A0A3Q0KCV9_SCHMA Loading...

PIH1 domain-containing protein 1

Involved in the assembly of C/D box small nucleolar ribonucleoprotein (snoRNP) particles. Recruits the SWI/SNF complex to the core promoter of rRNA genes and enhances pre-rRNA transcription. Mediates interaction of TELO2 with the R2TP complex which is necessary for the stability of MTOR and SMG1. Positively regulates the assembly and activity of the mTORC1 complex.

AlphaFold DB , UniProt , Accession A0A3Q0KCV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 279 aa.

Structure Viewer

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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	38.4	Very low	37.6	Very low	100 Å²	100	46.5 Å²	46.5	49%	0.493	25%	0.25	S	S	.	.				0	129.8	0	-168.4	172.6	-86.2	0	0	107.2	D5 I69 D70	M1-D5 WeakPolarHBondContact CA-OD2 3.39Å; M1-D5 HydrophobicContact CG-CB 3.56Å; M1-D5 VanDerWaalsContact CG-OD2 3.29Å; M1-D5 WeakPolarHBondContact CG-OD2 3.24Å; M1-D5 HydrophobicContact SD-CB 4.31Å; M1-I69 HydrophobicContact CB-CG2 4.09Å; M1-I69 HydrophobicContact CG-CG2 4.06Å; M1-I69 HydrophobicContact SD-CG2 3.81Å; M1-D70 WeakPolarHBondContact CB-OD1 3.48Å
2	G	36.7	Very low	37.1	Very low	31 Å²	31	50.3 Å²	50.3	32%	0.32	27%	0.265	S	S	.	.			trans	-83.1	157.6	170.9	0	0	0	0	0	109.4	F4 D5	G2-F4 PolarHBondContact O-N 2.81Å; G2-D5 PolarHBondContact N-OD2 2.56Å; G2-D5 VanDerWaalsContact N-OD2 3.15Å; G2-D5 PolarHBondContact O-N 3.06Å
3	I	42.2	Very low	36.6	Very low	28 Å²	28	57.2 Å²	57.2	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-56.3	-23.2	170.8	-75.1	164.3	0	0	0	110.1	D5 I6 V7 L66 F119 T122 V123	I3-D5 PolarHBondContact O-N 3.23Å; I3-I6 VanDerWaalsContact O-CB 3.27Å; I3-I6 WeakPolarHBondContact O-CB 3.14Å; I3-I6 PolarHBondContact O-N 2.89Å; I3-I6 VanDerWaalsContact O-N 3.11Å; I3-V7 HydrophobicContact CG2-CG2 4.34Å; I3-V7 PolarHBondContact O-N 3.13Å; I3-L66 HydrophobicContact CD1-CD2 4.05Å; I3-L66 HydrophobicContact CG1-CD2 4.36Å; I3-F119 HydrophobicContact CG2-CD2 4.36Å; I3-F119 HydrophobicContact CG2-CE2 3.68Å; I3-F119 HydrophobicContact CG2-CZ 4.26Å; I3-T122 HydrophobicContact CB-CG2 4.49Å; I3-T122 HydrophobicContact CD1-CG2 3.79Å; I3-V123 HydrophobicContact CG2-CG2 3.49Å; I3-V123 VanDerWaalsContact CG2-CG2 3.49Å
4	F	40.2	Very low	36.1	Very low	40 Å²	40	64 Å²	64	18%	0.175	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-32.2	171.7	-127.1	-110.1	0	0	0	117.2	G2 I6 V7 V123 E126 N130	G2-F4 PolarHBondContact O-N 2.81Å; F4-I6 PolarHBondContact O-N 2.95Å; F4-I6 VanDerWaalsContact O-N 3.14Å; F4-V7 PolarHBondContact O-N 3.44Å; F4-V7 VanDerWaalsContact O-N 3.14Å; F4-V123 WeakPolarHBondContact CE2-O 3.22Å; F4-E126 HydrophobicContact CB-CB 4.29Å; F4-E126 WeakPolarHBondContact CB-OE2 3.46Å; F4-E126 HydrophobicContact CD2-CB 3.15Å; F4-E126 HydrophobicContact CD2-CG 4.31Å; F4-E126 VanDerWaalsContact CE2-C 3.43Å; F4-E126 HydrophobicContact CE2-CB 3.72Å; F4-E126 HydrophobicContact CG-CB 3.85Å; F4-E126 PolarHBondContact N-OE2 2.59Å; F4-N130 HydrophobicContact CD1-CB 4.34Å; F4-N130 HydrophobicContact CE1-CB 3.86Å; F4-N130 HydrophobicContact CZ-CB 4.46Å
5	D	39.2	Very low	35.5	Very low	58 Å²	58	71 Å²	71	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-21.5	174.9	-68.1	-46.6	0	0	0	110.8	M1 G2 I3	M1-D5 WeakPolarHBondContact CA-OD2 3.39Å; M1-D5 HydrophobicContact CG-CB 3.56Å; M1-D5 VanDerWaalsContact CG-OD2 3.29Å; M1-D5 WeakPolarHBondContact CG-OD2 3.24Å; M1-D5 HydrophobicContact SD-CB 4.31Å; G2-D5 PolarHBondContact N-OD2 2.56Å; G2-D5 VanDerWaalsContact N-OD2 3.15Å; G2-D5 PolarHBondContact O-N 3.06Å; I3-D5 PolarHBondContact O-N 3.23Å
6	I	37.2	Very low	35.2	Very low	11 Å²	11	72.4 Å²	72.4	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-89	-26.8	178.4	-73.3	173.3	0	0	0	112.2	I3 F4 I69 P74 F75 K76	I3-I6 VanDerWaalsContact O-CB 3.27Å; I3-I6 WeakPolarHBondContact O-CB 3.14Å; I3-I6 PolarHBondContact O-N 2.89Å; I3-I6 VanDerWaalsContact O-N 3.11Å; F4-I6 PolarHBondContact O-N 2.95Å; F4-I6 VanDerWaalsContact O-N 3.14Å; I6-I69 HydrophobicContact CD1-CG2 3.66Å; I6-P74 HydrophobicContact CB-CB 3.88Å; I6-P74 HydrophobicContact CG1-CB 3.86Å; I6-P74 VanDerWaalsContact CG2-CA 3.49Å; I6-P74 HydrophobicContact CG2-CB 3.61Å; I6-F75 WeakPolarHBondContact CG2-O 3.37Å; I6-K76 WeakPolarHBondContact O-CG 3.34Å
