q463 L464 V466 Q483 F487 R492	Q463-L485 CarbonylContact C-O 3.59Å; Q463-L485 WeakPolarHBondContact CA-O 3.48Å; L464-L485 HydrophobicContact CB-CB 4.48Å; L464-L485 HydrophobicContact CD2-CD1 4.33Å; L464-L485 HydrophobicContact CG-CD1 4.49Å; L464-L485 PolarHBondContact N-O 3.08Å; L464-L485 PolarHBondContact O-N 2.94Å; V466-L485 HydrophobicContact CG2-CD1 4.45Å; Q483-L485 HydrophobicContact CB-CD1 4.33Å; Q483-L485 HydrophobicContact CG-CD1 3.83Å; Q483-L485 HydrophobicContact CG-CG 4.46Å; L485-F487 HydrophobicContact CB-CE1 3.94Å; L485-F487 HydrophobicContact CB-CZ 4.17Å; L485-F487 HydrophobicContact CD2-CE1 4.14Å; L485-R492 CarbonylContact C-O 3.55Å; L485-R492 WeakPolarHBondContact CA-O 3.49Å
486	Q	90.3	Very high	87.6	Confident	22 Å²	22	59.8 Å²	59.8	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.5	171.9	-172.4	176.3	3.2	0	0	109.1	E462 K491 R492	E462-Q486 HydrophobicContact CB-CG 4.18Å; E462-Q486 CarbonylContact O-C 3.47Å; E462-Q486 WeakPolarHBondContact O-CA 3.08Å; Q486-K491 WeakPolarHBondContact O-CA 3.47Å; Q486-R492 PolarHBondContact N-O 3.38Å; Q486-R492 PolarHBondContact O-N 3.09Å
487	F	84.4	Confident	87.4	Confident	37 Å²	37	59 Å²	59	16%	0.162	27%	0.269	C	S	.	.			trans	-102.3	10.6	-167.1	-63.1	-44.7	0	0	0	115.8	W425 L437 E462 L464 L485	W425-F487 HydrophobicContact CD2-CD2 4.16Å; W425-F487 HydrophobicContact CD2-CE2 4.45Å; W425-F487 AromaticContact CE2-CD2 3.92Å; W425-F487 HydrophobicContact CE3-CD2 4.42Å; W425-F487 HydrophobicContact CE3-CE2 4.25Å; W425-F487 HydrophobicContact CH2-CD2 4.33Å; W425-F487 HydrophobicContact CH2-CE2 4.11Å; W425-F487 HydrophobicContact CZ2-CD2 4.01Å; W425-F487 HydrophobicContact CZ2-CE2 4.26Å; W425-F487 HydrophobicContact CZ3-CE2 4.11Å; L437-F487 HydrophobicContact CD1-CD1 4.31Å; L437-F487 HydrophobicContact CD1-CE1 3.72Å; L437-F487 HydrophobicContact CD1-CE2 4.11Å; L437-F487 HydrophobicContact CD1-CZ 3.59Å; L437-F487 HydrophobicContact CD2-CE2 3.88Å; L437-F487 HydrophobicContact CD2-CZ 3.74Å; L437-F487 HydrophobicContact CG-CZ 4.32Å; E462-F487 PolarHBondContact O-N 3.11Å; L464-F487 HydrophobicContact CB-CD2 4.42Å; L464-F487 HydrophobicContact CB-CE2 3.56Å; L464-F487 HydrophobicContact CB-CZ 3.92Å; L464-F487 HydrophobicContact CD2-CE2 3.83Å; L464-F487 HydrophobicContact CD2-CZ 3.63Å; L464-F487 HydrophobicContact CG-CE2 4.32Å; L464-F487 HydrophobicContact CG-CZ 4.42Å; L485-F487 HydrophobicContact CB-CE1 3.94Å; L485-F487 HydrophobicContact CB-CZ 4.17Å; L485-F487 HydrophobicContact CD2-CE1 4.14Å
488	G	71.2	Confident	87.3	Confident	11 Å²	11	59.4 Å²	59.4	11%	0.113	27%	0.271	C	S	.	.	S	Bend	trans	-68	-169.1	179.1	0	0	0	0	0	115.8	E462 R490 K491	E462-G488 WeakPolarHBondContact OE1-CA 3.17Å; E462-G488 WeakPolarHBondContact OE2-CA 3.32Å; E462-G488 PolarHBondContact OE2-N 3.4Å; G488-R490 CarbonylContact O-C 3.58Å; G488-R490 PolarHBondContact O-N 3.49Å; G488-K491 PolarHBondContact O-N 2.88Å
489	R	69.6	Low	87.3	Confident	267 Å²	267	61.2 Å²	61.2	100%	1.008	29%	0.285	S	S	*	.	S	Bend	trans	-45.2	-32.2	-172.7	-63.1	-172.7	-175.3	-171.9	3.7	115
490	R	74.3	Confident	87.4	Confident	193 Å²	193	61 Å²	61	73%	0.728	28%	0.282	S	S	*	.	S	Bend	trans	-121.2	116	161.8	-67.4	-177.5	-178.3	170.1	2.4	107.5	G488 R492	G488-R490 CarbonylContact O-C 3.58Å; G488-R490 PolarHBondContact O-N 3.49Å; R490-R492 PolarHBondContact O-N 3.18Å
491	K	84.3	Confident	87.3	Confident	118 Å²	118	63.8 Å²	63.8	51%	0.513	30%	0.3	S	S	.	.			trans	-63.5	132.7	175.6	-58.4	-176	-172.6	-179	0	109.7	E446 Q486 G488	E446-K491 IonicContact OE1-NZ 3.99Å; E446-K491 PolarHBondContact OE1-NZ 3.43Å; E446-K491 IonicContact OE2-NZ 3.5Å; E446-K491 PolarHBondContact OE2-NZ 3.08Å; Q486-K491 WeakPolarHBondContact O-CA 3.47Å; G488-K491 PolarHBondContact O-N 2.88Å
492	R	84.7	Confident	87.3	Confident	150 Å²	150	65.4 Å²	65.4	57%	0.566	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.4	179.3	-60	-176.4	-168.8	-168.1	5	109.9	L485 Q486 R490 L494	L485-R492 CarbonylContact C-O 3.55Å; L485-R492 WeakPolarHBondContact CA-O 3.49Å; Q486-R492 PolarHBondContact N-O 3.38Å; Q486-R492 PolarHBondContact O-N 3.09Å; R490-R492 PolarHBondContact O-N 3.18Å; R492-L494 HydrophobicContact CB-CD2 4.32Å
493	Q	85.6	Confident	87.3	Confident	97 Å²	97	66.4 Å²	66.4	45%	0.453	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	108.3	166	-173.6	172	-2.6	0	0	107.1	L484 M495 S496	L484-Q493 CarbonylContact O-C 3.55Å; Q493-M495 WeakPolarHBondContact CG-O 3.41Å; Q493-M495 PolarHBondContact NE2-O 3.27Å; Q493-S496 PolarHBondContact NE2-OG 3.18Å
494	L	82.2	Confident	87.2	Confident	50 Å²	50	70.2 Å²	70.2	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-27.7	-175.4	-61.9	178.1	0	0	0	112.1	L484 R492	L484-L494 HydrophobicContact CB-CB 4.3Å; L484-L494 HydrophobicContact CD2-CB 3.98Å; L484-L494 HydrophobicContact CD2-CD1 3.98Å; L484-L494 HydrophobicContact CG-CB 4.1Å; L484-L494 HydrophobicContact CG-CD1 4.2Å; L484-L494 PolarHBondContact O-N 2.69Å; R492-L494 HydrophobicContact CB-CD2 4.32Å
495	M	85.9	Confident	87.2	Confident	17 Å²	17	76.6 Å²	76.6	8%	0.084	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136	173.7	-55.8	-175.3	86.8	0	0	109.8	V482 L484 Q493 E498 L531 N537 W539	V482-M495 HydrophobicContact CG1-CE 4.1Å; V482-M495 HydrophobicContact CG1-SD 4.12Å; L484-M495 HydrophobicContact CB-CB 3.99Å; L484-M495 HydrophobicContact CB-CG 3.98Å; L484-M495 HydrophobicContact CB-SD 4.36Å; L484-M495 HydrophobicContact CD2-CG 4.42Å; L484-M495 HydrophobicContact CD2-SD 4.45Å; L484-M495 PolarHBondContact N-O 2.81Å; L484-M495 PolarHBondContact O-N 2.76Å; Q493-M495 WeakPolarHBondContact CG-O 3.41Å; Q493-M495 PolarHBondContact NE2-O 3.27Å; M495-E498 HydrophobicContact CB-CG 4.46Å; M495-E498 HydrophobicContact CE-CB 4.05Å; M495-E498 HydrophobicContact CE-CG 4.08Å; M495-L531 HydrophobicContact SD-CD1 4.05Å; M495-N537 WeakPolarHBondContact CE-O 3.35Å; M495-W539 HydrophobicContact SD-CZ2 4.13Å
496	S	85.2	Confident	87.3	Confident	85 Å²	85	75.7 Å²	75.7	59%	0.594	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	61.8	-171.8	-171.8	0	0	0	0	113.8	Q493	Q493-S496 PolarHBondContact NE2-OG 3.18Å
497	G	84.6	Confident	87.6	Confident	18 Å²	18	78.9 Å²	78.9	19%	0.186	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.4	18.7	175.7	0	0	0	0	0	114.3	Y468 V482	Y468-G497 WeakPolarHBondContact OH-CA 3.45Å; V482-G497 VanDerWaalsContact O-CA 3.28Å; V482-G497 WeakPolarHBondContact O-CA 3.31Å; V482-G497 PolarHBondContact O-N 2.66Å
498	E	91.9	Very high	88.2	Confident	101 Å²	101	77.2 Å²	77.2	47%	0.472	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	143.2	176.4	-66.7	-55.5	142.4	0	0	111.7	G481 V482 M495 L500	G481-E498 CarbonylContact C-O 3.59Å; G481-E498 VanDerWaalsContact CA-O 3.27Å; G481-E498 WeakPolarHBondContact CA-O 3.25Å; V482-E498 HydrophobicContact CG1-CB 4.25Å; V482-E498 PolarHBondContact N-O 3.19Å; V482-E498 PolarHBondContact O-N 3.33Å; M495-E498 HydrophobicContact CB-CG 4.46Å; M495-E498 HydrophobicContact CE-CB 4.05Å; M495-E498 HydrophobicContact CE-CG 4.08Å; E498-L500 PolarHBondContact O-N 2.84Å
499	P	94.6	Very high	89.3	Confident	67 Å²	67	79 Å²	79	44%	0.435	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.1	179.1	28.3	-34.3	0	0	0	110.5	P501	P499-P501 VanDerWaalsContact O-CD 3.24Å; P499-P501 WeakPolarHBondContact O-CD 3.24Å
500	L	95.8	Very high	90.6	Very high	10 Å²	10	67.2 Å²	67.2	5%	0.052	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-81	118	-179.6	-171.3	66.3	0	0	0	110.9	V467 L480 V482 E498 L502 L508 Y521 W539	V467-L500 HydrophobicContact CG1-CD2 3.6Å; V467-L500 HydrophobicContact CG2-CD2 4.04Å; L480-L500 HydrophobicContact CB-CB 4.09Å; L480-L500 HydrophobicContact CB-CD2 4.45Å; L480-L500 HydrophobicContact CD1-CD2 4.4Å; L480-L500 PolarHBondContact O-N 2.91Å; V482-L500 HydrophobicContact CB-CD1 4.13Å; V482-L500 HydrophobicContact CG1-CD1 4.19Å; E498-L500 PolarHBondContact O-N 2.84Å; L500-L502 PolarHBondContact O-N 2.96Å; L500-L508 HydrophobicContact CD2-CD1 4.33Å; L500-Y521 HydrophobicContact CD1-CD1 4.03Å; L500-Y521 HydrophobicContact CD1-CE1 3.37Å; L500-Y521 HydrophobicContact CD1-CE2 4.21Å; L500-Y521 VanDerWaalsContact CD1-CZ 3.46Å; L500-Y521 HydrophobicContact CD2-CD2 4.44Å; L500-Y521 HydrophobicContact CD2-CE2 4.27Å; L500-Y521 HydrophobicContact CG-CE1 4.14Å; L500-Y521 HydrophobicContact CG-CE2 4.07Å; L500-W539 HydrophobicContact CD1-CD2 4.49Å; L500-W539 HydrophobicContact CD1-CZ2 4.01Å
501	P	95.9	Very high	91.7	Very high	60 Å²	60	58 Å²	58	39%	0.39	30%	0.3	S	S	.	.			trans	-70.3	99.4	-175.8	-23.6	36.5	0	0	0	114.5	P499 Y521 R529 W539	P499-P501 VanDerWaalsContact O-CD 3.24Å; P499-P501 WeakPolarHBondContact O-CD 3.24Å; P501-Y521 VanDerWaalsContact CD-OH 3.32Å; P501-Y521 WeakPolarHBondContact CD-OH 3.48Å; P501-Y521 PolarHBondContact O-OH 3.02Å; P501-R529 WeakPolarHBondContact O-CD 3.39Å; P501-R529 PolarHBondContact O-NE 3.42Å; P501-R529 PolarHBondContact O-NH2 3.03Å; P501-W539 VanDerWaalsContact CD-CD1 3.42Å; P501-W539 HydrophobicContact CG-CB 4.3Å; P501-W539 HydrophobicContact CG-CG 4.44Å
502	L	95.8	Very high	92.3	Very high	34 Å²	34	52.7 Å²	52.7	18%	0.178	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-89.3	165.4	171.2	-67.2	176.6	0	0	0	112.2	Q478 L480 L500 L508 Y521 D523 R529	Q478-L502 HydrophobicContact CB-CD1 3.83Å; L480-L502 HydrophobicContact CD1-CD1 3.94Å; L480-L502 HydrophobicContact CG-CD1 4.1Å; L500-L502 PolarHBondContact O-N 2.96Å; L502-L508 HydrophobicContact CD2-CD1 4.5Å; L502-Y521 HydrophobicContact CD2-CE2 4.27Å; L502-D523 HydrophobicContact CD2-CB 4.1Å; L502-R529 VanDerWaalsContact C-NH2 3.35Å
503	S	95.1	Very high	92.8	Very high	21 Å²	21	46.5 Å²	46.5	15%	0.147	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-77.2	155.7	166.6	-62.6	0	0	0	0	110.6	K505 S506 D523 N525 R529	S503-K505 PolarHBondContact O-N 2.97Å; S503-S506 WeakPolarHBondContact CA-OG 3.29Å; S503-S506 PolarHBondContact N-OG 2.96Å; S503-S506 VanDerWaalsContact N-OG 3.09Å; S503-S506 VanDerWaalsContact O-CB 3.3Å; S503-S506 WeakPolarHBondContact O-CB 3.38Å; S503-S506 PolarHBondContact O-N 3.39Å; S503-S506 PolarHBondContact O-OG 3.37Å; S503-D523 VanDerWaalsContact CB-OD2 3.25Å; S503-D523 WeakPolarHBondContact CB-OD2 3.5Å; S503-D523 PolarHBondContact N-OD2 3.26Å; S503-D523 PolarHBondContact OG-OD2 2.98Å; S503-N525 WeakPolarHBondContact CB-ND2 3.48Å; S503-R529 PolarHBondContact OG-NH2 3.12Å; S503-R529 VanDerWaalsContact OG-NH2 3.09Å
504	P	94.3	Very high	93.3	Very high	96 Å²	96	42 Å²	42	62%	0.623	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	136.8	176.9	-27.7	35.7	0	0	0	112.5	E477 S506 N525	E477-P504 VanDerWaalsContact OE1-CA 3.32Å; E477-P504 WeakPolarHBondContact OE1-CA 3.48Å; P504-S506 PolarHBondContact O-N 3.39Å; P504-N525 PolarHBondContact O-ND2 3.06Å
505	K	93.3	Very high	93.8	Very high	135 Å²	135	42 Å²	42	59%	0.587	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	37.4	-177.3	-54.1	-177.7	-174.2	-98.3	0	114.1	D475 G476 E477 S503	D475-K505 WeakPolarHBondContact O-CD 3.31Å; D475-K505 WeakPolarHBondContact O-CG 3.26Å; D475-K505 PolarHBondContact O-NZ 3.4Å; G476-K505 CarbonylContact O-C 3.57Å; E477-K505 HydrophobicContact CG-CG 4.38Å; E477-K505 PolarHBondContact OE1-N 2.91Å; S503-K505 PolarHBondContact O-N 2.97Å
506	S	95	Very high	94.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	24%	0.244	C	C	.	.			trans	-118.1	159.1	178.6	78.3	0	0	0	0	113.1	S503 P504 S524	S503-S506 WeakPolarHBondContact CA-OG 3.29Å; S503-S506 PolarHBondContact N-OG 2.96Å; S503-S506 VanDerWaalsContact N-OG 3.09Å; S503-S506 VanDerWaalsContact O-CB 3.3Å; S503-S506 WeakPolarHBondContact O-CB 3.38Å; S503-S506 PolarHBondContact O-N 3.39Å; S503-S506 PolarHBondContact O-OG 3.37Å; P504-S506 PolarHBondContact O-N 3.39Å; S506-S524 VanDerWaalsContact CA-OG 3.24Å; S506-S524 WeakPolarHBondContact CA-OG 3.49Å; S506-S524 VanDerWaalsContact CB-OG 3.23Å; S506-S524 WeakPolarHBondContact CB-OG 3.46Å
507	Y	95.8	Very high	94.5	Very high	89 Å²	89	38.4 Å²	38.4	35%	0.349	22%	0.216	S	C	.	.			trans	-123.4	159	175	61	-95.2	0	0	0	110.9	C509 D523 S524 R577	Y507-C509 WeakPolarHBondContact CE2-SG 3.33Å; Y507-D523 CarbonylContact O-C 3.55Å; Y507-D523 WeakPolarHBondContact O-CA 3.27Å; Y507-S524 VanDerWaalsContact CE1-CB 3.48Å; Y507-S524 PolarHBondContact N-OG 2.73Å; Y507-S524 WeakPolarHBondContact O-CB 3.41Å; Y507-S524 PolarHBondContact O-N 3.32Å; Y507-R577 VanDerWaalsContact OH-CD 3.32Å; Y507-R577 WeakPolarHBondContact OH-CD 3.43Å; Y507-R577 PolarHBondContact OH-NE 2.75Å
508	L	97	Very high	95	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128	178.9	-171.2	68.7	0	0	0	110.8	Q311 F314 V455 C456 V467 L480 L500 L502 Y521	Q311-L508 PolarHBondContact NE2-O 3Å; F314-L508 HydrophobicContact CE1-CB 4.46Å; F314-L508 HydrophobicContact CE1-CD2 4.39Å; F314-L508 HydrophobicContact CE1-CG 4.35Å; F314-L508 WeakPolarHBondContact CE1-O 2.72Å; F314-L508 HydrophobicContact CZ-CD2 4.42Å; F314-L508 HydrophobicContact CZ-CG 4.16Å; V455-L508 HydrophobicContact CG1-CD2 3.99Å; C456-L508 WeakPolarHBondContact SG-CD2 3.41Å; V467-L508 HydrophobicContact CB-CD2 4.11Å; V467-L508 HydrophobicContact CG1-CD2 3.82Å; V467-L508 HydrophobicContact CG2-CD2 4.31Å; L480-L508 HydrophobicContact CD1-CB 3.87Å; L480-L508 HydrophobicContact CD1-CD2 4.15Å; L500-L508 HydrophobicContact CD2-CD1 4.33Å; L502-L508 HydrophobicContact CD2-CD1 4.5Å; L508-Y521 HydrophobicContact CD1-CD2 3.62Å; L508-Y521 HydrophobicContact CD1-CG 4.07Å
509	C	95.4	Very high	95.1	Very high	47 Å²	47	32.9 Å²	32.9	32%	0.318	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-24.4	-178.2	-70.7	0	0	0	0	114.3	F314 Y507 V522 S524	F314-C509 VanDerWaalsContact CE2-O 3.24Å; F314-C509 WeakPolarHBondContact CE2-O 3.41Å; Y507-C509 WeakPolarHBondContact CE2-SG 3.33Å; C509-V522 PolarHBondContact N-O 2.82Å; C509-S524 WeakPolarHBondContact SG-CA 3.31Å
510	W	97.1	Very high	95.2	Very high	20 Å²	20	29.8 Å²	29.8	8%	0.076	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	143.6	178.1	-176.9	98.6	0	0	0	108.9	P316 C520 Y521 V522 V558	P316-W510 HydrophobicContact CB-CG 4.48Å; W510-C520 HydrophobicContact CZ3-CB 3.95Å; W510-Y521 CarbonylContact O-C 3.41Å; W510-Y521 VanDerWaalsContact O-CA 3.29Å; W510-Y521 WeakPolarHBondContact O-CA 3.29Å; W510-Y521 VanDerWaalsContact O-CB 3.3Å; W510-Y521 WeakPolarHBondContact O-CB 3.41Å; W510-V522 HydrophobicContact CB-CB 4.23Å; W510-V522 HydrophobicContact CB-CG2 4.26Å; W510-V522 HydrophobicContact CE3-CG2 3.99Å; W510-V522 PolarHBondContact N-O 3.44Å; W510-V522 PolarHBondContact O-N 2.82Å; W510-V558 HydrophobicContact CD2-CB 4.38Å; W510-V558 HydrophobicContact CD2-CG1 4.05Å; W510-V558 HydrophobicContact CE3-CG1 4.4Å; W510-V558 HydrophobicContact CG-CB 4.24Å; W510-V558 HydrophobicContact CG-CG1 4.41Å; W510-V558 HydrophobicContact CZ2-CG1 4.28Å; W510-V558 PolarHBondContact NE1-O 2.82Å
511	A	96.8	Very high	95.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.1	167.8	0	0	0	0	0	108.8	P316 L465 C520	P316-A511 WeakPolarHBondContact CB-O 3.44Å; P316-A511 WeakPolarHBondContact CG-O 3.33Å; L465-A511 HydrophobicContact CD2-CB 4.27Å; A511-C520 WeakPolarHBondContact CA-O 3.43Å
512	G	96.1	Very high	95.4	Very high	6 Å²	6	27 Å²	27	6%	0.062	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-160.7	-175.4	0	0	0	0	0	111.7	C520	G512-C520 PolarHBondContact N-O 2.93Å; G512-C520 PolarHBondContact O-N 3.06Å; G512-C520 VanDerWaalsContact O-O 3.06Å
513	F	96.4	Very high	95.4	Very high	19 Å²	19	25.5 Å²	25.5	8%	0.083	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	160.1	171	-67.6	-96.2	0	0	0	110.1	A458 H460 Q463 L465 L484 T518 A519	A458-F513 HydrophobicContact CB-CD2 4.18Å; A458-F513 HydrophobicContact CB-CE2 4.16Å; H460-F513 HydrophobicContact CB-CB 3.68Å; H460-F513 HydrophobicContact CB-CD1 3.89Å; H460-F513 HydrophobicContact CB-CD2 3.47Å; H460-F513 VanDerWaalsContact CB-CD2 3.47Å; H460-F513 HydrophobicContact CB-CE1 4.39Å; H460-F513 HydrophobicContact CB-CE2 4.03Å; H460-F513 HydrophobicContact CB-CG 3.4Å; H460-F513 HydrophobicContact CB-CZ 4.45Å; Q463-F513 HydrophobicContact CB-CE1 3.85Å; Q463-F513 HydrophobicContact CB-CZ 3.73Å; L465-F513 HydrophobicContact CB-CE2 3.81Å; L465-F513 HydrophobicContact CB-CZ 3.8Å; L484-F513 HydrophobicContact CD1-CE1 4.46Å; L484-F513 HydrophobicContact CD1-CZ 4.24Å; F513-T518 CarbonylContact C-O 3.56Å; F513-T518 VanDerWaalsContact CA-O 3.31Å; F513-T518 WeakPolarHBondContact CA-O 3.43Å; F513-A519 HydrophobicContact CD1-CB 4.13Å; F513-A519 HydrophobicContact CE1-CB 3.9Å
514	T	96	Very high	95.4	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-65.9	163.7	157.7	59.8	0	0	0	0	109.7	H460 E516 G517 T518 A561 E563	H460-T514 PolarHBondContact CD2-O 2.91Å; T514-E516 WeakPolarHBondContact CB-OE2 3.46Å; T514-E516 PolarHBondContact O-N 2.95Å; T514-G517 PolarHBondContact O-N 2.89Å; T514-G517 VanDerWaalsContact O-N 3.12Å; T514-G517 PolarHBondContact OG1-N 3.31Å; T514-T518 PolarHBondContact N-O 2.83Å; T514-T518 PolarHBondContact OG1-N 2.77Å; T514-T518 PolarHBondContact OG1-O 2.86Å; T514-A561 CarbonylContact C-O 3.53Å; T514-A561 WeakPolarHBondContact CA-O 3.25Å; T514-A561 HydrophobicContact CG2-CB 4Å; T514-E563 WeakPolarHBondContact CB-OE1 3.37Å; T514-E563 HydrophobicContact CG2-CG 3.72Å; T514-E563 WeakPolarHBondContact CG2-OE1 3.38Å; T514-E563 PolarHBondContact OG1-OE1 2.89Å
515	A	92.8	Very high	95.3	Very high	50 Å²	50	23.4 Å²	23.4	41%	0.413	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	174.1	0	0	0	0	0	112.1	H460 A561 H562	H460-A515 PolarHBondContact NE2-O 3.49Å; A515-A561 PolarHBondContact N-O 2.92Å; A515-H562 WeakPolarHBondContact CB-ND1 3.47Å
516	E	91.8	Very high	95.2	Very high	28 Å²	28	17.5 Å²	17.5	13%	0.131	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.1	-178.3	-55.8	79.6	177.8	0	0	113.2	T514 H562 E563 N564 H619	T514-E516 WeakPolarHBondContact CB-OE2 3.46Å; T514-E516 PolarHBondContact O-N 2.95Å; E516-H562 WeakPolarHBondContact OE2-CA 3.4Å; E516-E563 HydrophobicContact CB-CB 4.43Å; E516-E563 HydrophobicContact CB-CG 4.43Å; E516-E563 HydrophobicContact CG-CB 3.99Å; E516-E563 HydrophobicContact CG-CG 4.45Å; E516-E563 PolarHBondContact OE1-N 3.33Å; E516-E563 PolarHBondContact OE2-N 2.9Å; E516-N564 PolarHBondContact OE1-N 3.09Å; E516-H619 HydrophobicContact CB-CB 4.2Å
517	G	92.4	Very high	95.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	93.2	24	170.5	0	0	0	0	0	116.2	H460 Q463 T514 R533	H460-G517 WeakPolarHBondContact CE1-CA 3.44Å; H460-G517 WeakPolarHBondContact ND1-CA 3.11Å; H460-G517 PolarHBondContact NE2-N 3.23Å; Q463-G517 PolarHBondContact NE2-O 2.89Å; T514-G517 PolarHBondContact O-N 2.89Å; T514-G517 VanDerWaalsContact O-N 3.12Å; T514-G517 PolarHBondContact OG1-N 3.31Å; G517-R533 PolarHBondContact O-NH2 3.42Å
518	T	95.3	Very high	95.3	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.012	9%	0.091	C	C	.	.			trans	-96.9	128.1	171.2	-54.1	0	0	0	0	111	F513 T514 M530 L531 E563	F513-T518 CarbonylContact C-O 3.56Å; F513-T518 VanDerWaalsContact CA-O 3.31Å; F513-T518 WeakPolarHBondContact CA-O 3.43Å; T514-T518 PolarHBondContact N-O 2.83Å; T514-T518 PolarHBondContact OG1-N 2.77Å; T514-T518 PolarHBondContact OG1-O 2.86Å; T518-M530 HydrophobicContact CG2-CE 3.76Å; T518-M530 HydrophobicContact CG2-CG 3.77Å; T518-L531 HydrophobicContact CG2-CB 4.04Å; T518-L531 WeakPolarHBondContact CG2-O 3.37Å; T518-E563 WeakPolarHBondContact CB-OE1 3.22Å; T518-E563 PolarHBondContact OG1-OE1 3.08Å
519	A	95.7	Very high	95.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.7	179.6	0	0	0	0	0	111.7	L465 F513 L531 W539	L465-A519 HydrophobicContact CD1-CB 4.36Å; L465-A519 HydrophobicContact CD2-CB 4.29Å; F513-A519 HydrophobicContact CD1-CB 4.13Å; F513-A519 HydrophobicContact CE1-CB 3.9Å; A519-L531 HydrophobicContact CB-CB 4.16Å; A519-L531 HydrophobicContact CB-CD2 4.29Å; A519-L531 WeakPolarHBondContact O-CB 3.3Å; A519-L531 PolarHBondContact O-N 2.97Å; A519-W539 HydrophobicContact CB-CH2 3.95Å; A519-W539 HydrophobicContact CB-CZ3 4.25Å
520	C	96.5	Very high	95.4	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.014	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.9	-178.2	-78.6	0	0	0	0	111.5	W510 A511 G512 R529	W510-C520 HydrophobicContact CZ3-CB 3.95Å; A511-C520 WeakPolarHBondContact CA-O 3.43Å; G512-C520 PolarHBondContact N-O 2.93Å; G512-C520 PolarHBondContact O-N 3.06Å; G512-C520 VanDerWaalsContact O-O 3.06Å; C520-R529 CarbonylContact C-O 3.59Å; C520-R529 VanDerWaalsContact CA-O 3.25Å; C520-R529 WeakPolarHBondContact CA-O 3.3Å
521	Y	97.4	Very high	95.3	Very high	3 Å²	3	12.7 Å²	12.7	1%	0.012	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	166.8	171	68.1	-85.4	0	0	0	113.8	L500 P501 L502 L508 W510 V528 R529 W539	L500-Y521 HydrophobicContact CD1-CD1 4.03Å; L500-Y521 HydrophobicContact CD1-CE1 3.37Å; L500-Y521 HydrophobicContact CD1-CE2 4.21Å; L500-Y521 VanDerWaalsContact CD1-CZ 3.46Å; L500-Y521 HydrophobicContact CD2-CD2 4.44Å; L500-Y521 HydrophobicContact CD2-CE2 4.27Å; L500-Y521 HydrophobicContact CG-CE1 4.14Å; L500-Y521 HydrophobicContact CG-CE2 4.07Å; P501-Y521 VanDerWaalsContact CD-OH 3.32Å; P501-Y521 WeakPolarHBondContact CD-OH 3.48Å; P501-Y521 PolarHBondContact O-OH 3.02Å; L502-Y521 HydrophobicContact CD2-CE2 4.27Å; L508-Y521 HydrophobicContact CD1-CD2 3.62Å; L508-Y521 HydrophobicContact CD1-CG 4.07Å; W510-Y521 CarbonylContact O-C 3.41Å; W510-Y521 VanDerWaalsContact O-CA 3.29Å; W510-Y521 WeakPolarHBondContact O-CA 3.29Å; W510-Y521 VanDerWaalsContact O-CB 3.3Å; W510-Y521 WeakPolarHBondContact O-CB 3.41Å; Y521-V528 WeakPolarHBondContact O-CA 3.35Å; Y521-R529 HydrophobicContact CD1-CB 4.3Å; Y521-R529 HydrophobicContact CE1-CB 3.86Å; Y521-R529 HydrophobicContact CE2-CB 4.27Å; Y521-R529 PolarHBondContact N-O 2.94Å; Y521-R529 PolarHBondContact O-N 2.91Å; Y521-R529 WeakPolarHBondContact OH-CD 3.33Å; Y521-W539 HydrophobicContact CD1-CD2 4.44Å; Y521-W539 AromaticContact CD1-CE3 3.93Å; Y521-W539 HydrophobicContact CD1-CE3 3.93Å; Y521-W539 HydrophobicContact CD1-CH2 4.18Å; Y521-W539 AromaticContact CD1-CZ3 3.77Å; Y521-W539 HydrophobicContact CD1-CZ3 3.77Å; Y521-W539 AromaticContact CE1-CD2 3.58Å; Y521-W539 HydrophobicContact CE1-CD2 3.58Å; Y521-W539 AromaticContact CE1-CE3 3.43Å; Y521-W539 HydrophobicContact CE1-CE3 3.43Å; Y521-W539 VanDerWaalsContact CE1-CE3 3.43Å; Y521-W539 HydrophobicContact CE1-CG 4.08Å; Y521-W539 HydrophobicContact CE1-CH2 4.18Å; Y521-W539 HydrophobicContact CE1-CZ2 4.33Å; Y521-W539 AromaticContact CE1-CZ3 3.74Å; Y521-W539 HydrophobicContact CE1-CZ3 3.74Å
522	V	97.3	Very high	95.2	Very high	8 Å²	8	13.6 Å²	13.6	5%	0.048	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.5	-177.2	-165.3	0	0	0	0	110.7	C509 W510 L527 V528 V558	C509-V522 PolarHBondContact N-O 2.82Å; W510-V522 HydrophobicContact CB-CB 4.23Å; W510-V522 HydrophobicContact CB-CG2 4.26Å; W510-V522 HydrophobicContact CE3-CG2 3.99Å; W510-V522 PolarHBondContact N-O 3.44Å; W510-V522 PolarHBondContact O-N 2.82Å; V522-L527 WeakPolarHBondContact CA-O 3.25Å; V522-V528 HydrophobicContact CG1-CG2 4.21Å; V522-V528 HydrophobicContact CG2-CB 4.39Å; V522-V528 HydrophobicContact CG2-CG1 4.19Å; V522-V528 HydrophobicContact CG2-CG2 3.95Å; V522-V558 HydrophobicContact CG2-CB 4.39Å; V522-V558 HydrophobicContact CG2-CG2 4.03Å
523	D	95.9	Very high	94.7	Very high	3 Å²	3	15 Å²	15	2%	0.016	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	171.4	176	69.1	29.9	0	0	0	113.6	L502 S503 Y507 N525 G526 L527 R529	L502-D523 HydrophobicContact CD2-CB 4.1Å; S503-D523 VanDerWaalsContact CB-OD2 3.25Å; S503-D523 WeakPolarHBondContact CB-OD2 3.5Å; S503-D523 PolarHBondContact N-OD2 3.26Å; S503-D523 PolarHBondContact OG-OD2 2.98Å; Y507-D523 CarbonylContact O-C 3.55Å; Y507-D523 WeakPolarHBondContact O-CA 3.27Å; D523-N525 PolarHBondContact O-N 2.99Å; D523-N525 VanDerWaalsContact O-N 3.15Å; D523-N525 VanDerWaalsContact OD1-C 3.28Å; D523-N525 VanDerWaalsContact OD1-CA 3.28Å; D523-N525 WeakPolarHBondContact OD1-CA 3.3Å; D523-N525 WeakPolarHBondContact OD1-CB 3.47Å; D523-N525 PolarHBondContact OD1-N 3.06Å; D523-G526 PolarHBondContact O-N 2.87Å; D523-G526 PolarHBondContact OD1-N 3.01Å; D523-L527 PolarHBondContact N-O 2.91Å; D523-L527 PolarHBondContact OD1-N 2.78Å; D523-L527 VanDerWaalsContact OD1-N 3.09Å; D523-R529 IonicContact OD2-CZ 3.82Å; D523-R529 IonicContact OD2-NH1 2.74Å; D523-R529 PolarHBondContact OD2-NH1 3.04Å; D523-R529 IonicContact OD2-NH2 3.26Å; D523-R529 PolarHBondContact OD2-NH2 3.39Å
524	S	94.4	Very high	94.2	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.042	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.6	180	69.4	0	0	0	0	114.5	S506 Y507 C509 R577	S506-S524 VanDerWaalsContact CA-OG 3.24Å; S506-S524 WeakPolarHBondContact CA-OG 3.49Å; S506-S524 VanDerWaalsContact CB-OG 3.23Å; S506-S524 WeakPolarHBondContact CB-OG 3.46Å; Y507-S524 VanDerWaalsContact CE1-CB 3.48Å; Y507-S524 PolarHBondContact N-OG 2.73Å; Y507-S524 WeakPolarHBondContact O-CB 3.41Å; Y507-S524 PolarHBondContact O-N 3.32Å; C509-S524 WeakPolarHBondContact SG-CA 3.31Å; S524-R577 PolarHBondContact O-NH1 3.48Å; S524-R577 PolarHBondContact O-NH2 2.93Å; S524-R577 VanDerWaalsContact O-NH2 3.13Å
525	N	92.6	Very high	93.9	Very high	68 Å²	68	22.9 Å²	22.9	36%	0.364	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.7	171.8	-65.1	-7.2	0	0	0	111.5	S503 P504 D523 R546	S503-N525 WeakPolarHBondContact CB-ND2 3.48Å; P504-N525 PolarHBondContact O-ND2 3.06Å; D523-N525 PolarHBondContact O-N 2.99Å; D523-N525 VanDerWaalsContact O-N 3.15Å; D523-N525 VanDerWaalsContact OD1-C 3.28Å; D523-N525 VanDerWaalsContact OD1-CA 3.28Å; D523-N525 WeakPolarHBondContact OD1-CA 3.3Å; D523-N525 WeakPolarHBondContact OD1-CB 3.47Å; D523-N525 PolarHBondContact OD1-N 3.06Å; N525-R546 WeakPolarHBondContact O-CG 3.35Å
526	G	92.6	Very high	93.5	Very high	10 Å²	10	23.5 Å²	23.5	10%	0.103	15%	0.149	C	C	.	.			trans	83.1	16.2	173.6	0	0	0	0	0	114.7	D523 T545	D523-G526 PolarHBondContact O-N 2.87Å; D523-G526 PolarHBondContact OD1-N 3.01Å; G526-T545 VanDerWaalsContact CA-OG1 3.29Å; G526-T545 WeakPolarHBondContact CA-OG1 3.47Å; G526-T545 PolarHBondContact O-N 3.28Å; G526-T545 PolarHBondContact O-OG1 2.92Å
527	L	96.1	Very high	93.4	Very high	33 Å²	33	24.4 Å²	24.4	17%	0.173	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.2	174.6	-157.8	77.6	0	0	0	110.2	V522 D523 P541 N544	V522-L527 WeakPolarHBondContact CA-O 3.25Å; D523-L527 PolarHBondContact N-O 2.91Å; D523-L527 PolarHBondContact OD1-N 2.78Å; D523-L527 VanDerWaalsContact OD1-N 3.09Å; L527-P541 HydrophobicContact CD2-CB 3.87Å; L527-P541 HydrophobicContact CG-CB 4.21Å; L527-N544 HydrophobicContact CD1-CB 3.82Å