7	V	35.2	Very low	35.2	Very low	4 Å²	4	80.4 Å²	80.4	2%	0.024	42%	0.416	C	S	.	.			trans	-118.9	73.8	-172	-166.5	0	0	0	0	111.9	I3 F4 F119 V123	I3-V7 HydrophobicContact CG2-CG2 4.34Å; I3-V7 PolarHBondContact O-N 3.13Å; F4-V7 PolarHBondContact O-N 3.44Å; F4-V7 VanDerWaalsContact O-N 3.14Å; V7-F119 HydrophobicContact CG2-CZ 4.38Å; V7-V123 HydrophobicContact CB-CG1 4.11Å; V7-V123 HydrophobicContact CB-CG2 4.49Å; V7-V123 HydrophobicContact CG1-CG1 3.66Å; V7-V123 HydrophobicContact CG2-CG1 4.23Å; V7-V123 HydrophobicContact CG2-CG2 3.78Å
8	K	31.5	Very low	35.8	Very low	64 Å²	64	78.9 Å²	78.9	28%	0.278	41%	0.406	S	S	.	.			trans	-94.5	122.7	163.1	-37.4	178.3	153.3	-162.2	0	110.4	A164 I165	K8-A164 HydrophobicContact CB-CB 3.32Å; K8-A164 VanDerWaalsContact CD-CA 3.48Å; K8-A164 HydrophobicContact CD-CB 3.6Å; K8-A164 HydrophobicContact CG-CB 3.58Å; K8-I165 VanDerWaalsContact CD-N 3.32Å; K8-I165 WeakPolarHBondContact CE-O 3.06Å; K8-I165 PolarHBondContact NZ-O 2.96Å
9	D	38.5	Very low	36.5	Very low	66 Å²	66	79.1 Å²	79.1	35%	0.353	42%	0.415	S	S	.	.			trans	-155.4	87.7	149.9	-89	-30.7	0	0	0	106.5
10	E	38	Very low	37.3	Very low	43 Å²	43	78.7 Å²	78.7	20%	0.201	42%	0.419	C	S	.	.			trans	-115.2	123.6	170.5	-75.7	-173.8	-179.1	0	0	109.4	N130 R162	E10-N130 PolarHBondContact OE1-ND2 3.45Å; E10-R162 VanDerWaalsContact O-CD 3.23Å; E10-R162 WeakPolarHBondContact O-CD 3.48Å; E10-R162 PolarHBondContact O-NH1 2.78Å
11	V	36	Very low	38.5	Very low	66 Å²	66	77.6 Å²	77.6	40%	0.4	41%	0.413	S	S	.	.			trans	-93	111.7	171.8	-177.5	0	0	0	0	108.3	R158	V11-R158 HydrophobicContact CG1-CB 3.9Å; V11-R158 HydrophobicContact CG1-CG 3.6Å
12	H	32.2	Very low	40	Very low	92 Å²	92	77.5 Å²	77.5	43%	0.426	41%	0.413	S	S	.	.			trans	-101.4	141.6	176.2	-117.3	46.6	0	0	0	111.1	R158	H12-R158 PolarHBondContact O-NH1 3.08Å; H12-R158 PolarHBondContact O-NH2 2.77Å
13	I	30.5	Very low	41.8	Very low	141 Å²	141	76 Å²	76	72%	0.723	40%	0.398	S	S	*	.			trans	-83.7	119.1	-174.3	-59.8	158.4	0	0	0	110.9
14	Q	29.6	Very low	43.6	Very low	152 Å²	152	79.3 Å²	79.3	71%	0.71	42%	0.419	S	S	*	.			trans	-150.5	130.5	156.1	-67.1	-163.7	1.2	0	0	110.6	T16 R158	Q14-T16 PolarHBondContact O-N 3.23Å; Q14-R158 PolarHBondContact O-NH2 2.95Å
15	N	27.8	Very low	45.9	Very low	169 Å²	169	77.9 Å²	77.9	90%	0.904	41%	0.414	S	S	*	.			trans	-57.4	99.1	-177.6	-85.3	-20.8	0	0	0	113.7
16	T	29.5	Very low	48.5	Very low	93 Å²	93	80.6 Å²	80.6	57%	0.571	43%	0.429	S	S	*	.	S	Bend	trans	-141.4	154	155.3	51.6	0	0	0	0	108	Q14 H18	Q14-T16 PolarHBondContact O-N 3.23Å; T16-H18 PolarHBondContact O-CD2 2.94Å; T16-H18 PolarHBondContact O-N 3.16Å; T16-H18 PolarHBondContact OG1-CD2 3.3Å; T16-H18 VanDerWaalsContact OG1-CD2 3.22Å; T16-H18 PolarHBondContact OG1-NE2 3.3Å
17	Q	36	Very low	51.3	Low	209 Å²	209	82.5 Å²	82.5	98%	0.977	44%	0.443	S	S	*	.	S	Bend	trans	-62.9	56.6	-164.6	-69.2	176.8	-26.7	0	0	116.5
18	H	45.9	Very low	54.1	Low	54 Å²	54	82.7 Å²	82.7	25%	0.25	45%	0.445	C	S	.	.			trans	-100.8	132.8	175.2	-58.7	-87	0	0	0	110.1	T16 S20	T16-H18 PolarHBondContact O-CD2 2.94Å; T16-H18 PolarHBondContact O-N 3.16Å; T16-H18 PolarHBondContact OG1-CD2 3.3Å; T16-H18 VanDerWaalsContact OG1-CD2 3.22Å; T16-H18 PolarHBondContact OG1-NE2 3.3Å; H18-S20 PolarHBondContact O-N 2.73Å; H18-S20 PolarHBondContact O-OG 3.16Å
19	S	48.3	Very low	57.2	Low	82 Å²	82	80.6 Å²	80.6	57%	0.573	44%	0.436	S	S	*	.			trans	-56.4	122.9	173.3	38.4	0	0	0	0	109.3	T159	S19-T159 WeakPolarHBondContact O-CG2 3.25Å; S19-T159 PolarHBondContact O-N 2.94Å; S19-T159 PolarHBondContact O-OG1 3.46Å; S19-T159 VanDerWaalsContact O-OG1 3.04Å; S19-T159 PolarHBondContact OG-OG1 2.8Å
20	S	53.1	Low	59.9	Low	70 Å²	70	77.4 Å²	77.4	49%	0.49	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.1	174.9	-49.1	0	0	0	0	108.3	H18 C156 I157	H18-S20 PolarHBondContact O-N 2.73Å; H18-S20 PolarHBondContact O-OG 3.16Å; S20-C156 WeakPolarHBondContact CB-SG 3.39Å; S20-I157 CarbonylContact C-O 3.44Å; S20-I157 VanDerWaalsContact CA-O 3.32Å; S20-I157 WeakPolarHBondContact CA-O 3.43Å
21	I	63.5	Low	62.8	Low	57 Å²	57	75.4 Å²	75.4	29%	0.292	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.2	175.2	57	174.7	0	0	0	109.2	K50 I157 T159	I21-K50 HydrophobicContact CD1-CB 4.37Å; I21-K50 HydrophobicContact CD1-CD 4.26Å; I21-I157 HydrophobicContact CG1-CB 4.17Å; I21-I157 HydrophobicContact CG1-CG2 4.44Å; I21-I157 WeakPolarHBondContact CG1-O 3.48Å; I21-I157 PolarHBondContact N-O 2.94Å; I21-I157 PolarHBondContact O-N 3.39Å; I21-T159 HydrophobicContact CG1-CG2 4.37Å; I21-T159 HydrophobicContact CG2-CG2 3.71Å
22	I	70.1	Confident	65.7	Low	97 Å²	97	76.1 Å²	76.1	50%	0.497	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.1	169	-59.2	174	0	0	0	107.7	K50 E154	I22-K50 PolarHBondContact O-NZ 3.24Å; I22-E154 HydrophobicContact CG2-CB 4.07Å
23	I	73.3	Confident	68.8	Low	0 Å²	0	72 Å²	72	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.8	170.3	-59	-163.5	0	0	0	108.5	P25 S48 K50 V51 I101 E154 Q155 I157	I23-P25 HydrophobicContact CG2-CB 4.39Å; I23-S48 WeakPolarHBondContact CG2-OG 3.37Å; I23-K50 HydrophobicContact CD1-CB 3.52Å; I23-K50 HydrophobicContact CD1-CD 4.2Å; I23-K50 HydrophobicContact CG1-CB 4.07Å; I23-K50 HydrophobicContact CG1-CD 3.78Å; I23-V51 HydrophobicContact CD1-CG2 4.34Å; I23-I101 HydrophobicContact CB-CD1 4.46Å; I23-I101 HydrophobicContact CG2-CD1 3.94Å; I23-E154 WeakPolarHBondContact O-CA 3.29Å; I23-Q155 PolarHBondContact N-O 3.2Å; I23-Q155 PolarHBondContact O-N 3.26Å; I23-I157 HydrophobicContact CB-CD1 4.13Å; I23-I157 HydrophobicContact CD1-CB 4.46Å; I23-I157 HydrophobicContact CD1-CD1 3.09Å; I23-I157 HydrophobicContact CD1-CG1 4.35Å; I23-I157 HydrophobicContact CG1-CD1 3.57Å
24	V	80.5	Confident	71.9	Confident	97 Å²	97	69.1 Å²	69.1	59%	0.588	37%	0.371	S	S	*	.			trans	-102.3	108.7	165	-173.5	0	0	0	0	106.2	E154	V24-E154 HydrophobicContact CG2-CG 4.07Å
25	P	88.8	Confident	74.9	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.071	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-91.7	152	-171.5	36.4	-36.7	0	0	0	112.9	I23 C46 T47 I101 P152	I23-P25 HydrophobicContact CG2-CB 4.39Å; P25-C46 HydrophobicContact CB-CB 3.82Å; P25-C46 HydrophobicContact CG-CB 4.2Å; P25-T47 WeakPolarHBondContact CA-O 3.28Å; P25-I101 HydrophobicContact CB-CB 4.48Å; P25-I101 HydrophobicContact CB-CD1 3.71Å; P25-I101 HydrophobicContact CB-CG1 3.75Å; P25-I101 HydrophobicContact CB-CG2 3.92Å; P25-I101 HydrophobicContact CG-CD1 3.75Å; P25-I101 HydrophobicContact CG-CG1 3.98Å; P25-P152 HydrophobicContact CG-CB 3.75Å
26	D	93.3	Very high	77.9	Confident	115 Å²	115	60.3 Å²	60.3	62%	0.615	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.6	173.2	-68.8	-57.2	0	0	0	110.8	G28 C46 T47	D26-G28 PolarHBondContact O-N 3.38Å; D26-C46 CarbonylContact O-C 3.15Å; D26-C46 WeakPolarHBondContact O-CA 3.38Å; D26-C46 VanDerWaalsContact O-CB 3.28Å; D26-C46 WeakPolarHBondContact O-CB 3.42Å; D26-T47 PolarHBondContact N-O 2.91Å; D26-T47 PolarHBondContact O-N 2.92Å
27	S	95	Very high	80.8	Confident	51 Å²	51	62.2 Å²	62.2	36%	0.357	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.5	178.8	-61.1	0	0	0	0	112.2	P152	S27-P152 WeakPolarHBondContact OG-CG 3.15Å
28	G	95.3	Very high	83.4	Confident	7 Å²	7	57.1 Å²	57.1	7%	0.072	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-100.6	172.9	0	0	0	0	0	112.7	D26 I45 Y107 K147	D26-G28 PolarHBondContact O-N 3.38Å; G28-I45 CarbonylContact C-O 3.57Å; G28-I45 WeakPolarHBondContact CA-O 3.25Å; G28-I45 PolarHBondContact N-O 3.44Å; G28-Y107 WeakPolarHBondContact CA-OH 3.4Å; G28-K147 VanDerWaalsContact O-CB 3.29Å; G28-K147 WeakPolarHBondContact O-CB 3.37Å; G28-K147 WeakPolarHBondContact O-CG 3.29Å
29	F	96	Very high	85.5	Confident	20 Å²	20	60.1 Å²	60.1	9%	0.088	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.4	177.8	64.6	-93.9	0	0	0	111.6	V31 I45 Y107 V110 K111 M121 V142 K147	F29-V31 HydrophobicContact CD2-CG2 3.74Å; F29-V31 HydrophobicContact CE2-CG2 3.49Å; F29-V31 VanDerWaalsContact CE2-CG2 3.49Å; F29-I45 HydrophobicContact CD1-CB 4.21Å; F29-I45 HydrophobicContact CD2-CB 4.29Å; F29-I45 HydrophobicContact CD2-CG1 3.96Å; F29-I45 HydrophobicContact CE1-CB 3.97Å; F29-I45 HydrophobicContact CE1-CG1 4.21Å; F29-I45 HydrophobicContact CE1-CG2 3.96Å; F29-I45 HydrophobicContact CE2-CB 4.08Å; F29-I45 HydrophobicContact CE2-CG1 