528	V	96.8	Very high	93.5	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.6	175.5	-171.9	0	0	0	0	108.7	Y521 V522 P541 V542 C543 T545 L568	Y521-V528 WeakPolarHBondContact O-CA 3.35Å; V522-V528 HydrophobicContact CG1-CG2 4.21Å; V522-V528 HydrophobicContact CG2-CB 4.39Å; V522-V528 HydrophobicContact CG2-CG1 4.19Å; V522-V528 HydrophobicContact CG2-CG2 3.95Å; V528-P541 CarbonylContact O-C 3.58Å; V528-P541 WeakPolarHBondContact O-CA 3.39Å; V528-V542 HydrophobicContact CB-CG2 4.11Å; V528-V542 HydrophobicContact CG1-CG2 3.76Å; V528-V542 PolarHBondContact O-N 3.37Å; V528-C543 HydrophobicContact CB-CB 4.03Å; V528-C543 HydrophobicContact CG2-CB 3.94Å; V528-C543 PolarHBondContact N-O 3.09Å; V528-T545 HydrophobicContact CG2-CG2 4.3Å; V528-L568 HydrophobicContact CG2-CD2 3.86Å
529	R	97	Very high	93.5	Very high	19 Å²	19	29 Å²	29	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.3	175.8	-67.1	174.2	-174.6	83.7	-12.7	110.4	P501 L502 S503 C520 Y521 D523 T540 P541	P501-R529 WeakPolarHBondContact O-CD 3.39Å; P501-R529 PolarHBondContact O-NE 3.42Å; P501-R529 PolarHBondContact O-NH2 3.03Å; L502-R529 VanDerWaalsContact C-NH2 3.35Å; S503-R529 PolarHBondContact OG-NH2 3.12Å; S503-R529 VanDerWaalsContact OG-NH2 3.09Å; C520-R529 CarbonylContact C-O 3.59Å; C520-R529 VanDerWaalsContact CA-O 3.25Å; C520-R529 WeakPolarHBondContact CA-O 3.3Å; Y521-R529 HydrophobicContact CD1-CB 4.3Å; Y521-R529 HydrophobicContact CE1-CB 3.86Å; Y521-R529 HydrophobicContact CE2-CB 4.27Å; Y521-R529 PolarHBondContact N-O 2.94Å; Y521-R529 PolarHBondContact O-N 2.91Å; Y521-R529 WeakPolarHBondContact OH-CD 3.33Å; D523-R529 IonicContact OD2-CZ 3.82Å; D523-R529 IonicContact OD2-NH1 2.74Å; D523-R529 PolarHBondContact OD2-NH1 3.04Å; D523-R529 IonicContact OD2-NH2 3.26Å; D523-R529 PolarHBondContact OD2-NH2 3.39Å; R529-T540 WeakPolarHBondContact CA-O 3.41Å; R529-P541 HydrophobicContact CG-CB 4.34Å
530	M	96.4	Very high	93.5	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145	-175.6	178.4	173.7	175.3	0	0	109.7	T518 N532 T540 V542 E563 L615 F616	T518-M530 HydrophobicContact CG2-CE 3.76Å; T518-M530 HydrophobicContact CG2-CG 3.77Å; M530-N532 PolarHBondContact O-N 3.34Å; M530-T540 PolarHBondContact N-O 3.05Å; M530-T540 PolarHBondContact O-N 2.81Å; M530-V542 HydrophobicContact CB-CG1 3.67Å; M530-V542 HydrophobicContact CB-CG2 4.01Å; M530-V542 HydrophobicContact CG-CG1 4.47Å; M530-V542 HydrophobicContact SD-CG1 4.04Å; M530-E563 HydrophobicContact CE-CG 3.89Å; M530-E563 WeakPolarHBondContact CE-OE2 3.33Å; M530-L615 HydrophobicContact SD-CD2 4.49Å; M530-L615 HydrophobicContact SD-CG 4.28Å; M530-F616 HydrophobicContact CE-CD1 4.35Å; M530-F616 HydrophobicContact CE-CE1 4.42Å; M530-F616 HydrophobicContact SD-CD1 4.41Å; M530-F616 HydrophobicContact SD-CE1 3.97Å; M530-F616 HydrophobicContact SD-CE2 4.15Å; M530-F616 HydrophobicContact SD-CZ 3.82Å
531	L	95.5	Very high	93.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	115.6	178.4	-173	69.8	0	0	0	110.5	L484 M495 T518 A519 R533 N537 W539	L484-L531 HydrophobicContact CD2-CD2 3.67Å; M495-L531 HydrophobicContact SD-CD1 4.05Å; T518-L531 HydrophobicContact CG2-CB 4.04Å; T518-L531 WeakPolarHBondContact CG2-O 3.37Å; A519-L531 HydrophobicContact CB-CB 4.16Å; A519-L531 HydrophobicContact CB-CD2 4.29Å; A519-L531 WeakPolarHBondContact O-CB 3.3Å; A519-L531 PolarHBondContact O-N 2.97Å; L531-R533 HydrophobicContact CD2-CG 4.49Å; L531-R533 PolarHBondContact O-N 2.87Å; L531-N537 HydrophobicContact CD1-CB 4.1Å; L531-N537 VanDerWaalsContact CD1-O 3.27Å; L531-N537 WeakPolarHBondContact CD1-O 3.32Å; L531-W539 HydrophobicContact CB-CE3 4.09Å; L531-W539 HydrophobicContact CB-CH2 4.2Å; L531-W539 HydrophobicContact CB-CZ3 3.73Å; L531-W539 HydrophobicContact CD1-CD2 4.19Å; L531-W539 HydrophobicContact CD1-CE3 4.21Å; L531-W539 HydrophobicContact CD1-CH2 4.09Å; L531-W539 HydrophobicContact CD1-CZ2 4.02Å; L531-W539 HydrophobicContact CD1-CZ3 4.17Å
532	N	93.7	Very high	93.4	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.107	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	93.2	176.8	-172.6	-14.6	0	0	0	109.7	M530 A534 L535 N537 T538 T540 L615 N618	M530-N532 PolarHBondContact O-N 3.34Å; N532-A534 VanDerWaalsContact C-N 3.35Å; N532-A534 PolarHBondContact O-N 3.03Å; N532-A534 PolarHBondContact OD1-N 2.73Å; N532-L535 HydrophobicContact CB-CB 4.24Å; N532-L535 VanDerWaalsContact CG-CB 3.49Å; N532-L535 WeakPolarHBondContact ND2-CB 3.31Å; N532-L535 CarbonylContact O-C 3.53Å; N532-L535 PolarHBondContact O-N 2.86Å; N532-L535 PolarHBondContact OD1-N 2.95Å; N532-N537 WeakPolarHBondContact O-CA 3.42Å; N532-N537 PolarHBondContact O-N 3.28Å; N532-N537 VanDerWaalsContact O-N 3.1Å; N532-T538 WeakPolarHBondContact CB-O 3.28Å; N532-T538 PolarHBondContact N-O 3.4Å; N532-T538 PolarHBondContact O-N 3.19Å; N532-T540 WeakPolarHBondContact CB-OG1 3.28Å; N532-T540 PolarHBondContact ND2-OG1 2.84Å; N532-L615 HydrophobicContact CB-CD1 3.79Å; N532-N618 PolarHBondContact OD1-ND2 2.88Å
533	R	87.1	Confident	93.3	Very high	35 Å²	35	31.8 Å²	31.8	13%	0.132	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-41.4	-178.6	-60	-178.1	-172.9	-86.9	7.7	112.1	G517 L531 G536	G517-R533 PolarHBondContact O-NH2 3.42Å; L531-R533 HydrophobicContact CD2-CG 4.49Å; L531-R533 PolarHBondContact O-N 2.87Å; R533-G536 PolarHBondContact O-N 2.84Å
534	A	86.1	Confident	93.2	Very high	76 Å²	76	34 Å²	34	63%	0.628	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-37.3	179.1	0	0	0	0	0	112.7	N532 G536 N618	N532-A534 VanDerWaalsContact C-N 3.35Å; N532-A534 PolarHBondContact O-N 3.03Å; N532-A534 PolarHBondContact OD1-N 2.73Å; A534-G536 VanDerWaalsContact C-N 3.26Å; A534-G536 PolarHBondContact O-N 3.31Å; A534-N618 WeakPolarHBondContact CB-OD1 3.44Å
535	L	89.3	Confident	93.2	Very high	111 Å²	111	34 Å²	34	58%	0.581	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	54.1	174.9	-163.9	66.1	0	0	0	111.3	N532 N537 T538	N532-L535 HydrophobicContact CB-CB 4.24Å; N532-L535 VanDerWaalsContact CG-CB 3.49Å; N532-L535 WeakPolarHBondContact ND2-CB 3.31Å; N532-L535 CarbonylContact O-C 3.53Å; N532-L535 PolarHBondContact O-N 2.86Å; N532-L535 PolarHBondContact OD1-N 2.95Å; L535-N537 PolarHBondContact O-N 2.63Å; L535-T538 WeakPolarHBondContact O-CB 3.35Å; L535-T538 VanDerWaalsContact O-CG2 3.24Å; L535-T538 WeakPolarHBondContact O-CG2 3.49Å; L535-T538 PolarHBondContact O-N 3.4Å; L535-T538 VanDerWaalsContact O-N 3.13Å; L535-T538 PolarHBondContact O-OG1 3.39Å
536	G	84.3	Confident	93.1	Very high	64 Å²	64	34 Å²	34	66%	0.66	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	35.6	169.5	0	0	0	0	0	115.6	R533 A534 T538	R533-G536 PolarHBondContact O-N 2.84Å; A534-G536 VanDerWaalsContact C-N 3.26Å; A534-G536 PolarHBondContact O-N 3.31Å; G536-T538 VanDerWaalsContact C-N 3.26Å; G536-T538 PolarHBondContact O-N 3.09Å
537	N	89.8	Confident	92.9	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.251	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	30.9	-175.5	-62.7	-44	0	0	0	114.4	M495 L531 N532 L535	M495-N537 WeakPolarHBondContact CE-O 3.35Å; L531-N537 HydrophobicContact CD1-CB 4.1Å; L531-N537 VanDerWaalsContact CD1-O 3.27Å; L531-N537 WeakPolarHBondContact CD1-O 3.32Å; N532-N537 WeakPolarHBondContact O-CA 3.42Å; N532-N537 PolarHBondContact O-N 3.28Å; N532-N537 VanDerWaalsContact O-N 3.1Å; L535-N537 PolarHBondContact O-N 2.63Å
538	T	93.9	Very high	92.4	Very high	65 Å²	65	40.1 Å²	40.1	40%	0.399	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	162.8	173.3	55.9	0	0	0	0	112.6	N532 L535 G536	N532-T538 WeakPolarHBondContact CB-O 3.28Å; N532-T538 PolarHBondContact N-O 3.4Å; N532-T538 PolarHBondContact O-N 3.19Å; L535-T538 WeakPolarHBondContact O-CB 3.35Å; L535-T538 VanDerWaalsContact O-CG2 3.24Å; L535-T538 WeakPolarHBondContact O-CG2 3.49Å; L535-T538 PolarHBondContact O-N 3.4Å; L535-T538 VanDerWaalsContact O-N 3.13Å; L535-T538 PolarHBondContact O-OG1 3.39Å; G536-T538 VanDerWaalsContact C-N 3.26Å; G536-T538 PolarHBondContact O-N 3.09Å
539	W	95.7	Very high	92.1	Very high	32 Å²	32	40.9 Å²	40.9	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.7	-178.1	-64.8	104.1	0	0	0	111.9	V482 M495 L500 P501 A519 Y521 L531	V482-W539 HydrophobicContact CG1-CZ2 4.21Å; V482-W539 HydrophobicContact CG2-CZ2 4.2Å; M495-W539 HydrophobicContact SD-CZ2 4.13Å; L500-W539 HydrophobicContact CD1-CD2 4.49Å; L500-W539 HydrophobicContact CD1-CZ2 4.01Å; P501-W539 VanDerWaalsContact CD-CD1 3.42Å; P501-W539 HydrophobicContact CG-CB 4.3Å; P501-W539 HydrophobicContact CG-CG 4.44Å; A519-W539 HydrophobicContact CB-CH2 3.95Å; A519-W539 HydrophobicContact CB-CZ3 4.25Å; Y521-W539 HydrophobicContact CD1-CD2 4.44Å; Y521-W539 AromaticContact CD1-CE3 3.93Å; Y521-W539 HydrophobicContact CD1-CE3 3.93Å; Y521-W539 HydrophobicContact CD1-CH2 4.18Å; Y521-W539 AromaticContact CD1-CZ3 3.77Å; Y521-W539 HydrophobicContact CD1-CZ3 3.77Å; Y521-W539 AromaticContact CE1-CD2 3.58Å; Y521-W539 HydrophobicContact CE1-CD2 3.58Å; Y521-W539 AromaticContact CE1-CE3 3.43Å; Y521-W539 HydrophobicContact CE1-CE3 3.43Å; Y521-W539 VanDerWaalsContact CE1-CE3 3.43Å; Y521-W539 HydrophobicContact CE1-CG 4.08Å; Y521-W539 HydrophobicContact CE1-CH2 4.18Å; Y521-W539 HydrophobicContact CE1-CZ2 4.33Å; Y521-W539 AromaticContact CE1-CZ3 3.74Å; Y521-W539 HydrophobicContact CE1-CZ3 3.74Å; L531-W539 HydrophobicContact CB-CE3 4.09Å; L531-W539 HydrophobicContact CB-CH2 4.2Å; L531-W539 HydrophobicContact CB-CZ3 3.73Å; L531-W539 HydrophobicContact CD1-CD2 4.19Å; L531-W539 HydrophobicContact CD1-CE3 4.21Å; L531-W539 HydrophobicContact CD1-CH2 4.09Å; L531-W539 HydrophobicContact CD1-CZ2 4.02Å; L531-W539 HydrophobicContact CD1-CZ3 4.17Å
540	T	96.2	Very high	91.8	Very high	26 Å²	26	49.7 Å²	49.7	16%	0.16	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.2	-179.7	-59.5	0	0	0	0	111.2	R529 M530 N532 L615	R529-T540 WeakPolarHBondContact CA-O 3.41Å; M530-T540 PolarHBondContact N-O 3.05Å; M530-T540 PolarHBondContact O-N 2.81Å; N532-T540 WeakPolarHBondContact CB-OG1 3.28Å; N532-T540 PolarHBondContact ND2-OG1 2.84Å; T540-L615 HydrophobicContact CG2-CD2 3.69Å
541	P	96.4	Very high	91.4	Very high	38 Å²	38	52 Å²	52	25%	0.247	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.2	174.6	29.4	-33.8	0	0	0	111.8	L527 V528 R529 P595	L527-P541 HydrophobicContact CD2-CB 3.87Å; L527-P541 HydrophobicContact CG-CB 4.21Å; V528-P541 CarbonylContact O-C 3.58Å; V528-P541 WeakPolarHBondContact O-CA 3.39Å; R529-P541 HydrophobicContact CG-CB 4.34Å; P541-P595 HydrophobicContact CB-CG 4.08Å; P541-P595 HydrophobicContact CG-CG 3.64Å; P541-P595 VanDerWaalsContact O-CD 3.23Å; P541-P595 WeakPolarHBondContact O-CD 3.33Å
542	V	95.3	Very high	91.1	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-16.7	-171	-65.5	0	0	0	0	115.3	V528 M530 F592 K593 L594 L615 F616	V528-V542 HydrophobicContact CB-CG2 4.11Å; V528-V542 HydrophobicContact CG1-CG2 3.76Å; V528-V542 PolarHBondContact O-N 3.37Å; M530-V542 HydrophobicContact CB-CG1 3.67Å; M530-V542 HydrophobicContact CB-CG2 4.01Å; M530-V542 HydrophobicContact CG-CG1 4.47Å; M530-V542 HydrophobicContact SD-CG1 4.04Å; V542-F592 HydrophobicContact CB-CD1 3.98Å; V542-F592 HydrophobicContact CG2-CD1 3.79Å; V542-F592 HydrophobicContact CG2-CE1 3.9Å; V542-K593 CarbonylContact C-O 3.58Å; V542-K593 CarbonylContact O-C 3.6Å; V542-K593 PolarHBondContact O-N 3.34Å; V542-K593 VanDerWaalsContact O-O 3.09Å; V542-L594 HydrophobicContact CB-CD1 4.44Å; V542-L594 HydrophobicContact CG1-CD1 4.32Å; V542-L615 HydrophobicContact CG1-CD2 3.39Å; V542-F616 HydrophobicContact CB-CE2 4.04Å; V542-F616 HydrophobicContact CB-CZ 4.03Å; V542-F616 HydrophobicContact CG1-CE2 3.89Å; V542-F616 HydrophobicContact CG1-CZ 4.17Å; V542-F616 HydrophobicContact CG2-CZ 4.42Å
543	C	94.2	Very high	91	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	147.3	172.6	-171.7	0	0	0	0	110.1	V528 L568 F592	V528-C543 HydrophobicContact CB-CB 4.03Å; V528-C543 HydrophobicContact CG2-CB 3.94Å; V528-C543 PolarHBondContact N-O 3.09Å; C543-L568 HydrophobicContact CB-CD2 4.3Å; C543-F592 HydrophobicContact CB-CD1 3.95Å; C543-F592 HydrophobicContact CB-CE1 4.49Å
544	N	94.4	Very high	91.3	Very high	50 Å²	50	62.2 Å²	62.2	27%	0.267	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	98.4	168.6	-177.3	3.3	0	0	0	109.2	L527 R546 E547	L527-N544 HydrophobicContact CD1-CB 3.82Å; N544-R546 PolarHBondContact O-N 2.56Å; N544-R546 VanDerWaalsContact O-N 3.09Å; N544-R546 WeakPolarHBondContact OD1-CB 3.45Å; N544-R546 PolarHBondContact OD1-N 2.61Å; N544-E547 HydrophobicContact CB-CG 4.14Å; N544-E547 PolarHBondContact O-N 2.97Å; N544-E547 VanDerWaalsContact O-N 3.12Å
545	T	93.1	Very high	91.7	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.025	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-61.9	-21.7	-177.5	61.9	0	0	0	0	112.6	G526 V528 E547 T548 C549 L568 L590	G526-T545 VanDerWaalsContact CA-OG1 3.29Å; G526-T545 WeakPolarHBondContact CA-OG1 3.47Å; G526-T545 PolarHBondContact O-N 3.28Å; G526-T545 PolarHBondContact O-OG1 2.92Å; V528-T545 HydrophobicContact CG2-CG2 4.3Å; T545-E547 VanDerWaalsContact C-N 3.26Å; T545-E547 PolarHBondContact O-N 2.95Å; T545-T548 PolarHBondContact O-N 2.96Å; T545-T548 PolarHBondContact O-OG1 3.18Å; T545-C549 PolarHBondContact O-N 2.92Å; T545-C549 PolarHBondContact O-SG 3.42Å; T545-L568 HydrophobicContact CG2-CD2 4.06Å; T545-L590 HydrophobicContact CG2-CD1 4.17Å
546	R	90.7	Very high	92	Very high	70 Å²	70	57.4 Å²	57.4	26%	0.264	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-67.7	-21.8	177.6	-64	-59.1	-42.4	-172.4	12.8	114.1	N525 N544 T548 C549 S551 K552 D554	N525-R546 WeakPolarHBondContact O-CG 3.35Å; N544-R546 PolarHBondContact O-N 2.56Å; N544-R546 VanDerWaalsContact O-N 3.09Å; N544-R546 WeakPolarHBondContact OD1-CB 3.45Å; N544-R546 PolarHBondContact OD1-N 2.61Å; R546-T548 PolarHBondContact O-N 3.49Å; R546-C549 PolarHBondContact O-N 2.87Å; R546-S551 PolarHBondContact NH2-O 2.83Å; R546-K552 PolarHBondContact NH1-O 3.18Å; R546-D554 PolarHBondContact NH1-O 3.11Å
547	E	88.3	Confident	92.6	Very high	107 Å²	107	55.6 Å²	55.6	50%	0.5	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-67.4	-23.5	175.7	-66.8	-170.2	-159.5	0	0	112.5	N544 T545 K593	N544-E547 HydrophobicContact CB-CG 4.14Å; N544-E547 PolarHBondContact O-N 2.97Å; N544-E547 VanDerWaalsContact O-N 3.12Å; T545-E547 VanDerWaalsContact C-N 3.26Å; T545-E547 PolarHBondContact O-N 2.95Å; E547-K593 IonicContact OE1-NZ 3.03Å; E547-K593 PolarHBondContact OE1-NZ 3.17Å; E547-K593 IonicContact OE2-NZ 2.81Å; E547-K593 PolarHBondContact OE2-NZ 2.75Å
548	T	86.4	Confident	92.9	Very high	63 Å²	63	53.6 Å²	53.6	39%	0.387	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-13.6	179.1	63.5	0	0	0	0	113.3	T545 R546 Y556 L590	T545-T548 PolarHBondContact O-N 2.96Å; T545-T548 PolarHBondContact O-OG1 3.18Å; R546-T548 PolarHBondContact O-N 3.49Å; T548-Y556 WeakPolarHBondContact OG1-CE2 3.3Å; T548-Y556 PolarHBondContact OG1-OH 2.91Å; T548-L590 HydrophobicContact CG2-CD2 4.26Å
549	C	90	Very high	93	Very high	19 Å²	19	50.8 Å²	50.8	13%	0.128	25%	0.251	C	S	.	.			trans	-68.2	140	171.4	-69	0	0	0	0	112	T545 R546 D554	T545-C549 PolarHBondContact O-N 2.92Å; T545-C549 PolarHBondContact O-SG 3.42Å; R546-C549 PolarHBondContact O-N 2.87Å; C549-D554 HydrophobicContact CB-CB 3.91Å; C549-D554 PolarHBondContact SG-O 3Å
550	K	90.2	Very high	92.9	Very high	203 Å²	203	49.4 Å²	49.4	88%	0.883	25%	0.247	S	C	*	.	S	Bend	trans	-98.7	-34.8	178.9	-63.5	-175.1	180	-176.9	0	112.9	D554	K550-D554 WeakPolarHBondContact CA-OD2 3.35Å; K550-D554 PolarHBondContact N-OD2 3.12Å
551	S	89.3	Confident	92.9	Very high	50 Å²	50	48.2 Å²	48.2	35%	0.35	24%	0.24	S	C	.	.	S	Bend	trans	-106.7	159.2	175.2	-177.5	0	0	0	0	111.7	R546 S553 D554	R546-S551 PolarHBondContact NH2-O 2.83Å; S551-S553 WeakPolarHBondContact CB-OG 3.39Å; S551-S553 PolarHBondContact O-N 2.7Å; S551-S553 PolarHBondContact OG-N 3.04Å; S551-S553 VanDerWaalsContact OG-N 3.15Å; S551-S553 PolarHBondContact OG-OG 3.46Å; S551-D554 PolarHBondContact N-OD2 3.12Å; S551-D554 PolarHBondContact O-N 3.29Å
552	K	88.3	Confident	92.8	Very high	191 Å²	191	47.5 Å²	47.5	83%	0.83	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-36.7	163.5	-71.1	-172.8	177.3	-177.2	0	111.2	R546 D554	R546-K552 PolarHBondContact NH1-O 3.18Å; K552-D554 VanDerWaalsContact C-N 3.31Å; K552-D554 PolarHBondContact O-N 3.3Å
553	S	91.6	Very high	92.8	Very high	54 Å²	54	47.6 Å²	47.6	38%	0.378	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.2	179.8	65	0	0	0	0	115.5	S551 G575	S551-S553 WeakPolarHBondContact CB-OG 3.39Å; S551-S553 PolarHBondContact O-N 2.7Å; S551-S553 PolarHBondContact OG-N 3.04Å; S551-S553 VanDerWaalsContact OG-N 3.15Å; S551-S553 PolarHBondContact OG-OG 3.46Å; S553-G575 WeakPolarHBondContact O-CA 3.45Å; S553-G575 PolarHBondContact O-N 3.39Å
554	D	93.9	Very high	92.6	Very high	28 Å²	28	50.8 Å²	50.8	15%	0.15	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	134.7	175.3	-62.4	-17.8	0	0	0	109.4	R546 C549 K550 S551 K552 C573	R546-D554 PolarHBondContact NH1-O 3.11Å; C549-D554 HydrophobicContact CB-CB 3.91Å; C549-D554 PolarHBondContact SG-O 3Å; K550-D554 WeakPolarHBondContact CA-OD2 3.35Å; K550-D554 PolarHBondContact N-OD2 3.12Å; S551-D554 PolarHBondContact N-OD2 3.12Å; S551-D554 PolarHBondContact O-N 3.29Å; K552-D554 VanDerWaalsContact C-N 3.31Å; K552-D554 PolarHBondContact O-N 3.3Å; D554-C573 WeakPolarHBondContact CA-O 3.3Å
555	H	94.6	Very high	92.6	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.6	177.1	-67.1	-85.9	0	0	0	110.6	C573 S576	H555-C573 PolarHBondContact N-O 2.65Å; H555-C573 PolarHBondContact O-N 2.84Å; H555-C573 VanDerWaalsContact O-O 3.13Å; H555-S576 PolarHBondContact CD2-O 3.27Å
556	Y	95.9	Very high	92.6	Very high	52 Å²	52	54.8 Å²	54.8	20%	0.204	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.2	167.8	-75	-91.3	0	0	0	109.2	T548 C570 I571 P572 L590	T548-Y556 WeakPolarHBondContact OG1-CE2 3.3Å; T548-Y556 PolarHBondContact OG1-OH 2.91Å; Y556-C570 HydrophobicContact CD1-CB 4.3Å; Y556-C570 WeakPolarHBondContact CD1-SG 3.3Å; Y556-I571 WeakPolarHBondContact CA-O 3.31Å; Y556-P572 HydrophobicContact CD1-CB 4.18Å; Y556-P572 HydrophobicContact CE1-CB 3.74Å; Y556-L590 HydrophobicContact CD1-CD1 3.91Å; Y556-L590 HydrophobicContact CD2-CD1 4.22Å; Y556-L590 HydrophobicContact CE1-CD1 3.89Å; Y556-L590 HydrophobicContact CE1-CD2 4.14Å; Y556-L590 HydrophobicContact CE1-CG 4.22Å; Y556-L590 HydrophobicContact CE2-CD1 4.24Å; Y556-L590 HydrophobicContact CG-CD1 4.05Å
557	W	96.5	Very high	92.8	Very high	25 Å²	25	52.6 Å²	52.6	10%	0.095	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.3	176.5	-175.2	86.4	0	0	0	108	G317 S318 T319 F327 W330 V559 C570 I571 P579	G317-W557 WeakPolarHBondContact O-CH2 3.39Å; G317-W557 WeakPolarHBondContact O-CZ2 3.46Å; S318-W557 WeakPolarHBondContact O-CZ2 3.36Å; S318-W557 PolarHBondContact O-NE1 2.9Å; T319-W557 HydrophobicContact CG2-CZ2 3.69Å; F327-W557 HydrophobicContact CB-CH2 4.36Å; F327-W557 HydrophobicContact CD2-CH2 4.3Å; F327-W557 HydrophobicContact CG-CH2 4.43Å; W330-W557 HydrophobicContact CB-CH2 3.7Å; W330-W557 HydrophobicContact CB-CZ3 3.94Å; W330-W557 HydrophobicContact CD2-CZ3 4.08Å; W330-W557 HydrophobicContact CE3-CH2 4.17Å; W330-W557 AromaticContact CE3-CZ3 3.83Å; W330-W557 HydrophobicContact CE3-CZ3 3.83Å; W330-W557 HydrophobicContact CG-CH2 4.4Å; W330-W557 HydrophobicContact CG-CZ3 4.18Å; W557-V559 HydrophobicContact CE3-CG2 3.95Å; W557-V559 HydrophobicContact CZ3-CG2 3.85Å; W557-C570 CarbonylContact O-C 3.41Å; W557-C570 WeakPolarHBondContact O-CA 3.33Å; W557-C570 WeakPolarHBondContact O-CB 3.08Å; W557-I571 HydrophobicContact CE3-CB 4.4Å; W557-I571 HydrophobicContact CE3-CD1 3.67Å; W557-I571 HydrophobicContact CE3-CG1 4.21Å; W557-I571 HydrophobicContact CZ3-CD1 3.68Å; W557-I571 PolarHBondContact N-O 2.9Å; W557-I571 PolarHBondContact O-N 2.96Å; W557-P579 HydrophobicContact CD2-CG 4.3Å; W557-P579 HydrophobicContact CE3-CG 4.18Å; W557-P579 HydrophobicContact CZ3-CG 4.46Å
558	V	96.3	Very high	93.2	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.1	-170.5	175.5	0	0	0	0	110.9	W510 V522 L568 C570	W510-V558 HydrophobicContact CD2-CB 4.38Å; W510-V558 HydrophobicContact CD2-CG1 4.05Å; W510-V558 HydrophobicContact CE3-CG1 4.4Å; W510-V558 HydrophobicContact CG-CB 4.24Å; W510-V558 HydrophobicContact CG-CG1 4.41Å; W510-V558 HydrophobicContact CZ2-CG1 4.28Å; W510-V558 PolarHBondContact NE1-O 2.82Å; V522-V558 HydrophobicContact CG2-CB 4.39Å; V522-V558 HydrophobicContact CG2-CG2 4.03Å; V558-L568 HydrophobicContact CG1-CD1 3.85Å; V558-L568 HydrophobicContact CG2-CD1 4.2Å; V558-C570 HydrophobicContact CG2-CB 4.05Å
559	V	95.6	Very high	93.6	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-39.4	178.1	174.9	0	0	0	0	110.5	W330 W557 R569 I571	W330-V559 HydrophobicContact CD2-CG2 4.4Å; W330-V559 HydrophobicContact CG-CG1 4.13Å; W330-V559 HydrophobicContact CG-CG2 4.3Å; W557-V559 HydrophobicContact CE3-CG2 3.95Å; W557-V559 HydrophobicContact CZ3-CG2 3.85Å; V559-R569 PolarHBondContact N-O 2.78Å; V559-I571 HydrophobicContact CG2-CD1 3.96Å; V559-I571 HydrophobicContact CG2-CG1 3.99Å
560	G	94.8	Very high	93.9	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	166.9	178.9	0	0	0	0	0	113.1	R569	G560-R569 PolarHBondContact N-O 3.18Å; G560-R569 PolarHBondContact O-N 2.91Å
561	A	95.6	Very high	94.2	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146	176.4	0	0	0	0	0	109.9	T514 A515 L568 F592	T514-A561 CarbonylContact C-O 3.53Å; T514-A561 WeakPolarHBondContact CA-O 3.25Å; T514-A561 HydrophobicContact CG2-CB 4Å; A515-A561 PolarHBondContact N-O 2.92Å; A561-L568 HydrophobicContact CB-CD1 4.42Å; A561-F592 HydrophobicContact CB-CZ 4.02Å
562	H	94.9	Very high	94.5	Very high	23 Å²	23	38.3 Å²	38.3	11%	0.106	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.2	172.3	-58.2	-102.6	0	0	0	108.9	A515 E516 Q566 Q567 R569 F592	A515-H562 WeakPolarHBondContact CB-ND1 3.47Å; E516-H562 WeakPolarHBondContact OE2-CA 3.4Å; H562-Q566 WeakPolarHBondContact O-CA 3.24Å; H562-Q567 HydrophobicContact CB-CG 3.75Å; H562-Q567 PolarHBondContact N-O 2.86Å; H562-Q567 PolarHBondContact O-N 3.2Å; H562-R569 WeakPolarHBondContact NE2-CD 3.5Å; H562-R569 VanDerWaalsContact NE2-CZ 3.33Å; H562-R569 PolarHBondContact NE2-NE 3.5Å; H562-F592 WeakPolarHBondContact O-CE2 3.17Å
563	E	93.3	Very high	94.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-39.4	177.3	-57.9	-179.9	-134.1	0	0	111.9	T514 E516 T518 M530 P565 Q566 F616 H619	T514-E563 WeakPolarHBondContact CB-OE1 3.37Å; T514-E563 HydrophobicContact CG2-CG 3.72Å; T514-E563 WeakPolarHBondContact CG2-OE1 3.38Å; T514-E563 PolarHBondContact OG1-OE1 2.89Å; E516-E563 HydrophobicContact CB-CB 4.43Å; E516-E563 HydrophobicContact CB-CG 4.43Å; E516-E563 HydrophobicContact CG-CB 3.99Å; E516-E563 HydrophobicContact CG-CG 4.45Å; E516-E563 PolarHBondContact OE1-N 3.33Å; E516-E563 PolarHBondContact OE2-N 2.9Å; T518-E563 WeakPolarHBondContact CB-OE1 3.22Å; T518-E563 PolarHBondContact OG1-OE1 3.08Å; M530-E563 HydrophobicContact CE-CG 3.89Å; M530-E563 WeakPolarHBondContact CE-OE2 3.33Å; E563-P565 CarbonylContact O-C 3.59Å; E563-Q566 WeakPolarHBondContact O-CA 3.34Å; E563-Q566 WeakPolarHBondContact O-CG 3.47Å; E563-Q566 PolarHBondContact O-N 2.92Å; E563-Q566 VanDerWaalsContact O-N 3.1Å; E563-F616 HydrophobicContact CB-CD1 3.83Å; E563-F616 HydrophobicContact CG-CD1 3.79Å; E563-F616 HydrophobicContact CG-CE1 4.18Å; E563-H619 IonicContact OE2-CE1 2.67Å; E563-H619 IonicContact OE2-CG 2.62Å; E563-H619 IonicContact OE2-ND1 2.72Å; E563-H619 PolarHBondContact OE2-ND1 2.86Å
564	N	91.7	Very high	94.8	Very high	76 Å²	76	35.2 Å²	35.2	41%	0.406	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	103.7	-179.7	-171	11.5	0	0	0	111.9	E516	E516-N564 PolarHBondContact OE1-N 3.09Å
565	P	93.4	Very high	94.6	Very high	87 Å²	87	36.8 Å²	36.8	57%	0.565	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	cis	-74.6	151	-4.2	31.4	-35.8	0	0	0	112.3	E563 Q567	E563-P565 CarbonylContact O-C 3.59Å; P565-Q567 WeakPolarHBondContact O-CG 3.32Å; P565-Q567 PolarHBondContact O-N 3.26Å
566	Q	94.3	Very high	94.4	Very high	51 Å²	51	37 Å²	37	24%	0.238	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	101.1	-177.6	-66.1	178.8	15.9	0	0	112.6	H562 E563 F592 F616	H562-Q566 WeakPolarHBondContact O-CA 3.24Å; E563-Q566 WeakPolarHBondContact O-CA 3.34Å; E563-Q566 WeakPolarHBondContact O-CG 3.47Å; E563-Q566 PolarHBondContact O-N 2.92Å; E563-Q566 VanDerWaalsContact O-N 3.1Å; Q566-F592 HydrophobicContact CB-CD2 4.21Å; Q566-F616 HydrophobicContact CG-CB 4.25Å; Q566-F616 HydrophobicContact CG-CD1 3.99Å; Q566-F616 HydrophobicContact CG-CG 4.16Å
567	Q	94.6	Very high	94.2	Very high	24 Å²	24	39 Å²	39	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	131.1	178.1	58.4	-175.4	-42.2	0	0	113.6	H562 P565 I589	H562-Q567 HydrophobicContact CB-CG 3.75Å; H562-Q567 PolarHBondContact N-O 2.86Å; H562-Q567 PolarHBondContact O-N 3.2Å; P565-Q567 WeakPolarHBondContact O-CG 3.32Å; P565-Q567 PolarHBondContact O-N 3.26Å; Q567-I589 HydrophobicContact CB-CG2 3.73Å
568	L	96.1	Very high	94.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.7	167.4	-179.1	67.6	0	0	0	109.4	V528 C543 T545 V558 A561 L590 F592	V528-L568 HydrophobicContact CG2-CD2 3.86Å; C543-L568 HydrophobicContact CB-CD2 4.3Å; T545-L568 HydrophobicContact CG2-CD2 4.06Å; V558-L568 HydrophobicContact CG1-CD1 3.85Å; V558-L568 HydrophobicContact CG2-CD1 4.2Å; A561-L568 HydrophobicContact CB-CD1 4.42Å; L568-L590 HydrophobicContact CB-CB 4.3Å; L568-L590 HydrophobicContact CD2-CB 4.46Å; L568-L590 PolarHBondContact N-O 2.96Å; L568-L590 PolarHBondContact O-N 3.39Å; L568-F592 HydrophobicContact CB-CE1 3.97Å; L568-F592 HydrophobicContact CB-CE2 4.27Å; L568-F592 HydrophobicContact CB-CZ 3.76Å; L568-F592 HydrophobicContact CD1-CE1 4.25Å; L568-F592 HydrophobicContact CD1-CZ 4.22Å
569	R	95.9	Very high	94.1	Very high	79 Å²	79	41.1 Å²	41.1	30%	0.298	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.7	178.4	-65.9	-173.8	179.6	179.6	10.9	109.9	V559 G560 H562 V587	V559-R569 PolarHBondContact N-O 2.78Å; G560-R569 PolarHBondContact N-O 3.18Å; G560-R569 PolarHBondContact O-N 2.91Å; H562-R569 WeakPolarHBondContact NE2-CD 3.5Å; H562-R569 VanDerWaalsContact NE2-CZ 3.33Å; H562-R569 PolarHBondContact NE2-NE 3.5Å; R569-V587 HydrophobicContact CB-CG1 3.98Å
570	C	95.6	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.9	-173.8	56.9	0	0	0	0	112.3	Y556 W557 V558 A588	Y556-C570 HydrophobicContact CD1-CB 4.3Å; Y556-C570 WeakPolarHBondContact CD1-SG 3.3Å; W557-C570 CarbonylContact O-C 3.41Å; W557-C570 WeakPolarHBondContact O-CA 3.33Å; W557-C570 WeakPolarHBondContact O-CB 3.08Å; V558-C570 HydrophobicContact CG2-CB 4.05Å; C570-A588 PolarHBondContact N-O 3.38Å; C570-A588 WeakPolarHBondContact O-CA 3.06Å; C570-A588 WeakPolarHBondContact O-CB 3.48Å; C570-A588 PolarHBondContact O-N 2.55Å; C570-A588 VanDerWaalsContact O-O 3.07Å