3.48Å; F29-I45 VanDerWaalsContact CE2-CG1 3.48Å; F29-I45 HydrophobicContact CG-CB 4.36Å; F29-I45 HydrophobicContact CZ-CB 3.91Å; F29-I45 HydrophobicContact CZ-CG1 3.62Å; F29-I45 HydrophobicContact CZ-CG2 4.07Å; F29-I45 PolarHBondContact N-O 3.06Å; F29-I45 VanDerWaalsContact N-O 3.15Å; F29-I45 PolarHBondContact O-N 2.82Å; F29-Y107 HydrophobicContact CD1-CD2 4.38Å; F29-Y107 AromaticContact CD1-CE2 3.38Å; F29-Y107 HydrophobicContact CD1-CE2 3.38Å; F29-Y107 AromaticContact CD1-CZ 3.79Å; F29-Y107 HydrophobicContact CE1-CD2 4.12Å; F29-Y107 AromaticContact CE1-CE2 3.54Å; F29-Y107 HydrophobicContact CE1-CE2 3.54Å; F29-Y107 PolarHBondContact N-OH 3.34Å; F29-V110 HydrophobicContact CE1-CG1 4.32Å; F29-V110 HydrophobicContact CZ-CG1 4.2Å; F29-K111 HydrophobicContact CE1-CG 4.47Å; F29-M121 HydrophobicContact CE2-CE 4.11Å; F29-M121 HydrophobicContact CZ-CE 4.05Å; F29-V142 HydrophobicContact CB-CG1 4.35Å; F29-V142 HydrophobicContact CD2-CG1 3.81Å; F29-V142 HydrophobicContact CD2-CG2 4.44Å; F29-V142 HydrophobicContact CE2-CG1 4.49Å; F29-V142 HydrophobicContact CE2-CG2 4.37Å; F29-V142 HydrophobicContact CG-CG1 4.31Å; F29-K147 CarbonylContact C-O 3.52Å; F29-K147 WeakPolarHBondContact CA-O 3.41Å
30	C	96.4	Very high	87.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.7	-179.4	-174.5	0	0	0	0	110.2	N44 L143 K146 K147	C30-N44 PolarHBondContact SG-OD1 3.34Å; C30-L143 HydrophobicContact CB-CB 4.45Å; C30-L143 HydrophobicContact CB-CD1 4.09Å; C30-L143 HydrophobicContact CB-CG 4.45Å; C30-L143 WeakPolarHBondContact O-CB 3.46Å; C30-L143 WeakPolarHBondContact O-CG 3.44Å; C30-L143 PolarHBondContact O-N 3.14Å; C30-K146 HydrophobicContact CB-CG 4.47Å; C30-K146 WeakPolarHBondContact CB-O 3.48Å; C30-K147 PolarHBondContact N-O 2.9Å
31	V	97.7	Very high	89.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.9	176.9	-179.8	0	0	0	0	108.6	F29 F42 V43 I45 M121 F125 W140 V142	F29-V31 HydrophobicContact CD2-CG2 3.74Å; F29-V31 HydrophobicContact CE2-CG2 3.49Å; F29-V31 VanDerWaalsContact CE2-CG2 3.49Å; V31-F42 CarbonylContact O-C 3.52Å; V31-F42 VanDerWaalsContact O-CA 3.25Å; V31-F42 WeakPolarHBondContact O-CA 3.15Å; V31-V43 HydrophobicContact CB-CB 4.41Å; V31-V43 PolarHBondContact N-O 2.82Å; V31-V43 PolarHBondContact O-N 2.84Å; V31-I45 HydrophobicContact CG2-CG1 4.22Å; V31-M121 HydrophobicContact CB-SD 4.48Å; V31-M121 HydrophobicContact CG1-SD 4.22Å; V31-M121 HydrophobicContact CG2-CE 4.39Å; V31-M121 HydrophobicContact CG2-SD 3.76Å; V31-F125 HydrophobicContact CG1-CZ 4.41Å; V31-W140 HydrophobicContact CG1-CB 3.6Å; V31-W140 HydrophobicContact CG1-CG 3.92Å; V31-V142 HydrophobicContact CG2-CG2 4.42Å
32	K	96.4	Very high	91.2	Very high	82 Å²	82	54 Å²	54	36%	0.357	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133	173.3	178.4	-175.1	172.1	-167.8	0	109.5	F42 W140 T141 L143	K32-F42 HydrophobicContact CB-CD1 3.91Å; K32-F42 HydrophobicContact CB-CE1 3.67Å; K32-F42 HydrophobicContact CD-CE1 3.9Å; K32-F42 HydrophobicContact CD-CZ 4.1Å; K32-F42 HydrophobicContact CG-CD1 4.18Å; K32-F42 HydrophobicContact CG-CE1 3.61Å; K32-F42 HydrophobicContact CG-CZ 3.97Å; K32-W140 CarbonylContact O-C 3.5Å; K32-W140 WeakPolarHBondContact O-CA 3.22Å; K32-T141 PolarHBondContact N-O 3.36Å; K32-T141 PolarHBondContact O-N 2.95Å; K32-L143 HydrophobicContact CB-CD2 3.92Å; K32-L143 HydrophobicContact CB-CG 4.35Å; K32-L143 HydrophobicContact CD-CD2 4.38Å
33	L	97.5	Very high	92.5	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-170.5	173.2	72.5	164.9	0	0	0	110.7	V41 V43 F125 L136 W140	L33-V41 HydrophobicContact CD2-CB 3.86Å; L33-V41 HydrophobicContact CD2-CG1 3.79Å; L33-V41 HydrophobicContact CG-CB 4.09Å; L33-V41 HydrophobicContact CG-CG1 4.41Å; L33-V41 PolarHBondContact N-O 2.84Å; L33-V41 PolarHBondContact O-N 2.84Å; L33-V41 VanDerWaalsContact O-O 3.07Å; L33-V43 HydrophobicContact CD2-CG2 3.87Å; L33-F125 HydrophobicContact CD1-CD1 3.79Å; L33-F125 HydrophobicContact CD1-CD2 4.36Å; L33-F125 HydrophobicContact CD1-CE1 3.55Å; L33-F125 HydrophobicContact CD1-CE2 4.12Å; L33-F125 HydrophobicContact CD1-CG 4.22Å; L33-F125 HydrophobicContact CD1-CZ 3.74Å; L33-F125 HydrophobicContact CD2-CE1 4.24Å; L33-F125 HydrophobicContact CG-CE1 4.49Å; L33-L136 HydrophobicContact CD1-CB 3.94Å; L33-L136 HydrophobicContact CD1-CD1 4.14Å; L33-L136 HydrophobicContact CD1-CD2 4.01Å; L33-L136 HydrophobicContact CD1-CG 4.25Å; L33-W140 HydrophobicContact CB-CB 4.23Å