571	I	96.3	Very high	93.8	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	-175.8	-59	174.9	0	0	0	109.1	W330 Y556 W557 V559 C573 P579 P585 V587	W330-I571 HydrophobicContact CD2-CD1 4.17Å; W330-I571 HydrophobicContact CE3-CD1 3.71Å; W330-I571 HydrophobicContact CH2-CD1 3.47Å; W330-I571 VanDerWaalsContact CH2-CD1 3.47Å; W330-I571 HydrophobicContact CZ2-CD1 3.93Å; W330-I571 HydrophobicContact CZ3-CD1 3.33Å; Y556-I571 WeakPolarHBondContact CA-O 3.31Å; W557-I571 HydrophobicContact CE3-CB 4.4Å; W557-I571 HydrophobicContact CE3-CD1 3.67Å; W557-I571 HydrophobicContact CE3-CG1 4.21Å; W557-I571 HydrophobicContact CZ3-CD1 3.68Å; W557-I571 PolarHBondContact N-O 2.9Å; W557-I571 PolarHBondContact O-N 2.96Å; V559-I571 HydrophobicContact CG2-CD1 3.96Å; V559-I571 HydrophobicContact CG2-CG1 3.99Å; I571-C573 PolarHBondContact O-N 2.69Å; I571-C573 PolarHBondContact O-SG 3.32Å; I571-C573 VanDerWaalsContact O-SG 3.38Å; I571-P579 HydrophobicContact CB-CG 4.43Å; I571-P579 HydrophobicContact CD1-CG 4.13Å; I571-P579 HydrophobicContact CG2-CB 3.76Å; I571-P579 HydrophobicContact CG2-CG 4.03Å; I571-P585 HydrophobicContact CD1-CB 4.16Å; I571-P585 HydrophobicContact CG2-CB 3.51Å; I571-P585 HydrophobicContact CG2-CG 4.4Å; I571-V587 HydrophobicContact CG1-CG2 4.38Å
572	P	95.4	Very high	93.6	Very high	59 Å²	59	50.9 Å²	50.9	38%	0.383	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	107.6	-179.6	28.9	-32.5	0	0	0	111	Y556 A588	Y556-P572 HydrophobicContact CD1-CB 4.18Å; Y556-P572 HydrophobicContact CE1-CB 3.74Å; P572-A588 HydrophobicContact CG-CB 4.33Å
573	C	93.9	Very high	93.4	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.3	-180	-56.6	0	0	0	0	110.2	D554 H555 I571 S576 P579	D554-C573 WeakPolarHBondContact CA-O 3.3Å; H555-C573 PolarHBondContact N-O 2.65Å; H555-C573 PolarHBondContact O-N 2.84Å; H555-C573 VanDerWaalsContact O-O 3.13Å; I571-C573 PolarHBondContact O-N 2.69Å; I571-C573 PolarHBondContact O-SG 3.32Å; I571-C573 VanDerWaalsContact O-SG 3.38Å; C573-S576 WeakPolarHBondContact CB-O 3.49Å; C573-P579 VanDerWaalsContact SG-N 3.4Å
574	K	92.1	Very high	93.3	Very high	176 Å²	176	61.2 Å²	61.2	77%	0.765	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.3	179.4	-65.4	178.8	-176.8	171.3	0	109.5	S576	K574-S576 VanDerWaalsContact C-N 3.29Å
575	G	89.1	Confident	93.5	Very high	62 Å²	62	58.6 Å²	58.6	64%	0.639	31%	0.313	S	S	*	.	S	Bend	trans	88.9	-13.2	-176.1	0	0	0	0	0	114.3	S553	S553-G575 WeakPolarHBondContact O-CA 3.45Å; S553-G575 PolarHBondContact O-N 3.39Å
576	S	91.4	Very high	93.5	Very high	38 Å²	38	58.3 Å²	58.3	27%	0.266	32%	0.318	S	S	.	.	S	Bend	trans	-137.6	164.1	-176.3	62.1	0	0	0	0	111.8	H555 C573 K574 Y578	H555-S576 PolarHBondContact CD2-O 3.27Å; C573-S576 WeakPolarHBondContact CB-O 3.49Å; K574-S576 VanDerWaalsContact C-N 3.29Å; S576-Y578 WeakPolarHBondContact CB-O 3.36Å; S576-Y578 PolarHBondContact OG-O 2.82Å
577	R	92.4	Very high	93.6	Very high	94 Å²	94	59 Å²	59	36%	0.355	33%	0.325	S	S	.	.	S	Bend	trans	-88.6	-12.4	172.9	-73.1	177.9	172.6	-87.5	0.3	113.9	Y507 S524	Y507-R577 VanDerWaalsContact OH-CD 3.32Å; Y507-R577 WeakPolarHBondContact OH-CD 3.43Å; Y507-R577 PolarHBondContact OH-NE 2.75Å; S524-R577 PolarHBondContact O-NH1 3.48Å; S524-R577 PolarHBondContact O-NH2 2.93Å; S524-R577 VanDerWaalsContact O-NH2 3.13Å
578	Y	94.3	Very high	93.6	Very high	73 Å²	73	59.2 Å²	59.2	29%	0.286	33%	0.331	S	S	.	.	S	Bend	trans	-136.6	150.9	-178.8	51.6	-94.3	0	0	0	110	T319 P320 L323 S576	T319-Y578 HydrophobicContact CG2-CD2 4.39Å; T319-Y578 HydrophobicContact CG2-CG 4.35Å; P320-Y578 HydrophobicContact CG-CD1 4.06Å; P320-Y578 HydrophobicContact CG-CE1 3.66Å; P320-Y578 HydrophobicContact CG-CE2 4.41Å; L323-Y578 HydrophobicContact CD1-CD2 4.34Å; L323-Y578 HydrophobicContact CD1-CE2 3.88Å; S576-Y578 WeakPolarHBondContact CB-O 3.36Å; S576-Y578 PolarHBondContact OG-O 2.82Å
579	P	95	Very high	93.6	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.019	36%	0.357	C	S	.	.			trans	-79.5	156.3	-178.8	32.9	-35.5	0	0	0	112	F327 W557 I571 C573 P585	F327-P579 HydrophobicContact CE2-CG 4.19Å; W557-P579 HydrophobicContact CD2-CG 4.3Å; W557-P579 HydrophobicContact CE3-CG 4.18Å; W557-P579 HydrophobicContact CZ3-CG 4.46Å; I571-P579 HydrophobicContact CB-CG 4.43Å; I571-P579 HydrophobicContact CD1-CG 4.13Å; I571-P579 HydrophobicContact CG2-CB 3.76Å; I571-P579 HydrophobicContact CG2-CG 4.03Å; C573-P579 VanDerWaalsContact SG-N 3.4Å; P579-P585 HydrophobicContact CB-CB 4.2Å; P579-P585 HydrophobicContact CB-CG 3.72Å; P579-P585 HydrophobicContact CG-CG 4.23Å
580	P	93.5	Very high	93.5	Very high	86 Å²	86	61.2 Å²	61.2	56%	0.558	35%	0.346	S	S	*	.			trans	-68	149	164	31.8	-34.8	0	0	0	110.4	P585	P580-P585 VanDerWaalsContact O-CG 3.29Å; P580-P585 WeakPolarHBondContact O-CG 3.37Å
581	T	92	Very high	93.4	Very high	8 Å²	8	65.7 Å²	65.7	5%	0.049	38%	0.375	C	S	.	.	S	Bend	trans	-76.1	-25.1	-174.1	-35.4	0	0	0	0	112.9	H325 F327	H325-T581 WeakPolarHBondContact O-CB 3.29Å; H325-T581 PolarHBondContact O-OG1 3.34Å; F327-T581 HydrophobicContact CD1-CG2 4.13Å; F327-T581 HydrophobicContact CD2-CG2 4.22Å; F327-T581 HydrophobicContact CE1-CG2 3.79Å; F327-T581 HydrophobicContact CE2-CG2 3.89Å; F327-T581 HydrophobicContact CG-CG2 4.33Å; F327-T581 HydrophobicContact CZ-CG2 3.66Å
582	L	89.4	Confident	93.4	Very high	121 Å²	121	66 Å²	66	63%	0.634	38%	0.377	S	S	*	.	S	Bend	trans	-133.5	142.4	175	-66.4	173	0	0	0	110.4	H325	H325-L582 WeakPolarHBondContact ND1-CD1 3.47Å
583	P	92	Very high	93.3	Very high	113 Å²	113	66.1 Å²	66.1	73%	0.734	37%	0.371	S	S	*	.	S	Bend	cis	-64	160.9	-12.5	31.1	-36.7	0	0	0	111.4	P585	P583-P585 VanDerWaalsContact O-CD 3.24Å; P583-P585 WeakPolarHBondContact O-CD 3.25Å; P583-P585 VanDerWaalsContact O-N 3.08Å
584	R	91.6	Very high	93.4	Very high	128 Å²	128	66.4 Å²	66.4	48%	0.483	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-51.6	117.1	-179	-175.5	179	-175.4	176.8	3.1	110.1	E350	E350-R584 IonicContact OE1-CZ 2.68Å; E350-R584 IonicContact OE1-NE 2.76Å; E350-R584 IonicContact OE1-NH1 3.74Å; E350-R584 PolarHBondContact OE1-NH1 2.76Å; E350-R584 IonicContact OE1-NH2 2.66Å; E350-R584 PolarHBondContact OE1-NH2 3.42Å; E350-R584 VanDerWaalsContact OE1-NH2 3.15Å; E350-R584 IonicContact OE2-CZ 2.73Å
585	P	94.4	Very high	93.5	Very high	21 Å²	21	61.6 Å²	61.6	14%	0.136	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-65.7	144.2	-177.9	-21.3	31.6	0	0	0	112.3	F327 W330 I571 P579 P580 P583	F327-P585 HydrophobicContact CZ-CG 4.5Å; W330-P585 HydrophobicContact CH2-CB 4.44Å; W330-P585 HydrophobicContact CZ3-CG 4.22Å; I571-P585 HydrophobicContact CD1-CB 4.16Å; I571-P585 HydrophobicContact CG2-CB 3.51Å; I571-P585 HydrophobicContact CG2-CG 4.4Å; P579-P585 HydrophobicContact CB-CB 4.2Å; P579-P585 HydrophobicContact CB-CG 3.72Å; P579-P585 HydrophobicContact CG-CG 4.23Å; P580-P585 VanDerWaalsContact O-CG 3.29Å; P580-P585 WeakPolarHBondContact O-CG 3.37Å; P583-P585 VanDerWaalsContact O-CD 3.24Å; P583-P585 WeakPolarHBondContact O-CD 3.25Å; P583-P585 VanDerWaalsContact O-N 3.08Å
586	A	94.3	Very high	93.7	Very high	81 Å²	81	61.7 Å²	61.7	67%	0.669	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-76.9	128.3	171.9	0	0	0	0	0	110.6
587	V	95.5	Very high	93.8	Very high	66 Å²	66	65 Å²	65	40%	0.4	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-75.1	125	172.5	-177.7	0	0	0	0	108.9	W330 R569 I571	W330-V587 HydrophobicContact CH2-CG2 4.47Å; W330-V587 HydrophobicContact CZ2-CG2 3.72Å; R569-V587 HydrophobicContact CB-CG1 3.98Å; I571-V587 HydrophobicContact CG1-CG2 4.38Å
588	A	95.4	Very high	93.8	Very high	28 Å²	28	67 Å²	67	23%	0.231	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	151.6	168.6	0	0	0	0	0	110.5	C570 P572	C570-A588 PolarHBondContact N-O 3.38Å; C570-A588 WeakPolarHBondContact O-CA 3.06Å; C570-A588 WeakPolarHBondContact O-CB 3.48Å; C570-A588 PolarHBondContact O-N 2.55Å; C570-A588 VanDerWaalsContact O-O 3.07Å; P572-A588 HydrophobicContact CG-CB 4.33Å
589	I	95.8	Very high	93.7	Very high	106 Å²	106	65.4 Å²	65.4	54%	0.544	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.3	170.5	-70.5	162.9	0	0	0	107.3	Q567	Q567-I589 HydrophobicContact CB-CG2 3.73Å
590	L	94.3	Very high	93.5	Very high	15 Å²	15	70.4 Å²	70.4	8%	0.079	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.2	169.2	-63.3	-177.7	0	0	0	109.7	T545 T548 Y556 L568	T545-L590 HydrophobicContact CG2-CD1 4.17Å; T548-L590 HydrophobicContact CG2-CD2 4.26Å; Y556-L590 HydrophobicContact CD1-CD1 3.91Å; Y556-L590 HydrophobicContact CD2-CD1 4.22Å; Y556-L590 HydrophobicContact CE1-CD1 3.89Å; Y556-L590 HydrophobicContact CE1-CD2 4.14Å; Y556-L590 HydrophobicContact CE1-CG 4.22Å; Y556-L590 HydrophobicContact CE2-CD1 4.24Å; Y556-L590 HydrophobicContact CG-CD1 4.05Å; L568-L590 HydrophobicContact CB-CB 4.3Å; L568-L590 HydrophobicContact CD2-CB 4.46Å; L568-L590 PolarHBondContact N-O 2.96Å; L568-L590 PolarHBondContact O-N 3.39Å
591	P	94.3	Very high	93.6	Very high	94 Å²	94	68.7 Å²	68.7	61%	0.61	40%	0.401	S	S	*	.			trans	-71.8	149.8	169.5	31.7	-34.2	0	0	0	110.4
592	F	95.1	Very high	93.7	Very high	9 Å²	9	74.6 Å²	74.6	4%	0.039	43%	0.428	C	S	.	.			trans	-73.4	148.9	165.2	-67.1	-76.4	0	0	0	110.4	V542 C543 A561 H562 Q566 L568 R612 F616	V542-F592 HydrophobicContact CB-CD1 3.98Å; V542-F592 HydrophobicContact CG2-CD1 3.79Å; V542-F592 HydrophobicContact CG2-CE1 3.9Å; C543-F592 HydrophobicContact CB-CD1 3.95Å; C543-F592 HydrophobicContact CB-CE1 4.49Å; A561-F592 HydrophobicContact CB-CZ 4.02Å; H562-F592 WeakPolarHBondContact O-CE2 3.17Å; Q566-F592 HydrophobicContact CB-CD2 4.21Å; L568-F592 HydrophobicContact CB-CE1 3.97Å; L568-F592 HydrophobicContact CB-CE2 4.27Å; L568-F592 HydrophobicContact CB-CZ 3.76Å; L568-F592 HydrophobicContact CD1-CE1 4.25Å; L568-F592 HydrophobicContact CD1-CZ 4.22Å; F592-R612 PolarHBondContact O-NE 2.77Å; F592-F616 HydrophobicContact CB-CE2 4Å; F592-F616 HydrophobicContact CB-CZ 3.74Å; F592-F616 HydrophobicContact CD1-CE1 4.29Å; F592-F616 HydrophobicContact CD1-CE2 4.45Å; F592-F616 AromaticContact CD1-CZ 3.57Å; F592-F616 HydrophobicContact CD1-CZ 3.57Å; F592-F616 AromaticContact CD2-CE1 3.53Å; F592-F616 HydrophobicContact CD2-CE1 3.53Å; F592-F616 HydrophobicContact CD2-CE2 4.49Å; F592-F616 AromaticContact CD2-CZ 3.52Å; F592-F616 HydrophobicContact CD2-CZ 3.52Å; F592-F616 HydrophobicContact CE1-CE1 4.41Å; F592-F616 AromaticContact CE1-CZ 4Å; F592-F616 HydrophobicContact CE1-CZ 4Å; F592-F616 AromaticContact CE2-CE1 3.66Å; F592-F616 HydrophobicContact CE2-CE1 3.66Å; F592-F616 AromaticContact CE2-CZ 3.94Å; F592-F616 HydrophobicContact CE2-CZ 3.94Å; F592-F616 AromaticContact CG-CE1 3.87Å; F592-F616 HydrophobicContact CG-CE1 3.87Å; F592-F616 HydrophobicContact CG-CE2 4.08Å; F592-F616 AromaticContact CG-CZ 3.31Å; F592-F616 HydrophobicContact CG-CZ 3.31Å; F592-F616 HydrophobicContact CZ-CE1 4.11Å; F592-F616 HydrophobicContact CZ-CZ 4.17Å
593	K	94.5	Very high	94	Very high	63 Å²	63	71.8 Å²	71.8	27%	0.274	41%	0.411	S	S	.	.			trans	-155.8	114.9	-179.9	-178.3	-158.8	167.8	-151.7	0	108.7	V542 E547 E608	V542-K593 CarbonylContact C-O 3.58Å; V542-K593 CarbonylContact O-C 3.6Å; V542-K593 PolarHBondContact O-N 3.34Å; V542-K593 VanDerWaalsContact O-O 3.09Å; E547-K593 IonicContact OE1-NZ 3.03Å; E547-K593 PolarHBondContact OE1-NZ 3.17Å; E547-K593 IonicContact OE2-NZ 2.81Å; E547-K593 PolarHBondContact OE2-NZ 2.75Å; K593-E608 VanDerWaalsContact CA-OE1 3.3Å; K593-E608 WeakPolarHBondContact CA-OE1 3.4Å
594	L	94.8	Very high	94.1	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.047	38%	0.376	C	S	.	.			trans	-73	142	176	-84.4	57.9	0	0	0	110.2	V542 L596 E608 W611 R612 L615	V542-L594 HydrophobicContact CB-CD1 4.44Å; V542-L594 HydrophobicContact CG1-CD1 4.32Å; L594-L596 HydrophobicContact CB-CG 4.32Å; L594-L596 PolarHBondContact O-N 3.07Å; L594-E608 HydrophobicContact CB-CG 4.29Å; L594-E608 PolarHBondContact N-OE1 3.29Å; L594-W611 HydrophobicContact CD2-CB 4.03Å; L594-R612 HydrophobicContact CD1-CB 3.87Å; L594-R612 HydrophobicContact CD1-CG 3.96Å; L594-R612 HydrophobicContact CD2-CB 4.5Å; L594-L615 HydrophobicContact CD2-CD2 4.48Å
595	P	93.8	Very high	94.3	Very high	76 Å²	76	64.4 Å²	64.4	49%	0.494	37%	0.372	S	S	.	.			trans	-80.4	52.3	-176.9	34.4	-36.8	0	0	0	112.5	P541	P541-P595 HydrophobicContact CB-CG 4.08Å; P541-P595 HydrophobicContact CG-CG 3.64Å; P541-P595 VanDerWaalsContact O-CD 3.23Å; P541-P595 WeakPolarHBondContact O-CD 3.33Å
596	L	94.3	Very high	94.4	Very high	63 Å²	63	64.5 Å²	64.5	33%	0.33	37%	0.371	S	S	.	.			trans	-72.6	160.9	175.9	-61.2	-167.2	0	0	0	112.3	L594 T599 E607 E608	L594-L596 HydrophobicContact CB-CG 4.32Å; L594-L596 PolarHBondContact O-N 3.07Å; L596-T599 HydrophobicContact CB-CG2 4.27Å; L596-T599 WeakPolarHBondContact O-CG2 3.44Å; L596-E607 HydrophobicContact CD1-CB 4.15Å; L596-E608 HydrophobicContact CD1-CB 4.18Å
597	C	93.6	Very high	94.5	Very high	109 Å²	109	62.6 Å²	62.6	74%	0.736	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	143.5	176.1	-55.8	0	0	0	0	111.9	T599	C597-T599 PolarHBondContact O-N 3.2Å
598	Q	92.3	Very high	94.6	Very high	135 Å²	135	60.2 Å²	60.2	63%	0.631	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	36.2	168.3	-55.5	-177.2	-6.5	0	0	115.8	S600 T601	Q598-S600 PolarHBondContact O-N 2.97Å; Q598-T601 HydrophobicContact CB-CG2 4.2Å; Q598-T601 PolarHBondContact O-N 3.46Å; Q598-T601 PolarHBondContact O-OG1 2.86Å
599	T	91	Very high	94.6	Very high	40 Å²	40	62.5 Å²	62.5	25%	0.245	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	6	174.5	70.4	0	0	0	0	115	L596 C597 Q605 E608	L596-T599 HydrophobicContact CB-CG2 4.27Å; L596-T599 WeakPolarHBondContact O-CG2 3.44Å; C597-T599 PolarHBondContact O-N 3.2Å; T599-Q605 WeakPolarHBondContact O-CG 3.25Å; T599-Q605 PolarHBondContact O-NE2 2.97Å; T599-E608 HydrophobicContact CG2-CB 4.37Å; T599-E608 HydrophobicContact CG2-CG 4.41Å
600	S	92.4	Very high	94.6	Very high	107 Å²	107	58.3 Å²	58.3	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.6	166.1	52.3	0	0	0	0	113.3	Q598	Q598-S600 PolarHBondContact O-N 2.97Å
601	T	95.6	Very high	94.6	Very high	51 Å²	51	63.3 Å²	63.3	31%	0.313	33%	0.334	S	S	.	.	S	Bend	trans	-101.1	150.9	179.3	67.8	0	0	0	0	111.1	Q598 K603 G604 Q605	Q598-T601 HydrophobicContact CB-CG2 4.2Å; Q598-T601 PolarHBondContact O-N 3.46Å; Q598-T601 PolarHBondContact O-OG1 2.86Å; T601-K603 PolarHBondContact O-N 2.94Å; T601-G604 PolarHBondContact O-N 3.44Å; T601-G604 VanDerWaalsContact O-N 3.15Å; T601-G604 PolarHBondContact OG1-N 3.2Å; T601-G604 VanDerWaalsContact OG1-N 3.1Å; T601-Q605 WeakPolarHBondContact O-CB 3.42Å; T601-Q605 WeakPolarHBondContact O-CG 3.25Å; T601-Q605 PolarHBondContact O-N 3.31Å
602	E	94.4	Very high	94.7	Very high	131 Å²	131	60.8 Å²	60.8	61%	0.612	31%	0.312	S	S	*	.	H	α-helix	trans	-53.5	-40.6	175.8	-63.1	-178.5	177.9	0	0	112.1	M606 L652	E602-M606 HydrophobicContact CB-CE 4.35Å; E602-M606 VanDerWaalsContact O-CE 3.32Å; E602-M606 WeakPolarHBondContact O-CE 3.43Å; E602-M606 WeakPolarHBondContact O-CG 3.26Å; E602-M606 PolarHBondContact O-N 3.12Å; E602-M606 VanDerWaalsContact O-N 3.09Å; E602-L652 HydrophobicContact CB-CD2 3.96Å
603	K	94.9	Very high	94.7	Very high	63 Å²	63	60.4 Å²	60.4	27%	0.274	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-61.1	173.5	175	-174.2	177.7	-66.6	0	111	T601 Q605 M606 E607 L652	T601-K603 PolarHBondContact O-N 2.94Å; K603-Q605 PolarHBondContact O-N 3.19Å; K603-M606 PolarHBondContact O-N 2.8Å; K603-E607 WeakPolarHBondContact CE-OE1 3.25Å; K603-E607 HydrophobicContact CG-CG 4.42Å; K603-E607 VanDerWaalsContact CG-OE1 3.29Å; K603-E607 WeakPolarHBondContact CG-OE1 3.25Å; K603-E607 IonicContact NZ-OE1 3.5Å; K603-E607 PolarHBondContact NZ-OE1 2.91Å; K603-E607 IonicContact NZ-OE2 3.4Å; K603-E607 PolarHBondContact NZ-OE2 3.03Å; K603-E607 WeakPolarHBondContact O-CB 3.49Å; K603-E607 WeakPolarHBondContact O-CG 3.47Å; K603-E607 PolarHBondContact O-N 3.35Å; K603-L652 HydrophobicContact CB-CD2 4.26Å
604	G	94.8	Very high	94.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-23.5	-175.6	0	0	0	0	0	113.7	T601 E608	T601-G604 PolarHBondContact O-N 3.44Å; T601-G604 VanDerWaalsContact O-N 3.15Å; T601-G604 PolarHBondContact OG1-N 3.2Å; T601-G604 VanDerWaalsContact OG1-N 3.1Å; G604-E608 VanDerWaalsContact O-CB 3.27Å; G604-E608 WeakPolarHBondContact O-CB 3.33Å; G604-E608 PolarHBondContact O-N 3.27Å; G604-E608 VanDerWaalsContact O-N 3.12Å
605	Q	95.6	Very high	94.5	Very high	85 Å²	85	58.9 Å²	58.9	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-74.1	-45.7	173.3	-72.5	173.5	2	0	0	112.2	T599 T601 K603 E608 Q609	T599-Q605 WeakPolarHBondContact O-CG 3.25Å; T599-Q605 PolarHBondContact O-NE2 2.97Å; T601-Q605 WeakPolarHBondContact O-CB 3.42Å; T601-Q605 WeakPolarHBondContact O-CG 3.25Å; T601-Q605 PolarHBondContact O-N 3.31Å; K603-Q605 PolarHBondContact O-N 3.19Å; Q605-E608 PolarHBondContact O-N 3.3Å; Q605-Q609 WeakPolarHBondContact O-CB 3.22Å; Q605-Q609 WeakPolarHBondContact O-CG 3.32Å; Q605-Q609 PolarHBondContact O-N 2.83Å
606	M	96.3	Very high	94.5	Very high	24 Å²	24	55.2 Å²	55.2	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-70.3	-33.9	177.2	-67.3	-176.9	-73	0	0	112.2	E602 K603 Q609 Y610 L645 K648 M649 L652	E602-M606 HydrophobicContact CB-CE 4.35Å; E602-M606 VanDerWaalsContact O-CE 3.32Å; E602-M606 WeakPolarHBondContact O-CE 3.43Å; E602-M606 WeakPolarHBondContact O-CG 3.26Å; E602-M606 PolarHBondContact O-N 3.12Å; E602-M606 VanDerWaalsContact O-N 3.09Å; K603-M606 PolarHBondContact O-N 2.8Å; M606-Q609 PolarHBondContact O-N 3.22Å; M606-Y610 VanDerWaalsContact O-CB 3.27Å; M606-Y610 WeakPolarHBondContact O-CB 3.36Å; M606-Y610 PolarHBondContact O-N 3.17Å; M606-L645 HydrophobicContact CB-CD2 4.43Å; M606-L645 HydrophobicContact CG-CD2 4.35Å; M606-K648 HydrophobicContact SD-CB 3.48Å; M606-K648 WeakPolarHBondContact SD-CB 3.45Å; M606-K648 HydrophobicContact SD-CD 4.43Å; M606-M649 HydrophobicContact CB-CG 3.42Å; M606-M649 VanDerWaalsContact CB-CG 3.42Å; M606-M649 HydrophobicContact CB-SD 3.69Å; M606-M649 HydrophobicContact CE-CG 3.95Å; M606-M649 HydrophobicContact CG-CG 4.29Å; M606-M649 HydrophobicContact SD-CG 3.98Å; M606-L652 HydrophobicContact CE-CB 4.19Å; M606-L652 HydrophobicContact CE-CD2 3.47Å; M606-L652 VanDerWaalsContact CE-CD2 3.47Å; M606-L652 HydrophobicContact CE-CG 4.46Å
607	E	96.4	Very high	94.4	Very high	41 Å²	41	53.5 Å²	53.5	19%	0.192	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-39.8	173.5	-71.8	170	168.1	0	0	111.8	L596 K603 W611 M649	L596-E607 HydrophobicContact CD1-CB 4.15Å; K603-E607 WeakPolarHBondContact CE-OE1 3.25Å; K603-E607 HydrophobicContact CG-CG 4.42Å; K603-E607 VanDerWaalsContact CG-OE1 3.29Å; K603-E607 WeakPolarHBondContact CG-OE1 3.25Å; K603-E607 IonicContact NZ-OE1 3.5Å; K603-E607 PolarHBondContact NZ-OE1 2.91Å; K603-E607 IonicContact NZ-OE2 3.4Å; K603-E607 PolarHBondContact NZ-OE2 3.03Å; K603-E607 WeakPolarHBondContact O-CB 3.49Å; K603-E607 WeakPolarHBondContact O-CG 3.47Å; K603-E607 PolarHBondContact O-N 3.35Å; E607-W611 PolarHBondContact O-N 2.69Å; E607-M649 HydrophobicContact CB-SD 4.38Å; E607-M649 HydrophobicContact CG-SD 3.58Å; E607-M649 VanDerWaalsContact CG-SD 3.58Å
608	E	96.1	Very high	94.2	Very high	15 Å²	15	49.5 Å²	49.5	7%	0.07	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-46.4	174.1	-168.8	-71.9	144.1	0	0	110.9	K593 L594 L596 T599 G604 Q605 Y610 R612	K593-E608 VanDerWaalsContact CA-OE1 3.3Å; K593-E608 WeakPolarHBondContact CA-OE1 3.4Å; L594-E608 HydrophobicContact CB-CG 4.29Å; L594-E608 PolarHBondContact N-OE1 3.29Å; L596-E608 HydrophobicContact CD1-CB 4.18Å; T599-E608 HydrophobicContact CG2-CB 4.37Å; T599-E608 HydrophobicContact CG2-CG 4.41Å; G604-E608 VanDerWaalsContact O-CB 3.27Å; G604-E608 WeakPolarHBondContact O-CB 3.33Å; G604-E608 PolarHBondContact O-N 3.27Å; G604-E608 VanDerWaalsContact O-N 3.12Å; Q605-E608 PolarHBondContact O-N 3.3Å; E608-Y610 PolarHBondContact O-N 3Å; E608-R612 WeakPolarHBondContact O-CB 3.5Å; E608-R612 PolarHBondContact O-N 3.4Å; E608-R612 WeakPolarHBondContact OE1-CD 3.44Å; E608-R612 IonicContact OE1-CZ 2.74Å; E608-R612 IonicContact OE1-NE 2.76Å; E608-R612 PolarHBondContact OE1-NE 2.84Å; E608-R612 IonicContact OE1-NH2 2.67Å; E608-R612 IonicContact OE2-CZ 3.54Å; E608-R612 IonicContact OE2-NE 2.76Å; E608-R612 PolarHBondContact OE2-NE 2.78Å; E608-R612 IonicContact OE2-NH2 3.08Å; E608-R612 PolarHBondContact OE2-NH2 2.89Å
609	Q	95.6	Very high	94	Very high	77 Å²	77	43.2 Å²	43.2	36%	0.36	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-42.6	177.3	-72.8	164.7	0.7	0	0	112.1	Q605 M606 S613 L645	Q605-Q609 WeakPolarHBondContact O-CB 3.22Å; Q605-Q609 WeakPolarHBondContact O-CG 3.32Å; Q605-Q609 PolarHBondContact O-N 2.83Å; M606-Q609 PolarHBondContact O-N 3.22Å; Q609-S613 WeakPolarHBondContact O-CB 3.14Å; Q609-S613 PolarHBondContact O-N 3.41Å; Q609-L645 HydrophobicContact CB-CD1 3.79Å; Q609-L645 HydrophobicContact CB-CD2 4.06Å
610	Y	96.2	Very high	93.9	Very high	17 Å²	17	41.8 Å²	41.8	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-56.5	178.1	175.4	-98	0	0	0	111.6	M606 E608 R612 S613 V614 Q642 L646 M649 L668	M606-Y610 VanDerWaalsContact O-CB 3.27Å; M606-Y610 WeakPolarHBondContact O-CB 3.36Å; M606-Y610 PolarHBondContact O-N 3.17Å; E608-Y610 PolarHBondContact O-N 3Å; Y610-R612 VanDerWaalsContact C-N 3.29Å; Y610-R612 PolarHBondContact O-N 3.05Å; Y610-S613 PolarHBondContact O-N 3.26Å; Y610-S613 VanDerWaalsContact O-N 3.08Å; Y610-V614 HydrophobicContact CD1-CG2 4.42Å; Y610-V614 HydrophobicContact CE1-CG2 3.97Å; Y610-V614 HydrophobicContact CE2-CG2 4.08Å; Y610-V614 WeakPolarHBondContact O-CG2 3.14Å; Y610-V614 PolarHBondContact O-N 3.37Å; Y610-Q642 HydrophobicContact CD2-CB 4.21Å; Y610-Q642 HydrophobicContact CE2-CB 4.06Å; Y610-L646 HydrophobicContact CD2-CD1 4.43Å; Y610-L646 HydrophobicContact CD2-CD2 4.11Å; Y610-L646 HydrophobicContact CD2-CG 3.87Å; Y610-L646 HydrophobicContact CE2-CD1 3.64Å; Y610-L646 HydrophobicContact CE2-CD2 3.77Å; Y610-L646 HydrophobicContact CE2-CG 3.53Å; Y610-M649 HydrophobicContact CD2-CE 4.4Å; Y610-M649 HydrophobicContact CG-CE 4.01Å; Y610-L668 HydrophobicContact CE1-CD1 4.11Å
611	W	95.4	Very high	93.5	Very high	120 Å²	120	40.2 Å²	40.2	46%	0.455	20%	0.195	S	C	.	.	H	α-helix	trans	-66.7	-30	-177.9	-73.9	115.8	0	0	0	113.1	L594 E607 V614 L615	L594-W611 HydrophobicContact CD2-CB 4.03Å; E607-W611 PolarHBondContact O-N 2.69Å; W611-V614 HydrophobicContact CE3-CB 4.47Å; W611-L615 WeakPolarHBondContact O-CB 3.26Å; W611-L615 PolarHBondContact O-N 2.88Å
612	R	95.2	Very high	93.1	Very high	42 Å²	42	38.6 Å²	38.6	16%	0.158	18%	0.183	C	C	.	.	H	α-helix	trans	-66.1	-47.1	169.2	-175.1	163.2	37.4	71.7	7.5	111	F592 L594 E608 Y610 V614 L615 F616	F592-R612 PolarHBondContact O-NE 2.77Å; L594-R612 HydrophobicContact CD1-CB 3.87Å; L594-R612 HydrophobicContact CD1-CG 3.96Å; L594-R612 HydrophobicContact CD2-CB 4.5Å; E608-R612 WeakPolarHBondContact O-CB 3.5Å; E608-R612 PolarHBondContact O-N 3.4Å; E608-R612 WeakPolarHBondContact OE1-CD 3.44Å; E608-R612 IonicContact OE1-CZ 2.74Å; E608-R612 IonicContact OE1-NE 2.76Å; E608-R612 PolarHBondContact OE1-NE 2.84Å; E608-R612 IonicContact OE1-NH2 2.67Å; E608-R612 IonicContact OE2-CZ 3.54Å; E608-R612 IonicContact OE2-NE 2.76Å; E608-R612 PolarHBondContact OE2-NE 2.78Å; E608-R612 IonicContact OE2-NH2 3.08Å; E608-R612 PolarHBondContact OE2-NH2 2.89Å; Y610-R612 VanDerWaalsContact C-N 3.29Å; Y610-R612 PolarHBondContact O-N 3.05Å; R612-V614 PolarHBondContact O-N 2.98Å; R612-L615 PolarHBondContact O-N 2.91Å; R612-F616 HydrophobicContact CG-CD2 3.63Å; R612-F616 HydrophobicContact CG-CE2 3.96Å; R612-F616 WeakPolarHBondContact O-CB 3.48Å; R612-F616 VanDerWaalsContact O-CD2 3.3Å; R612-F616 WeakPolarHBondContact O-CD2 3.07Å; R612-F616 PolarHBondContact O-N 3.28Å
613	S	94.6	Very high	92.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-42.9	178	-169.2	0	0	0	0	111.9	Q609 Y610 L615 F616 H617 Q642	Q609-S613 WeakPolarHBondContact O-CB 3.14Å; Q609-S613 PolarHBondContact O-N 3.41Å; Y610-S613 PolarHBondContact O-N 3.26Å; Y610-S613 VanDerWaalsContact O-N 3.08Å; S613-L615 PolarHBondContact O-N 2.64Å; S613-F616 PolarHBondContact O-N 3.28Å; S613-H617 PolarHBondContact O-N 3.06Å; S613-H617 PolarHBondContact O-ND1 3.31Å; S613-H617 PolarHBondContact OG-CE1 3.33Å; S613-H617 PolarHBondContact OG-ND1 3.03Å; S613-Q642 WeakPolarHBondContact OG-CG 3.5Å
614	V	93.6	Very high	92.3	Very high	34 Å²	34	34.7 Å²	34.7	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-51	173.8	174	0	0	0	0	111.2	Y610 W611 R612 F616 H617 N618 Q642	Y610-V614 HydrophobicContact CD1-CG2 4.42Å; Y610-V614 HydrophobicContact CE1-CG2 3.97Å; Y610-V614 HydrophobicContact CE2-CG2 4.08Å; Y610-V614 WeakPolarHBondContact O-CG2 3.14Å; Y610-V614 PolarHBondContact O-N 3.37Å; W611-V614 HydrophobicContact CE3-CB 4.47Å; R612-V614 PolarHBondContact O-N 2.98Å; V614-F616 PolarHBondContact O-N 2.83Å; V614-H617 PolarHBondContact O-N 3.21Å; V614-N618 PolarHBondContact O-N 3.21Å; V614-Q642 HydrophobicContact CG2-CG 4.41Å
615	L	93.2	Very high	91.8	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-40.7	-177.4	179.1	61.5	0	0	0	113.2	M530 N532 T540 V542 L594 W611 R612 S613 H617 N618	M530-L615 HydrophobicContact SD-CD2 4.49Å; M530-L615 HydrophobicContact SD-CG 4.28Å; N532-L615 HydrophobicContact CB-CD1 3.79Å; T540-L615 HydrophobicContact CG2-CD2 3.69Å; V542-L615 HydrophobicContact CG1-CD2 3.39Å; L594-L615 HydrophobicContact CD2-CD2 4.48Å; W611-L615 WeakPolarHBondContact O-CB 3.26Å; W611-L615 PolarHBondContact O-N 2.88Å; R612-L615 PolarHBondContact O-N 2.91Å; S613-L615 PolarHBondContact O-N 2.64Å; L615-H617 VanDerWaalsContact C-N 3.32Å; L615-H617 PolarHBondContact O-N 3.13Å; L615-N618 WeakPolarHBondContact O-CB 3.22Å