34	K	95.5	Very high	93.6	Very high	80 Å²	80	49.4 Å²	49.4	35%	0.348	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.2	172.6	-63.2	176.9	177.4	176.7	0	111.8	E39 E137	K34-E39 CarbonylContact C-O 3.53Å; K34-E39 WeakPolarHBondContact CA-O 3.28Å; K34-E137 HydrophobicContact CB-CG 4.3Å; K34-E137 WeakPolarHBondContact O-CB 3.37Å; K34-E137 PolarHBondContact O-N 3.14Å
35	S	92.6	Very high	94.4	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.049	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-72.4	163.7	160.7	73.8	0	0	0	0	110.4	N37 Q38 E39 E135	S35-N37 PolarHBondContact O-N 2.91Å; S35-N37 VanDerWaalsContact O-N 3.16Å; S35-N37 PolarHBondContact OG-N 3.05Å; S35-Q38 PolarHBondContact O-N 3.05Å; S35-E39 PolarHBondContact N-O 2.95Å; S35-E39 WeakPolarHBondContact OG-CB 3.2Å; S35-E39 PolarHBondContact OG-N 2.81Å; S35-E39 VanDerWaalsContact OG-N 3.16Å; S35-E39 PolarHBondContact OG-OE2 3.48Å; S35-E39 VanDerWaalsContact OG-OE2 3.05Å; S35-E135 CarbonylContact C-O 3.53Å; S35-E135 VanDerWaalsContact CA-O 3.23Å; S35-E135 WeakPolarHBondContact CA-O 3.06Å; S35-E135 WeakPolarHBondContact CB-O 3.14Å
36	K	90.8	Very high	94.7	Very high	129 Å²	129	44.2 Å²	44.2	56%	0.561	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.2	170.3	-76.3	-146	-163.3	142.3	0	113.2	Q38 E135	K36-Q38 PolarHBondContact O-N 2.75Å; K36-E135 HydrophobicContact CB-CB 4.19Å; K36-E135 HydrophobicContact CD-CB 4.33Å; K36-E135 WeakPolarHBondContact CD-OE2 3.42Å; K36-E135 VanDerWaalsContact CE-OE2 3.28Å; K36-E135 WeakPolarHBondContact CE-OE2 3.22Å; K36-E135 HydrophobicContact CG-CB 3.89Å; K36-E135 PolarHBondContact N-O 3.21Å; K36-E135 IonicContact NZ-OE2 2.75Å; K36-E135 PolarHBondContact NZ-OE2 2.76Å
37	N	91	Very high	94.8	Very high	132 Å²	132	39.5 Å²	39.5	71%	0.706	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	12.2	174.7	-62.8	-20.9	0	0	0	113.3	S35 E39	S35-N37 PolarHBondContact O-N 2.91Å; S35-N37 VanDerWaalsContact O-N 3.16Å; S35-N37 PolarHBondContact OG-N 3.05Å; N37-E39 HydrophobicContact CB-CG 4.4Å; N37-E39 PolarHBondContact O-N 2.87Å
38	Q	90.8	Very high	94.5	Very high	103 Å²	103	37.8 Å²	37.8	48%	0.481	18%	0.181	S	C	.	.			trans	65.4	17.6	-179.7	-59.6	-61.7	-60.3	0	0	115	S35 K36 E137	S35-Q38 PolarHBondContact O-N 3.05Å; K36-Q38 PolarHBondContact O-N 2.75Å; Q38-E137 PolarHBondContact NE2-OE1 3.14Å
39	E	89.1	Confident	94.3	Very high	117 Å²	117	44 Å²	44	55%	0.547	21%	0.208	S	C	.	.			trans	-80	145.2	175.9	-58.5	161.8	140.5	0	0	110.1	K34 S35 N37 V41	K34-E39 CarbonylContact C-O 3.53Å; K34-E39 WeakPolarHBondContact CA-O 3.28Å; S35-E39 PolarHBondContact N-O 2.95Å; S35-E39 WeakPolarHBondContact OG-CB 3.2Å; S35-E39 PolarHBondContact OG-N 2.81Å; S35-E39 VanDerWaalsContact OG-N 3.16Å; S35-E39 PolarHBondContact OG-OE2 3.48Å; S35-E39 VanDerWaalsContact OG-OE2 3.05Å; N37-E39 HydrophobicContact CB-CG 4.4Å; N37-E39 PolarHBondContact O-N 2.87Å; E39-V41 PolarHBondContact O-N 3.25Å
40	K	92.5	Very high	93.7	Very high	66 Å²	66	48.4 Å²	48.4	29%	0.287	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.5	178.5	-70.5	-178.9	-173.2	175.9	0	110	F42 D89 C95 T96	K40-F42 HydrophobicContact CB-CE2 4.23Å; K40-D89 IonicContact NZ-OD2 2.56Å; K40-D89 PolarHBondContact NZ-OD2 2.87Å; K40-C95 HydrophobicContact CB-CB 3.86Å; K40-C95 WeakPolarHBondContact O-CB 3.26Å; K40-T96 PolarHBondContact O-N 2.86Å
41	V	95.7	Very high	93	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.1	174.2	-178.1	0	0	0	0	108.7	L33 E39 V43 T96 Y98 L136	L33-V41 HydrophobicContact CD2-CB 3.86Å; L33-V41 HydrophobicContact CD2-CG1 3.79Å; L33-V41 HydrophobicContact CG-CB 4.09Å; L33-V41 HydrophobicContact CG-CG1 4.41Å; L33-V41 PolarHBondContact N-O 2.84Å; L33-V41 PolarHBondContact O-N 2.84Å; L33-V41 VanDerWaalsContact O-O 3.07Å; E39-V41 PolarHBondContact O-N 3.25Å; V41-V43 HydrophobicContact CG1-CG2 4.5Å; V41-T96 CarbonylContact C-O 3.52Å; V41-T96 WeakPolarHBondContact CA-O 3.33Å; V41-Y98 HydrophobicContact CG1-CD2 3.79Å; V41-Y98 HydrophobicContact CG1-CE2 3.66Å; V41-L136 HydrophobicContact CB-CD2 4.32Å; V41-L136 HydrophobicContact CG1-CD2 4.23Å; V41-L136 HydrophobicContact CG2-CD2 4Å