616	F	93.4	Very high	91.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-83.8	0.8	-175.3	-83.9	-92.5	0	0	0	114.7	M530 V542 E563 Q566 F592 R612 S613 V614 H619	M530-F616 HydrophobicContact CE-CD1 4.35Å; M530-F616 HydrophobicContact CE-CE1 4.42Å; M530-F616 HydrophobicContact SD-CD1 4.41Å; M530-F616 HydrophobicContact SD-CE1 3.97Å; M530-F616 HydrophobicContact SD-CE2 4.15Å; M530-F616 HydrophobicContact SD-CZ 3.82Å; V542-F616 HydrophobicContact CB-CE2 4.04Å; V542-F616 HydrophobicContact CB-CZ 4.03Å; V542-F616 HydrophobicContact CG1-CE2 3.89Å; V542-F616 HydrophobicContact CG1-CZ 4.17Å; V542-F616 HydrophobicContact CG2-CZ 4.42Å; E563-F616 HydrophobicContact CB-CD1 3.83Å; E563-F616 HydrophobicContact CG-CD1 3.79Å; E563-F616 HydrophobicContact CG-CE1 4.18Å; Q566-F616 HydrophobicContact CG-CB 4.25Å; Q566-F616 HydrophobicContact CG-CD1 3.99Å; Q566-F616 HydrophobicContact CG-CG 4.16Å; F592-F616 HydrophobicContact CB-CE2 4Å; F592-F616 HydrophobicContact CB-CZ 3.74Å; F592-F616 HydrophobicContact CD1-CE1 4.29Å; F592-F616 HydrophobicContact CD1-CE2 4.45Å; F592-F616 AromaticContact CD1-CZ 3.57Å; F592-F616 HydrophobicContact CD1-CZ 3.57Å; F592-F616 AromaticContact CD2-CE1 3.53Å; F592-F616 HydrophobicContact CD2-CE1 3.53Å; F592-F616 HydrophobicContact CD2-CE2 4.49Å; F592-F616 AromaticContact CD2-CZ 3.52Å; F592-F616 HydrophobicContact CD2-CZ 3.52Å; F592-F616 HydrophobicContact CE1-CE1 4.41Å; F592-F616 AromaticContact CE1-CZ 4Å; F592-F616 HydrophobicContact CE1-CZ 4Å; F592-F616 AromaticContact CE2-CE1 3.66Å; F592-F616 HydrophobicContact CE2-CE1 3.66Å; F592-F616 AromaticContact CE2-CZ 3.94Å; F592-F616 HydrophobicContact CE2-CZ 3.94Å; F592-F616 AromaticContact CG-CE1 3.87Å; F592-F616 HydrophobicContact CG-CE1 3.87Å; F592-F616 HydrophobicContact CG-CE2 4.08Å; F592-F616 AromaticContact CG-CZ 3.31Å; F592-F616 HydrophobicContact CG-CZ 3.31Å; F592-F616 HydrophobicContact CZ-CE1 4.11Å; F592-F616 HydrophobicContact CZ-CZ 4.17Å; R612-F616 HydrophobicContact CG-CD2 3.63Å; R612-F616 HydrophobicContact CG-CE2 3.96Å; R612-F616 WeakPolarHBondContact O-CB 3.48Å; R612-F616 VanDerWaalsContact O-CD2 3.3Å; R612-F616 WeakPolarHBondContact O-CD2 3.07Å; R612-F616 PolarHBondContact O-N 3.28Å; S613-F616 PolarHBondContact O-N 3.28Å; V614-F616 PolarHBondContact O-N 2.83Å; F616-H619 PolarHBondContact O-CE1 2.87Å; F616-H619 PolarHBondContact O-ND1 2.95Å
617	H	92.6	Very high	90.4	Very high	27 Å²	27	39.4 Å²	39.4	13%	0.125	23%	0.232	C	C	.	.	H	α-helix	trans	-118.4	2	171.6	-59.6	108.3	0	0	0	112.8	S613 V614 L615 H619 F620 S638	S613-H617 PolarHBondContact O-N 3.06Å; S613-H617 PolarHBondContact O-ND1 3.31Å; S613-H617 PolarHBondContact OG-CE1 3.33Å; S613-H617 PolarHBondContact OG-ND1 3.03Å; V614-H617 PolarHBondContact O-N 3.21Å; L615-H617 VanDerWaalsContact C-N 3.32Å; L615-H617 PolarHBondContact O-N 3.13Å; H617-H619 PolarHBondContact O-N 3.2Å; H617-H619 VanDerWaalsContact O-N 3.08Å; H617-F620 HydrophobicContact CB-CD2 3.87Å; H617-F620 HydrophobicContact CB-CE2 3.88Å; H617-F620 AromaticContact CD2-CE2 3.53Å; H617-F620 AromaticContact CG-CE2 3.99Å; H617-F620 WeakPolarHBondContact O-CD2 3.44Å; H617-F620 PolarHBondContact O-N 2.91Å; H617-F620 VanDerWaalsContact O-N 3.11Å; H617-S638 VanDerWaalsContact CE1-CB 3.41Å; H617-S638 WeakPolarHBondContact CE1-CB 3.36Å; H617-S638 VanDerWaalsContact CG-CB 3.5Å; H617-S638 WeakPolarHBondContact ND1-CB 3.33Å
618	N	89.3	Confident	89.9	Confident	24 Å²	24	41.8 Å²	41.8	13%	0.128	24%	0.24	C	C	.	.	H	α-helix	trans	-56.5	-19.8	169.2	-80.8	-28.7	0	0	0	113.5	N532 A534 V614 L615 F620 S621	N532-N618 PolarHBondContact OD1-ND2 2.88Å; A534-N618 WeakPolarHBondContact CB-OD1 3.44Å; V614-N618 PolarHBondContact O-N 3.21Å; L615-N618 WeakPolarHBondContact O-CB 3.22Å; N618-F620 VanDerWaalsContact C-N 3.3Å; N618-F620 PolarHBondContact O-N 3.3Å; N618-S621 PolarHBondContact O-OG 3.35Å
619	H	88.1	Confident	89.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-29.5	176.2	63.3	-99.3	0	0	0	112.6	E516 E563 F616 H617 S621 F622 L623	E516-H619 HydrophobicContact CB-CB 4.2Å; E563-H619 IonicContact OE2-CE1 2.67Å; E563-H619 IonicContact OE2-CG 2.62Å; E563-H619 IonicContact OE2-ND1 2.72Å; E563-H619 PolarHBondContact OE2-ND1 2.86Å; F616-H619 PolarHBondContact O-CE1 2.87Å; F616-H619 PolarHBondContact O-ND1 2.95Å; H617-H619 PolarHBondContact O-N 3.2Å; H617-H619 VanDerWaalsContact O-N 3.08Å; H619-S621 PolarHBondContact O-N 3.37Å; H619-F622 WeakPolarHBondContact O-CB 3.48Å; H619-F622 PolarHBondContact O-N 2.94Å; H619-F622 VanDerWaalsContact O-N 3.1Å; H619-L623 WeakPolarHBondContact O-CG 3.45Å; H619-L623 PolarHBondContact O-N 2.77Å
620	F	88.7	Confident	89.1	Confident	9 Å²	9	48.5 Å²	48.5	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-42	-179.9	-65	-48.9	0	0	0	112.5	H617 N618 F622 L623 S624 V630 A634 Q635	H617-F620 HydrophobicContact CB-CD2 3.87Å; H617-F620 HydrophobicContact CB-CE2 3.88Å; H617-F620 AromaticContact CD2-CE2 3.53Å; H617-F620 AromaticContact CG-CE2 3.99Å; H617-F620 WeakPolarHBondContact O-CD2 3.44Å; H617-F620 PolarHBondContact O-N 2.91Å; H617-F620 VanDerWaalsContact O-N 3.11Å; N618-F620 VanDerWaalsContact C-N 3.3Å; N618-F620 PolarHBondContact O-N 3.3Å; F620-F622 VanDerWaalsContact C-N 3.32Å; F620-F622 PolarHBondContact O-N 2.83Å; F620-L623 PolarHBondContact O-N 2.93Å; F620-S624 VanDerWaalsContact O-CB 3.31Å; F620-S624 WeakPolarHBondContact O-CB 3.43Å; F620-S624 PolarHBondContact O-N 3.15Å; F620-V630 HydrophobicContact CB-CG1 4.44Å; F620-V630 HydrophobicContact CD1-CG1 3.85Å; F620-V630 HydrophobicContact CG-CG1 4.42Å; F620-A634 HydrophobicContact CZ-CB 3.94Å; F620-Q635 HydrophobicContact CD2-CB 3.73Å; F620-Q635 HydrophobicContact CD2-CG 3.77Å; F620-Q635 VanDerWaalsContact CE2-CA 3.5Å; F620-Q635 HydrophobicContact CE2-CB 3.75Å; F620-Q635 HydrophobicContact CE2-CG 4.22Å; F620-Q635 HydrophobicContact CG-CB 4.15Å; F620-Q635 HydrophobicContact CG-CG 4.27Å; F620-Q635 HydrophobicContact CZ-CB 4.19Å
621	S	84.6	Confident	88.7	Confident	75 Å²	75	52.2 Å²	52.2	52%	0.524	30%	0.295	S	S	.	.	H	α-helix	trans	-67.5	-33	176.3	65.9	0	0	0	0	112.3	N618 H619 S625	N618-S621 PolarHBondContact O-OG 3.35Å; H619-S621 PolarHBondContact O-N 3.37Å; S621-S625 VanDerWaalsContact O-CB 3.26Å; S621-S625 WeakPolarHBondContact O-CB 3.29Å; S621-S625 PolarHBondContact O-N 3.09Å; S621-S625 PolarHBondContact O-OG 2.97Å
622	F	85.8	Confident	88.4	Confident	17 Å²	17	53.6 Å²	53.6	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-42.6	173.9	170.7	-102.6	0	0	0	113	Q463 H619 F620 S625 S626	Q463-F622 HydrophobicContact CG-CZ 4.19Å; H619-F622 WeakPolarHBondContact O-CB 3.48Å; H619-F622 PolarHBondContact O-N 2.94Å; H619-F622 VanDerWaalsContact O-N 3.1Å; F620-F622 VanDerWaalsContact C-N 3.32Å; F620-F622 PolarHBondContact O-N 2.83Å; F622-S625 PolarHBondContact O-OG 2.9Å; F622-S626 WeakPolarHBondContact CE2-OG 3.36Å; F622-S626 WeakPolarHBondContact O-CB 3.1Å; F622-S626 PolarHBondContact O-N 2.98Å; F622-S626 PolarHBondContact O-OG 3.42Å
623	L	87	Confident	88.3	Confident	28 Å²	28	55 Å²	55	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-51.4	176.5	-69.1	174	0	0	0	110.3	H619 F620 S626 G627 Y628 V630	H619-L623 WeakPolarHBondContact O-CG 3.45Å; H619-L623 PolarHBondContact O-N 2.77Å; F620-L623 PolarHBondContact O-N 2.93Å; L623-S626 CarbonylContact O-C 3.57Å; L623-S626 PolarHBondContact O-N 3.41Å; L623-G627 PolarHBondContact O-N 3.44Å; L623-Y628 HydrophobicContact CD2-CD2 4.01Å; L623-Y628 HydrophobicContact CD2-CG 3.98Å; L623-Y628 PolarHBondContact O-N 3.33Å; L623-V630 HydrophobicContact CB-CG2 3.58Å; L623-V630 HydrophobicContact CD1-CG2 4.39Å
624	S	86.8	Confident	88	Confident	83 Å²	83	55.8 Å²	55.8	58%	0.58	33%	0.333	S	S	*	.	H	α-helix	trans	-57.1	-52.8	177.1	174.9	0	0	0	0	112.2	F620 S626 G627	F620-S624 VanDerWaalsContact O-CB 3.31Å; F620-S624 WeakPolarHBondContact O-CB 3.43Å; F620-S624 PolarHBondContact O-N 3.15Å; S624-S626 PolarHBondContact O-N 2.9Å; S624-S626 VanDerWaalsContact O-N 3.16Å; S624-G627 PolarHBondContact O-N 3.24Å
625	S	83.8	Confident	87.9	Confident	100 Å²	100	57.4 Å²	57.4	70%	0.699	34%	0.339	S	S	*	.	H	α-helix	trans	-67.9	-14.4	179.3	60.2	0	0	0	0	114.9	S621 F622	S621-S625 VanDerWaalsContact O-CB 3.26Å; S621-S625 WeakPolarHBondContact O-CB 3.29Å; S621-S625 PolarHBondContact O-N 3.09Å; S621-S625 PolarHBondContact O-OG 2.97Å; F622-S625 PolarHBondContact O-OG 2.9Å
626	S	81.8	Confident	87.8	Confident	38 Å²	38	60.5 Å²	60.5	27%	0.266	36%	0.358	S	S	.	.	H	α-helix	trans	-99.7	-5.4	173	-56.8	0	0	0	0	113.5	F622 L623 S624	F622-S626 WeakPolarHBondContact CE2-OG 3.36Å; F622-S626 WeakPolarHBondContact O-CB 3.1Å; F622-S626 PolarHBondContact O-N 2.98Å; F622-S626 PolarHBondContact O-OG 3.42Å; L623-S626 CarbonylContact O-C 3.57Å; L623-S626 PolarHBondContact O-N 3.41Å; S624-S626 PolarHBondContact O-N 2.9Å; S624-S626 VanDerWaalsContact O-N 3.16Å
627	G	79.8	Confident	87.8	Confident	71 Å²	71	66 Å²	66	73%	0.732	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	24.6	-179.7	0	0	0	0	0	115.3	L623 S624	L623-G627 PolarHBondContact O-N 3.44Å; S624-G627 PolarHBondContact O-N 3.24Å
628	Y	86.1	Confident	87.7	Confident	90 Å²	90	65 Å²	65	35%	0.353	38%	0.379	S	S	.	.			trans	-84	157.3	167.9	-67.8	-79.9	0	0	0	111	L623	L623-Y628 HydrophobicContact CD2-CD2 4.01Å; L623-Y628 HydrophobicContact CD2-CG 3.98Å; L623-Y628 PolarHBondContact O-N 3.33Å
629	E	87.9	Confident	87.8	Confident	193 Å²	193	67 Å²	67	90%	0.902	39%	0.39	S	S	*	.			trans	-63.4	141.6	173.3	-63	-178.9	173.3	0	0	111.4
630	V	86.9	Confident	88.1	Confident	40 Å²	40	72.6 Å²	72.6	24%	0.242	41%	0.414	C	S	.	.			trans	-129.1	134.1	-177.8	170.6	0	0	0	0	109.5	F620 L623 E632	F620-V630 HydrophobicContact CB-CG1 4.44Å; F620-V630 HydrophobicContact CD1-CG1 3.85Å; F620-V630 HydrophobicContact CG-CG1 4.42Å; L623-V630 HydrophobicContact CB-CG2 3.58Å; L623-V630 HydrophobicContact CD1-CG2 4.39Å; V630-E632 PolarHBondContact O-N 3.27Å; V630-E632 VanDerWaalsContact O-N 3.13Å
631	D	88.8	Confident	88.4	Confident	95 Å²	95	76.3 Å²	76.3	51%	0.508	43%	0.432	S	S	.	.			trans	-79.1	90	169.6	-176.8	-10.3	0	0	0	109.8	A633 A634 Q635	D631-A633 PolarHBondContact O-N 2.88Å; D631-A633 WeakPolarHBondContact OD1-CA 3.23Å; D631-A633 WeakPolarHBondContact OD1-CB 3.36Å; D631-A633 PolarHBondContact OD1-N 2.95Å; D631-A634 HydrophobicContact CB-CB 3.85Å; D631-A634 VanDerWaalsContact CG-CB 3.44Å; D631-A634 PolarHBondContact O-N 3.12Å; D631-A634 VanDerWaalsContact O-N 3.15Å; D631-A634 PolarHBondContact OD1-N 2.74Å; D631-A634 WeakPolarHBondContact OD2-CB 3.24Å; D631-Q635 PolarHBondContact O-N 3.09Å
632	E	89.1	Confident	88.8	Confident	150 Å²	150	73.9 Å²	73.9	70%	0.701	41%	0.412	S	S	*	.	H	α-helix	trans	-55.9	-29.7	175.6	-64.1	-175.9	170	0	0	112.7	V630 T636	V630-E632 PolarHBondContact O-N 3.27Å; V630-E632 VanDerWaalsContact O-N 3.13Å; E632-T636 WeakPolarHBondContact O-CB 3.26Å; E632-T636 PolarHBondContact O-N 2.97Å; E632-T636 PolarHBondContact O-OG1 2.91Å
633	A	91.6	Very high	89.4	Confident	70 Å²	70	74.3 Å²	74.3	58%	0.579	42%	0.415	S	S	*	.	H	α-helix	trans	-75	-38.5	179.2	0	0	0	0	0	111.3	D631 Q637	D631-A633 PolarHBondContact O-N 2.88Å; D631-A633 WeakPolarHBondContact OD1-CA 3.23Å; D631-A633 WeakPolarHBondContact OD1-CB 3.36Å; D631-A633 PolarHBondContact OD1-N 2.95Å; A633-Q637 VanDerWaalsContact O-CB 3.23Å; A633-Q637 WeakPolarHBondContact O-CB 3.28Å; A633-Q637 PolarHBondContact O-N 3.06Å
634	A	89.8	Confident	89.8	Confident	18 Å²	18	78.2 Å²	78.2	15%	0.149	43%	0.432	C	S	.	.	H	α-helix	trans	-64.5	-45	170.3	0	0	0	0	0	111.8	F620 D631 Q637 S638	F620-A634 HydrophobicContact CZ-CB 3.94Å; D631-A634 HydrophobicContact CB-CB 3.85Å; D631-A634 VanDerWaalsContact CG-CB 3.44Å; D631-A634 PolarHBondContact O-N 3.12Å; D631-A634 VanDerWaalsContact O-N 3.15Å; D631-A634 PolarHBondContact OD1-N 2.74Å; D631-A634 WeakPolarHBondContact OD2-CB 3.24Å; A634-Q637 CarbonylContact O-C 3.4Å; A634-Q637 WeakPolarHBondContact O-CB 2.94Å; A634-Q637 PolarHBondContact O-N 3.19Å; A634-Q637 VanDerWaalsContact O-N 3.12Å; A634-S638 PolarHBondContact O-N 2.95Å; A634-S638 PolarHBondContact O-OG 3.44Å
635	Q	90.3	Very high	90.3	Very high	69 Å²	69	74.5 Å²	74.5	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-60.1	-50.2	175.3	-176.5	177.8	-13.5	0	0	111.6	F620 D631 Q637 S638 D639	F620-Q635 HydrophobicContact CD2-CB 3.73Å; F620-Q635 HydrophobicContact CD2-CG 3.77Å; F620-Q635 VanDerWaalsContact CE2-CA 3.5Å; F620-Q635 HydrophobicContact CE2-CB 3.75Å; F620-Q635 HydrophobicContact CE2-CG 4.22Å; F620-Q635 HydrophobicContact CG-CB 4.15Å; F620-Q635 HydrophobicContact CG-CG 4.27Å; F620-Q635 HydrophobicContact CZ-CB 4.19Å; D631-Q635 PolarHBondContact O-N 3.09Å; Q635-Q637 PolarHBondContact O-N 3.39Å; Q635-Q637 VanDerWaalsContact O-N 3.12Å; Q635-S638 WeakPolarHBondContact CA-OG 3.33Å; Q635-S638 PolarHBondContact O-N 3.03Å; Q635-S638 VanDerWaalsContact O-N 3.13Å; Q635-S638 PolarHBondContact O-OG 2.82Å; Q635-D639 PolarHBondContact O-N 2.82Å
636	T	92.3	Very high	90.9	Very high	69 Å²	69	69.7 Å²	69.7	42%	0.423	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-26.3	176.3	-57.7	0	0	0	0	112.1	E632 K640	E632-T636 WeakPolarHBondContact O-CB 3.26Å; E632-T636 PolarHBondContact O-N 2.97Å; E632-T636 PolarHBondContact O-OG1 2.91Å; T636-K640 VanDerWaalsContact O-CD 3.23Å; T636-K640 WeakPolarHBondContact O-CD 3.13Å; T636-K640 WeakPolarHBondContact O-CE 3.39Å; T636-K640 WeakPolarHBondContact O-CG 3.45Å; T636-K640 PolarHBondContact O-N 3.21Å
637	Q	92.6	Very high	91.6	Very high	117 Å²	117	69.4 Å²	69.4	55%	0.547	37%	0.367	S	S	.	.	H	α-helix	trans	-81.5	-38.6	175.8	-178.5	58.6	28.2	0	0	112.7	A633 A634 Q635 D639 K640 E641	A633-Q637 VanDerWaalsContact O-CB 3.23Å; A633-Q637 WeakPolarHBondContact O-CB 3.28Å; A633-Q637 PolarHBondContact O-N 3.06Å; A634-Q637 CarbonylContact O-C 3.4Å; A634-Q637 WeakPolarHBondContact O-CB 2.94Å; A634-Q637 PolarHBondContact O-N 3.19Å; A634-Q637 VanDerWaalsContact O-N 3.12Å; Q635-Q637 PolarHBondContact O-N 3.39Å; Q635-Q637 VanDerWaalsContact O-N 3.12Å; Q637-D639 VanDerWaalsContact C-N 3.34Å; Q637-K640 PolarHBondContact O-N 2.92Å; Q637-E641 PolarHBondContact O-N 3.46Å; Q637-E641 VanDerWaalsContact O-N 3.11Å
638	S	90.6	Very high	92.4	Very high	4 Å²	4	70.5 Å²	70.5	3%	0.028	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-39.9	174.1	54.6	0	0	0	0	111.8	H617 A634 Q635 K640 E641 Q642	H617-S638 VanDerWaalsContact CE1-CB 3.41Å; H617-S638 WeakPolarHBondContact CE1-CB 3.36Å; H617-S638 VanDerWaalsContact CG-CB 3.5Å; H617-S638 WeakPolarHBondContact ND1-CB 3.33Å; A634-S638 PolarHBondContact O-N 2.95Å; A634-S638 PolarHBondContact O-OG 3.44Å; Q635-S638 WeakPolarHBondContact CA-OG 3.33Å; Q635-S638 PolarHBondContact O-N 3.03Å; Q635-S638 VanDerWaalsContact O-N 3.13Å; Q635-S638 PolarHBondContact O-OG 2.82Å; S638-K640 VanDerWaalsContact C-N 3.33Å; S638-K640 PolarHBondContact O-N 3.02Å; S638-E641 PolarHBondContact O-N 3.33Å; S638-E641 VanDerWaalsContact O-N 3.17Å; S638-Q642 WeakPolarHBondContact O-CG 3.48Å; S638-Q642 PolarHBondContact O-N 3.35Å
639	D	92	Very high	92.9	Very high	68 Å²	68	66.5 Å²	66.5	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-66.1	-39.8	-179.9	-62.2	-9.3	0	0	0	110.5	Q635 Q637 E641 Q642 Q643	Q635-D639 PolarHBondContact O-N 2.82Å; Q637-D639 VanDerWaalsContact C-N 3.34Å; D639-E641 PolarHBondContact O-N 3.21Å; D639-Q642 PolarHBondContact O-N 2.99Å; D639-Q643 WeakPolarHBondContact O-CB 3.38Å; D639-Q643 WeakPolarHBondContact O-CG 3.5Å; D639-Q643 PolarHBondContact O-N 3.27Å
640	K	94.1	Very high	93.4	Very high	120 Å²	120	57.3 Å²	57.3	52%	0.522	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-42.5	172	-73.5	165.4	-170	162.1	0	112.3	T636 Q637 S638 Q643 E644	T636-K640 VanDerWaalsContact O-CD 3.23Å; T636-K640 WeakPolarHBondContact O-CD 3.13Å; T636-K640 WeakPolarHBondContact O-CE 3.39Å; T636-K640 WeakPolarHBondContact O-CG 3.45Å; T636-K640 PolarHBondContact O-N 3.21Å; Q637-K640 PolarHBondContact O-N 2.92Å; S638-K640 VanDerWaalsContact C-N 3.33Å; S638-K640 PolarHBondContact O-N 3.02Å; K640-Q643 PolarHBondContact O-N 2.8Å; K640-E644 WeakPolarHBondContact O-CB 3.45Å; K640-E644 PolarHBondContact O-N 2.9Å
641	E	93.9	Very high	93.8	Very high	88 Å²	88	56.2 Å²	56.2	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-46.9	176.8	-173.8	-176.4	-162.9	0	0	111.5	Q637 S638 D639 Q643 E644 L645	Q637-E641 PolarHBondContact O-N 3.46Å; Q637-E641 VanDerWaalsContact O-N 3.11Å; S638-E641 PolarHBondContact O-N 3.33Å; S638-E641 VanDerWaalsContact O-N 3.17Å; D639-E641 PolarHBondContact O-N 3.21Å; E641-Q643 PolarHBondContact O-N 2.88Å; E641-E644 PolarHBondContact O-N 2.94Å; E641-L645 HydrophobicContact CG-CD1 4.16Å; E641-L645 WeakPolarHBondContact O-CG 3.27Å; E641-L645 PolarHBondContact O-N 3.2Å
642	Q	94.9	Very high	94.1	Very high	24 Å²	24	52.7 Å²	52.7	11%	0.112	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-46.4	177.3	-69.8	170.9	36.6	0	0	111.6	Y610 S613 V614 S638 D639 L645 L646	Y610-Q642 HydrophobicContact CD2-CB 4.21Å; Y610-Q642 HydrophobicContact CE2-CB 4.06Å; S613-Q642 WeakPolarHBondContact OG-CG 3.5Å; V614-Q642 HydrophobicContact CG2-CG 4.41Å; S638-Q642 WeakPolarHBondContact O-CG 3.48Å; S638-Q642 PolarHBondContact O-N 3.35Å; D639-Q642 PolarHBondContact O-N 2.99Å; Q642-L645 PolarHBondContact O-N 3.41Å; Q642-L646 WeakPolarHBondContact O-CG 3.33Å; Q642-L646 PolarHBondContact O-N 2.72Å
643	Q	96.4	Very high	94.5	Very high	26 Å²	26	45.9 Å²	45.9	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-33.8	178.4	-65.5	-63.3	-58.8	0	0	112.7	D639 K640 E641 M647 L668 T670 V673	D639-Q643 WeakPolarHBondContact O-CB 3.38Å; D639-Q643 WeakPolarHBondContact O-CG 3.5Å; D639-Q643 PolarHBondContact O-N 3.27Å; K640-Q643 PolarHBondContact O-N 2.8Å; E641-Q643 PolarHBondContact O-N 2.88Å; Q643-M647 WeakPolarHBondContact O-CB 3.4Å; Q643-M647 PolarHBondContact O-N 2.88Å; Q643-L668 PolarHBondContact NE2-O 2.82Å; Q643-T670 HydrophobicContact CG-CG2 4.25Å; Q643-T670 PolarHBondContact OE1-OG1 2.89Å; Q643-T670 VanDerWaalsContact OE1-OG1 3.14Å; Q643-V673 HydrophobicContact CB-CG2 4.1Å; Q643-V673 HydrophobicContact CG-CG2 4.36Å
644	E	96.4	Very high	94.6	Very high	110 Å²	110	42.7 Å²	42.7	51%	0.514	21%	0.212	S	C	.	.	H	α-helix	trans	-66.1	-40.2	172.4	-163.1	-169.8	140.4	0	0	111.4	K640 E641 M647 K648	K640-E644 WeakPolarHBondContact O-CB 3.45Å; K640-E644 PolarHBondContact O-N 2.9Å; E641-E644 PolarHBondContact O-N 2.94Å; E644-M647 PolarHBondContact O-N 2.85Å; E644-K648 VanDerWaalsContact CD-NZ 3.35Å; E644-K648 VanDerWaalsContact O-CG 3.26Å; E644-K648 WeakPolarHBondContact O-CG 3.43Å; E644-K648 PolarHBondContact O-N 3.42Å; E644-K648 WeakPolarHBondContact OE1-CE 3.47Å; E644-K648 IonicContact OE1-NZ 2.69Å; E644-K648 PolarHBondContact OE1-NZ 2.89Å
645	L	96.7	Very high	94.8	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-45.5	174.4	-72.6	166.8	0	0	0	111.9	M606 Q609 E641 Q642 M647 K648 M649	M606-L645 HydrophobicContact CB-CD2 4.43Å; M606-L645 HydrophobicContact CG-CD2 4.35Å; Q609-L645 HydrophobicContact CB-CD1 3.79Å; Q609-L645 HydrophobicContact CB-CD2 4.06Å; E641-L645 HydrophobicContact CG-CD1 4.16Å; E641-L645 WeakPolarHBondContact O-CG 3.27Å; E641-L645 PolarHBondContact O-N 3.2Å; Q642-L645 PolarHBondContact O-N 3.41Å; L645-M647 VanDerWaalsContact C-N 3.35Å; L645-M647 PolarHBondContact O-N 2.79Å; L645-K648 PolarHBondContact O-N 2.87Å; L645-M649 HydrophobicContact CB-CE 4.5Å; L645-M649 WeakPolarHBondContact O-CG 3.45Å; L645-M649 PolarHBondContact O-N 3.17Å
646	L	97.6	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-46.1	173.3	-73.3	169.8	0	0	0	111.6	Y610 Q642 K648 M649 F650 L665 L668 M669	Y610-L646 HydrophobicContact CD2-CD1 4.43Å; Y610-L646 HydrophobicContact CD2-CD2 4.11Å; Y610-L646 HydrophobicContact CD2-CG 3.87Å; Y610-L646 HydrophobicContact CE2-CD1 3.64Å; Y610-L646 HydrophobicContact CE2-CD2 3.77Å; Y610-L646 HydrophobicContact CE2-CG 3.53Å; Q642-L646 WeakPolarHBondContact O-CG 3.33Å; Q642-L646 PolarHBondContact O-N 2.72Å; L646-K648 VanDerWaalsContact C-N 3.35Å; L646-K648 PolarHBondContact O-N 2.99Å; L646-M649 HydrophobicContact CD2-CE 4.03Å; L646-M649 PolarHBondContact O-N 3.02Å; L646-F650 VanDerWaalsContact O-CB 3.27Å; L646-F650 WeakPolarHBondContact O-CB 3.36Å; L646-F650 PolarHBondContact O-N 2.88Å; L646-L665 HydrophobicContact CD2-CD2 4.14Å; L646-L668 HydrophobicContact CD1-CB 3.89Å; L646-L668 WeakPolarHBondContact CD1-O 3.3Å; L646-L668 HydrophobicContact CD2-CB 3.77Å; L646-L668 HydrophobicContact CD2-CD1 3.99Å; L646-M669 HydrophobicContact CB-CE 3.91Å; L646-M669 HydrophobicContact CB-CG 4.07Å; L646-M669 HydrophobicContact CD1-CG 4.1Å
647	M	96.8	Very high	95.1	Very high	32 Å²	32	54.6 Å²	54.6	16%	0.158	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-36.8	178	-175.8	54.8	56.7	0	0	112.5	Q643 E644 L645 F650 A651 M669 V673 L676 A677	Q643-M647 WeakPolarHBondContact O-CB 3.4Å; Q643-M647 PolarHBondContact O-N 2.88Å; E644-M647 PolarHBondContact O-N 2.85Å; L645-M647 VanDerWaalsContact C-N 3.35Å; L645-M647 PolarHBondContact O-N 2.79Å; M647-F650 HydrophobicContact SD-CD1 4.21Å; M647-A651 WeakPolarHBondContact O-CB 3.41Å; M647-A651 PolarHBondContact O-N 2.94Å; M647-M669 HydrophobicContact CE-CE 4.11Å; M647-M669 HydrophobicContact CE-SD 4.17Å; M647-V673 HydrophobicContact CE-CG1 3.54Å; M647-V673 WeakPolarHBondContact CE-O 3.36Å; M647-L676 HydrophobicContact CE-CB 4.3Å; M647-L676 HydrophobicContact CE-CD2 3.72Å; M647-L676 HydrophobicContact CG-CD2 4.34Å; M647-L676 HydrophobicContact SD-CD2 3.78Å; M647-A677 HydrophobicContact CE-CB 4.03Å
648	K	96.6	Very high	95.3	Very high	93 Å²	93	55.6 Å²	55.6	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-44.2	172.7	-70.1	162.2	-179	159.5	0	111.9	M606 E644 L645 L646 A651 L652	M606-K648 HydrophobicContact SD-CB 3.48Å; M606-K648 WeakPolarHBondContact SD-CB 3.45Å; M606-K648 HydrophobicContact SD-CD 4.43Å; E644-K648 VanDerWaalsContact CD-NZ 3.35Å; E644-K648 VanDerWaalsContact O-CG 3.26Å; E644-K648 WeakPolarHBondContact O-CG 3.43Å; E644-K648 PolarHBondContact O-N 3.42Å; E644-K648 WeakPolarHBondContact OE1-CE 3.47Å; E644-K648 IonicContact OE1-NZ 2.69Å; E644-K648 PolarHBondContact OE1-NZ 2.89Å; L645-K648 PolarHBondContact O-N 2.87Å; L646-K648 VanDerWaalsContact C-N 3.35Å; L646-K648 PolarHBondContact O-N 2.99Å; K648-A651 PolarHBondContact O-N 3.17Å; K648-L652 WeakPolarHBondContact O-CB 3.22Å; K648-L652 PolarHBondContact O-N 3Å
649	M	96.7	Very high	95.4	Very high	7 Å²	7	58.4 Å²	58.4	3%	0.034	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-37.2	176.9	-71.5	-170.9	-74.4	0	0	112.4	M606 E607 Y610 L645 L646 L652 S653 L665	M606-M649 HydrophobicContact CB-CG 3.42Å; M606-M649 VanDerWaalsContact CB-CG 3.42Å; M606-M649 HydrophobicContact CB-SD 3.69Å; M606-M649 HydrophobicContact CE-CG 3.95Å; M606-M649 HydrophobicContact CG-CG 4.29Å; M606-M649 HydrophobicContact SD-CG 3.98Å; E607-M649 HydrophobicContact CB-SD 4.38Å; E607-M649 HydrophobicContact CG-SD 3.58Å; E607-M649 VanDerWaalsContact CG-SD 3.58Å; Y610-M649 HydrophobicContact CD2-CE 4.4Å; Y610-M649 HydrophobicContact CG-CE 4.01Å; L645-M649 HydrophobicContact CB-CE 4.5Å; L645-M649 WeakPolarHBondContact O-CG 3.45Å; L645-M649 PolarHBondContact O-N 3.17Å; L646-M649 HydrophobicContact CD2-CE 4.03Å; L646-M649 PolarHBondContact O-N 3.02Å; M649-L652 PolarHBondContact O-N 2.92Å; M649-S653 VanDerWaalsContact O-CB 3.31Å; M649-S653 WeakPolarHBondContact O-CB 3.5Å; M649-S653 PolarHBondContact O-N 3.06Å; M649-S653 PolarHBondContact O-OG 3.21Å; M649-L665 HydrophobicContact CB-CD1 3.8Å; M649-L665 HydrophobicContact CB-CD2 4.14Å; M649-L665 HydrophobicContact CE-CD2 4.39Å
650	F	97.3	Very high	95.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-48.2	172.9	174.8	-84.8	0	0	0	110.9	L646 M647 L652 S653 C654 C662 M669 A677 Y680 L689 L693	L646-F650 VanDerWaalsContact O-CB 3.27Å; L646-F650 WeakPolarHBondContact O-CB 3.36Å; L646-F650 PolarHBondContact O-N 2.88Å; M647-F650 HydrophobicContact SD-CD1 4.21Å; F650-L652 VanDerWaalsContact C-N 3.34Å; F650-L652 PolarHBondContact O-N 3.25Å; F650-S653 PolarHBondContact O-N 2.78Å; F650-C654 WeakPolarHBondContact O-CB 3.46Å; F650-C654 PolarHBondContact O-N 3.48Å; F650-C654 PolarHBondContact O-SG 3.41Å; F650-C654 VanDerWaalsContact O-SG 3.33Å; F650-C662 HydrophobicContact CD2-CB 3.77Å; F650-C662 VanDerWaalsContact CD2-O 3.28Å; F650-C662 WeakPolarHBondContact CD2-O 3.09Å; F650-C662 HydrophobicContact CE2-CB 3.57Å; F650-C662 VanDerWaalsContact CE2-O 3.28Å; F650-C662 WeakPolarHBondContact CE2-O 3.4Å; F650-C662 HydrophobicContact CZ-CB 4.29Å; F650-M669 HydrophobicContact CB-CE 3.63Å; F650-M669 HydrophobicContact CD2-CE 4.12Å; F650-M669 HydrophobicContact CG-CE 4.02Å; F650-A677 HydrophobicContact CD1-CB 4.43Å; F650-A677 HydrophobicContact CD2-CB 4.37Å; F650-A677 HydrophobicContact CE1-CB 3.96Å; F650-A677 HydrophobicContact CE2-CB 3.86Å; F650-A677 HydrophobicContact CZ-CB 3.66Å; F650-Y680 HydrophobicContact CD1-CD1 4.4Å; F650-Y680 AromaticContact CE1-CD1 3.79Å; F650-Y680 HydrophobicContact CE1-CD1 3.79Å; F650-Y680 HydrophobicContact CE1-CG 4.27Å; F650-L689 HydrophobicContact CZ-CD2 4.4Å; F650-L693 HydrophobicContact CE2-CD1 3.71Å; F650-L693 HydrophobicContact CE2-CD2 4.07Å; F650-L693 HydrophobicContact CZ-CD1 3.61Å
651	A	95.8	Very high	95.7	Very high	17 Å²	17	59.6 Å²	59.6	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-36.7	176.5	0	0	0	0	0	112.7	M647 K648 K655 Y680	M647-A651 WeakPolarHBondContact O-CB 3.41Å; M647-A651 PolarHBondContact O-N 2.94Å; K648-A651 PolarHBondContact O-N 3.17Å; A651-K655 VanDerWaalsContact O-CG 3.32Å; A651-K655 WeakPolarHBondContact O-CG 3.4Å; A651-K655 PolarHBondContact O-N 3.15Å; A651-Y680 HydrophobicContact CB-CE1 4.46Å; A651-Y680 HydrophobicContact CB-CE2 4.35Å
652	L	95.8	Very high	95.8	Very high	21 Å²	21	55.4 Å²	55.4	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-45.3	171.9	178.5	60.4	0	0	0	111.5	E602 K603 M606 K648 M649 F650 C654 K655 L656	E602-L652 HydrophobicContact CB-CD2 3.96Å; K603-L652 HydrophobicContact CB-CD2 4.26Å; M606-L652 HydrophobicContact CE-CB 4.19Å; M606-L652 HydrophobicContact CE-CD2 3.47Å; M606-L652 VanDerWaalsContact CE-CD2 3.47Å; M606-L652 HydrophobicContact CE-CG 4.46Å; K648-L652 WeakPolarHBondContact O-CB 3.22Å; K648-L652 PolarHBondContact O-N 3Å; M649-L652 PolarHBondContact O-N 2.92Å; F650-L652 VanDerWaalsContact C-N 3.34Å; F650-L652 PolarHBondContact O-N 3.25Å; L652-C654 VanDerWaalsContact C-N 3.29Å; L652-C654 PolarHBondContact O-N 2.85Å; L652-K655 WeakPolarHBondContact O-CB 3.36Å; L652-K655 PolarHBondContact O-N 3.32Å; L652-L656 HydrophobicContact CD1-CD1 3.99Å; L652-L656 HydrophobicContact CD1-CG 4.22Å; L652-L656 HydrophobicContact CG-CD1 4Å; L652-L656 WeakPolarHBondContact O-CG 3.28Å; L652-L656 PolarHBondContact O-N 3.45Å
653	S	95.7	Very high	95.8	Very high	7 Å²	7	55.4 Å²	55.4	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-34.4	178.5	-60.6	0	0	0	0	112	M649 F650 L656 E657 R658 R661 C662	M649-S653 VanDerWaalsContact O-CB 3.31Å; M649-S653 WeakPolarHBondContact O-CB 3.5Å; M649-S653 PolarHBondContact O-N 3.06Å; M649-S653 PolarHBondContact O-OG 3.21Å; F650-S653 PolarHBondContact O-N 2.78Å; S653-L656 CarbonylContact O-C 3.58Å; S653-L656 PolarHBondContact O-N 3.25Å; S653-E657 PolarHBondContact O-N 3.24Å; S653-R658 PolarHBondContact O-N 3.05Å; S653-R661 VanDerWaalsContact OG-CD 3.28Å; S653-R661 WeakPolarHBondContact OG-CD 3.12Å; S653-C662 VanDerWaalsContact C-SG 3.52Å; S653-C662 WeakPolarHBondContact CB-SG 3.25Å
654	C	94.8	Very high	95.8	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-55.1	168.4	-74.1	0	0	0	0	110.9	F650 L652 L656 E657 C662 Y680 R686	F650-C654 WeakPolarHBondContact O-CB 3.46Å; F650-C654 PolarHBondContact O-N 3.48Å; F650-C654 PolarHBondContact O-SG 3.41Å; F650-C654 VanDerWaalsContact O-SG 3.33Å; L652-C654 VanDerWaalsContact C-N 3.29Å; L652-C654 PolarHBondContact O-N 2.85Å; C654-L656 PolarHBondContact O-N 3.22Å; C654-L656 VanDerWaalsContact O-N 3.09Å; C654-E657 PolarHBondContact O-N 3.08Å; C654-C662 PolarHBondContact N-SG 3.28Å; C654-C662 VanDerWaalsContact N-SG 3.42Å; C654-Y680 HydrophobicContact CB-CE1 3.92Å; C654-R686 PolarHBondContact O-NH1 3.4Å; C654-R686 PolarHBondContact O-NH2 3.42Å