42	F	96	Very high	92.3	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.4	171.5	-66.1	-90.3	0	0	0	109.5	V31 K32 K40 C95 T96 A97 Y98 L143 M149	V31-F42 CarbonylContact O-C 3.52Å; V31-F42 VanDerWaalsContact O-CA 3.25Å; V31-F42 WeakPolarHBondContact O-CA 3.15Å; K32-F42 HydrophobicContact CB-CD1 3.91Å; K32-F42 HydrophobicContact CB-CE1 3.67Å; K32-F42 HydrophobicContact CD-CE1 3.9Å; K32-F42 HydrophobicContact CD-CZ 4.1Å; K32-F42 HydrophobicContact CG-CD1 4.18Å; K32-F42 HydrophobicContact CG-CE1 3.61Å; K32-F42 HydrophobicContact CG-CZ 3.97Å; K40-F42 HydrophobicContact CB-CE2 4.23Å; F42-C95 HydrophobicContact CD2-CB 3.9Å; F42-C95 HydrophobicContact CE2-CB 3.71Å; F42-C95 WeakPolarHBondContact CE2-SG 3.14Å; F42-T96 PolarHBondContact N-O 3.19Å; F42-A97 HydrophobicContact CB-CB 4.22Å; F42-A97 CarbonylContact O-C 3.53Å; F42-A97 VanDerWaalsContact O-CA 3.28Å; F42-A97 WeakPolarHBondContact O-CA 3.44Å; F42-Y98 PolarHBondContact O-N 2.94Å; F42-L143 HydrophobicContact CD1-CD1 4.17Å; F42-L143 HydrophobicContact CE1-CD1 3.96Å; F42-M149 HydrophobicContact CB-CB 3.91Å; F42-M149 HydrophobicContact CB-CG 4.2Å; F42-M149 HydrophobicContact CD1-CB 4.49Å; F42-M149 HydrophobicContact CD1-CE 3.45Å; F42-M149 VanDerWaalsContact CD1-CE 3.45Å; F42-M149 HydrophobicContact CD2-CE 3.69Å; F42-M149 HydrophobicContact CD2-CG 4.27Å; F42-M149 HydrophobicContact CE1-CE 3.29Å; F42-M149 HydrophobicContact CE2-CE 3.56Å; F42-M149 HydrophobicContact CG-CB 4.16Å; F42-M149 HydrophobicContact CG-CE 3.64Å; F42-M149 HydrophobicContact CG-CG 4.11Å; F42-M149 HydrophobicContact CZ-CE 3.34Å
43	V	97.5	Very high	91.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.6	172.9	-173.4	0	0	0	0	108.1	V31 L33 V41 I45 Y98 V100 I124 L128	V31-V43 HydrophobicContact CB-CB 4.41Å; V31-V43 PolarHBondContact N-O 2.82Å; V31-V43 PolarHBondContact O-N 2.84Å; L33-V43 HydrophobicContact CD2-CG2 3.87Å; V41-V43 HydrophobicContact CG1-CG2 4.5Å; V43-I45 HydrophobicContact CG1-CD1 3.89Å; V43-Y98 CarbonylContact C-O 3.53Å; V43-Y98 WeakPolarHBondContact CA-O 3.23Å; V43-V100 HydrophobicContact CG1-CB 4.26Å; V43-V100 HydrophobicContact CG1-CG2 3.61Å; V43-I124 HydrophobicContact CG1-CG2 3.93Å; V43-L128 HydrophobicContact CG2-CD1 3.65Å
44	N	97	Very high	91.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.1	175.8	-57.2	-38.7	0	0	0	108	C30 C46 Y98 D99 V100 C148 M149	C30-N44 PolarHBondContact SG-OD1 3.34Å; N44-C46 PolarHBondContact O-N 3.44Å; N44-Y98 PolarHBondContact N-O 3.49Å; N44-D99 VanDerWaalsContact CB-OD1 3.26Å; N44-D99 WeakPolarHBondContact CB-OD1 3.36Å; N44-D99 PolarHBondContact ND2-OD1 3.21Å; N44-V100 PolarHBondContact O-N 2.9Å; N44-C148 PolarHBondContact ND2-SG 3.19Å; N44-C148 WeakPolarHBondContact OD1-CA 3.29Å; N44-M149 PolarHBondContact ND2-O 3.35Å; N44-M149 PolarHBondContact OD1-N 2.9Å
45	I	97.3	Very high	91	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	104.8	172.7	-49.9	-54.3	0	0	0	107	G28 F29 V31 V43 V100 I102 Y107 L120 M121 I124	G28-I45 CarbonylContact C-O 3.57Å; G28-I45 WeakPolarHBondContact CA-O 3.25Å; G28-I45 PolarHBondContact N-O 3.44Å; F29-I45 HydrophobicContact CD1-CB 4.21Å; F29-I45 HydrophobicContact CD2-CB 4.29Å; F29-I45 HydrophobicContact CD2-CG1 3.96Å; F29-I45 HydrophobicContact CE1-CB 3.97Å; F29-I45 HydrophobicContact CE1-CG1 4.21Å; F29-I45 HydrophobicContact CE1-CG2 3.96Å; F29-I45 HydrophobicContact CE2-CB 4.08Å; F29-I45 HydrophobicContact CE2-CG1 3.48Å; F29-I45 VanDerWaalsContact CE2-CG1 3.48Å; F29-I45 HydrophobicContact CG-CB 4.36Å; F29-I45 HydrophobicContact CZ-CB 3.91Å; F29-I45 HydrophobicContact CZ-CG1 3.62Å; F29-I45 HydrophobicContact CZ-CG2 4.07Å; F29-I45 PolarHBondContact N-O 3.06Å; F29-I45 VanDerWaalsContact N-O 3.15Å; F29-I45 PolarHBondContact O-N 2.82Å; V31-I45 HydrophobicContact CG2-CG1 4.22Å; V43-I45 HydrophobicContact CG1-CD1 3.89Å; I45-V100 HydrophobicContact CD1-CB 4.24Å; I45-I102 HydrophobicContact CG2-CD1 3.9Å; I45-I102 HydrophobicContact CG2-CG1 4.08Å; I45-Y107 HydrophobicContact CG2-CD2 3.96Å; I45-Y107 HydrophobicContact CG2-CE2 4.11Å; I45-L120 HydrophobicContact CG2-CD2 4.46Å; I45-M121 HydrophobicContact CD1-CE 4.09Å; I45-M121 HydrophobicContact CG1-CE 4.15Å; I45-I124 HydrophobicContact CD1-CD1 3.32Å
46	C	95.4	Very high	90.9	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	166.8	-178.8	-57.4	0	0	0	0	110.2	P25 D26 N44 V100 I101 I102	P25-C46 HydrophobicContact CB-CB 3.82Å; P25-C46 HydrophobicContact CG-CB 4.2Å; D26-C46 CarbonylContact O-C 3.15Å; D26-C46 WeakPolarHBondContact O-CA 3.38Å; D26-C46 VanDerWaalsContact O-CB 3.28Å; D26-C46 WeakPolarHBondContact O-CB 3.42Å; N44-C46 PolarHBondContact O-N 3.44Å; C46-V100 PolarHBondContact N-O 3.43Å; C46-I101 HydrophobicContact CB-CG1 4.37Å; C46-I101 WeakPolarHBondContact O-CA 3.28Å; C46-I102 PolarHBondContact O-N 3.42Å
47	T	95.2	Very high	91	Very high	16 Å²	16	58 Å²	58	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.7	-177.9	58	0	0	0	0	113.2	P25 D26 I102 P104 Y107	P25-T47 WeakPolarHBondContact CA-O 3.28Å; D26-T47 PolarHBondContact N-O 2.91Å; D26-T47 PolarHBondContact O-N 2.92Å; T47-I102 VanDerWaalsContact CA-O 3.23Å; T47-I102 WeakPolarHBondContact CA-O 3.44Å; T47-P104 HydrophobicContact CG2-CB 4.34Å; T47-Y107 HydrophobicContact CG2-CD1 3.99Å; T47-Y107 HydrophobicContact CG2-CD2 3.6Å; T47-Y107 HydrophobicContact CG2-CE2 4.26Å; T47-Y107 HydrophobicContact CG2-CG 3.45Å; T47-Y107 VanDerWaalsContact CG2-CG 3.45Å
48	S	89.6	Confident	91.1	Very high	15 Å²	15	55.3 Å²	55.3	11%	0.105	28%	0.276	C	S	.	.			trans	-154.3	138	166.9	-171.8	0	0	0	0	111.2	I23 K50 V51 I102 P104	I23-S48 WeakPolarHBondContact CG2-OG 3.37Å; S48-K50 PolarHBondContact O-N 3.34Å; S48-K50 PolarHBondContact OG-N 2.8Å; S48-V51 PolarHBondContact O-N 2.73Å; S48-V51 VanDerWaalsContact O-N 3.14Å; S48-I102 PolarHBondContact N-O 3.19Å; S48-I102 VanDerWaalsContact N-O 3.1Å; S48-P104 VanDerWaalsContact C-CD 3.5Å; S48-P104 WeakPolarHBondContact O-CD 3.4Å
49	E	89.9	Confident	91.4	Very high	137 Å²	137	53.7 Å²	53.7	64%	0.64	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.7	173.8	-62.1	-66.3	177.4	0	0	113.1	V51 P104	E49-V51 VanDerWaalsContact C-N 3.28Å; E49-P104 HydrophobicContact CG-CG 4.07Å; E49-P104 WeakPolarHBondContact OE1-CG 3.43Å; E49-P104 WeakPolarHBondContact OE2-CG 3.43Å
50	K	82.9	Confident	91.8	Very high	113 Å²	113	53.2 Å²	53.2	49%	0.491	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.8	177.1	-71.1	175.3	178.2	-174.1	0	112.9	I21 I22 I23 S48	I21-K50 HydrophobicContact CD1-CB 4.37Å; I21-K50 HydrophobicContact CD1-CD 4.26Å; I22-K50 PolarHBondContact O-NZ 3.24Å; I23-K50 HydrophobicContact CD1-CB 3.52Å; I23-K50 HydrophobicContact CD1-CD 4.2Å; I23-K50 HydrophobicContact CG1-CB 4.07Å; I23-K50 HydrophobicContact CG1-CD 3.78Å; S48-K50 PolarHBondContact O-N 3.34Å; S48-K50 PolarHBondContact OG-N 2.8Å
51	V	83.4	Confident	91.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	28%	0.276	C	S	.	.	S	Bend	trans	-82.9	127.7	170.6	-179.5	0	0	0	0	108	I23 S48 E49 P78 I101 N103	I23-V51 HydrophobicContact CD1-CG2 4.34Å; S48-V51 PolarHBondContact O-N 2.73Å; S48-V51 VanDerWaalsContact O-N 3.14Å; E49-V51 VanDerWaalsContact C-N 3.28Å; V51-P78 HydrophobicContact CG1-CB 4.16Å; V51-P78 WeakPolarHBondContact CG1-O 3.34Å; V51-I101 HydrophobicContact CG2-CB 4.16Å; V51-I101 HydrophobicContact CG2-CG2 3.69Å; V51-N103 WeakPolarHBondContact O-CB 3.42Å; V51-N103 PolarHBondContact O-ND2 3.31Å
52	P	82.2	Confident	91.8	Very high	70 Å²	70	54 Å²	54	46%	0.455	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-56.3	146	179.2	-26.6	35.1	0	0	0	112.7	P78	P52-P78 HydrophobicContact CB-CB 4.16Å; P52-P78 HydrophobicContact CB-CG 4.16Å
53	I	87.7	Confident	91.7	Very high	90 Å²	90	58.1 Å²	58.1	46%	0.462	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-76.4	130.2	176.5	-53.8	153.5	0	0	0	107.7	N103	I53-N103 HydrophobicContact CG1-CB 4.21Å; I53-N103 WeakPolarHBondContact CG1-ND2 3.42Å; I53-N103 WeakPolarHBondContact CG1-OD1 3.34Å
54	P	88	Confident	91.5	Very high	12 Å²	12	63.7 Å²	63.7	8%	0.078	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-64.2	162.3	171.5	25.2	-31.6	0	0	0	111.4	D56 F75 K76 F106	P54-D56 PolarHBondContact O-N 2.83Å; P54-F75 HydrophobicContact CB-CE2 4.16Å; P54-F75 HydrophobicContact CB-CZ 4.23Å; P54-K76 WeakPolarHBondContact CB-O 3.41Å; P54-F106 HydrophobicContact CG-CB 3.63Å; P54-F106 HydrophobicContact CG-CD1 4.11Å; P54-F106 HydrophobicContact CG-CD2 3.34Å; P54-F106 HydrophobicContact CG-CE2 3.99Å; P54-F106 HydrophobicContact CG-CG 3.41Å; P54-F106 VanDerWaalsContact CG-CG 3.41Å