655	K	93.8	Very high	95.8	Very high	153 Å²	153	53.8 Å²	53.8	67%	0.665	25%	0.247	S	C	*	.	H	α-helix	trans	-54.3	-30.5	177.3	-70.9	167.8	-175.8	175.4	0	113.3	A651 L652	A651-K655 VanDerWaalsContact O-CG 3.32Å; A651-K655 WeakPolarHBondContact O-CG 3.4Å; A651-K655 PolarHBondContact O-N 3.15Å; L652-K655 WeakPolarHBondContact O-CB 3.36Å; L652-K655 PolarHBondContact O-N 3.32Å
656	L	95.1	Very high	95.8	Very high	96 Å²	96	53.6 Å²	53.6	50%	0.503	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.7	178.4	-64.5	174.6	0	0	0	114.3	L652 S653 C654 R658	L652-L656 HydrophobicContact CD1-CD1 3.99Å; L652-L656 HydrophobicContact CD1-CG 4.22Å; L652-L656 HydrophobicContact CG-CD1 4Å; L652-L656 WeakPolarHBondContact O-CG 3.28Å; L652-L656 PolarHBondContact O-N 3.45Å; S653-L656 CarbonylContact O-C 3.58Å; S653-L656 PolarHBondContact O-N 3.25Å; C654-L656 PolarHBondContact O-N 3.22Å; C654-L656 VanDerWaalsContact O-N 3.09Å; L656-R658 PolarHBondContact O-N 3.44Å; L656-R658 VanDerWaalsContact O-N 3.14Å
657	E	94.3	Very high	95.7	Very high	157 Å²	157	58.7 Å²	58.7	73%	0.734	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	21.4	177.9	-71.3	174.1	176.5	0	0	115	S653 C654 E659 R686	S653-E657 PolarHBondContact O-N 3.24Å; C654-E657 PolarHBondContact O-N 3.08Å; E657-E659 PolarHBondContact O-N 3.2Å; E657-R686 VanDerWaalsContact CG-NH2 3.33Å
658	R	95.3	Very high	95.6	Very high	137 Å²	137	60.5 Å²	60.5	52%	0.517	28%	0.28	S	S	.	.			trans	-94.1	69.8	179	-66.5	177.9	-174.1	-115.8	0.1	111	S653 L656 F660 R661 C662	S653-R658 PolarHBondContact O-N 3.05Å; L656-R658 PolarHBondContact O-N 3.44Å; L656-R658 VanDerWaalsContact O-N 3.14Å; R658-F660 VanDerWaalsContact C-N 3.34Å; R658-F660 PolarHBondContact O-N 3.01Å; R658-R661 HydrophobicContact CB-CB 4.19Å; R658-R661 PolarHBondContact O-N 3.03Å; R658-R661 VanDerWaalsContact O-N 3.15Å; R658-C662 PolarHBondContact O-N 3.22Å; R658-C662 PolarHBondContact O-SG 3.25Å
659	E	94	Very high	95.5	Very high	64 Å²	64	56.2 Å²	56.2	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-39.5	-175.4	-60.2	-161	160.8	0	0	113.2	E657 R661 C662 V663 R686 L689	E657-E659 PolarHBondContact O-N 3.2Å; E659-R661 VanDerWaalsContact C-N 3.31Å; E659-R661 PolarHBondContact O-N 3.38Å; E659-C662 WeakPolarHBondContact O-CA 3.28Å; E659-C662 WeakPolarHBondContact O-CB 3.49Å; E659-C662 PolarHBondContact O-N 2.82Å; E659-V663 PolarHBondContact O-N 3.1Å; E659-R686 WeakPolarHBondContact OE1-CB 3.44Å; E659-R686 WeakPolarHBondContact OE1-CD 3.24Å; E659-R686 WeakPolarHBondContact OE1-CG 3.41Å; E659-R686 IonicContact OE1-CZ 3.85Å; E659-R686 IonicContact OE1-NE 2.58Å; E659-R686 IonicContact OE1-NH1 3.92Å; E659-L689 HydrophobicContact CB-CB 4.46Å; E659-L689 HydrophobicContact CB-CD2 4.45Å; E659-L689 HydrophobicContact CG-CD2 4.38Å
660	F	95.4	Very high	95.4	Very high	155 Å²	155	59.1 Å²	59.1	68%	0.68	28%	0.279	S	S	*	.	H	α-helix	trans	-57.3	-41.7	175.7	-171.8	-93.5	0	0	0	112.5	R658 C662 V663 E664	R658-F660 VanDerWaalsContact C-N 3.34Å; R658-F660 PolarHBondContact O-N 3.01Å; F660-C662 PolarHBondContact O-N 2.79Å; F660-V663 WeakPolarHBondContact O-CA 3.35Å; F660-V663 VanDerWaalsContact O-CB 3.25Å; F660-V663 WeakPolarHBondContact O-CB 3.25Å; F660-V663 PolarHBondContact O-N 2.77Å; F660-E664 HydrophobicContact CD1-CG 3.98Å; F660-E664 HydrophobicContact CE1-CG 3.8Å; F660-E664 WeakPolarHBondContact CE1-OE1 3.38Å; F660-E664 PolarHBondContact O-N 2.97Å; F660-E664 VanDerWaalsContact O-N 3.1Å
661	R	96.1	Very high	95.2	Very high	57 Å²	57	62.5 Å²	62.5	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-25.2	174.8	-177.7	178	-63.9	158.7	0.2	113.5	S653 R658 E659 V663 E664 L665	S653-R661 VanDerWaalsContact OG-CD 3.28Å; S653-R661 WeakPolarHBondContact OG-CD 3.12Å; R658-R661 HydrophobicContact CB-CB 4.19Å; R658-R661 PolarHBondContact O-N 3.03Å; R658-R661 VanDerWaalsContact O-N 3.15Å; E659-R661 VanDerWaalsContact C-N 3.31Å; E659-R661 PolarHBondContact O-N 3.38Å; R661-V663 PolarHBondContact O-N 2.88Å; R661-E664 WeakPolarHBondContact CA-OE2 3.26Å; R661-E664 WeakPolarHBondContact CB-OE2 3.49Å; R661-E664 WeakPolarHBondContact CG-OE2 3.34Å; R661-L665 HydrophobicContact CG-CD1 3.9Å; R661-L665 HydrophobicContact CG-CG 4.18Å; R661-L665 WeakPolarHBondContact O-CB 3.39Å; R661-L665 VanDerWaalsContact O-CG 3.26Å; R661-L665 WeakPolarHBondContact O-CG 3.24Å; R661-L665 PolarHBondContact O-N 3.32Å
662	C	96.2	Very high	95	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-71.6	-23	174.3	-53.5	0	0	0	0	111.3	F650 S653 C654 R658 E659 F660 A666 L689	F650-C662 HydrophobicContact CD2-CB 3.77Å; F650-C662 VanDerWaalsContact CD2-O 3.28Å; F650-C662 WeakPolarHBondContact CD2-O 3.09Å; F650-C662 HydrophobicContact CE2-CB 3.57Å; F650-C662 VanDerWaalsContact CE2-O 3.28Å; F650-C662 WeakPolarHBondContact CE2-O 3.4Å; F650-C662 HydrophobicContact CZ-CB 4.29Å; S653-C662 VanDerWaalsContact C-SG 3.52Å; S653-C662 WeakPolarHBondContact CB-SG 3.25Å; C654-C662 PolarHBondContact N-SG 3.28Å; C654-C662 VanDerWaalsContact N-SG 3.42Å; R658-C662 PolarHBondContact O-N 3.22Å; R658-C662 PolarHBondContact O-SG 3.25Å; E659-C662 WeakPolarHBondContact O-CA 3.28Å; E659-C662 WeakPolarHBondContact O-CB 3.49Å; E659-C662 PolarHBondContact O-N 2.82Å; F660-C662 PolarHBondContact O-N 2.79Å; C662-A666 WeakPolarHBondContact O-CB 3.32Å; C662-A666 PolarHBondContact O-N 3.3Å; C662-L689 HydrophobicContact CB-CD1 3.71Å; C662-L689 HydrophobicContact CB-CD2 3.74Å; C662-L689 HydrophobicContact CB-CG 4.38Å
663	V	96	Very high	94.9	Very high	24 Å²	24	68.2 Å²	68.2	15%	0.145	32%	0.324	C	S	.	.	H	α-helix	trans	-76.2	-53.4	170	-174.1	0	0	0	0	109.6	E659 F660 R661 L665 A666 E667 L689 R692 I696	E659-V663 PolarHBondContact O-N 3.1Å; F660-V663 WeakPolarHBondContact O-CA 3.35Å; F660-V663 VanDerWaalsContact O-CB 3.25Å; F660-V663 WeakPolarHBondContact O-CB 3.25Å; F660-V663 PolarHBondContact O-N 2.77Å; R661-V663 PolarHBondContact O-N 2.88Å; V663-L665 PolarHBondContact O-N 3.06Å; V663-L665 VanDerWaalsContact O-N 3.14Å; V663-A666 WeakPolarHBondContact O-CA 3.29Å; V663-A666 WeakPolarHBondContact O-CB 3.43Å; V663-A666 PolarHBondContact O-N 2.84Å; V663-E667 PolarHBondContact O-N 2.96Å; V663-E667 VanDerWaalsContact O-N 3.14Å; V663-L689 HydrophobicContact CG2-CD1 3.84Å; V663-R692 HydrophobicContact CG2-CB 4.12Å; V663-I696 HydrophobicContact CG1-CD1 3.43Å; V663-I696 VanDerWaalsContact CG1-CD1 3.43Å
664	E	96.4	Very high	94.9	Very high	86 Å²	86	67.9 Å²	67.9	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-49.7	-42.7	175.4	-60.6	174.1	138.7	0	0	112.4	F660 R661 A666	F660-E664 HydrophobicContact CD1-CG 3.98Å; F660-E664 HydrophobicContact CE1-CG 3.8Å; F660-E664 WeakPolarHBondContact CE1-OE1 3.38Å; F660-E664 PolarHBondContact O-N 2.97Å; F660-E664 VanDerWaalsContact O-N 3.1Å; R661-E664 WeakPolarHBondContact CA-OE2 3.26Å; R661-E664 WeakPolarHBondContact CB-OE2 3.49Å; R661-E664 WeakPolarHBondContact CG-OE2 3.34Å; E664-A666 VanDerWaalsContact C-N 3.34Å
665	L	96.5	Very high	94.9	Very high	16 Å²	16	70.8 Å²	70.8	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-75.8	-18.1	179.6	-72.3	169.6	0	0	0	114.1	L646 M649 R661 V663 M669	L646-L665 HydrophobicContact CD2-CD2 4.14Å; M649-L665 HydrophobicContact CB-CD1 3.8Å; M649-L665 HydrophobicContact CB-CD2 4.14Å; M649-L665 HydrophobicContact CE-CD2 4.39Å; R661-L665 HydrophobicContact CG-CD1 3.9Å; R661-L665 HydrophobicContact CG-CG 4.18Å; R661-L665 WeakPolarHBondContact O-CB 3.39Å; R661-L665 VanDerWaalsContact O-CG 3.26Å; R661-L665 WeakPolarHBondContact O-CG 3.24Å; R661-L665 PolarHBondContact O-N 3.32Å; V663-L665 PolarHBondContact O-N 3.06Å; V663-L665 VanDerWaalsContact O-N 3.14Å; L665-M669 WeakPolarHBondContact O-CG 3.37Å
666	A	95.7	Very high	95	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-89	-24.1	177.5	0	0	0	0	0	112.8	C662 V663 E664 L668 M669 V674 L693 K700	C662-A666 WeakPolarHBondContact O-CB 3.32Å; C662-A666 PolarHBondContact O-N 3.3Å; V663-A666 WeakPolarHBondContact O-CA 3.29Å; V663-A666 WeakPolarHBondContact O-CB 3.43Å; V663-A666 PolarHBondContact O-N 2.84Å; E664-A666 VanDerWaalsContact C-N 3.34Å; A666-L668 PolarHBondContact O-N 2.88Å; A666-M669 HydrophobicContact CB-SD 4.23Å; A666-M669 WeakPolarHBondContact O-CB 3.3Å; A666-M669 PolarHBondContact O-N 2.96Å; A666-V674 HydrophobicContact CB-CG2 4.46Å; A666-V674 WeakPolarHBondContact O-CG2 3.36Å; A666-L693 HydrophobicContact CB-CD2 3.25Å; A666-K700 WeakPolarHBondContact O-CE 3.34Å
667	E	95.1	Very high	95	Very high	108 Å²	108	62.9 Å²	62.9	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-58.5	-34.8	168.3	-67	159.9	-149	0	0	111.1	V663 M669 I696 K700	V663-E667 PolarHBondContact O-N 2.96Å; V663-E667 VanDerWaalsContact O-N 3.14Å; E667-M669 VanDerWaalsContact C-N 3.33Å; E667-I696 HydrophobicContact CG-CD1 3.84Å; E667-K700 VanDerWaalsContact O-CE 3.27Å; E667-K700 WeakPolarHBondContact O-CE 3.5Å; E667-K700 PolarHBondContact O-NZ 3.18Å
668	L	94.4	Very high	95.1	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.366	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.4	174.7	-59.3	177.7	0	0	0	114.3	Y610 Q643 L646 A666	Y610-L668 HydrophobicContact CE1-CD1 4.11Å; Q643-L668 PolarHBondContact NE2-O 2.82Å; L646-L668 HydrophobicContact CD1-CB 3.89Å; L646-L668 WeakPolarHBondContact CD1-O 3.3Å; L646-L668 HydrophobicContact CD2-CB 3.77Å; L646-L668 HydrophobicContact CD2-CD1 3.99Å; A666-L668 PolarHBondContact O-N 2.88Å
669	M	95.4	Very high	95	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.015	28%	0.28	C	S	.	.	S	Bend	trans	-86.5	152.8	-179.3	-71.2	173.4	-173.5	0	0	112.5	L646 M647 F650 L665 A666 E667 V673 V674 A677 K700	L646-M669 HydrophobicContact CB-CE 3.91Å; L646-M669 HydrophobicContact CB-CG 4.07Å; L646-M669 HydrophobicContact CD1-CG 4.1Å; M647-M669 HydrophobicContact CE-CE 4.11Å; M647-M669 HydrophobicContact CE-SD 4.17Å; F650-M669 HydrophobicContact CB-CE 3.63Å; F650-M669 HydrophobicContact CD2-CE 4.12Å; F650-M669 HydrophobicContact CG-CE 4.02Å; L665-M669 WeakPolarHBondContact O-CG 3.37Å; A666-M669 HydrophobicContact CB-SD 4.23Å; A666-M669 WeakPolarHBondContact O-CB 3.3Å; A666-M669 PolarHBondContact O-N 2.96Å; E667-M669 VanDerWaalsContact C-N 3.33Å; M669-V673 HydrophobicContact CB-CB 4.25Å; M669-V673 HydrophobicContact CB-CG1 4.26Å; M669-V673 HydrophobicContact CG-CB 4.45Å; M669-V673 HydrophobicContact CG-CG1 3.91Å; M669-V673 HydrophobicContact SD-CG1 3.77Å; M669-V674 HydrophobicContact CB-CG2 3.62Å; M669-A677 HydrophobicContact SD-CB 4.22Å; M669-K700 VanDerWaalsContact O-CE 3.24Å; M669-K700 WeakPolarHBondContact O-CE 3.21Å; M669-K700 PolarHBondContact O-NZ 3.14Å
670	T	93.8	Very high	95.1	Very high	67 Å²	67	58.4 Å²	58.4	41%	0.411	28%	0.281	S	S	.	.			trans	-69.5	150.9	163	58	0	0	0	0	110.5	Q643 N672 V673 V674	Q643-T670 HydrophobicContact CG-CG2 4.25Å; Q643-T670 PolarHBondContact OE1-OG1 2.89Å; Q643-T670 VanDerWaalsContact OE1-OG1 3.14Å; T670-N672 VanDerWaalsContact C-N 3.28Å; T670-N672 PolarHBondContact O-N 2.94Å; T670-V673 WeakPolarHBondContact O-CA 3.37Å; T670-V673 PolarHBondContact O-N 2.88Å; T670-V673 VanDerWaalsContact OG1-CG2 3.24Å; T670-V673 WeakPolarHBondContact OG1-CG2 3.46Å; T670-V674 PolarHBondContact O-N 2.83Å
671	Q	92.9	Very high	95.1	Very high	72 Å²	72	51 Å²	51	34%	0.336	25%	0.249	S	C	.	.	H	α-helix	trans	-49.6	-46.1	-178.4	-168.3	-167.1	34.9	0	0	112.7	V673 V674 T675 S701	Q671-V673 PolarHBondContact O-N 2.86Å; Q671-V674 PolarHBondContact O-N 3.48Å; Q671-T675 PolarHBondContact O-N 2.88Å; Q671-T675 PolarHBondContact O-OG1 3.08Å; Q671-S701 VanDerWaalsContact NE2-CB 3.34Å
672	N	92.3	Very high	95	Very high	129 Å²	129	51.2 Å²	51.2	69%	0.69	26%	0.258	S	S	*	.	H	α-helix	trans	-54.8	-36.8	176	-76.1	-50.7	0	0	0	113.8	T670 L676	T670-N672 VanDerWaalsContact C-N 3.28Å; T670-N672 PolarHBondContact O-N 2.94Å; N672-L676 PolarHBondContact O-N 2.96Å
673	V	94.5	Very high	94.9	Very high	29 Å²	29	62 Å²	62	18%	0.176	30%	0.299	C	S	.	.	H	α-helix	trans	-85.5	-34.3	-176.5	-179.6	0	0	0	0	110.5	Q643 M647 M669 T670 Q671 T675 L676 A677	Q643-V673 HydrophobicContact CB-CG2 4.1Å; Q643-V673 HydrophobicContact CG-CG2 4.36Å; M647-V673 HydrophobicContact CE-CG1 3.54Å; M647-V673 WeakPolarHBondContact CE-O 3.36Å; M669-V673 HydrophobicContact CB-CB 4.25Å; M669-V673 HydrophobicContact CB-CG1 4.26Å; M669-V673 HydrophobicContact CG-CB 4.45Å; M669-V673 HydrophobicContact CG-CG1 3.91Å; M669-V673 HydrophobicContact SD-CG1 3.77Å; T670-V673 WeakPolarHBondContact O-CA 3.37Å; T670-V673 PolarHBondContact O-N 2.88Å; T670-V673 VanDerWaalsContact OG1-CG2 3.24Å; T670-V673 WeakPolarHBondContact OG1-CG2 3.46Å; Q671-V673 PolarHBondContact O-N 2.86Å; V673-T675 VanDerWaalsContact C-N 3.32Å; V673-T675 PolarHBondContact O-N 3.08Å; V673-L676 CarbonylContact O-C 3.43Å; V673-L676 WeakPolarHBondContact O-CA 3.34Å; V673-L676 WeakPolarHBondContact O-CB 3.33Å; V673-L676 PolarHBondContact O-N 3.42Å; V673-A677 PolarHBondContact O-N 3.29Å
674	V	95.4	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-43.7	165.9	-177.7	0	0	0	0	110.6	A666 M669 T670 Q671 L676 A677 I678 L693 I696 A697 K700	A666-V674 HydrophobicContact CB-CG2 4.46Å; A666-V674 WeakPolarHBondContact O-CG2 3.36Å; M669-V674 HydrophobicContact CB-CG2 3.62Å; T670-V674 PolarHBondContact O-N 2.83Å; Q671-V674 PolarHBondContact O-N 3.48Å; V674-L676 PolarHBondContact O-N 3.35Å; V674-L676 VanDerWaalsContact O-N 3.17Å; V674-A677 CarbonylContact O-C 3.57Å; V674-A677 WeakPolarHBondContact O-CA 3.2Å; V674-A677 WeakPolarHBondContact O-CB 3.14Å; V674-A677 PolarHBondContact O-N 2.96Å; V674-I678 HydrophobicContact CG1-CD1 4.36Å; V674-I678 HydrophobicContact CG1-CG1 4.49Å; V674-I678 WeakPolarHBondContact O-CG1 3.44Å; V674-I678 PolarHBondContact O-N 2.9Å; V674-L693 WeakPolarHBondContact CG1-O 3.32Å; V674-I696 HydrophobicContact CG1-CG2 4.38Å; V674-I696 HydrophobicContact CG2-CG2 4.46Å; V674-A697 HydrophobicContact CG1-CB 3.99Å; V674-K700 HydrophobicContact CG2-CD 4.19Å
675	T	94.4	Very high	94.5	Very high	63 Å²	63	69.9 Å²	69.9	39%	0.387	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-23.6	174.5	-51.2	0	0	0	0	112.9	Q671 V673 R679	Q671-T675 PolarHBondContact O-N 2.88Å; Q671-T675 PolarHBondContact O-OG1 3.08Å; V673-T675 VanDerWaalsContact C-N 3.32Å; V673-T675 PolarHBondContact O-N 3.08Å; T675-R679 PolarHBondContact O-NE 3.32Å
676	L	94.8	Very high	94.3	Very high	83 Å²	83	71 Å²	71	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-82.4	-36.8	170.4	-162.9	144.4	0	0	0	111.9	M647 N672 V673 V674 R679 Y680	M647-L676 HydrophobicContact CE-CB 4.3Å; M647-L676 HydrophobicContact CE-CD2 3.72Å; M647-L676 HydrophobicContact CG-CD2 4.34Å; M647-L676 HydrophobicContact SD-CD2 3.78Å; N672-L676 PolarHBondContact O-N 2.96Å; V673-L676 CarbonylContact O-C 3.43Å; V673-L676 WeakPolarHBondContact O-CA 3.34Å; V673-L676 WeakPolarHBondContact O-CB 3.33Å; V673-L676 PolarHBondContact O-N 3.42Å; V674-L676 PolarHBondContact O-N 3.35Å; V674-L676 VanDerWaalsContact O-N 3.17Å; L676-R679 PolarHBondContact O-N 2.93Å; L676-Y680 PolarHBondContact O-N 2.87Å
677	A	95.8	Very high	94.1	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-43.4	173.9	0	0	0	0	0	112.6	M647 F650 M669 V673 V674 R679 Y680 A681 L693	M647-A677 HydrophobicContact CE-CB 4.03Å; F650-A677 HydrophobicContact CD1-CB 4.43Å; F650-A677 HydrophobicContact CD2-CB 4.37Å; F650-A677 HydrophobicContact CE1-CB 3.96Å; F650-A677 HydrophobicContact CE2-CB 3.86Å; F650-A677 HydrophobicContact CZ-CB 3.66Å; M669-A677 HydrophobicContact SD-CB 4.22Å; V673-A677 PolarHBondContact O-N 3.29Å; V674-A677 CarbonylContact O-C 3.57Å; V674-A677 WeakPolarHBondContact O-CA 3.2Å; V674-A677 WeakPolarHBondContact O-CB 3.14Å; V674-A677 PolarHBondContact O-N 2.96Å; A677-R679 VanDerWaalsContact C-N 3.33Å; A677-R679 PolarHBondContact O-N 3.12Å; A677-Y680 WeakPolarHBondContact O-CB 3.32Å; A677-Y680 PolarHBondContact O-N 2.97Å; A677-Y680 VanDerWaalsContact O-N 3.11Å; A677-A681 PolarHBondContact O-N 3.32Å; A677-L693 HydrophobicContact CB-CD1 4.26Å
678	I	95.8	Very high	94	Very high	30 Å²	30	76.6 Å²	76.6	15%	0.154	36%	0.364	C	S	.	.	H	α-helix	trans	-56.7	-46.7	173.6	-65.2	166.2	0	0	0	110.6	V674 Y680 A681 S682 L693 N694 A697	V674-I678 HydrophobicContact CG1-CD1 4.36Å; V674-I678 HydrophobicContact CG1-CG1 4.49Å; V674-I678 WeakPolarHBondContact O-CG1 3.44Å; V674-I678 PolarHBondContact O-N 2.9Å; I678-Y680 VanDerWaalsContact C-N 3.3Å; I678-Y680 PolarHBondContact O-N 3.17Å; I678-A681 PolarHBondContact O-N 3.3Å; I678-S682 WeakPolarHBondContact O-CB 3.32Å; I678-S682 PolarHBondContact O-N 2.93Å; I678-L693 HydrophobicContact CD1-CB 4.48Å; I678-L693 HydrophobicContact CG1-CB 3.56Å; I678-N694 HydrophobicContact CD1-CB 4.21Å; I678-A697 HydrophobicContact CD1-CB 3.93Å
679	R	94.9	Very high	94	Very high	154 Å²	154	73.4 Å²	73.4	58%	0.581	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-33.9	177.8	-73.4	178.5	-75.2	170.7	-3.1	112.1	T675 L676 A677 R683	T675-R679 PolarHBondContact O-NE 3.32Å; L676-R679 PolarHBondContact O-N 2.93Å; A677-R679 VanDerWaalsContact C-N 3.33Å; A677-R679 PolarHBondContact O-N 3.12Å; R679-R683 VanDerWaalsContact O-CB 3.25Å; R679-R683 WeakPolarHBondContact O-CB 3.36Å; R679-R683 PolarHBondContact O-N 3.43Å
680	Y	95.4	Very high	93.9	Very high	81 Å²	81	73.9 Å²	73.9	32%	0.318	35%	0.352	S	S	.	.	H	α-helix	trans	-69.8	-45.9	173.6	-171.3	-82.1	0	0	0	112.5	F650 A651 C654 L676 A677 I678 R683 S684	F650-Y680 HydrophobicContact CD1-CD1 4.4Å; F650-Y680 AromaticContact CE1-CD1 3.79Å; F650-Y680 HydrophobicContact CE1-CD1 3.79Å; F650-Y680 HydrophobicContact CE1-CG 4.27Å; A651-Y680 HydrophobicContact CB-CE1 4.46Å; A651-Y680 HydrophobicContact CB-CE2 4.35Å; C654-Y680 HydrophobicContact CB-CE1 3.92Å; L676-Y680 PolarHBondContact O-N 2.87Å; A677-Y680 WeakPolarHBondContact O-CB 3.32Å; A677-Y680 PolarHBondContact O-N 2.97Å; A677-Y680 VanDerWaalsContact O-N 3.11Å; I678-Y680 VanDerWaalsContact C-N 3.3Å; I678-Y680 PolarHBondContact O-N 3.17Å; Y680-R683 PolarHBondContact O-N 2.99Å; Y680-S684 WeakPolarHBondContact O-CB 3.34Å; Y680-S684 PolarHBondContact O-N 2.78Å; Y680-S684 PolarHBondContact O-OG 2.85Å
681	A	95	Very high	94	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61	-46	176.7	0	0	0	0	0	111.4	A677 I678 S684 R685 R686 L689 A690 L693	A677-A681 PolarHBondContact O-N 3.32Å; I678-A681 PolarHBondContact O-N 3.3Å; A681-S684 WeakPolarHBondContact CA-OG 3.34Å; A681-S684 CarbonylContact O-C 3.59Å; A681-S684 PolarHBondContact O-N 3.01Å; A681-S684 PolarHBondContact O-OG 3.42Å; A681-S684 VanDerWaalsContact O-OG 3.06Å; A681-R685 PolarHBondContact O-N 3.18Å; A681-R686 PolarHBondContact O-N 3.45Å; A681-L689 HydrophobicContact CB-CB 4.43Å; A681-L689 HydrophobicContact CB-CD2 4.13Å; A681-L689 HydrophobicContact CB-CG 4.02Å; A681-A690 HydrophobicContact CB-CB 3.91Å; A681-L693 HydrophobicContact CB-CD1 3.99Å
682	S	94.6	Very high	94	Very high	60 Å²	60	79.9 Å²	79.9	42%	0.42	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-48.7	174.2	179.9	0	0	0	0	112.1	I678 S684 R685 M687	I678-S682 WeakPolarHBondContact O-CB 3.32Å; I678-S682 PolarHBondContact O-N 2.93Å; S682-S684 VanDerWaalsContact C-N 3.27Å; S682-S684 PolarHBondContact O-N 2.67Å; S682-R685 WeakPolarHBondContact O-CA 3.22Å; S682-R685 PolarHBondContact O-N 2.79Å; S682-M687 WeakPolarHBondContact O-CE 3.4Å
683	R	94.1	Very high	94.2	Very high	228 Å²	228	73.7 Å²	73.7	86%	0.86	34%	0.336	S	S	*	.	H	α-helix	trans	-63.2	-30.1	177.9	-173.8	174.8	-179.3	126.8	0.5	113.5	R679 Y680 R685	R679-R683 VanDerWaalsContact O-CB 3.25Å; R679-R683 WeakPolarHBondContact O-CB 3.36Å; R679-R683 PolarHBondContact O-N 3.43Å; Y680-R683 PolarHBondContact O-N 2.99Å; R683-R685 VanDerWaalsContact C-N 3.26Å
684	S	90.6	Very high	94.2	Very high	49 Å²	49	76.2 Å²	76.2	34%	0.343	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	9.9	173.7	54.3	0	0	0	0	113.9	Y680 A681 S682 R686	Y680-S684 WeakPolarHBondContact O-CB 3.34Å; Y680-S684 PolarHBondContact O-N 2.78Å; Y680-S684 PolarHBondContact O-OG 2.85Å; A681-S684 WeakPolarHBondContact CA-OG 3.34Å; A681-S684 CarbonylContact O-C 3.59Å; A681-S684 PolarHBondContact O-N 3.01Å; A681-S684 PolarHBondContact O-OG 3.42Å; A681-S684 VanDerWaalsContact O-OG 3.06Å; S682-S684 VanDerWaalsContact C-N 3.27Å; S682-S684 PolarHBondContact O-N 2.67Å; S684-R686 VanDerWaalsContact C-N 3.3Å; S684-R686 PolarHBondContact O-N 2.59Å
685	R	92.3	Very high	94.1	Very high	225 Å²	225	78.7 Å²	78.7	85%	0.849	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	19.9	178.4	-57.8	-175	174.7	-169.4	-2.3	115.6	A681 S682 R683 M687	A681-R685 PolarHBondContact O-N 3.18Å; S682-R685 WeakPolarHBondContact O-CA 3.22Å; S682-R685 PolarHBondContact O-N 2.79Å; R683-R685 VanDerWaalsContact C-N 3.26Å; R685-M687 PolarHBondContact O-N 3.32Å
686	R	92.8	Very high	94.1	Very high	41 Å²	41	76.2 Å²	76.2	16%	0.155	34%	0.344	C	S	.	.			trans	-95.6	76.7	-177.7	-64.8	176.4	174.9	-153.7	7.4	110.8	C654 E657 E659 A681 S684 L689 A690	C654-R686 PolarHBondContact O-NH1 3.4Å; C654-R686 PolarHBondContact O-NH2 3.42Å; E657-R686 VanDerWaalsContact CG-NH2 3.33Å; E659-R686 WeakPolarHBondContact OE1-CB 3.44Å; E659-R686 WeakPolarHBondContact OE1-CD 3.24Å; E659-R686 WeakPolarHBondContact OE1-CG 3.41Å; E659-R686 IonicContact OE1-CZ 3.85Å; E659-R686 IonicContact OE1-NE 2.58Å; E659-R686 IonicContact OE1-NH1 3.92Å; A681-R686 PolarHBondContact O-N 3.45Å; S684-R686 VanDerWaalsContact C-N 3.3Å; S684-R686 PolarHBondContact O-N 2.59Å; R686-L689 HydrophobicContact CB-CB 4.04Å; R686-L689 HydrophobicContact CB-CD2 4.48Å; R686-L689 PolarHBondContact O-N 3.22Å; R686-A690 WeakPolarHBondContact O-CB 3.22Å; R686-A690 PolarHBondContact O-N 3.12Å
687	M	91.9	Very high	94	Very high	101 Å²	101	73 Å²	73	50%	0.498	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-40.3	-174.6	-60.6	-59.8	116.1	0	0	112.4	S682 R685 A690 Q691	S682-M687 WeakPolarHBondContact O-CE 3.4Å; R685-M687 PolarHBondContact O-N 3.32Å; M687-A690 PolarHBondContact O-N 3.24Å; M687-Q691 PolarHBondContact O-N 2.92Å
688	N	92.6	Very high	93.8	Very high	123 Å²	123	77.8 Å²	77.8	66%	0.658	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-46.8	178.7	-61.1	6.9	0	0	0	111.4	Q691 R692	N688-Q691 PolarHBondContact O-N 3.05Å; N688-R692 PolarHBondContact O-N 3.13Å; N688-R692 VanDerWaalsContact O-N 3.1Å
689	L	94.3	Very high	93.6	Very high	4 Å²	4	81.5 Å²	81.5	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-43.5	173.2	177	58.6	0	0	0	111.7	F650 E659 C662 V663 A681 R686 Q691 R692 L693	F650-L689 HydrophobicContact CZ-CD2 4.4Å; E659-L689 HydrophobicContact CB-CB 4.46Å; E659-L689 HydrophobicContact CB-CD2 4.45Å; E659-L689 HydrophobicContact CG-CD2 4.38Å; C662-L689 HydrophobicContact CB-CD1 3.71Å; C662-L689 HydrophobicContact CB-CD2 3.74Å; C662-L689 HydrophobicContact CB-CG 4.38Å; V663-L689 HydrophobicContact CG2-CD1 3.84Å; A681-L689 HydrophobicContact CB-CB 4.43Å; A681-L689 HydrophobicContact CB-CD2 4.13Å; A681-L689 HydrophobicContact CB-CG 4.02Å; R686-L689 HydrophobicContact CB-CB 4.04Å; R686-L689 HydrophobicContact CB-CD2 4.48Å; R686-L689 PolarHBondContact O-N 3.22Å; L689-Q691 VanDerWaalsContact C-N 3.28Å; L689-Q691 PolarHBondContact O-N 3.23Å; L689-R692 PolarHBondContact O-N 2.81Å; L689-L693 HydrophobicContact CD1-CD1 3.87Å; L689-L693 HydrophobicContact CD1-CD2 4.49Å; L689-L693 HydrophobicContact CD1-CG 3.96Å; L689-L693 HydrophobicContact CG-CD1 3.8Å; L689-L693 HydrophobicContact CG-CG 4.35Å; L689-L693 WeakPolarHBondContact O-CB 3.5Å; L689-L693 VanDerWaalsContact O-CG 3.23Å; L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 2.84Å
690	A	94.1	Very high	93.4	Very high	12 Å²	12	76.1 Å²	76.1	10%	0.099	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-34.9	177.5	0	0	0	0	0	112.6	A681 R686 M687 N694	A681-A690 HydrophobicContact CB-CB 3.91Å; R686-A690 WeakPolarHBondContact O-CB 3.22Å; R686-A690 PolarHBondContact O-N 3.12Å; M687-A690 PolarHBondContact O-N 3.24Å; A690-N694 WeakPolarHBondContact O-CB 3.32Å; A690-N694 PolarHBondContact O-N 2.76Å; A690-N694 VanDerWaalsContact O-N 3.15Å
691	Q	94.4	Very high	93	Very high	119 Å²	119	73.6 Å²	73.6	56%	0.556	35%	0.347	S	S	*	.	H	α-helix	trans	-66.1	-51.3	173.1	-171.1	-169.1	-43	0	0	111.5	M687 N688 L689 L693 N694 E695	M687-Q691 PolarHBondContact O-N 2.92Å; N688-Q691 PolarHBondContact O-N 3.05Å; L689-Q691 VanDerWaalsContact C-N 3.28Å; L689-Q691 PolarHBondContact O-N 3.23Å; Q691-L693 VanDerWaalsContact C-N 3.27Å; Q691-L693 PolarHBondContact O-N 2.94Å; Q691-N694 WeakPolarHBondContact O-CA 3.41Å; Q691-N694 WeakPolarHBondContact O-CB 3.04Å; Q691-N694 PolarHBondContact O-N 2.97Å; Q691-E695 WeakPolarHBondContact CG-OE1 3.34Å; Q691-E695 PolarHBondContact NE2-OE1 2.57Å; Q691-E695 PolarHBondContact O-N 3.27Å
692	R	94.8	Very high	92.8	Very high	146 Å²	146	76.6 Å²	76.6	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-59.9	-35.9	178.5	-67.9	-51	-160.1	167.2	5	113.1	V663 N688 L689 N694 E695 I696	V663-R692 HydrophobicContact CG2-CB 4.12Å; N688-R692 PolarHBondContact O-N 3.13Å; N688-R692 VanDerWaalsContact O-N 3.1Å; L689-R692 PolarHBondContact O-N 2.81Å; R692-N694 VanDerWaalsContact C-N 3.3Å; R692-N694 PolarHBondContact O-N 2.84Å; R692-E695 WeakPolarHBondContact CD-OE2 3.4Å; R692-E695 IonicContact CZ-OE2 2.69Å; R692-E695 IonicContact NE-OE2 3.49Å; R692-E695 IonicContact NH1-OE1 3.54Å; R692-E695 IonicContact NH1-OE2 2.65Å; R692-E695 PolarHBondContact NH1-OE2 3.37Å; R692-E695 WeakPolarHBondContact O-CB 3.32Å; R692-E695 PolarHBondContact O-N 2.85Å; R692-I696 PolarHBondContact O-N 2.87Å; R692-I696 VanDerWaalsContact O-N 3.13Å
693	L	95.1	Very high	92.3	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-70.3	-26.5	174	-66.7	168.9	0	0	0	112.9	F650 A666 V674 A677 I678 A681 L689 Q691 A697	F650-L693 HydrophobicContact CE2-CD1 3.71Å; F650-L693 HydrophobicContact CE2-CD2 4.07Å; F650-L693 HydrophobicContact CZ-CD1 3.61Å; A666-L693 HydrophobicContact CB-CD2 3.25Å; V674-L693 WeakPolarHBondContact CG1-O 3.32Å; A677-L693 HydrophobicContact CB-CD1 4.26Å; I678-L693 HydrophobicContact CD1-CB 4.48Å; I678-L693 HydrophobicContact CG1-CB 3.56Å; A681-L693 HydrophobicContact CB-CD1 3.99Å; L689-L693 HydrophobicContact CD1-CD1 3.87Å; L689-L693 HydrophobicContact CD1-CD2 4.49Å; L689-L693 HydrophobicContact CD1-CG 3.96Å; L689-L693 HydrophobicContact CG-CD1 3.8Å; L689-L693 HydrophobicContact CG-CG 4.35Å; L689-L693 WeakPolarHBondContact O-CB 3.5Å; L689-L693 VanDerWaalsContact O-CG 3.23Å; L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 2.84Å; Q691-L693 VanDerWaalsContact C-N 3.27Å; Q691-L693 PolarHBondContact O-N 2.94Å; L693-A697 WeakPolarHBondContact O-CB 3.49Å; L693-A697 PolarHBondContact O-N 3.24Å
694	N	94.8	Very high	91.7	Very high	82 Å²	82	71.4 Å²	71.4	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-77.3	-28.9	173.5	-160.9	97.6	0	0	0	112.1	I678 A690 Q691 R692 A697 L698	I678-N694 HydrophobicContact CD1-CB 4.21Å; A690-N694 WeakPolarHBondContact O-CB 3.32Å; A690-N694 PolarHBondContact O-N 2.76Å; A690-N694 VanDerWaalsContact O-N 3.15Å; Q691-N694 WeakPolarHBondContact O-CA 3.41Å; Q691-N694 WeakPolarHBondContact O-CB 3.04Å; Q691-N694 PolarHBondContact O-N 2.97Å; R692-N694 VanDerWaalsContact C-N 3.3Å; R692-N694 PolarHBondContact O-N 2.84Å; N694-A697 PolarHBondContact O-N 2.93Å; N694-L698 WeakPolarHBondContact O-CG 3.35Å; N694-L698 PolarHBondContact O-N 3.23Å
695	E	94.2	Very high	91	Very high	52 Å²	52	75.1 Å²	75.1	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-51	169.7	-66.7	159.9	-164.6	0	0	109.7	Q691 R692 A697 L698 E699	Q691-E695 WeakPolarHBondContact CG-OE1 3.34Å; Q691-E695 PolarHBondContact NE2-OE1 2.57Å; Q691-E695 PolarHBondContact O-N 3.27Å; R692-E695 WeakPolarHBondContact CD-OE2 3.4Å; R692-E695 IonicContact CZ-OE2 2.69Å; R692-E695 IonicContact NE-OE2 3.49Å; R692-E695 IonicContact NH1-OE1 3.54Å; R692-E695 IonicContact NH1-OE2 2.65Å; R692-E695 PolarHBondContact NH1-OE2 3.37Å; R692-E695 WeakPolarHBondContact O-CB 3.32Å; R692-E695 PolarHBondContact O-N 2.85Å; E695-A697 VanDerWaalsContact C-N 3.28Å; E695-A697 PolarHBondContact O-N 3.37Å; E695-L698 WeakPolarHBondContact O-CB 3.23Å; E695-L698 PolarHBondContact O-N 2.65Å; E695-E699 WeakPolarHBondContact O-CG 3.4Å; E695-E699 PolarHBondContact O-N 3.34Å
696	I	92.8	Very high	90.3	Very high	11 Å²	11	70.9 Å²	70.9	6%	0.056	35%	0.348	C	S	.	.	H	α-helix	trans	-58.4	-36.7	172.8	-72.5	172.5	0	0	0	112.9	V663 E667 V674 R692 L698 E699 K700	V663-I696 HydrophobicContact CG1-CD1 3.43Å; V663-I696 VanDerWaalsContact CG1-CD1 3.43Å; E667-I696 HydrophobicContact CG-CD1 3.84Å; V674-I696 HydrophobicContact CG1-CG2 4.38Å; V674-I696 HydrophobicContact CG2-CG2 4.46Å; R692-I696 PolarHBondContact O-N 2.87Å; R692-I696 VanDerWaalsContact O-N 3.13Å; I696-L698 VanDerWaalsContact C-N 3.26Å; I696-L698 PolarHBondContact O-N 3.04Å; I696-E699 PolarHBondContact O-N 2.72Å; I696-K700 HydrophobicContact CG2-CD 3.89Å; I696-K700 HydrophobicContact CG2-CG 4.36Å; I696-K700 WeakPolarHBondContact O-CB 3.34Å; I696-K700 WeakPolarHBondContact O-CG 3.21Å; I696-K700 PolarHBondContact O-N 3.06Å
697	A	93.3	Very high	88.9	Confident	14 Å²	14	75.4 Å²	75.4	12%	0.116	38%	0.375	C	S	.	.	H	α-helix	trans	-68	-26.8	177.9	0	0	0	0	0	113.1	V674 I678 L693 N694 E695 S701	V674-A697 HydrophobicContact CG1-CB 3.99Å; I678-A697 HydrophobicContact CD1-CB 3.93Å; L693-A697 WeakPolarHBondContact O-CB 3.49Å; L693-A697 PolarHBondContact O-N 3.24Å; N694-A697 PolarHBondContact O-N 2.93Å; E695-A697 VanDerWaalsContact C-N 3.28Å; E695-A697 PolarHBondContact O-N 3.37Å; A697-S701 WeakPolarHBondContact O-CB 3.36Å; A697-S701 PolarHBondContact O-N 2.88Å
698	L	92.5	Very high	87.2	Confident	102 Å²	102	78.3 Å²	78.3	53%	0.534	39%	0.387	S	S	.	.	H	α-helix	trans	-77.4	-47.6	172.1	-72	162.6	0	0	0	110.6	N694 E695 I696 K700 S701 T702	N694-L698 WeakPolarHBondContact O-CG 3.35Å; N694-L698 PolarHBondContact O-N 3.23Å; E695-L698 WeakPolarHBondContact O-CB 3.23Å; E695-L698 PolarHBondContact O-N 2.65Å; I696-L698 VanDerWaalsContact C-N 3.26Å; I696-L698 PolarHBondContact O-N 3.04Å; L698-K700 VanDerWaalsContact C-N 3.34Å; L698-K700 PolarHBondContact O-N 3.3Å; L698-S701 WeakPolarHBondContact CA-OG 3.45Å; L698-S701 CarbonylContact O-C 3.58Å; L698-S701 WeakPolarHBondContact O-CA 3.38Å; L698-S701 WeakPolarHBondContact O-CB 3.24Å; L698-S701 PolarHBondContact O-N 3.48Å; L698-S701 PolarHBondContact O-OG 3.21Å; L698-T702 PolarHBondContact O-N 3.22Å
699	E	90.7	Very high	84.8	Confident	107 Å²	107	80 Å²	80	50%	0.5	39%	0.391	S	S	.	.	H	α-helix	trans	-57.7	-43.3	177.3	-67.8	165	177.5	0	0	112.1	E695 I696 S701 T702 Q703	E695-E699 WeakPolarHBondContact O-CG 3.4Å; E695-E699 PolarHBondContact O-N 3.34Å; I696-E699 PolarHBondContact O-N 2.72Å; E699-S701 PolarHBondContact O-N 3.29Å; E699-T702 PolarHBondContact O-N 3.28Å; E699-T702 PolarHBondContact O-OG1 2.69Å; E699-Q703 VanDerWaalsContact O-CG 3.32Å; E699-Q703 WeakPolarHBondContact O-CG 3.19Å; E699-Q703 PolarHBondContact O-N 2.61Å
700	K	90.2	Very high	82.3	Confident	41 Å²	41	85.3 Å²	85.3	18%	0.178	43%	0.426	C	S	.	.	H	α-helix	trans	-69.3	-18.3	172.8	-74.6	176.2	175.5	-75.9	0	113.8	A666 E667 M669 V674 I696 L698 L704	A666-K700 WeakPolarHBondContact O-CE 3.34Å; E667-K700 VanDerWaalsContact O-CE 3.27Å; E667-K700 WeakPolarHBondContact O-CE 3.5Å; E667-K700 PolarHBondContact O-NZ 3.18Å; M669-K700 VanDerWaalsContact O-CE 3.24Å; M669-K700 WeakPolarHBondContact O-CE 3.21Å; M669-K700 PolarHBondContact O-NZ 3.14Å; V674-K700 HydrophobicContact CG2-CD 4.19Å; I696-K700 HydrophobicContact CG2-CD 3.89Å; I696-K700 HydrophobicContact CG2-CG 4.36Å; I696-K700 WeakPolarHBondContact O-CB 3.34Å; I696-K700 WeakPolarHBondContact O-CG 3.21Å; I696-K700 PolarHBondContact O-N 3.06Å; L698-K700 VanDerWaalsContact C-N 3.34Å; L698-K700 PolarHBondContact O-N 3.3Å; K700-L704 WeakPolarHBondContact O-CD1 3.33Å; K700-L704 VanDerWaalsContact O-CG 3.32Å; K700-L704 WeakPolarHBondContact O-CG 3.22Å
701	S	87.8	Confident	79.6	Confident	29 Å²	29	93.5 Å²	93.5	20%	0.203	46%	0.462	C	S	.	.	H	α-helix	trans	-86.5	-31.3	175.1	73.1	0	0	0	0	112.8	Q671 A697 L698 E699 Q705	Q671-S701 VanDerWaalsContact NE2-CB 3.34Å; A697-S701 WeakPolarHBondContact O-CB 3.36Å; A697-S701 PolarHBondContact O-N 2.88Å; L698-S701 WeakPolarHBondContact CA-OG 3.45Å; L698-S701 CarbonylContact O-C 3.58Å; L698-S701 WeakPolarHBondContact O-CA 3.38Å; L698-S701 WeakPolarHBondContact O-CB 3.24Å; L698-S701 PolarHBondContact O-N 3.48Å; L698-S701 PolarHBondContact O-OG 3.21Å; E699-S701 PolarHBondContact O-N 3.29Å; S701-Q705 WeakPolarHBondContact O-CG 3.41Å; S701-Q705 PolarHBondContact O-N 2.77Å
702	T	90.3	Very high	76.6	Confident	63 Å²	63	96.7 Å²	96.7	39%	0.387	48%	0.477	S	S	.	.	H	α-helix	trans	-73.8	-40.9	172.6	53.8	0	0	0	0	110.9	L698 E699 L704 Q705 E706	L698-T702 PolarHBondContact O-N 3.22Å; E699-T702 PolarHBondContact O-N 3.28Å; E699-T702 PolarHBondContact O-OG1 2.69Å; T702-L704 VanDerWaalsContact C-N 3.3Å; T702-L704 PolarHBondContact O-N 3.46Å; T702-Q705 WeakPolarHBondContact O-CA 3.47Å; T702-Q705 WeakPolarHBondContact O-CB 3.47Å; T702-Q705 PolarHBondContact O-N 3.35Å; T702-E706 WeakPolarHBondContact O-CG 3.49Å; T702-E706 PolarHBondContact O-N 3.09Å
703	Q	85.6	Confident	73.4	Confident	99 Å²	99	97.8 Å²	97.8	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-55	-44.2	172.9	-75.2	170.1	-11.2	0	0	112.4	E699 Q705 E706 D707	E699-Q703 VanDerWaalsContact O-CG 3.32Å; E699-Q703 WeakPolarHBondContact O-CG 3.19Å; E699-Q703 PolarHBondContact O-N 2.61Å; Q703-Q705 PolarHBondContact O-N 3.37Å; Q703-E706 PolarHBondContact O-N 3.36Å; Q703-D707 WeakPolarHBondContact O-CB 3.42Å; Q703-D707 PolarHBondContact O-N 2.87Å
704	L	80.8	Confident	70.5	Confident	79 Å²	79	103.2 Å²	103.2	41%	0.414	52%	0.524	S	S	.	.	H	α-helix	trans	-69.2	-19.2	176.4	-73	171.1	0	0	0	114	K700 T702 E708	K700-L704 WeakPolarHBondContact O-CD1 3.33Å; K700-L704 VanDerWaalsContact O-CG 3.32Å; K700-L704 WeakPolarHBondContact O-CG 3.22Å; T702-L704 VanDerWaalsContact C-N 3.3Å; T702-L704 PolarHBondContact O-N 3.46Å; L704-E708 WeakPolarHBondContact O-CB 3.24Å; L704-E708 VanDerWaalsContact O-CG 3.28Å; L704-E708 WeakPolarHBondContact O-CG 3.46Å; L704-E708 PolarHBondContact O-N 2.92Å
705	Q	76.4	Confident	67.3	Low	127 Å²	127	108.8 Å²	108.8	59%	0.593	55%	0.547	S	S	*	.	H	α-helix	trans	-85.3	-37	172.8	-72.3	176.3	-29.7	0	0	111.1	S701 T702 Q703 D707 E708 E709	S701-Q705 WeakPolarHBondContact O-CG 3.41Å; S701-Q705 PolarHBondContact O-N 2.77Å; T702-Q705 WeakPolarHBondContact O-CA 3.47Å; T702-Q705 WeakPolarHBondContact O-CB 3.47Å; T702-Q705 PolarHBondContact O-N 3.35Å; Q703-Q705 PolarHBondContact O-N 3.37Å; Q705-D707 VanDerWaalsContact C-N 3.33Å; Q705-E708 PolarHBondContact O-N 3.34Å; Q705-E709 PolarHBondContact O-N 3.41Å
706	E	76.3	Confident	64.2	Low	137 Å²	137	115.7 Å²	115.7	64%	0.64	58%	0.577	S	S	*	*	H	α-helix	trans	-65.2	-34.9	171.7	-68.1	162.5	175.2	0	0	111.5	T702 Q703	T702-E706 WeakPolarHBondContact O-CG 3.49Å; T702-E706 PolarHBondContact O-N 3.09Å; Q703-E706 PolarHBondContact O-N 3.36Å
707	D	64.8	Low	61	Low	136 Å²	136	120.4 Å²	120.4	73%	0.727	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-17.1	172.4	-73.7	-33.8	0	0	0	113.7	Q703 Q705	Q703-D707 WeakPolarHBondContact O-CB 3.42Å; Q703-D707 PolarHBondContact O-N 2.87Å; Q705-D707 VanDerWaalsContact C-N 3.33Å
708	E	56	Low	57.9	Low	162 Å²	162	124.9 Å²	124.9	76%	0.757	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-21.3	179.6	-84.2	-174.6	176.9	0	0	113.8	L704 Q705 P710	L704-E708 WeakPolarHBondContact O-CB 3.24Å; L704-E708 VanDerWaalsContact O-CG 3.28Å; L704-E708 WeakPolarHBondContact O-CG 3.46Å; L704-E708 PolarHBondContact O-N 2.92Å; Q705-E708 PolarHBondContact O-N 3.34Å; E708-P710 WeakPolarHBondContact O-CD 3.25Å
709	E	40.8	Very low	54.7	Low	159 Å²	159	127 Å²	127	74%	0.743	65%	0.653	S	S	*	*	S	Bend	trans	-80.3	114.5	166.1	-72	-165.1	169.8	0	0	109.7	Q705 E711	Q705-E709 PolarHBondContact O-N 3.41Å; E709-E711 PolarHBondContact O-N 2.91Å
710	P	42.8	Very low	51.8	Low	114 Å²	114	132.3 Å²	132.3	74%	0.74	67%	0.668	S	S	*	*			trans	-68.4	125.7	174.6	28.6	-33	0	0	0	109.5	E708 E712	E708-P710 WeakPolarHBondContact O-CD 3.25Å; P710-E712 PolarHBondContact O-N 3.13Å
711	E	37.5	Very low	48.7	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	70%	0.699	S	S	*	*			trans	-58.4	108.8	165.9	-73.1	-168.6	127.8	0	0	108.9	E709 E713	E709-E711 PolarHBondContact O-N 2.91Å; E711-E713 PolarHBondContact O-N 3.31Å
712	E	32.1	Very low	45.7	Very low	186 Å²	186	145.9 Å²	145.9	87%	0.869	73%	0.729	S	S	*	*			trans	-68.2	82.2	164.3	-69.8	-168.8	152.3	0	0	108.3	P710 P714	P710-E712 PolarHBondContact O-N 3.13Å; E712-P714 VanDerWaalsContact O-CD 3.29Å; E712-P714 WeakPolarHBondContact O-CD 3.19Å; E712-P714 VanDerWaalsContact O-N 3.15Å
713	E	27.5	Very low	42.6	Very low	170 Å²	170	149.3 Å²	149.3	79%	0.794	76%	0.756	S	S	*	*			trans	-54	119.2	168.9	-84.9	-159.8	152.4	0	0	108.6	E711 E715	E711-E713 PolarHBondContact O-N 3.31Å; E713-E715 PolarHBondContact O-N 3.02Å
714	P	32.6	Very low	39.7	Very low	114 Å²	114	147.5 Å²	147.5	74%	0.74	76%	0.764	S	S	*	*			trans	-68.8	117.7	173.8	27.5	-32.4	0	0	0	108.8	E712 F716	E712-P714 VanDerWaalsContact O-CD 3.29Å; E712-P714 WeakPolarHBondContact O-CD 3.19Å; E712-P714 VanDerWaalsContact O-N 3.15Å; P714-F716 PolarHBondContact O-N 3.17Å
715	E	28.8	Very low	37.1	Very low	199 Å²	199	153.8 Å²	153.8	93%	0.93	78%	0.783	S	S	*	*			trans	-55.7	103	-178.2	-72.9	-165	125.8	0	0	111.9	E713	E713-E715 PolarHBondContact O-N 3.02Å
716	F	28.5	Very low	34.5	Very low	197 Å²	197	160 Å²	160	86%	0.864	80%	0.801	S	S	*	*			trans	-105.4	122.1	163.1	-120.3	-87.7	0	0	0	110	P714 S718	P714-F716 PolarHBondContact O-N 3.17Å; F716-S718 PolarHBondContact O-N 3.48Å
717	S	26.5	Very low	32.1	Very low	109 Å²	109	160.7 Å²	160.7	76%	0.762	81%	0.805	S	S	*	*			trans	-59.4	115.6	-164.8	58.1	0	0	0	0	113.6	D719	S717-D719 PolarHBondContact O-N 3.42Å
718	S	26.5	Very low	30.1	Very low	109 Å²	109	160.1 Å²	160.1	76%	0.762	81%	0.806	S	S	*	*			trans	-84.5	69.6	-179.3	58.6	0	0	0	0	113.4	F716 R720	F716-S718 PolarHBondContact O-N 3.48Å; S718-R720 PolarHBondContact O-N 3.45Å
719	D	25.6	Very low	28.6	Very low	146 Å²	146	160 Å²	160	78%	0.781	81%	0.806	S	S	*	*			trans	-70.7	90	175.2	-158.8	-10.3	0	0	0	111.6	S717 R721	S717-D719 PolarHBondContact O-N 3.42Å; D719-R721 PolarHBondContact O-N 3.37Å
720	R	30.9	Very low	27.9	Very low	218 Å²	218	157.6 Å²	157.6	82%	0.823	80%	0.804	S	S	*	*			trans	-76.8	101	-175.8	-83.9	-178.6	157.8	-149.4	-3.6	112.1	S718	S718-R720 PolarHBondContact O-N 3.45Å
721	R	24.9	Very low	27	Very low	217 Å²	217	161.4 Å²	161.4	82%	0.819	81%	0.805	S	S	*	*			trans	-129.4	101.3	157.8	-69	-163.5	179	-155.7	-0.6	114.6	D719	D719-R721 PolarHBondContact O-N 3.37Å
722	T	24.9	Very low	26.3	Very low	138 Å²	138	160.6 Å²	160.6	85%	0.847	81%	0.806	S	S	*	*			trans	38.6	102.1	139.4	52.8	0	0	0	0	118.7
723	S	24	Very low	26.1	Very low	136 Å²	136	156.3 Å²	156.3	95%	0.951	79%	0.793	S	S	*	*			trans	-100.1	101.5	148	-179.4	0	0	0	0	109.3
724	G	25.7	Very low	26.1	Very low	60 Å²	60	158.4 Å²	158.4	62%	0.619	79%	0.793	S	S	*	*			trans	-133.1	156.6	166.7	0	0	0	0	0	108.8
725	Y	26.8	Very low	25.8	Very low	212 Å²	212	159.6 Å²	159.6	83%	0.831	79%	0.789	S	S	*	*			trans	66.3	121.1	-178.6	-89.2	-98.9	0	0	0	117.7
726	R	21.5	Very low	25.7	Very low	256 Å²	256	156 Å²	156	97%	0.966	78%	0.776	S	S	*	*			trans	-91.5	95.7	158.1	-174.8	-172.3	-163.1	-177.4	7	107.7
727	Q	25.1	Very low	25.6	Very low	152 Å²	152	153.1 Å²	153.1	71%	0.71	77%	0.77	S	S	*	*			trans	-124.9	115.4	173	-134.8	174.7	9.6	0	0	110.7
728	T	24	Very low	25.7	Very low	124 Å²	124	155 Å²	155	76%	0.761	77%	0.767	S	S	*	*			trans	16	105.9	156.7	51.6	0	0	0	0	118.7
729	E	23	Very low	25.7	Very low	160 Å²	160	155.9 Å²	155.9	75%	0.748	76%	0.759	S	S	*	*			trans	-33.1	141.6	138.8	-87.8	-78.6	154.1	0	0	112	Y731	E729-Y731 PolarHBondContact OE2-N 3.28Å
730	P	27.2	Very low	25.7	Very low	108 Å²	108	156.3 Å²	156.3	70%	0.701	76%	0.756	S	S	*	*				-142.5	127.8	92.9	35.3	-20.2	0	0	0	116.4
731	Y	23.2	Very low	25.5	Very low	195 Å²	195	153 Å²	153	77%	0.765	75%	0.75	S	S	*	*			trans	58	116.5	142.3	-77.2	-99.9	0	0	0	117.9	E729	E729-Y731 PolarHBondContact OE2-N 3.28Å
732	N	24.1	Very low	25.6	Very low	167 Å²	167	150.9 Å²	150.9	89%	0.893	75%	0.75	S	S	*	*			trans	-125.3	139.5	144.8	-149.1	-6.2	0	0	0	110
733	T	26.2	Very low	25.7	Very low	95 Å²	95	151.5 Å²	151.5	58%	0.583	75%	0.747	S	S	*	*			trans	-129.1	121.8	-172.9	-63.9	0	0	0	0	109.7
734	R	28	Very low	25.8	Very low	214 Å²	214	153.5 Å²	153.5	81%	0.808	74%	0.742	S	S	*	*			trans	32.8	140.9	147.5	-61.5	177.6	168	-154.6	-1.3	119.4
735	Q	26.8	Very low	25.8	Very low	139 Å²	139	159.4 Å²	159.4	65%	0.65	75%	0.753	S	S	*	*			cis	-161.9	-178.6	-0.5	-121.6	170	-79.2	0	0	108.7
736	N	27.1	Very low	25.8	Very low	123 Å²	123	158.7 Å²	158.7	66%	0.658	76%	0.758	S	S	*	*			trans	-23.8	155.4	158.8	-42.6	7.2	0	0	0	115.6
737	D	26.1	Very low	25.9	Very low	138 Å²	138	151.7 Å²	151.7	74%	0.738	75%	0.746	S	S	*	*				-150.5	140.7	100.9	-91.1	-24.8	0	0	0	111.2
738	E	27.5	Very low	25.8	Very low	148 Å²	148	153.1 Å²	153.1	69%	0.692	75%	0.753	S	S	*	*			trans	53.6	147.5	131.4	-57.7	-162.7	133.3	0	0	121.2
739	Q	27.1	Very low	26	Very low	127 Å²	127	155.5 Å²	155.5	59%	0.593	76%	0.756	S	S	*	*			cis	-165.4	153.5	0.4	-118.6	166.8	21.9	0	0	108.6
740	Q	26.7	Very low	26.2	Very low	155 Å²	155	156.4 Å²	156.4	72%	0.724	76%	0.76	S	S	*	*			trans	59.7	165	147.3	-69.5	-168.2	-70.7	0	0	120.4
741	E	26.4	Very low	26.2	Very low	148 Å²	148	159.6 Å²	159.6	69%	0.692	77%	0.766	S	S	*	*			cis	-167.9	167.4	-43.5	-140.4	157.3	-167.3	0	0	106.6
742	E	26.6	Very low	26.3	Very low	174 Å²	174	157.8 Å²	157.8	81%	0.813	77%	0.769	S	S	*	*			trans	65.7	161.6	175.2	-55.8	172.3	176.7	0	0	116.4
743	D	25.8	Very low	26.5	Very low	150 Å²	150	152.9 Å²	152.9	80%	0.802	76%	0.758	S	S	*	*				-168.2	-173.3	-61.9	-106.7	-41.1	0	0	0	108
744	E	26.5	Very low	26.5	Very low	179 Å²	179	157.9 Å²	157.9	84%	0.836	77%	0.766	S	S	*	*			trans	70.8	108	174.4	-54.4	-176.5	166	0	0	114.8
745	E	26.7	Very low	26.4	Very low	184 Å²	184	154.1 Å²	154.1	86%	0.86	76%	0.758	S	S	*	*				70.9	104.2	70.9	-69.8	-164.5	166.5	0	0	115
746	E	26.2	Very low	26.5	Very low	197 Å²	197	153.7 Å²	153.7	92%	0.921	76%	0.757	S	S	*	*				-178.8	-172.3	107.7	-98.9	-161.7	147	0	0	112
747	C	22.6	Very low	26.4	Very low	108 Å²	108	155.2 Å²	155.2	73%	0.73	76%	0.761	S	S	*	*			trans	-112	154.2	-157.1	-68.3	0	0	0	0	116.4
748	E	24.4	Very low	26.4	Very low	182 Å²	182	153.7 Å²	153.7	85%	0.85	76%	0.756	S	S	*	*			trans	69.2	173.6	140	-73.6	173.5	178.7	0	0	121.8
749	E	27.7	Very low	26.4	Very low	175 Å²	175	154.6 Å²	154.6	82%	0.818	76%	0.76	S	S	*	*			trans	75.4	87.8	170.9	-56	-162.2	166.1	0	0	121.3
750	E	26.3	Very low	26.3	Very low	178 Å²	178	154.4 Å²	154.4	83%	0.832	76%	0.76	S	S	*	*				68.8	150.6	116.5	-68.7	-163.5	159.2	0	0	125.8
751	E	28.1	Very low	26.2	Very low	176 Å²	176	151 Å²	151	82%	0.822	75%	0.75	S	S	*	*			trans	50.8	108	159.1	-66.4	-155	139.4	0	0	124.6
752	D	26	Very low	26.3	Very low	157 Å²	157	150.5 Å²	150.5	84%	0.84	75%	0.745	S	S	*	*				73.9	166.7	126.9	-157	19.4	0	0	0	119.3
753	G	28	Very low	26.4	Very low	64 Å²	64	152.3 Å²	152.3	66%	0.66	74%	0.744	S	S	*	*			trans	113.3	53.5	171.5	0	0	0	0	0	117.3
754	R	26.8	Very low	26.3	Very low	199 Å²	199	149.9 Å²	149.9	75%	0.751	74%	0.738	S	S	*	*			trans	7.5	144.2	144.3	-72	170.5	171.8	-124.9	9.9	120.7
755	E	25.7	Very low	26.3	Very low	135 Å²	135	147.6 Å²	147.6	63%	0.631	73%	0.731	S	S	*	*			trans	68.9	141.1	144.8	-66	164.6	-131.5	0	0	116.1
756	M	27.2	Very low	26.2	Very low	131 Å²	131	145.4 Å²	145.4	65%	0.645	73%	0.725	S	S	*	*			cis	-156.6	178.1	-6.2	-134.7	-175.4	-85.5	0	0	109.5
757	E	26.7	Very low	27.2	Very low	155 Å²	155	140.7 Å²	140.7	72%	0.724	71%	0.712	S	S	*	*			trans	17.7	142.2	142.7	-71.2	176	-167.3	0	0	120.6
758	T	26.3	Very low	27.4	Very low	105 Å²	105	145.1 Å²	145.1	64%	0.644	72%	0.719	S	S	*	*			cis	-163.4	169.9	24.2	-3.6	0	0	0	0	113.2
759	E	26.5	Very low	27.5	Very low	167 Å²	167	140.8 Å²	140.8	78%	0.78	71%	0.714	S	S	*	*			trans	12.1	157.5	131.3	-72.3	179.1	164.8	0	0	122.1
760	E	26	Very low	27.6	Very low	124 Å²	124	140.3 Å²	140.3	58%	0.579	71%	0.709	S	S	*	*			cis	-154.6	130.4	7.1	-123.8	-134	141.1	0	0	111.6	K762	E760-K762 IonicContact OE1-NZ 3.65Å; E760-K762 PolarHBondContact OE1-NZ 3.17Å; E760-K762 IonicContact OE2-NZ 2.69Å; E760-K762 PolarHBondContact OE2-NZ 2.67Å
761	T	24.3	Very low	27.5	Very low	84 Å²	84	139 Å²	139	52%	0.515	70%	0.703	S	S	.	*			trans	42.3	156.9	130.5	73.8	0	0	0	0	125.9
762	K	28.9	Very low	27.4	Very low	137 Å²	137	136 Å²	136	60%	0.596	70%	0.702	S	S	*	*			trans	74.5	148.8	150.6	-65.8	147.4	-147.4	146	0	115.6	E760	E760-K762 IonicContact OE1-NZ 3.65Å; E760-K762 PolarHBondContact OE1-NZ 3.17Å; E760-K762 IonicContact OE2-NZ 2.69Å; E760-K762 PolarHBondContact OE2-NZ 2.67Å
763	R	27.6	Very low	27.3	Very low	211 Å²	211	132.3 Å²	132.3	80%	0.796	70%	0.7	S	S	*	*			cis	-165.8	158	4.2	-125.5	171.7	-173.9	168.6	0.6	112.6
764	C	23.8	Very low	27.2	Very low	99 Å²	99	137.5 Å²	137.5	67%	0.669	71%	0.712	S	S	*	*			trans	67.8	158	146.9	-65.6	0	0	0	0	119.8
765	L	27	Very low	28.1	Very low	131 Å²	131	133.6 Å²	133.6	69%	0.686	71%	0.713	S	S	*	*			cis	-169.7	141.8	-23.9	-105.4	171.6	0	0	0	109.1
766	N	24.7	Very low	28	Very low	138 Å²	138	131.4 Å²	131.4	74%	0.738	72%	0.717	S	S	*	*			trans	66	173.5	147.3	-73.7	0.5	0	0	0	119.5
767	P	46.9	Very low	27.7	Very low	99 Å²	99	134.7 Å²	134.7	64%	0.643	73%	0.728	S	S	*	*			cis	-145.2	178.2	-41.6	40	-23.6	0	0	0	117.5
768	F	25.6	Very low	28.3	Very low	201 Å²	201	132.2 Å²	132.2	88%	0.882	73%	0.726	S	S	*	*			trans	93	137.2	141	-96.1	-65.9	0	0	0	124.5
769	A	27.9	Very low	28.2	Very low	90 Å²	90	132 Å²	132	74%	0.744	73%	0.728	S	S	*	*			trans	78.8	151.9	147.2	0	0	0	0	0	121.2
770	K	28.7	Very low	28.1	Very low	165 Å²	165	131.6 Å²	131.6	72%	0.717	73%	0.731	S	S	*	*			cis	-175.5	144.2	-29.9	-158.6	-171.2	-173.7	-140.2	0	110.1
771	E	25.6	Very low	27.9	Very low	150 Å²	150	131.4 Å²	131.4	70%	0.701	74%	0.738	S	S	*	*			trans	60.4	166.6	166	-77.4	152.8	-148.6	0	0	117.5
772	S	25.7	Very low	28.7	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	75%	0.747	S	S	*	*			cis	-165.9	155.1	-37.7	62.8	0	0	0	0	109.9
773	G	24.4	Very low	28.6	Very low	78 Å²	78	132.7 Å²	132.7	80%	0.804	76%	0.759	S	S	*	*			trans	145.3	151.7	165.5	0	0	0	0	0	119.1
774	L	26	Very low	28.6	Very low	174 Å²	174	125.5 Å²	125.5	91%	0.911	75%	0.75	S	S	*	*			trans	-132.7	-179.5	171.7	-71.1	168.5	0	0	0	107.6
775	P	45.1	Very low	28.8	Very low	117 Å²	117	132.5 Å²	132.5	76%	0.76	76%	0.763	S	S	*	*			cis	-139.5	-176.2	1.5	42.8	-24.1	0	0	0	117.2
776	A	23.8	Very low	28.9	Very low	88 Å²	88	132.9 Å²	132.9	73%	0.727	77%	0.77	S	S	*	*			trans	79.8	118.4	143.4	0	0	0	0	0	124.3
777	K	21.3	Very low	29	Very low	201 Å²	201	129.6 Å²	129.6	87%	0.874	77%	0.768	S	S	*	*				30.7	159	117.9	-81.6	-177.4	179.9	179.8	0	121.7
778	P	38.5	Very low	28.3	Very low	103 Å²	103	136.4 Å²	136.4	67%	0.669	78%	0.781	S	S	*	*			cis	-141.8	-166.4	-7.1	36.1	-13.2	0	0	0	116.1
779	S	23.3	Very low	28.7	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	78%	0.777	S	S	*	*			trans	69.2	156.8	149.3	52	0	0	0	0	120
780	L	24.7	Very low	29.2	Very low	158 Å²	158	135.6 Å²	135.6	83%	0.827	78%	0.783	S	S	*	*			cis	-156.2	-176.6	-10.1	-115.2	167.1	0	0	0	111.2
781	T	23	Very low	29.7	Very low	120 Å²	120	131.8 Å²	131.8	74%	0.736	78%	0.775	S	S	*	*			trans	-84.8	-167.5	-179.4	59.2	0	0	0	0	112.7
782	P	41.3	Very low	29.8	Very low	107 Å²	107	133.9 Å²	133.9	70%	0.695	78%	0.782	S	S	*	*			cis	-146.2	-165.5	3.5	31	-2.9	0	0	0	118.1
783	V	26	Very low	30.1	Very low	142 Å²	142	136.9 Å²	136.9	86%	0.861	78%	0.78	S	S	*	*			trans	78.5	143.2	159.5	-162.2	0	0	0	0	118.8
784	G	26.5	Very low	30.4	Very low	59 Å²	59	139 Å²	139	61%	0.608	78%	0.778	S	S	*	*			cis	149.5	130.8	-18.8	0	0	0	0	0	118.7
785	R	28.7	Very low	30.6	Very low	247 Å²	247	135 Å²	135	93%	0.932	77%	0.769	S	S	*	*			trans	69.4	164.3	170.1	-45.1	-175.9	176	-156.3	-2.1	115.7
786	V	28.5	Very low	29.7	Very low	139 Å²	139	137 Å²	137	84%	0.842	77%	0.773	S	S	*	*			cis	-147.6	157	13	-174.6	0	0	0	0	107.8
787	G	28.1	Very low	29.9	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	77%	0.774	S	S	*	*			cis	137.7	102.7	-5.6	0	0	0	0	0	115.1
788	R	32.8	Very low	30.1	Very low	242 Å²	242	131.9 Å²	131.9	91%	0.913	77%	0.769	S	S	*	*			trans	-146	111.7	169.4	-75.1	-178.8	178.2	175	-0.3	109
789	S	32.3	Very low	29.7	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	78%	0.78	S	S	*	*				90	100.2	55.5	72.2	0	0	0	0	114
790	N	38.9	Very low	30.3	Very low	163 Å²	163	137 Å²	137	87%	0.872	78%	0.779	S	S	*	*			trans	-106.7	126.6	173.9	-173.8	12.3	0	0	0	110.3
791	P	39.4	Very low	30.2	Very low	84 Å²	84	135 Å²	135	55%	0.545	77%	0.774	S	S	.	*			trans	-109.1	148.9	-170.3	39.5	-33.4	0	0	0	115.8
792	F	28.3	Very low	30.3	Very low	195 Å²	195	134.6 Å²	134.6	86%	0.855	78%	0.776	S	S	*	*			trans	70.8	155.8	169.4	-48.4	-68.2	0	0	0	117
793	K	31.4	Very low	29.6	Very low	178 Å²	178	134.7 Å²	134.7	77%	0.774	78%	0.779	S	S	*	*			cis	-171.1	160.1	-42.4	-131.8	-171.9	173.5	-167.3	0	106
794	V	31.2	Very low	29.7	Very low	123 Å²	123	133.8 Å²	133.8	75%	0.745	78%	0.779	S	S	*	*			cis	-142.8	172	9.3	-150	0	0	0	0	108.9
795	A	29.2	Very low	29.8	Very low	88 Å²	88	134 Å²	134	73%	0.727	78%	0.782	S	S	*	*			trans	-129.6	139.2	157.3	0	0	0	0	0	109.8
796	D	26.4	Very low	29.7	Very low	159 Å²	159	131.8 Å²	131.8	85%	0.85	78%	0.782	S	S	*	*			trans	-176.9	165.5	130	-133.9	-38	0	0	0	114.3
797	S	28.3	Very low	29.7	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	77%	0.77	S	S	*	*			trans	75.2	129.4	150.3	74.5	0	0	0	0	122.2
798	G	26	Very low	29.7	Very low	75 Å²	75	136.8 Å²	136.8	77%	0.773	78%	0.78	S	S	*	*				93.8	105.6	107.5	0	0	0	0	0	120.6
799	K	28.8	Very low	29.8	Very low	205 Å²	205	131.7 Å²	131.7	89%	0.891	78%	0.775	S	S	*	*			trans	-59.1	158.1	139.4	-84.9	-179.9	179.4	176.7	0	109.2
800	P	36.9	Very low	29.7	Very low	105 Å²	105	130.4 Å²	130.4	68%	0.682	77%	0.767	S	S	*	*			cis	-154.8	-162.9	47.1	43.6	-20.8	0	0	0	117.1
801	T	22.1	Very low	29.2	Very low	116 Å²	116	130.7 Å²	130.7	71%	0.712	77%	0.768	S	S	*	*			trans	49.7	110	157.7	52.7	0	0	0	0	119
802	S	25.2	Very low	28.8	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	78%	0.776	S	S	*	*				73.3	99.4	58.2	80.9	0	0	0	0	115.9
803	S	26.8	Very low	28.9	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	77%	0.77	S	S	*	*			trans	-154.4	118.8	155	60.4	0	0	0	0	112.1
804	S	28.1	Very low	28.7	Very low	122 Å²	122	130 Å²	130	85%	0.853	78%	0.775	S	S	*	*			trans	20.6	135.9	144.2	57	0	0	0	0	121.2
805	G	27.6	Very low	28.6	Very low	65 Å²	65	129.8 Å²	129.8	67%	0.67	77%	0.77	S	S	*	*			cis	142.9	173.5	-4.3	0	0	0	0	0	114.1
806	Q	27	Very low	28.6	Very low	200 Å²	200	133.9 Å²	133.9	94%	0.935	78%	0.776	S	S	*	*			trans	71	146.3	177.3	-54.1	-171.1	4.3	0	0	115.1
807	A	29.2	Very low	28.7	Very low	71 Å²	71	138.3 Å²	138.3	59%	0.587	78%	0.78	S	S	*	*			cis	-156.5	144.7	-0.8	0	0	0	0	0	113.7
808	R	28.8	Very low	28.7	Very low	240 Å²	240	139 Å²	139	91%	0.906	79%	0.786	S	S	*	*			trans	67.6	154.2	157.6	-57	164	-175.9	170.2	1	114.1
809	V	33.5	Very low	28.8	Very low	135 Å²	135	141.1 Å²	141.1	82%	0.818	79%	0.789	S	S	*	*			cis	-128.8	168	21.5	173.9	0	0	0	0	111.3
810	S	30.8	Very low	28.8	Very low	86 Å²	86	142.9 Å²	142.9	60%	0.601	79%	0.789	S	S	*	*			trans	-70.5	147.5	-174.1	50.8	0	0	0	0	116.9
811	N	29.3	Very low	28.3	Very low	168 Å²	168	148.2 Å²	148.2	90%	0.898	80%	0.802	S	S	*	*			trans	-59.1	144.7	158.5	-67.6	-25.5	0	0	0	111.3
812	I	31	Very low	28.5	Very low	139 Å²	139	150.7 Å²	150.7	71%	0.713	81%	0.81	S	S	*	*			trans	-142.6	136.5	-177.6	-79.8	-179	0	0	0	109.4
813	L	30.2	Very low	28.6	Very low	142 Å²	142	149.5 Å²	149.5	74%	0.743	81%	0.807	S	S	*	*			trans	65.4	88.1	-178.8	-56.3	169.2	0	0	0	114	N815	L813-N815 HydrophobicContact CD2-CB 3.73Å
814	D	26.8	Very low	29.3	Very low	161 Å²	161	149.3 Å²	149.3	86%	0.861	80%	0.803	S	S	*	*				-63.7	134.4	81.1	-167.5	13.5	0	0	0	116.7
815	N	28.6	Very low	29.4	Very low	120 Å²	120	151.1 Å²	151.1	64%	0.642	80%	0.802	S	S	*	*			trans	-166.3	150.2	159.2	-129.5	-41.5	0	0	0	114	L813	L813-N815 HydrophobicContact CD2-CB 3.73Å
816	M	29.9	Very low	29.3	Very low	174 Å²	174	153.2 Å²	153.2	86%	0.857	81%	0.807	S	S	*	*			trans	66.3	72.7	159.4	-63	-97.3	-83.4	0	0	117.8
817	R	27.8	Very low	29.3	Very low	251 Å²	251	147.3 Å²	147.3	95%	0.947	80%	0.8	S	S	*	*			trans	-107.8	144.3	143	-85	-170.3	173.4	-166.9	0.5	111.1
818	S	28.9	Very low	29.2	Very low	123 Å²	123	149.7 Å²	149.7	86%	0.86	81%	0.812	S	S	*	*			trans	71.6	110.4	170.5	-159.9	0	0	0	0	118.8
819	S	28	Very low	29.1	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	81%	0.81	S	S	*	*			trans	-150	107.1	134.1	57	0	0	0	0	111.1
820	R	29.2	Very low	28.8	Very low	241 Å²	241	140.7 Å²	140.7	91%	0.909	81%	0.811	S	S	*	*			trans	-142.4	108.3	159.7	-83.1	-165.2	176.8	-167.9	-0.1	109.2
821	K	25.3	Very low	28.7	Very low	217 Å²	217	146.5 Å²	146.5	94%	0.943	83%	0.825	S	S	*	*			trans	-76.7	157.9	157.3	-82.9	-173.2	172.8	-177.8	0	109.4
822	L	26.2	Very low	29.4	Very low	169 Å²	169	144.2 Å²	144.2	89%	0.885	82%	0.82	S	S	*	*			trans	-124.1	177.9	179.6	-97	168.6	0	0	0	110.4
823	A	28.3	Very low	29.3	Very low	87 Å²	87	143.6 Å²	143.6	72%	0.719	83%	0.828	S	S	*	*			trans	87.4	157.5	163.5	0	0	0	0	0	117.3
824	P	41.2	Very low	29.3	Very low	105 Å²	105	146.8 Å²	146.8	68%	0.682	84%	0.836	S	S	*	*			cis	-144.6	-175	-49.9	41.8	-27	0	0	0	114.6
825	L	28.8	Very low	29.4	Very low	160 Å²	160	142.6 Å²	142.6	84%	0.838	83%	0.831	S	S	*	*			trans	68.9	158.2	160.5	-59.4	170.4	0	0	0	117.6
826	S	26.6	Very low	29.7	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	84%	0.841	S	S	*	*			cis	-173.8	147.2	-33	56.8	0	0	0	0	110.4
827	G	26	Very low	29.6	Very low	77 Å²	77	141.1 Å²	141.1	79%	0.794	84%	0.838	S	S	*	*			trans	136	120.7	149.5	0	0	0	0	0	120.7
828	S	27.2	Very low	29.6	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	84%	0.835	S	S	*	*			trans	68.1	108.5	135	-146.4	0	0	0	0	123.9
829	A	28.5	Very low	29.5	Very low	105 Å²	105	140.3 Å²	140.3	87%	0.868	83%	0.833	S	S	*	*				51.6	140	128	0	0	0	0	0	123.9
830	G	26.9	Very low	30.2	Very low	81 Å²	81	140.1 Å²	140.1	84%	0.835	83%	0.829	S	S	*	*			trans	153.1	124	157.8	0	0	0	0	0	116.6
831	K	27.9	Very low	30	Very low	207 Å²	207	136.9 Å²	136.9	90%	0.9	83%	0.829	S	S	*	*			trans	-113.6	178.2	167.1	-72.6	-179.3	-179.6	174.9	0	108.5
832	P	45.2	Very low	30.1	Very low	120 Å²	120	130.4 Å²	130.4	78%	0.779	82%	0.816	S	S	*	*			cis	-133.8	172.1	-48.4	37.9	-23.1	0	0	0	113.1
833	S	27.6	Very low	30.9	Very low	126 Å²	126	127.9 Å²	127.9	88%	0.881	81%	0.809	S	S	*	*			trans	-154.4	178.8	157.1	68.9	0	0	0	0	112.4
834	K	29.6	Very low	30.9	Very low	209 Å²	209	134.7 Å²	134.7	91%	0.909	82%	0.816	S	S	*	*			trans	-126.9	141	-154	-60.1	175.3	179.6	175.7	0	116.2
835	G	28.9	Very low	30.2	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	82%	0.815	S	S	*	*			trans	80.1	175.3	142.8	0	0	0	0	0	118.4
836	P	35.1	Very low	30.3	Very low	134 Å²	134	136.8 Å²	136.8	87%	0.87	82%	0.817	S	S	*	*			cis	-109.6	151.3	8.4	38.9	-31.6	0	0	0	116.9
837	V	27.7	Very low	30.3	Very low	129 Å²	129	135.6 Å²	135.6	78%	0.782	81%	0.814	S	S	*	*			trans	-44.2	144	154.5	170.3	0	0	0	0	114.3
838	L	29.5	Very low	30.6	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	82%	0.819	S	S	*	*			trans	-161.7	136.6	132.4	-107.7	169.6	0	0	0	113.1
839	K	26.1	Very low	30.9	Very low	189 Å²	189	140 Å²	140	82%	0.822	81%	0.811	S	S	*	*			trans	-158.2	165.1	172.7	-92.1	-170.3	178.6	-178.5	0	106.6
840	P	41.6	Very low	31	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	81%	0.812	S	S	*	*			cis	-116.5	-172.5	-40.8	39.6	-26.8	0	0	0	109.4
841	L	26.5	Very low	31.3	Very low	174 Å²	174	144.6 Å²	144.6	91%	0.911	80%	0.803	S	S	*	*			trans	-173.8	154.9	148.4	-109.3	164.1	0	0	0	113.8
842	A	27.1	Very low	31.3	Very low	81 Å²	81	140.8 Å²	140.8	67%	0.669	80%	0.797	S	S	*	*			trans	-164.3	170.3	168.2	0	0	0	0	0	107.6
843	P	43.7	Very low	30.4	Very low	116 Å²	116	142.8 Å²	142.8	75%	0.753	80%	0.801	S	S	*	*			cis	-128.1	170.2	-27.6	36.8	-22.8	0	0	0	112.8
844	R	26.6	Very low	30.6	Very low	229 Å²	229	144.2 Å²	144.2	86%	0.864	80%	0.798	S	S	*	*				167	140.8	129.9	-96.1	-179.5	168.2	-169.1	-3.3	117.7
845	T	27.3	Very low	30.5	Very low	105 Å²	105	143.6 Å²	143.6	64%	0.644	80%	0.798	S	S	*	*			trans	63.6	122.5	141.6	55.7	0	0	0	0	125.4
846	K	30.3	Very low	30.7	Very low	204 Å²	204	148.1 Å²	148.1	89%	0.887	80%	0.803	S	S	*	*			trans	72.1	146.5	135.7	-68	177.5	-178.8	-179.4	0	117.6
847	A	28	Very low	30.4	Very low	85 Å²	85	147 Å²	147	70%	0.702	80%	0.798	S	S	*	*			cis	-153.6	167.7	4.7	0	0	0	0	0	113.8
848	K	30.5	Very low	30.5	Very low	207 Å²	207	145.2 Å²	145.2	90%	0.9	79%	0.792	S	S	*	*			trans	30.9	150.4	145.4	-67.9	-179.1	178.7	-179.6	0	122.2
849	A	34.5	Very low	30.4	Very low	82 Å²	82	143.6 Å²	143.6	68%	0.678	78%	0.784	S	S	*	*			cis	-177.8	177.7	-15.2	0	0	0	0	0	111
850	Q	31.2	Very low	30.6	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	78%	0.783	S	S	*	*			trans	79.2	148.8	167.1	-60.3	-179.2	-54.9	0	0	118.7
851	S	31.8	Very low	30.1	Very low	92 Å²	92	143.6 Å²	143.6	64%	0.643	78%	0.783	S	S	*	*			cis	-172.4	179.6	-29.3	57.2	0	0	0	0	111.9
852	T	27.8	Very low	30.2	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	77%	0.774	S	S	*	*			trans	81.1	141	154.8	-9.3	0	0	0	0	116.8
853	L	27.8	Very low	30.3	Very low	162 Å²	162	142 Å²	142	85%	0.848	78%	0.776	S	S	*	*			cis	-169	163.7	-27.3	-178.9	65.2	0	0	0	108
854	L	30.9	Very low	29.7	Very low	156 Å²	156	145.4 Å²	145.4	82%	0.817	78%	0.779	S	S	*	*			trans	-88	166	172.8	-75.8	160.1	0	0	0	113.7
855	Q	28.1	Very low	29.8	Very low	196 Å²	196	142 Å²	142	92%	0.916	77%	0.77	S	S	*	*			trans	-138.2	155.4	163.6	-81.4	-164.7	-32.4	0	0	112.1
856	I	33.5	Very low	29.8	Very low	169 Å²	169	141.9 Å²	141.9	87%	0.867	77%	0.769	S	S	*	*			trans	-141.4	143.5	-179.3	-62.2	174.7	0	0	0	109.6
857	S	28.3	Very low	29.9	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	76%	0.758	S	S	*	*			trans	-165.7	154.5	165.9	54.4	0	0	0	0	110.1
858	S	30.1	Very low	29.8	Very low	92 Å²	92	141.3 Å²	141.3	64%	0.643	76%	0.759	S	S	*	*			cis	-170.1	177.6	-16.1	51.9	0	0	0	0	111.4
859	N	27.4	Very low	29.8	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	75%	0.754	S	S	*	*			trans	84.3	132.6	167.5	-57	-33.3	0	0	0	117.3
860	K	30.6	Very low	29.3	Very low	183 Å²	183	136.5 Å²	136.5	80%	0.796	76%	0.758	S	S	*	*			cis	88.1	138.1	38.8	-72.9	-171.7	173.8	-178.2	0	112.8
861	T	29.5	Very low	28.9	Very low	121 Å²	121	136.2 Å²	136.2	74%	0.742	76%	0.756	S	S	*	*			cis	-166.6	146	9.2	4.6	0	0	0	0	114.3
862	A	30	Very low	29.8	Very low	87 Å²	87	136.8 Å²	136.8	72%	0.719	76%	0.758	S	S	*	*			trans	63.8	162.1	136.7	0	0	0	0	0	121
863	N	28.5	Very low	29.8	Very low	134 Å²	134	135.3 Å²	135.3	72%	0.717	76%	0.759	S	S	*	*			cis	-167.3	154.3	-6.3	-133.8	-18	0	0	0	114.5
864	K	31	Very low	30.2	Very low	188 Å²	188	132.3 Å²	132.3	82%	0.817	76%	0.757	S	S	*	*			trans	61.5	163.2	152.5	-74.7	177.4	176.9	-175.4	0	119.9
865	K	29.7	Very low	29.9	Very low	156 Å²	156	132.3 Å²	132.3	68%	0.678	76%	0.758	S	S	*	*			cis	-120.5	-152.7	7.6	-167.3	-125.7	162.7	-155.8	0	112.5
866	T	26.9	Very low	30.2	Very low	103 Å²	103	129.8 Å²	129.8	63%	0.632	75%	0.75	S	S	*	*			trans	-157.8	-174.5	-165.1	50.5	0	0	0	0	113.2
867	L	31.4	Very low	30.1	Very low	125 Å²	125	128.2 Å²	128.2	65%	0.654	74%	0.739	S	S	*	*			trans	87.6	153.8	159	-59.2	152.8	0	0	0	117.8
868	E	27.2	Very low	30.1	Very low	152 Å²	152	131.3 Å²	131.3	71%	0.71	74%	0.738	S	S	*	*			cis	-146.9	138.8	12.2	-129.6	121.2	-139.5	0	0	110
869	A	28.8	Very low	29.9	Very low	98 Å²	98	136.1 Å²	136.1	81%	0.81	75%	0.751	S	S	*	*				68.7	148.1	94.5	0	0	0	0	0	116.3
870	A	25.7	Very low	30.1	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	75%	0.752	S	S	*	*			cis	-153.1	152.3	-0.6	0	0	0	0	0	108.8
871	E	21.6	Very low	29.8	Very low	186 Å²	186	133.4 Å²	133.4	87%	0.869	75%	0.751	S	S	*	*				64.2	154.9	70.6	-111.5	-165.5	-130.3	0	0	116
872	P	51.1	Low	29.6	Very low	104 Å²	104	134.6 Å²	134.6	68%	0.675	76%	0.759	S	S	*	*			cis	-145.3	-168.3	-6.3	42.9	-22.9	0	0	0	117.7
873	A	27.8	Very low	29.6	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	77%	0.766	S	S	*	*			trans	89.6	148.9	146.2	0	0	0	0	0	122.4
874	A	36.1	Very low	29.5	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	77%	0.769	S	S	*	*			cis	-175.1	146.4	-26	0	0	0	0	0	111.8
875	D	25.8	Very low	29.7	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	77%	0.765	S	S	*	*				-174.3	177.7	119.1	-139.7	-30.3	0	0	0	112.8
876	L	34.4	Very low	29.8	Very low	144 Å²	144	128.5 Å²	128.5	75%	0.754	77%	0.771	S	S	*	*			trans	-113.7	177.9	-166.6	-64	151	0	0	0	112.3
877	Q	30.1	Very low	29.9	Very low	135 Å²	135	128.4 Å²	128.4	63%	0.631	78%	0.781	S	S	*	*			cis	-164.4	152.5	16.4	-150.7	176.2	90.3	0	0	112.6
878	K	28.3	Very low	29.8	Very low	175 Å²	175	129.6 Å²	129.6	76%	0.761	78%	0.783	S	S	*	*			trans	60.6	112	159.5	-77.9	160.9	179.6	151.3	0	121.4
879	Q	26.1	Very low	29.9	Very low	193 Å²	193	128 Å²	128	90%	0.902	78%	0.779	S	S	*	*				-166	165.4	98.5	-100	-148.6	-1.6	0	0	110.9
880	P	30.9	Very low	30	Very low	113 Å²	113	130.4 Å²	130.4	73%	0.734	78%	0.784	S	S	*	*			trans	-103.3	162.6	-147.4	39.1	-37.5	0	0	0	117.5
881	D	24.3	Very low	30.2	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	78%	0.78	S	S	*	*			trans	-70.7	153.2	176.2	-44.2	-98.6	0	0	0	114.7
882	T	26	Very low	31	Very low	147 Å²	147	131.7 Å²	131.7	90%	0.902	78%	0.78	S	S	*	*				-163.9	117.8	111.4	5.4	0	0	0	0	111.3
883	A	29.6	Very low	30.4	Very low	105 Å²	105	134.2 Å²	134.2	87%	0.868	78%	0.78	S	S	*	*			trans	-94.1	146.3	172.8	0	0	0	0	0	111.3
884	A	27.6	Very low	31.3	Very low	95 Å²	95	140.3 Å²	140.3	79%	0.785	78%	0.783	S	S	*	*			trans	-160.6	159.7	177.6	0	0	0	0	0	111
885	P	35.3	Very low	32.4	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	78%	0.782	S	S	*	*			cis	-119.4	167.5	-49	37.9	-28.1	0	0	0	110.9
886	P	31.3	Very low	34.7	Very low	123 Å²	123	139.6 Å²	139.6	80%	0.799	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-66	150.9	167.3	29.9	-35.3	0	0	0	111.3
887	A	29.3	Very low	37.1	Very low	101 Å²	101	136.5 Å²	136.5	84%	0.835	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-71.5	135	175.1	0	0	0	0	0	111.3
888	E	28.5	Very low	39.7	Very low	150 Å²	150	130.2 Å²	130.2	70%	0.701	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-73.6	139.9	175.4	-77.8	-163.8	173.1	0	0	112.3	T890 K893	E888-T890 PolarHBondContact O-N 2.74Å; E888-K893 IonicContact OE2-NZ 3.15Å; E888-K893 PolarHBondContact OE2-NZ 2.94Å
889	N	28.4	Very low	42.6	Very low	118 Å²	118	123.8 Å²	123.8	63%	0.631	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-53.5	122.9	165.4	-70.9	0.4	0	0	0	111.4	E891	N889-E891 HydrophobicContact CB-CG 4.21Å; N889-E891 PolarHBondContact O-N 2.75Å
890	T	31.1	Very low	45.5	Very low	148 Å²	148	118.8 Å²	118.8	91%	0.908	67%	0.674	S	S	*	*			trans	-80.4	43.9	166.1	46.1	0	0	0	0	112.1	E888	E888-T890 PolarHBondContact O-N 2.74Å
891	E	31	Very low	48.2	Very low	141 Å²	141	115 Å²	115	66%	0.659	65%	0.647	S	S	*	*			trans	-66.3	155.3	167.7	-78.6	-173.7	112.4	0	0	111.4	N889 K893	N889-E891 HydrophobicContact CB-CG 4.21Å; N889-E891 PolarHBondContact O-N 2.75Å; E891-K893 PolarHBondContact O-N 3.14Å
892	N	37.5	Very low	51.4	Low	163 Å²	163	108.7 Å²	108.7	87%	0.872	61%	0.612	S	S	*	*			trans	-57.4	86	-174.3	-73.1	-74.9	0	0	0	113.6	R894	N892-R894 PolarHBondContact O-N 2.7Å
893	K	39.4	Very low	54.5	Low	156 Å²	156	102.4 Å²	102.4	68%	0.678	57%	0.573	S	S	*	*			trans	-64.9	89.9	175.6	-77.3	174.2	179	168.9	0	110.2	E888 E891	E888-K893 IonicContact OE2-NZ 3.15Å; E888-K893 PolarHBondContact OE2-NZ 2.94Å; E891-K893 PolarHBondContact O-N 3.14Å
894	R	46.9	Very low	57.3	Low	225 Å²	225	100.9 Å²	100.9	85%	0.849	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-47.1	143.8	172.4	-64.3	178.3	-179.5	172.3	1.1	110.3	N892 K896	N892-R894 PolarHBondContact O-N 2.7Å; R894-K896 PolarHBondContact O-N 2.69Å; R894-K896 VanDerWaalsContact O-N 3.17Å
895	P	58.8	Low	60.1	Low	121 Å²	121	100.8 Å²	100.8	79%	0.786	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-56.8	123.4	-177	22.6	-33.6	0	0	0	111.1
896	K	74.3	Confident	62.6	Low	118 Å²	118	97.2 Å²	97.2	51%	0.513	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-58	142.5	179.3	-73.1	-168.3	177.7	-171.4	0	110	R894 Q900 D904	R894-K896 PolarHBondContact O-N 2.69Å; R894-K896 VanDerWaalsContact O-N 3.17Å; K896-Q900 HydrophobicContact CB-CB 4.3Å; K896-Q900 HydrophobicContact CG-CG 4.45Å; K896-D904 IonicContact NZ-OD2 3.89Å; K896-D904 PolarHBondContact NZ-OD2 3.22Å
897	T	84.7	Confident	65.3	Low	79 Å²	79	96 Å²	96	49%	0.485	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-81.2	158.2	171.1	72.2	0	0	0	0	110.4	F899 Q900 L901	T897-F899 PolarHBondContact O-N 2.86Å; T897-Q900 WeakPolarHBondContact O-CA 3.34Å; T897-Q900 VanDerWaalsContact O-CB 3.3Å; T897-Q900 WeakPolarHBondContact O-CB 3.31Å; T897-Q900 PolarHBondContact O-N 3.37Å; T897-Q900 PolarHBondContact OG1-N 3.13Å; T897-L901 PolarHBondContact O-N 3.46Å
898	G	83.4	Confident	67.9	Low	3 Å²	3	99.6 Å²	99.6	3%	0.031	48%	0.484	C	S	.	.	H	α-helix	trans	-58.7	-30	175.7	0	0	0	0	0	113.7	W902 W941	G898-W902 WeakPolarHBondContact O-CB 3.49Å; G898-W902 PolarHBondContact O-N 3.47Å; G898-W902 VanDerWaalsContact O-N 3.08Å; G898-W941 VanDerWaalsContact CA-O 3.29Å; G898-W941 WeakPolarHBondContact CA-O 3.4Å
899	F	89.9	Confident	70.6	Confident	40 Å²	40	96.7 Å²	96.7	18%	0.175	47%	0.473	C	S	.	.	H	α-helix	trans	-69.4	-41.8	171	174.3	-117.6	0	0	0	112.1	T897 L901 W902 L903 A926 M927 F930	T897-F899 PolarHBondContact O-N 2.86Å; F899-L901 VanDerWaalsContact C-N 3.34Å; F899-L901 PolarHBondContact O-N 2.95Å; F899-W902 HydrophobicContact CD2-CE3 4.21Å; F899-W902 HydrophobicContact CE2-CE3 4.09Å; F899-W902 HydrophobicContact CE2-CZ3 4.25Å; F899-W902 PolarHBondContact O-N 3.06Å; F899-L903 HydrophobicContact CE1-CD2 4.44Å; F899-L903 HydrophobicContact CE2-CB 4.46Å; F899-L903 HydrophobicContact CZ-CB 4.47Å; F899-L903 HydrophobicContact CZ-CD2 4.43Å; F899-L903 VanDerWaalsContact O-CB 3.22Å; F899-L903 WeakPolarHBondContact O-CB 3.47Å; F899-L903 PolarHBondContact O-N 2.78Å; F899-A926 HydrophobicContact CE2-CB 4.24Å; F899-A926 HydrophobicContact CZ-CB 4.14Å; F899-M927 HydrophobicContact CE1-CG 3.71Å; F899-M927 HydrophobicContact CE2-CG 4.09Å; F899-M927 HydrophobicContact CZ-CB 4.26Å; F899-M927 HydrophobicContact CZ-CG 3.42Å; F899-M927 VanDerWaalsContact CZ-CG 3.42Å; F899-F930 HydrophobicContact CB-CD1 4.1Å; F899-F930 HydrophobicContact CB-CE1 3.83Å; F899-F930 HydrophobicContact CB-CZ 4.12Å; F899-F930 HydrophobicContact CD2-CB 3.68Å; F899-F930 AromaticContact CD2-CD1 3.61Å; F899-F930 HydrophobicContact CD2-CD1 3.61Å; F899-F930 HydrophobicContact CD2-CD2 4.04Å; F899-F930 HydrophobicContact CD2-CE1 4.2Å; F899-F930 AromaticContact CD2-CG 3.51Å; F899-F930 HydrophobicContact CD2-CG 3.51Å; F899-F930 HydrophobicContact CE2-CB 3.8Å; F899-F930 HydrophobicContact CE2-CD1 4.49Å; F899-F930 HydrophobicContact CE2-CG 4.18Å; F899-F930 HydrophobicContact CG-CD1 4.2Å; F899-F930 HydrophobicContact CG-CE1 4.43Å; F899-F930 HydrophobicContact CG-CG 4.48Å
900	Q	87	Confident	73.2	Confident	88 Å²	88	91.1 Å²	91.1	41%	0.411	44%	0.443	S	S	.	.	H	α-helix	trans	-59.1	-46.3	177.4	-154.9	85.3	35.2	0	0	111.1	K896 T897 L903 D904	K896-Q900 HydrophobicContact CB-CB 4.3Å; K896-Q900 HydrophobicContact CG-CG 4.45Å; T897-Q900 WeakPolarHBondContact O-CA 3.34Å; T897-Q900 VanDerWaalsContact O-CB 3.3Å; T897-Q900 WeakPolarHBondContact O-CB 3.31Å; T897-Q900 PolarHBondContact O-N 3.37Å; T897-Q900 PolarHBondContact OG1-N 3.13Å; Q900-L903 PolarHBondContact O-N 2.82Å; Q900-D904 PolarHBondContact O-N 3.15Å
901	L	87.9	Confident	75.8	Confident	32 Å²	32	87.2 Å²	87.2	17%	0.168	42%	0.416	C	S	.	.	H	α-helix	trans	-69.1	-40.3	-178.2	-157.4	156.3	0	0	0	111.4	T897 F899 D904 E905 W941 R944 A945	T897-L901 PolarHBondContact O-N 3.46Å; F899-L901 VanDerWaalsContact C-N 3.34Å; F899-L901 PolarHBondContact O-N 2.95Å; L901-D904 PolarHBondContact O-N 2.61Å; L901-E905 VanDerWaalsContact CD2-OE1 3.25Å; L901-E905 WeakPolarHBondContact CD2-OE1 3.39Å; L901-E905 PolarHBondContact O-N 2.65Å; L901-W941 HydrophobicContact CD2-CE3 3.85Å; L901-W941 HydrophobicContact CD2-CZ3 3.64Å; L901-R944 HydrophobicContact CD2-CG 4.34Å; L901-A945 HydrophobicContact CB-CB 4.39Å; L901-A945 HydrophobicContact CD1-CB 3.93Å
902	W	90.9	Very high	78.2	Confident	16 Å²	16	84.2 Å²	84.2	6%	0.061	42%	0.415	C	S	.	.	H	α-helix	trans	-64.1	-41.6	172	179.3	85.2	0	0	0	112.6	G898 F899 E905 N906 I910 A926 R929 F930 W941	G898-W902 WeakPolarHBondContact O-CB 3.49Å; G898-W902 PolarHBondContact O-N 3.47Å; G898-W902 VanDerWaalsContact O-N 3.08Å; F899-W902 HydrophobicContact CD2-CE3 4.21Å; F899-W902 HydrophobicContact CE2-CE3 4.09Å; F899-W902 HydrophobicContact CE2-CZ3 4.25Å; F899-W902 PolarHBondContact O-N 3.06Å; W902-E905 PolarHBondContact O-N 2.83Å; W902-N906 HydrophobicContact CD2-CB 4.37Å; W902-N906 HydrophobicContact CH2-CB 4.09Å; W902-N906 HydrophobicContact CZ2-CB 3.91Å; W902-N906 HydrophobicContact CZ3-CB 4.43Å; W902-N906 PolarHBondContact NE1-ND2 3.21Å; W902-N906 WeakPolarHBondContact O-CB 3.32Å; W902-N906 PolarHBondContact O-N 3.27Å; W902-N906 PolarHBondContact O-ND2 2.73Å; W902-I910 HydrophobicContact CH2-CD1 4.26Å; W902-I910 HydrophobicContact CZ3-CD1 4.48Å; W902-A926 HydrophobicContact CZ3-CB 4.02Å; W902-A926 WeakPolarHBondContact CZ3-O 3.39Å; W902-R929 HydrophobicContact CH2-CB 3.68Å; W902-R929 HydrophobicContact CZ2-CB 4.31Å; W902-F930 HydrophobicContact CB-CD2 3.95Å; W902-F930 HydrophobicContact CB-CE2 3.82Å; W902-F930 HydrophobicContact CD2-CB 4.38Å; W902-F930 AromaticContact CD2-CD2 3.57Å; W902-F930 HydrophobicContact CD2-CD2 3.57Å; W902-F930 HydrophobicContact CD2-CE2 4.33Å; W902-F930 HydrophobicContact CD2-CG 4.42Å; W902-F930 HydrophobicContact CE3-CB 3.86Å; W902-F930 AromaticContact CE3-CD2 3.75Å; W902-F930 HydrophobicContact CE3-CD2 3.75Å; W902-F930 HydrophobicContact CE3-CG 4.19Å; W902-F930 AromaticContact CG-CD2 3.64Å; W902-F930 HydrophobicContact CG-CD2 3.64Å; W902-F930 AromaticContact CG-CE2 3.92Å; W902-F930 HydrophobicContact CG-CE2 3.92Å; W902-F930 HydrophobicContact CH2-CB 4.43Å; W902-F930 HydrophobicContact CZ3-CB 3.89Å; W902-W941 HydrophobicContact CB-CD2 4.07Å; W902-W941 HydrophobicContact CB-CE3 4.25Å; W902-W941 HydrophobicContact CB-CG 4.25Å; W902-W941 AromaticContact CD1-CE2 3.59Å; W902-W941 AromaticContact CD1-CZ2 3.91Å; W902-W941 AromaticContact CD1-NE1 3.56Å; W902-W941 HydrophobicContact CG-CD2 4.49Å
903	L	91.3	Very high	80.2	Confident	14 Å²	14	80.5 Å²	80.5	7%	0.073	40%	0.395	C	S	.	.	H	α-helix	trans	-59.9	-48.3	175.7	168.6	64	0	0	0	110.7	F899 Q900 E905 N906 R907 I923 A926	F899-L903 HydrophobicContact CE1-CD2 4.44Å; F899-L903 HydrophobicContact CE2-CB 4.46Å; F899-L903 HydrophobicContact CZ-CB 4.47Å; F899-L903 HydrophobicContact CZ-CD2 4.43Å; F899-L903 VanDerWaalsContact O-CB 3.22Å; F899-L903 WeakPolarHBondContact O-CB 3.47Å; F899-L903 PolarHBondContact O-N 2.78Å; Q900-L903 PolarHBondContact O-N 2.82Å; L903-E905 VanDerWaalsContact C-N 3.29Å; L903-E905 PolarHBondContact O-N 2.66Å; L903-N906 PolarHBondContact O-N 3.38Å; L903-R907 HydrophobicContact CD1-CB 4.47Å; L903-R907 WeakPolarHBondContact O-CA 3.24Å; L903-R907 VanDerWaalsContact O-CB 3.24Å; L903-R907 WeakPolarHBondContact O-CB 3.39Å; L903-R907 PolarHBondContact O-N 2.8Å; L903-I923 HydrophobicContact CD2-CG1 4.4Å; L903-A926 HydrophobicContact CD1-CB 3.55Å
904	D	87.8	Confident	82	Confident	73 Å²	73	76.3 Å²	76.3	39%	0.39	38%	0.38	S	S	.	.	H	α-helix	trans	-56.8	-42	179.4	-66.9	-22.5	0	0	0	112	K896 Q900 L901	K896-D904 IonicContact NZ-OD2 3.89Å; K896-D904 PolarHBondContact NZ-OD2 3.22Å; Q900-D904 PolarHBondContact O-N 3.15Å; L901-D904 PolarHBondContact O-N 2.61Å
905	E	88.1	Confident	83.4	Confident	94 Å²	94	70.1 Å²	70.1	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-73.6	-34.3	177.8	-69.9	-175.4	-144.5	0	0	113.1	L901 W902 L903 W941 R944	L901-E905 VanDerWaalsContact CD2-OE1 3.25Å; L901-E905 WeakPolarHBondContact CD2-OE1 3.39Å; L901-E905 PolarHBondContact O-N 2.65Å; W902-E905 PolarHBondContact O-N 2.83Å; L903-E905 VanDerWaalsContact C-N 3.29Å; L903-E905 PolarHBondContact O-N 2.66Å; E905-W941 WeakPolarHBondContact OE2-CH2 3.31Å; E905-R944 VanDerWaalsContact CD-NH2 3.26Å; E905-R944 IonicContact OE1-CZ 3.99Å; E905-R944 IonicContact OE1-NE 2.65Å; E905-R944 IonicContact OE1-NH2 2.81Å; E905-R944 PolarHBondContact OE1-NH2 3.26Å; E905-R944 IonicContact OE2-NH2 3.96Å; E905-R944 PolarHBondContact OE2-NH2 2.89Å
906	N	86.6	Confident	84.3	Confident	38 Å²	38	72 Å²	72	20%	0.203	37%	0.372	C	S	.	.	H	α-helix	trans	-98	-10.8	-173.6	-70.3	-101	0	0	0	114.3	W902 L903 K908 I909 I910	W902-N906 HydrophobicContact CD2-CB 4.37Å; W902-N906 HydrophobicContact CH2-CB 4.09Å; W902-N906 HydrophobicContact CZ2-CB 3.91Å; W902-N906 HydrophobicContact CZ3-CB 4.43Å; W902-N906 PolarHBondContact NE1-ND2 3.21Å; W902-N906 WeakPolarHBondContact O-CB 3.32Å; W902-N906 PolarHBondContact O-N 3.27Å; W902-N906 PolarHBondContact O-ND2 2.73Å; L903-N906 PolarHBondContact O-N 3.38Å; N906-K908 VanDerWaalsContact C-N 3.26Å; N906-K908 PolarHBondContact O-N 3.38Å; N906-I909 WeakPolarHBondContact O-CB 3.46Å; N906-I909 PolarHBondContact O-N 3.38Å; N906-I910 PolarHBondContact O-N 3.44Å
907	R	88.4	Confident	84.7	Confident	97 Å²	97	69.3 Å²	69.3	37%	0.366	36%	0.364	S	S	.	.	H	α-helix	trans	-52.6	-42	-177.2	-176.9	176.2	-173.7	-163.1	-1.1	112.7	L903 I909 I910 I911 E919 V922	L903-R907 HydrophobicContact CD1-CB 4.47Å; L903-R907 WeakPolarHBondContact O-CA 3.24Å; L903-R907 VanDerWaalsContact O-CB 3.24Å; L903-R907 WeakPolarHBondContact O-CB 3.39Å; L903-R907 PolarHBondContact O-N 2.8Å; R907-I909 VanDerWaalsContact C-N 3.29Å; R907-I909 PolarHBondContact O-N 3.22Å; R907-I910 PolarHBondContact O-N 2.65Å; R907-I911 HydrophobicContact CG-CD1 3.79Å; R907-I911 WeakPolarHBondContact O-CG1 3.15Å; R907-I911 PolarHBondContact O-N 3.04Å; R907-I911 VanDerWaalsContact O-N 3.08Å; R907-E919 IonicContact CZ-OE1 2.67Å; R907-E919 IonicContact NH1-OE1 3.58Å; R907-E919 IonicContact NH2-OE1 2.72Å; R907-E919 PolarHBondContact NH2-OE1 2.85Å; R907-V922 HydrophobicContact CG-CG1 4.33Å
908	K	84.9	Confident	84.5	Confident	178 Å²	178	71.5 Å²	71.5	77%	0.774	37%	0.372	S	S	*	.	H	α-helix	trans	-65	-30.5	179.6	-65.7	-175.8	179.5	-178.9	0	113.1	N906 A912	N906-K908 VanDerWaalsContact C-N 3.26Å; N906-K908 PolarHBondContact O-N 3.38Å; K908-A912 VanDerWaalsContact O-CB 3.25Å; K908-A912 WeakPolarHBondContact O-CB 3.16Å; K908-A912 PolarHBondContact O-N 2.91Å; K908-A912 VanDerWaalsContact O-N 3.11Å
909	I	84.2	Confident	84.4	Confident	89 Å²	89	77.3 Å²	77.3	46%	0.456	40%	0.398	S	S	.	.	H	α-helix	trans	-75.9	-44.4	178.1	-56.1	174.6	0	0	0	109.6	N906 R907 I911 A912 D913	N906-I909 WeakPolarHBondContact O-CB 3.46Å; N906-I909 PolarHBondContact O-N 3.38Å; R907-I909 VanDerWaalsContact C-N 3.29Å; R907-I909 PolarHBondContact O-N 3.22Å; I909-I911 VanDerWaalsContact C-N 3.33Å; I909-I911 PolarHBondContact O-N 2.8Å; I909-A912 PolarHBondContact O-N 3.28Å; I909-A912 VanDerWaalsContact O-N 3.09Å; I909-D913 PolarHBondContact O-N 2.62Å
910	I	83.2	Confident	84	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	42%	0.416	C	S	.	.	H	α-helix	trans	-62.8	-40.6	179.5	-60.6	173.3	0	0	0	111.2	W902 N906 R907 D913 N914 V922 E925 A926	W902-I910 HydrophobicContact CH2-CD1 4.26Å; W902-I910 HydrophobicContact CZ3-CD1 4.48Å; N906-I910 PolarHBondContact O-N 3.44Å; R907-I910 PolarHBondContact O-N 2.65Å; I910-D913 PolarHBondContact O-N 3.02Å; I910-N914 PolarHBondContact O-N 2.85Å; I910-N914 VanDerWaalsContact O-N 3.07Å; I910-V922 HydrophobicContact CG2-CG1 4.11Å; I910-E925 HydrophobicContact CG2-CB 4.31Å; I910-A926 HydrophobicContact CD1-CB 3.61Å
911	I	84.9	Confident	83.9	Confident	65 Å²	65	78.2 Å²	78.2	33%	0.333	41%	0.411	S	S	.	.	H	α-helix	trans	-71.3	-30.1	174.9	-64.3	171.4	0	0	0	111.8	R907 I909 N914 P915 V922	R907-I911 HydrophobicContact CG-CD1 3.79Å; R907-I911 WeakPolarHBondContact O-CG1 3.15Å; R907-I911 PolarHBondContact O-N 3.04Å; R907-I911 VanDerWaalsContact O-N 3.08Å; I909-I911 VanDerWaalsContact C-N 3.33Å; I909-I911 PolarHBondContact O-N 2.8Å; I911-N914 CarbonylContact O-C 3.19Å; I911-P915 VanDerWaalsContact O-CA 3.24Å; I911-P915 WeakPolarHBondContact O-CA 3.19Å; I911-V922 HydrophobicContact CD1-CG1 4.46Å; I911-V922 HydrophobicContact CG1-CG1 4.12Å; I911-V922 HydrophobicContact CG1-CG2 3.98Å
912	A	82.8	Confident	83.8	Confident	78 Å²	78	76.8 Å²	76.8	65%	0.645	40%	0.404	S	S	*	.	H	α-helix	trans	-73.6	-33.1	174.9	0	0	0	0	0	112.9	K908 I909	K908-A912 VanDerWaalsContact O-CB 3.25Å; K908-A912 WeakPolarHBondContact O-CB 3.16Å; K908-A912 PolarHBondContact O-N 2.91Å; K908-A912 VanDerWaalsContact O-N 3.11Å; I909-A912 PolarHBondContact O-N 3.28Å; I909-A912 VanDerWaalsContact O-N 3.09Å
913	D	78.6	Confident	83.6	Confident	86 Å²	86	79.6 Å²	79.6	46%	0.46	42%	0.419	S	S	.	.	H	α-helix	trans	-71.5	-39.6	174.1	-67.3	-23	0	0	0	111.7	I909 I910 R929	I909-D913 PolarHBondContact O-N 2.62Å; I910-D913 PolarHBondContact O-N 3.02Å; D913-R929 IonicContact OD2-CZ 3.69Å; D913-R929 IonicContact OD2-NH1 2.71Å; D913-R929 PolarHBondContact OD2-NH1 2.78Å; D913-R929 IonicContact OD2-NH2 3.76Å; D913-R929 PolarHBondContact OD2-NH2 2.68Å
914	N	76.9	Confident	83.4	Confident	68 Å²	68	84.1 Å²	84.1	36%	0.364	44%	0.438	S	S	.	.			trans	-135.6	86.7	-176.1	-72	-40.7	0	0	0	110.7	I910 I911 D916 L917 E925	I910-N914 PolarHBondContact O-N 2.85Å; I910-N914 VanDerWaalsContact O-N 3.07Å; I911-N914 CarbonylContact O-C 3.19Å; N914-D916 PolarHBondContact O-N 3.22Å; N914-L917 HydrophobicContact CB-CD1 3.48Å; N914-L917 VanDerWaalsContact CB-CD1 3.48Å; N914-L917 HydrophobicContact CB-CG 3.86Å; N914-E925 PolarHBondContact ND2-OE2 3.04Å
915	P	77.3	Confident	83.4	Confident	94 Å²	94	83.1 Å²	83.1	61%	0.61	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.8	-171.8	28	-35.6	0	0	0	115.1	I911 L917	I911-P915 VanDerWaalsContact O-CA 3.24Å; I911-P915 WeakPolarHBondContact O-CA 3.19Å; P915-L917 VanDerWaalsContact C-N 3.34Å; P915-L917 PolarHBondContact O-N 3.42Å
916	D	78.4	Confident	83.3	Confident	160 Å²	160	78.6 Å²	78.6	86%	0.856	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	18.2	-174.8	-57.3	-43.8	0	0	0	113.9	N914	N914-D916 PolarHBondContact O-N 3.22Å
917	L	80.6	Confident	83.3	Confident	63 Å²	63	80 Å²	80	33%	0.33	42%	0.416	S	S	.	.			trans	-95.7	126.1	-176.6	-68.8	-179.7	0	0	0	113.8	N914 P915 D921 V922	N914-L917 HydrophobicContact CB-CD1 3.48Å; N914-L917 VanDerWaalsContact CB-CD1 3.48Å; N914-L917 HydrophobicContact CB-CG 3.86Å; P915-L917 VanDerWaalsContact C-N 3.34Å; P915-L917 PolarHBondContact O-N 3.42Å; L917-D921 HydrophobicContact CD2-CB 4.19Å; L917-V922 HydrophobicContact CB-CG2 3.78Å
918	D	82.2	Confident	83.1	Confident	125 Å²	125	77.1 Å²	77.1	67%	0.668	42%	0.417	S	S	*	.			trans	-57.5	150.9	166.7	-80.8	-35.7	0	0	0	112.1	T920 D921 V922	D918-T920 PolarHBondContact O-N 2.81Å; D918-D921 WeakPolarHBondContact O-CA 3.46Å; D918-D921 PolarHBondContact O-N 2.97Å; D918-V922 PolarHBondContact O-N 3.13Å
919	E	80	Confident	83.2	Confident	124 Å²	124	72.2 Å²	72.2	58%	0.579	39%	0.394	S	S	*	.	H	α-helix	trans	-54.7	-34.2	-176.8	-63.6	-159.4	134.4	0	0	113.4	R907 D921 I923	R907-E919 IonicContact CZ-OE1 2.67Å; R907-E919 IonicContact NH1-OE1 3.58Å; R907-E919 IonicContact NH2-OE1 2.72Å; R907-E919 PolarHBondContact NH2-OE1 2.85Å; E919-D921 VanDerWaalsContact C-N 3.28Å; E919-D921 PolarHBondContact O-N 3.15Å; E919-I923 WeakPolarHBondContact O-CD1 3.41Å; E919-I923 VanDerWaalsContact O-CG1 3.29Å; E919-I923 WeakPolarHBondContact O-CG1 3.42Å; E919-I923 PolarHBondContact O-N 3.34Å; E919-I923 VanDerWaalsContact O-N 3.1Å
920	T	81.5	Confident	83.4	Confident	88 Å²	88	69.2 Å²	69.2	54%	0.54	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-28.9	178	74.5	0	0	0	0	112.9	D918 K924	D918-T920 PolarHBondContact O-N 2.81Å; T920-K924 VanDerWaalsContact O-CE 3.24Å; T920-K924 WeakPolarHBondContact O-CE 3.4Å; T920-K924 WeakPolarHBondContact O-CG 3.22Å; T920-K924 PolarHBondContact O-N 2.94Å
921	D	84.9	Confident	83.5	Confident	59 Å²	59	77.1 Å²	77.1	32%	0.316	41%	0.407	S	S	.	.	H	α-helix	trans	-87.3	-34.9	178.6	-77.4	-65.3	0	0	0	112	L917 D918 E919 I923 K924 E925	L917-D921 HydrophobicContact CD2-CB 4.19Å; D918-D921 WeakPolarHBondContact O-CA 3.46Å; D918-D921 PolarHBondContact O-N 2.97Å; E919-D921 VanDerWaalsContact C-N 3.28Å; E919-D921 PolarHBondContact O-N 3.15Å; D921-I923 PolarHBondContact O-N 3.37Å; D921-K924 PolarHBondContact O-N 2.85Å; D921-K924 VanDerWaalsContact OD1-CD 3.29Å; D921-K924 WeakPolarHBondContact OD1-CD 3.48Å; D921-K924 WeakPolarHBondContact OD1-CE 3.37Å; D921-K924 IonicContact OD1-NZ 3.54Å; D921-K924 PolarHBondContact OD1-NZ 3.06Å; D921-K924 IonicContact OD2-NZ 3.5Å; D921-K924 PolarHBondContact OD2-NZ 3.46Å; D921-K924 VanDerWaalsContact OD2-NZ 3.08Å; D921-E925 PolarHBondContact O-N 3.15Å
922	V	86.8	Confident	83.6	Confident	2 Å²	2	79.8 Å²	79.8	1%	0.012	43%	0.426	C	S	.	.	H	α-helix	trans	-54.1	-42.1	165.7	177.3	0	0	0	0	110.8	R907 I910 I911 L917 D918 A926	R907-V922 HydrophobicContact CG-CG1 4.33Å; I910-V922 HydrophobicContact CG2-CG1 4.11Å; I911-V922 HydrophobicContact CD1-CG1 4.46Å; I911-V922 HydrophobicContact CG1-CG1 4.12Å; I911-V922 HydrophobicContact CG1-CG2 3.98Å; L917-V922 HydrophobicContact CB-CG2 3.78Å; D918-V922 PolarHBondContact O-N 3.13Å; V922-A926 WeakPolarHBondContact O-CB 3.24Å; V922-A926 PolarHBondContact O-N 3.49Å
923	I	87.2	Confident	83.7	Confident	75 Å²	75	77.8 Å²	77.8	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-69.7	-34.8	176.6	-68	166.2	0	0	0	112.2	L903 E919 D921 M927	L903-I923 HydrophobicContact CD2-CG1 4.4Å; E919-I923 WeakPolarHBondContact O-CD1 3.41Å; E919-I923 VanDerWaalsContact O-CG1 3.29Å; E919-I923 WeakPolarHBondContact O-CG1 3.42Å; E919-I923 PolarHBondContact O-N 3.34Å; E919-I923 VanDerWaalsContact O-N 3.1Å; D921-I923 PolarHBondContact O-N 3.37Å; I923-M927 HydrophobicContact CG2-CE 4.17Å; I923-M927 WeakPolarHBondContact O-CB 3.44Å; I923-M927 PolarHBondContact O-N 2.81Å
924	K	86.8	Confident	84.1	Confident	109 Å²	109	76 Å²	76	47%	0.474	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-46.3	174.3	-72.6	168.6	-135.8	153.3	0	111.3	T920 D921 M927 G928	T920-K924 VanDerWaalsContact O-CE 3.24Å; T920-K924 WeakPolarHBondContact O-CE 3.4Å; T920-K924 WeakPolarHBondContact O-CG 3.22Å; T920-K924 PolarHBondContact O-N 2.94Å; D921-K924 PolarHBondContact O-N 2.85Å; D921-K924 VanDerWaalsContact OD1-CD 3.29Å; D921-K924 WeakPolarHBondContact OD1-CD 3.48Å; D921-K924 WeakPolarHBondContact OD1-CE 3.37Å; D921-K924 IonicContact OD1-NZ 3.54Å; D921-K924 PolarHBondContact OD1-NZ 3.06Å; D921-K924 IonicContact OD2-NZ 3.5Å; D921-K924 PolarHBondContact OD2-NZ 3.46Å; D921-K924 VanDerWaalsContact OD2-NZ 3.08Å; K924-M927 WeakPolarHBondContact O-CB 3.48Å; K924-M927 PolarHBondContact O-N 3.47Å; K924-G928 PolarHBondContact O-N 3.39Å
925	E	86.4	Confident	84.2	Confident	52 Å²	52	76.2 Å²	76.2	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-66.6	-41.1	178.1	-163.7	-176.3	154.3	0	0	111.3	I910 N914 D921 M927 G928 R929	I910-E925 HydrophobicContact CG2-CB 4.31Å; N914-E925 PolarHBondContact ND2-OE2 3.04Å; D921-E925 PolarHBondContact O-N 3.15Å; E925-M927 VanDerWaalsContact C-N 3.34Å; E925-M927 PolarHBondContact O-N 2.87Å; E925-G928 CarbonylContact O-C 3.59Å; E925-G928 WeakPolarHBondContact O-CA 3.48Å; E925-G928 PolarHBondContact O-N 2.83Å; E925-R929 PolarHBondContact O-N 3.16Å; E925-R929 IonicContact OE1-CZ 2.7Å; E925-R929 IonicContact OE1-NE 2.69Å; E925-R929 PolarHBondContact OE1-NE 3.37Å; E925-R929 IonicContact OE1-NH2 3.44Å; E925-R929 PolarHBondContact OE1-NH2 3.2Å
926	A	87.3	Confident	84.3	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-57.5	-43.8	171.2	0	0	0	0	0	112.3	F899 W902 L903 I910 V922 G928 R929 F930	F899-A926 HydrophobicContact CE2-CB 4.24Å; F899-A926 HydrophobicContact CZ-CB 4.14Å; W902-A926 HydrophobicContact CZ3-CB 4.02Å; W902-A926 WeakPolarHBondContact CZ3-O 3.39Å; L903-A926 HydrophobicContact CD1-CB 3.55Å; I910-A926 HydrophobicContact CD1-CB 3.61Å; V922-A926 WeakPolarHBondContact O-CB 3.24Å; V922-A926 PolarHBondContact O-N 3.49Å; A926-G928 VanDerWaalsContact C-N 3.26Å; A926-G928 PolarHBondContact O-N 3.06Å; A926-R929 PolarHBondContact O-N 2.87Å; A926-F930 VanDerWaalsContact O-CB 3.3Å; A926-F930 WeakPolarHBondContact O-CB 3.47Å; A926-F930 PolarHBondContact O-N 3.13Å
927	M	85.8	Confident	84.6	Confident	67 Å²	67	73.7 Å²	73.7	33%	0.33	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-31.3	172	-86.9	-162.7	-80.4	0	0	112.7	F899 I923 K924 E925 R931	F899-M927 HydrophobicContact CE1-CG 3.71Å; F899-M927 HydrophobicContact CE2-CG 4.09Å; F899-M927 HydrophobicContact CZ-CB 4.26Å; F899-M927 HydrophobicContact CZ-CG 3.42Å; F899-M927 VanDerWaalsContact CZ-CG 3.42Å; I923-M927 HydrophobicContact CG2-CE 4.17Å; I923-M927 WeakPolarHBondContact O-CB 3.44Å; I923-M927 PolarHBondContact O-N 2.81Å; K924-M927 WeakPolarHBondContact O-CB 3.48Å; K924-M927 PolarHBondContact O-N 3.47Å; E925-M927 VanDerWaalsContact C-N 3.34Å; E925-M927 PolarHBondContact O-N 2.87Å; M927-R931 VanDerWaalsContact O-CB 3.29Å; M927-R931 WeakPolarHBondContact O-CB 3.42Å; M927-R931 VanDerWaalsContact O-CD 3.25Å; M927-R931 WeakPolarHBondContact O-CD 3.23Å; M927-R931 WeakPolarHBondContact O-CG 3.49Å; M927-R931 PolarHBondContact O-N 2.9Å
928	G	85.2	Confident	84.9	Confident	37 Å²	37	74.5 Å²	74.5	38%	0.381	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-56.6	171.9	0	0	0	0	0	112.1	K924 E925 A926 F930 R931 T932	K924-G928 PolarHBondContact O-N 3.39Å; E925-G928 CarbonylContact O-C 3.59Å; E925-G928 WeakPolarHBondContact O-CA 3.48Å; E925-G928 PolarHBondContact O-N 2.83Å; A926-G928 VanDerWaalsContact C-N 3.26Å; A926-G928 PolarHBondContact O-N 3.06Å; G928-F930 PolarHBondContact O-N 2.85Å; G928-R931 CarbonylContact O-C 3.59Å; G928-R931 WeakPolarHBondContact O-CA 3.27Å; G928-R931 WeakPolarHBondContact O-CB 3.42Å; G928-R931 PolarHBondContact O-N 2.92Å; G928-T932 PolarHBondContact O-N 3.18Å
929	R	85.8	Confident	84.8	Confident	75 Å²	75	72.4 Å²	72.4	28%	0.283	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-39	-179.9	-67.3	180	-176.7	-146.7	9.1	112.6	W902 D913 E925 A926 R931 T932 L933	W902-R929 HydrophobicContact CH2-CB 3.68Å; W902-R929 HydrophobicContact CZ2-CB 4.31Å; D913-R929 IonicContact OD2-CZ 3.69Å; D913-R929 IonicContact OD2-NH1 2.71Å; D913-R929 PolarHBondContact OD2-NH1 2.78Å; D913-R929 IonicContact OD2-NH2 3.76Å; D913-R929 PolarHBondContact OD2-NH2 2.68Å; E925-R929 PolarHBondContact O-N 3.16Å; E925-R929 IonicContact OE1-CZ 2.7Å; E925-R929 IonicContact OE1-NE 2.69Å; E925-R929 PolarHBondContact OE1-NE 3.37Å; E925-R929 IonicContact OE1-NH2 3.44Å; E925-R929 PolarHBondContact OE1-NH2 3.2Å; A926-R929 PolarHBondContact O-N 2.87Å; R929-R931 VanDerWaalsContact C-N 3.26Å; R929-R931 PolarHBondContact O-N 3.42Å; R929-T932 PolarHBondContact O-N 3.45Å; R929-T932 PolarHBondContact O-OG1 2.83Å; R929-L933 PolarHBondContact O-N 2.97Å
930	F	88	Confident	85	Confident	25 Å²	25	71.7 Å²	71.7	11%	0.11	38%	0.376	C	S	.	.	H	α-helix	trans	-67.8	-25.6	171.8	-168.5	-105.6	0	0	0	112.6	F899 W902 A926 G928 T932 L933 R938 W941	F899-F930 HydrophobicContact CB-CD1 4.1Å; F899-F930 HydrophobicContact CB-CE1 3.83Å; F899-F930 HydrophobicContact CB-CZ 4.12Å; F899-F930 HydrophobicContact CD2-CB 3.68Å; F899-F930 AromaticContact CD2-CD1 3.61Å; F899-F930 HydrophobicContact CD2-CD1 3.61Å; F899-F930 HydrophobicContact CD2-CD2 4.04Å; F899-F930 HydrophobicContact CD2-CE1 4.2Å; F899-F930 AromaticContact CD2-CG 3.51Å; F899-F930 HydrophobicContact CD2-CG 3.51Å; F899-F930 HydrophobicContact CE2-CB 3.8Å; F899-F930 HydrophobicContact CE2-CD1 4.49Å; F899-F930 HydrophobicContact CE2-CG 4.18Å; F899-F930 HydrophobicContact CG-CD1 4.2Å; F899-F930 HydrophobicContact CG-CE1 4.43Å; F899-F930 HydrophobicContact CG-CG 4.48Å; W902-F930 HydrophobicContact CB-CD2 3.95Å; W902-F930 HydrophobicContact CB-CE2 3.82Å; W902-F930 HydrophobicContact CD2-CB 4.38Å; W902-F930 AromaticContact CD2-CD2 3.57Å; W902-F930 HydrophobicContact CD2-CD2 3.57Å; W902-F930 HydrophobicContact CD2-CE2 4.33Å; W902-F930 HydrophobicContact CD2-CG 4.42Å; W902-F930 HydrophobicContact CE3-CB 3.86Å; W902-F930 AromaticContact CE3-CD2 3.75Å; W902-F930 HydrophobicContact CE3-CD2 3.75Å; W902-F930 HydrophobicContact CE3-CG 4.19Å; W902-F930 AromaticContact CG-CD2 3.64Å; W902-F930 HydrophobicContact CG-CD2 3.64Å; W902-F930 AromaticContact CG-CE2 3.92Å; W902-F930 HydrophobicContact CG-CE2 3.92Å; W902-F930 HydrophobicContact CH2-CB 4.43Å; W902-F930 HydrophobicContact CZ3-CB 3.89Å; A926-F930 VanDerWaalsContact O-CB 3.3Å; A926-F930 WeakPolarHBondContact O-CB 3.47Å; A926-F930 PolarHBondContact O-N 3.13Å; G928-F930 PolarHBondContact O-N 2.85Å; F930-T932 VanDerWaalsContact C-N 3.35Å; F930-L933 HydrophobicContact CD2-CD1 3.62Å; F930-L933 HydrophobicContact CE2-CD1 4.03Å; F930-L933 HydrophobicContact CG-CD1 4.43Å; F930-R938 HydrophobicContact CD1-CG 4.45Å; F930-R938 HydrophobicContact CE1-CG 3.97Å; F930-R938 HydrophobicContact CE2-CG 4.05Å; F930-R938 HydrophobicContact CZ-CB 4.14Å; F930-R938 HydrophobicContact CZ-CG 3.75Å; F930-R938 VanDerWaalsContact O-CD 3.26Å; F930-R938 WeakPolarHBondContact O-CD 3.34Å; F930-R938 PolarHBondContact O-NE 3.5Å; F930-W941 HydrophobicContact CE2-CB 4.39Å
931	R	85.9	Confident	85.2	Confident	168 Å²	168	69.7 Å²	69.7	63%	0.634	36%	0.358	S	S	*	.	H	α-helix	trans	-78.9	-13.2	173.9	-76.6	170.8	-164.7	-171.9	8.8	113.9	M927 G928 R929 R938	M927-R931 VanDerWaalsContact O-CB 3.29Å; M927-R931 WeakPolarHBondContact O-CB 3.42Å; M927-R931 VanDerWaalsContact O-CD 3.25Å; M927-R931 WeakPolarHBondContact O-CD 3.23Å; M927-R931 WeakPolarHBondContact O-CG 3.49Å; M927-R931 PolarHBondContact O-N 2.9Å; G928-R931 CarbonylContact O-C 3.59Å; G928-R931 WeakPolarHBondContact O-CA 3.27Å; G928-R931 WeakPolarHBondContact O-CB 3.42Å; G928-R931 PolarHBondContact O-N 2.92Å; R929-R931 VanDerWaalsContact C-N 3.26Å; R929-R931 PolarHBondContact O-N 3.42Å; R931-R938 PolarHBondContact O-NH2 3Å
932	T	87.2	Confident	85.1	Confident	120 Å²	120	69.1 Å²	69.1	74%	0.736	36%	0.357	S	S	*	.	H	α-helix	trans	-93.1	-18.3	173.5	49.2	0	0	0	0	114.6	G928 R929 F930	G928-T932 PolarHBondContact O-N 3.18Å; R929-T932 PolarHBondContact O-N 3.45Å; R929-T932 PolarHBondContact O-OG1 2.83Å; F930-T932 VanDerWaalsContact C-N 3.35Å
933	L	84.9	Confident	84.9	Confident	36 Å²	36	73.2 Å²	73.2	19%	0.188	38%	0.376	C	S	.	.	S	Bend	trans	-55.2	154.4	170.2	-65.4	178.7	0	0	0	111.8	R929 F930 E937 R938	R929-L933 PolarHBondContact O-N 2.97Å; F930-L933 HydrophobicContact CD2-CD1 3.62Å; F930-L933 HydrophobicContact CE2-CD1 4.03Å; F930-L933 HydrophobicContact CG-CD1 4.43Å; L933-E937 HydrophobicContact CB-CB 4.43Å; L933-R938 HydrophobicContact CB-CG 3.98Å; L933-R938 HydrophobicContact CD1-CG 4.35Å; L933-R938 VanDerWaalsContact O-CZ 3.27Å; L933-R938 PolarHBondContact O-NE 2.84Å; L933-R938 VanDerWaalsContact O-NE 3.1Å; L933-R938 PolarHBondContact O-NH2 3.31Å
934	S	86.8	Confident	84.5	Confident	49 Å²	49	76.5 Å²	76.5	34%	0.343	38%	0.384	S	S	.	.			trans	-61.3	168.9	173.4	69.2	0	0	0	0	112.7	D936 E937 R938	S934-D936 VanDerWaalsContact C-N 3.29Å; S934-E937 WeakPolarHBondContact CB-OE2 3.37Å; S934-E937 PolarHBondContact N-OE2 2.88Å; S934-E937 WeakPolarHBondContact OG-CB 3.44Å; S934-E937 VanDerWaalsContact OG-CD 3.25Å; S934-E937 WeakPolarHBondContact OG-CG 3.29Å; S934-E937 PolarHBondContact OG-N 2.65Å; S934-E937 VanDerWaalsContact OG-N 3.17Å; S934-E937 PolarHBondContact OG-OE2 2.76Å; S934-R938 WeakPolarHBondContact O-CG 3.35Å; S934-R938 PolarHBondContact O-N 2.93Å; S934-R938 PolarHBondContact O-NE 2.82Å
935	A	78.7	Confident	84.1	Confident	72 Å²	72	72.2 Å²	72.2	60%	0.595	37%	0.368	S	S	*	.	H	α-helix	trans	-65.8	-36.3	175.1	0	0	0	0	0	111.8	L939	A935-L939 PolarHBondContact O-N 2.76Å; A935-L939 VanDerWaalsContact O-N 3.14Å
936	D	80.6	Confident	83.4	Confident	114 Å²	114	76.8 Å²	76.8	61%	0.61	39%	0.388	S	S	*	.	H	α-helix	trans	-78.8	-39.9	-172.7	-52.1	-41.6	0	0	0	111.4	S934 R938 L939 L940	S934-D936 VanDerWaalsContact C-N 3.29Å; D936-R938 VanDerWaalsContact C-N 3.33Å; D936-R938 PolarHBondContact O-N 3.2Å; D936-L939 WeakPolarHBondContact O-CA 3.26Å; D936-L939 VanDerWaalsContact O-CB 3.24Å; D936-L939 WeakPolarHBondContact O-CB 3.4Å; D936-L939 PolarHBondContact O-N 3.12Å; D936-L940 PolarHBondContact O-N 2.84Å
937	E	85	Confident	82.3	Confident	87 Å²	87	79.7 Å²	79.7	41%	0.407	42%	0.417	S	S	.	.	H	α-helix	trans	-58.9	-43.7	171.5	-71.9	162.9	127.2	0	0	111.7	L933 S934 L939 L940 W941	L933-E937 HydrophobicContact CB-CB 4.43Å; S934-E937 WeakPolarHBondContact CB-OE2 3.37Å; S934-E937 PolarHBondContact N-OE2 2.88Å; S934-E937 WeakPolarHBondContact OG-CB 3.44Å; S934-E937 VanDerWaalsContact OG-CD 3.25Å; S934-E937 WeakPolarHBondContact OG-CG 3.29Å; S934-E937 PolarHBondContact OG-N 2.65Å; S934-E937 VanDerWaalsContact OG-N 3.17Å; S934-E937 PolarHBondContact OG-OE2 2.76Å; E937-L939 PolarHBondContact O-N 2.67Å; E937-L940 WeakPolarHBondContact O-CB 3.24Å; E937-L940 PolarHBondContact O-N 3.24Å; E937-W941 PolarHBondContact O-N 2.84Å
938	R	85.8	Confident	80.2	Confident	80 Å²	80	84.5 Å²	84.5	30%	0.302	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-31.4	175.7	-70.3	-174.5	-110.1	-169.7	-9.2	112.2	F930 R931 L933 S934 D936 T942	F930-R938 HydrophobicContact CD1-CG 4.45Å; F930-R938 HydrophobicContact CE1-CG 3.97Å; F930-R938 HydrophobicContact CE2-CG 4.05Å; F930-R938 HydrophobicContact CZ-CB 4.14Å; F930-R938 HydrophobicContact CZ-CG 3.75Å; F930-R938 VanDerWaalsContact O-CD 3.26Å; F930-R938 WeakPolarHBondContact O-CD 3.34Å; F930-R938 PolarHBondContact O-NE 3.5Å; R931-R938 PolarHBondContact O-NH2 3Å; L933-R938 HydrophobicContact CB-CG 3.98Å; L933-R938 HydrophobicContact CD1-CG 4.35Å; L933-R938 VanDerWaalsContact O-CZ 3.27Å; L933-R938 PolarHBondContact O-NE 2.84Å; L933-R938 VanDerWaalsContact O-NE 3.1Å; L933-R938 PolarHBondContact O-NH2 3.31Å; S934-R938 WeakPolarHBondContact O-CG 3.35Å; S934-R938 PolarHBondContact O-N 2.93Å; S934-R938 PolarHBondContact O-NE 2.82Å; D936-R938 VanDerWaalsContact C-N 3.33Å; D936-R938 PolarHBondContact O-N 3.2Å; R938-T942 WeakPolarHBondContact O-CG2 3.38Å; R938-T942 PolarHBondContact O-N 2.84Å; R938-T942 VanDerWaalsContact O-N 3.13Å; R938-T942 PolarHBondContact O-OG1 2.92Å
939	L	81.1	Confident	77.9	Confident	82 Å²	82	88.3 Å²	88.3	43%	0.429	46%	0.46	S	S	.	.	H	α-helix	trans	-64.8	-51	173.5	-123	164.7	0	0	0	110.4	A935 D936 E937 W941 T942 E943	A935-L939 PolarHBondContact O-N 2.76Å; A935-L939 VanDerWaalsContact O-N 3.14Å; D936-L939 WeakPolarHBondContact O-CA 3.26Å; D936-L939 VanDerWaalsContact O-CB 3.24Å; D936-L939 WeakPolarHBondContact O-CB 3.4Å; D936-L939 PolarHBondContact O-N 3.12Å; E937-L939 PolarHBondContact O-N 2.67Å; L939-W941 VanDerWaalsContact C-N 3.32Å; L939-W941 PolarHBondContact O-N 2.9Å; L939-T942 CarbonylContact O-C 3.58Å; L939-T942 WeakPolarHBondContact O-CA 3.36Å; L939-T942 PolarHBondContact O-N 3.39Å; L939-T942 PolarHBondContact O-OG1 3.31Å; L939-E943 HydrophobicContact CD2-CG 4.31Å; L939-E943 WeakPolarHBondContact CD2-OE1 3.38Å; L939-E943 PolarHBondContact O-N 3.19Å
940	L	84.6	Confident	75.3	Confident	109 Å²	109	88.4 Å²	88.4	57%	0.571	48%	0.484	S	S	*	.	H	α-helix	trans	-54	-44.1	175	-69.3	170.1	0	0	0	112.4	D936 E937 T942 E943 R944	D936-L940 PolarHBondContact O-N 2.84Å; E937-L940 WeakPolarHBondContact O-CB 3.24Å; E937-L940 PolarHBondContact O-N 3.24Å; L940-T942 VanDerWaalsContact C-N 3.32Å; L940-T942 PolarHBondContact O-N 3.11Å; L940-E943 PolarHBondContact O-N 3.06Å; L940-E943 VanDerWaalsContact O-N 3.17Å; L940-R944 WeakPolarHBondContact O-CB 3.45Å; L940-R944 PolarHBondContact O-N 2.78Å
941	W	83.7	Confident	72.6	Confident	45 Å²	45	96 Å²	96	17%	0.17	52%	0.519	C	S	.	.	H	α-helix	trans	-63.5	-34.7	174.5	-72.5	110.6	0	0	0	112.9	G898 L901 W902 E905 F930 E937 L939 A945	G898-W941 VanDerWaalsContact CA-O 3.29Å; G898-W941 WeakPolarHBondContact CA-O 3.4Å; L901-W941 HydrophobicContact CD2-CE3 3.85Å; L901-W941 HydrophobicContact CD2-CZ3 3.64Å; W902-W941 HydrophobicContact CB-CD2 4.07Å; W902-W941 HydrophobicContact CB-CE3 4.25Å; W902-W941 HydrophobicContact CB-CG 4.25Å; W902-W941 AromaticContact CD1-CE2 3.59Å; W902-W941 AromaticContact CD1-CZ2 3.91Å; W902-W941 AromaticContact CD1-NE1 3.56Å; W902-W941 HydrophobicContact CG-CD2 4.49Å; E905-W941 WeakPolarHBondContact OE2-CH2 3.31Å; F930-W941 HydrophobicContact CE2-CB 4.39Å; E937-W941 PolarHBondContact O-N 2.84Å; L939-W941 VanDerWaalsContact C-N 3.32Å; L939-W941 PolarHBondContact O-N 2.9Å; W941-A945 VanDerWaalsContact O-CB 3.25Å; W941-A945 WeakPolarHBondContact O-CB 3.5Å; W941-A945 PolarHBondContact O-N 3.14Å; W941-A945 VanDerWaalsContact O-N 3.09Å
942	T	83.6	Confident	69.8	Low	48 Å²	48	95 Å²	95	29%	0.294	53%	0.533	S	S	.	.	H	α-helix	trans	-77.4	-16.4	173.8	63.6	0	0	0	0	114.8	R938 L939 L940 K946	R938-T942 WeakPolarHBondContact O-CG2 3.38Å; R938-T942 PolarHBondContact O-N 2.84Å; R938-T942 VanDerWaalsContact O-N 3.13Å; R938-T942 PolarHBondContact O-OG1 2.92Å; L939-T942 CarbonylContact O-C 3.58Å; L939-T942 WeakPolarHBondContact O-CA 3.36Å; L939-T942 PolarHBondContact O-N 3.39Å; L939-T942 PolarHBondContact O-OG1 3.31Å; L940-T942 VanDerWaalsContact C-N 3.32Å; L940-T942 PolarHBondContact O-N 3.11Å; T942-K946 VanDerWaalsContact O-CD 3.25Å; T942-K946 WeakPolarHBondContact O-CD 3.34Å; T942-K946 WeakPolarHBondContact O-CE 3.43Å; T942-K946 WeakPolarHBondContact O-CG 3.37Å
943	E	81.8	Confident	67.4	Low	87 Å²	87	94 Å²	94	41%	0.407	54%	0.536	S	S	.	.	H	α-helix	trans	-88	-43.5	174.2	-71.1	175.1	163.4	0	0	110.8	L939 L940 A945 K946 G947	L939-E943 HydrophobicContact CD2-CG 4.31Å; L939-E943 WeakPolarHBondContact CD2-OE1 3.38Å; L939-E943 PolarHBondContact O-N 3.19Å; L940-E943 PolarHBondContact O-N 3.06Å; L940-E943 VanDerWaalsContact O-N 3.17Å; E943-A945 VanDerWaalsContact C-N 3.27Å; E943-A945 PolarHBondContact O-N 3.46Å; E943-K946 WeakPolarHBondContact O-CA 3.49Å; E943-K946 WeakPolarHBondContact O-CB 3.35Å; E943-K946 PolarHBondContact O-N 2.79Å; E943-G947 PolarHBondContact O-N 3Å
944	R	79.9	Confident	64.8	Low	145 Å²	145	98.8 Å²	98.8	55%	0.547	56%	0.562	S	S	.	*	H	α-helix	trans	-54.2	-42.2	167.9	-177.3	169.2	169.7	147.5	-14.2	111.7	L901 E905 L940 K946 G947	L901-R944 HydrophobicContact CD2-CG 4.34Å; E905-R944 VanDerWaalsContact CD-NH2 3.26Å; E905-R944 IonicContact OE1-CZ 3.99Å; E905-R944 IonicContact OE1-NE 2.65Å; E905-R944 IonicContact OE1-NH2 2.81Å; E905-R944 PolarHBondContact OE1-NH2 3.26Å; E905-R944 IonicContact OE2-NH2 3.96Å; E905-R944 PolarHBondContact OE2-NH2 2.89Å; L940-R944 WeakPolarHBondContact O-CB 3.45Å; L940-R944 PolarHBondContact O-N 2.78Å; R944-K946 VanDerWaalsContact C-N 3.27Å; R944-K946 PolarHBondContact O-N 3.07Å; R944-G947 PolarHBondContact O-N 3.36Å
945	A	78.3	Confident	62.1	Low	19 Å²	19	101.3 Å²	101.3	16%	0.157	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-9.2	175.4	0	0	0	0	0	115.1	L901 W941 E943	L901-A945 HydrophobicContact CB-CB 4.39Å; L901-A945 HydrophobicContact CD1-CB 3.93Å; W941-A945 VanDerWaalsContact O-CB 3.25Å; W941-A945 WeakPolarHBondContact O-CB 3.5Å; W941-A945 PolarHBondContact O-N 3.14Å; W941-A945 VanDerWaalsContact O-N 3.09Å; E943-A945 VanDerWaalsContact C-N 3.27Å; E943-A945 PolarHBondContact O-N 3.46Å
946	K	72.8	Confident	59.6	Low	148 Å²	148	105.3 Å²	105.3	64%	0.643	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-1.6	173.1	-75.5	168.8	-170.9	164.9	0	113.7	T942 E943 R944 Q948	T942-K946 VanDerWaalsContact O-CD 3.25Å; T942-K946 WeakPolarHBondContact O-CD 3.34Å; T942-K946 WeakPolarHBondContact O-CE 3.43Å; T942-K946 WeakPolarHBondContact O-CG 3.37Å; E943-K946 WeakPolarHBondContact O-CA 3.49Å; E943-K946 WeakPolarHBondContact O-CB 3.35Å; E943-K946 PolarHBondContact O-N 2.79Å; R944-K946 VanDerWaalsContact C-N 3.27Å; R944-K946 PolarHBondContact O-N 3.07Å; K946-Q948 VanDerWaalsContact C-N 3.32Å; K946-Q948 PolarHBondContact O-N 3.06Å
947	G	63.5	Low	57.1	Low	61 Å²	61	108.1 Å²	108.1	63%	0.629	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.6	14.8	176	0	0	0	0	0	115.7	E943 R944 S949	E943-G947 PolarHBondContact O-N 3Å; R944-G947 PolarHBondContact O-N 3.36Å; G947-S949 PolarHBondContact O-N 3.46Å; G947-S949 VanDerWaalsContact O-N 3.13Å
948	Q	41.5	Very low	54.4	Low	168 Å²	168	114.8 Å²	114.8	79%	0.785	61%	0.607	S	S	*	*			trans	-82.9	86.1	173.1	-79.1	-168.1	-41.4	0	0	111.3	K946	K946-Q948 VanDerWaalsContact C-N 3.32Å; K946-Q948 PolarHBondContact O-N 3.06Å
949	S	36.7	Very low	51.6	Low	117 Å²	117	119 Å²	119	82%	0.818	63%	0.628	S	S	*	*			trans	-120.9	71.7	164.6	60.4	0	0	0	0	110.2	G947	G947-S949 PolarHBondContact O-N 3.46Å; G947-S949 VanDerWaalsContact O-N 3.13Å
950	G	31.2	Very low	48.9	Very low	76 Å²	76	125.4 Å²	125.4	78%	0.784	65%	0.646	S	S	*	*			trans	-89	101.8	171.7	0	0	0	0	0	111
951	E	31	Very low	46.2	Very low	184 Å²	184	123.5 Å²	123.5	86%	0.86	65%	0.646	S	S	*	*			trans	37.5	106.7	164.2	-60.1	-168.6	123.5	0	0	119.5
952	T	27.6	Very low	43.5	Very low	149 Å²	149	128.9 Å²	128.9	91%	0.914	67%	0.673	S	S	*	*			trans	-114.9	98.1	148.4	55.4	0	0	0	0	109.8
953	A	37.6	Very low	40.8	Very low	97 Å²	97	132.9 Å²	132.9	80%	0.802	69%	0.693	S	S	*	*			trans	-92.6	115.5	171.2	0	0	0	0	0	110.5
954	D	30.3	Very low	38.2	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	71%	0.711	S	S	*	*			trans	-158	163.4	170.8	-153.6	-6.9	0	0	0	114.6	K956	D954-K956 IonicContact OD1-NZ 3.19Å; D954-K956 PolarHBondContact OD1-NZ 3.39Å
955	V	28.6	Very low	35.9	Very low	103 Å²	103	133.9 Å²	133.9	62%	0.624	72%	0.718	S	S	*	*			trans	70.3	74.9	161.2	-157	0	0	0	0	120.1
956	K	27.4	Very low	33.5	Very low	155 Å²	155	138.8 Å²	138.8	67%	0.674	75%	0.746	S	S	*	*				50.8	122.8	111.6	-58.6	169.8	-171.1	84.5	0	121.5	D954	D954-K956 IonicContact OD1-NZ 3.19Å; D954-K956 PolarHBondContact OD1-NZ 3.39Å
957	K	27.1	Very low	31.5	Very low	174 Å²	174	140.2 Å²	140.2	76%	0.757	76%	0.755	S	S	*	*				93.7	135.2	127	-81.9	178	176.8	174.9	0	122.6
958	R	28.1	Very low	29.8	Very low	227 Å²	227	141.6 Å²	141.6	86%	0.857	76%	0.755	S	S	*	*			trans	81	138.5	150.4	-75.1	166.7	174.5	175	-3.7	116.6
959	K	27.2	Very low	29.2	Very low	169 Å²	169	141 Å²	141	74%	0.735	76%	0.757	S	S	*	*			cis	-169.4	142.2	0.6	173.4	-170.9	-178.9	-171.1	0	112.4
960	R	25.4	Very low	28.9	Very low	216 Å²	216	143.1 Å²	143.1	82%	0.815	75%	0.754	S	S	*	*			trans	68.6	156.2	165.9	-100.5	-175.8	174.4	167.8	-3.4	116.7
961	A	27.6	Very low	28.6	Very low	69 Å²	69	143.9 Å²	143.9	57%	0.57	75%	0.747	S	S	*	*			cis	-141.7	172.3	1.2	0	0	0	0	0	112.4
962	E	26.5	Very low	28.5	Very low	158 Å²	158	142.4 Å²	142.4	74%	0.738	75%	0.745	S	S	*	*			trans	27.8	130.9	153	-72.7	133.7	-129.6	0	0	120.4
963	N	27.3	Very low	28.6	Very low	132 Å²	132	138.6 Å²	138.6	71%	0.706	73%	0.729	S	S	*	*			cis	-161.6	-162.5	-5	-127.1	27.2	0	0	0	108.6
964	E	27.8	Very low	28.4	Very low	169 Å²	169	145.1 Å²	145.1	79%	0.79	73%	0.733	S	S	*	*			cis	-144.3	-83.7	11.7	-167.7	126.2	-71.2	0	0	114
965	A	29.6	Very low	28.7	Very low	84 Å²	84	147.7 Å²	147.7	69%	0.694	74%	0.738	S	S	*	*			trans	-153.3	170.8	-163.8	0	0	0	0	0	110.9
966	V	29.2	Very low	28.9	Very low	121 Å²	121	151.3 Å²	151.3	73%	0.733	75%	0.745	S	S	*	*			cis	-149.1	155.4	30.9	166.2	0	0	0	0	111.3
967	E	29.7	Very low	29	Very low	178 Å²	178	150.3 Å²	150.3	83%	0.832	75%	0.746	S	S	*	*			trans	3.6	160.1	154.8	-65.1	169.2	156	0	0	122.3
968	S	28.9	Very low	29.1	Very low	90 Å²	90	146.5 Å²	146.5	63%	0.629	74%	0.742	S	S	*	*			cis	-176.8	153.7	-8.5	49.7	0	0	0	0	111.7
969	D	28.8	Very low	29.2	Very low	156 Å²	156	140.3 Å²	140.3	83%	0.834	73%	0.733	S	S	*	*			trans	52.8	168.9	143.8	-64.8	-32.6	0	0	0	121.4
970	E	29.7	Very low	29.3	Very low	162 Å²	162	140.7 Å²	140.7	76%	0.757	74%	0.742	S	S	*	*			cis	-153.5	170.5	-2.7	-141.2	-154	134.1	0	0	112.6
971	S	26.1	Very low	29.8	Very low	92 Å²	92	137.5 Å²	137.5	64%	0.643	74%	0.741	S	S	*	*			trans	67.5	144.6	156.5	75.4	0	0	0	0	119.6
972	N	27.3	Very low	30.7	Very low	153 Å²	153	139 Å²	139	82%	0.818	75%	0.745	S	S	*	*			cis	79.8	138.4	36	-77	-47	0	0	0	115.6
973	A	31.3	Very low	30.9	Very low	69 Å²	69	136.5 Å²	136.5	57%	0.57	75%	0.745	S	S	*	*			cis	-175.2	158.5	-12	0	0	0	0	0	114.7
974	R	33.3	Very low	31.1	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.879	74%	0.743	S	S	*	*			trans	69	162.4	147.8	-74.5	159.2	178.5	175.8	-1.7	117.5
975	K	35.2	Very low	31.3	Very low	192 Å²	192	135.8 Å²	135.8	84%	0.835	75%	0.745	S	S	*	*			cis	-155.8	168	19.5	-119	147	-179.5	177.9	0	107.5
976	K	33.1	Very low	31.5	Very low	179 Å²	179	139.6 Å²	139.6	78%	0.778	75%	0.753	S	S	*	*			cis	-138.1	-100.9	-3.8	-167.8	-179.2	136.8	-170.6	0	109.9
977	L	30	Very low	31.5	Very low	133 Å²	133	139.1 Å²	139.1	70%	0.696	76%	0.755	S	S	*	*			cis	-147	-170.7	-31.2	-126.9	163.4	0	0	0	110
978	S	28.9	Very low	31.8	Very low	95 Å²	95	134.9 Å²	134.9	66%	0.664	75%	0.75	S	S	*	*			trans	-78.3	162.9	-168.4	43.7	0	0	0	0	118
979	S	29.8	Very low	31.9	Very low	96 Å²	96	141 Å²	141	67%	0.671	77%	0.766	S	S	*	*			cis	-176.8	152.7	-5.8	47.4	0	0	0	0	115.3
980	L	30.2	Very low	32.2	Very low	177 Å²	177	137.1 Å²	137.1	93%	0.927	76%	0.755	S	S	*	*			trans	77.5	161	145.8	-73.1	165.2	0	0	0	122
981	D	34.5	Very low	32.4	Very low	150 Å²	150	139.5 Å²	139.5	80%	0.802	76%	0.763	S	S	*	*			trans	-122.5	-173.7	-161.8	-132.1	-16.1	0	0	0	108.9
982	P	47	Very low	32.6	Very low	99 Å²	99	140.2 Å²	140.2	64%	0.643	77%	0.769	S	S	*	*			cis	-142.1	176.6	-5.7	41.4	-22.3	0	0	0	118
983	S	32	Very low	33.2	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	77%	0.768	S	S	*	*			trans	74.2	147.8	153.8	88.8	0	0	0	0	117.3
984	S	31.5	Very low	33.6	Very low	94 Å²	94	149.7 Å²	149.7	66%	0.657	80%	0.801	S	S	*	*			cis	-163.9	-173.9	-2.8	38.8	0	0	0	0	108.1
985	K	30.7	Very low	33.6	Very low	192 Å²	192	145.6 Å²	145.6	84%	0.835	80%	0.797	S	S	*	*			cis	-157.8	170.1	34.5	-67.5	178.7	-178.4	177.1	0	114.5
986	L	33.5	Very low	33.5	Very low	163 Å²	163	143.1 Å²	143.1	85%	0.853	80%	0.795	S	S	*	*			trans	-53.6	171.1	161.3	-68.6	161.7	0	0	0	115
987	S	29.3	Very low	33.5	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	80%	0.796	S	S	*	*			cis	-163.7	166.4	10.9	18.5	0	0	0	0	112.1
988	A	36.1	Very low	33.7	Very low	88 Å²	88	141.6 Å²	141.6	73%	0.727	80%	0.802	S	S	*	*			trans	-98.4	156.2	160.9	0	0	0	0	0	111.9
989	F	31.4	Very low	34	Very low	220 Å²	220	144.5 Å²	144.5	97%	0.965	81%	0.81	S	S	*	*			trans	-176.9	179.6	136.3	-110.5	-74.4	0	0	0	111.1
990	A	35.8	Very low	34.3	Very low	73 Å²	73	147.7 Å²	147.7	60%	0.603	82%	0.82	S	S	*	*			trans	-137	170.1	-167.1	0	0	0	0	0	113.9
991	F	33.6	Very low	34.6	Very low	212 Å²	212	145.6 Å²	145.6	93%	0.93	81%	0.812	S	S	*	*			trans	66.5	139.6	-179.7	-62.9	-87	0	0	0	114.4
992	S	30.6	Very low	34.6	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	81%	0.813	S	S	*	*			cis	-161.9	-177.2	34.3	55.1	0	0	0	0	112.8
993	K	40.1	Very low	33.6	Very low	186 Å²	186	149.2 Å²	149.2	81%	0.809	83%	0.827	S	S	*	*			trans	-9.1	139	166.7	-59.9	178	179.3	179	0	117.1
994	N	38.6	Very low	33.7	Very low	235 Å²	235	153 Å²	153	100%	1.257	83%	0.834	S	S	*	*			cis	-131	0	47	-70.8	-43.6	0	0	0	115.1

Retrieved 994 of 994 residues in 146.2 ms (Link to these results)

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