55	K	86	Confident	91.1	Very high	167 Å²	167	64.8 Å²	64.8	73%	0.726	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-54.5	135.4	171.5	-68.9	-175.5	179.5	179.7	0	110	F75	K55-F75 HydrophobicContact CB-CE2 4.42Å; K55-F75 VanDerWaalsContact O-CE2 3.22Å; K55-F75 WeakPolarHBondContact O-CE2 3.13Å
56	D	90.4	Very high	90.8	Very high	141 Å²	141	67.2 Å²	67.2	75%	0.754	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-70.1	141.4	173.8	-165.1	29.5	0	0	0	110	P54 K109	P54-D56 PolarHBondContact O-N 2.83Å; D56-K109 IonicContact OD1-NZ 3.43Å; D56-K109 PolarHBondContact OD1-NZ 2.97Å
57	L	92.4	Very high	90.6	Very high	23 Å²	23	73.8 Å²	73.8	12%	0.12	37%	0.372	C	S	.	.			trans	-155.5	125.5	-169.2	-156.4	74.4	0	0	0	110.7	E61 L62 I65 F75 K109 F116	L57-E61 HydrophobicContact CD1-CB 3.64Å; L57-E61 HydrophobicContact CD1-CG 4.42Å; L57-E61 HydrophobicContact CD2-CB 4.38Å; L57-E61 HydrophobicContact CG-CB 3.65Å; L57-L62 HydrophobicContact CD2-CB 3.88Å; L57-L62 HydrophobicContact CD2-CD1 4.18Å; L57-I65 HydrophobicContact CD1-CD1 4.4Å; L57-I65 HydrophobicContact CD2-CD1 3.71Å; L57-F75 HydrophobicContact CB-CE2 4.33Å; L57-F75 HydrophobicContact CD2-CB 4.28Å; L57-F75 HydrophobicContact CD2-CD1 4.02Å; L57-F75 HydrophobicContact CD2-CD2 4.01Å; L57-F75 HydrophobicContact CD2-CE1 4.4Å; L57-F75 HydrophobicContact CD2-CE2 4.41Å; L57-F75 HydrophobicContact CD2-CG 3.82Å; L57-K109 VanDerWaalsContact N-NZ 3.17Å; L57-K109 WeakPolarHBondContact O-CE 3.29Å; L57-K109 PolarHBondContact O-NZ 3.3Å; L57-F116 HydrophobicContact CB-CZ 4.28Å; L57-F116 WeakPolarHBondContact O-CZ 3.43Å
58	T	95.1	Very high	90.4	Very high	76 Å²	76	76.6 Å²	76.6	47%	0.466	39%	0.386	S	S	.	.			trans	-68.2	163.7	174.4	61.6	0	0	0	0	111.2	D60 E61 L62	T58-D60 PolarHBondContact O-N 3.26Å; T58-E61 WeakPolarHBondContact CB-OE2 3.29Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.21Å; T58-E61 PolarHBondContact N-OE2 3.15Å; T58-E61 PolarHBondContact O-N 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.42Å; T58-E61 VanDerWaalsContact OG1-CD 3.3Å; T58-E61 WeakPolarHBondContact OG1-CG 3.43Å; T58-E61 PolarHBondContact OG1-N 3.43Å; T58-E61 PolarHBondContact OG1-OE2 3.49Å; T58-L62 PolarHBondContact O-N 2.76Å
59	E	96.3	Very high	90	Very high	68 Å²	68	77.8 Å²	77.8	32%	0.318	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-35.4	173.5	-68.7	-165.6	172.7	0	0	112.2	L62 R63 S113 L115 F116	E59-L62 PolarHBondContact O-N 3.35Å; E59-R63 VanDerWaalsContact CB-NH1 3.31Å; E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 3.27Å; E59-R63 IonicContact OE2-CZ 3.34Å; E59-R63 IonicContact OE2-NH1 2.76Å; E59-R63 PolarHBondContact OE2-NH1 3.08Å; E59-R63 IonicContact OE2-NH2 2.9Å; E59-R63 PolarHBondContact OE2-NH2 3.49Å; E59-S113 WeakPolarHBondContact OE1-CB 3.33Å; E59-S113 PolarHBondContact OE1-OG 2.91Å; E59-L115 HydrophobicContact CB-CD2 3.88Å; E59-L115 HydrophobicContact CG-CD2 4.26Å; E59-L115 WeakPolarHBondContact O-CD2 3.42Å; E59-F116 HydrophobicContact CG-CD2 4.24Å; E59-F116 HydrophobicContact CG-CE2 4.06Å
60	D	96.5	Very high	89.7	Confident	107 Å²	107	76.2 Å²	76.2	57%	0.572	39%	0.387	S	S	*	.	H	α-helix	trans	-70.5	-40.2	-179.7	-67	-26.9	0	0	0	111.6	T58 L62 R63 L64	T58-D60 PolarHBondContact O-N 3.26Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 2.96Å; D60-R63 PolarHBondContact O-N 2.54Å; D60-R63 IonicContact OD1-NH1 3.46Å; D60-R63 PolarHBondContact OD1-NH1 2.71Å; D60-L64 WeakPolarHBondContact O-CG 3.47Å; D60-L64 PolarHBondContact O-N 3.32Å
61	E	94.8	Very high	89.7	Confident	90 Å²	90	77 Å²	77	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-41.2	171.1	-73.4	166.5	142.7	0	0	111.5	L57 T58 R63 L64 I65	L57-E61 HydrophobicContact CD1-CB 3.64Å; L57-E61 HydrophobicContact CD1-CG 4.42Å; L57-E61 HydrophobicContact CD2-CB 4.38Å; L57-E61 HydrophobicContact CG-CB 3.65Å; T58-E61 WeakPolarHBondContact CB-OE2 3.29Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.21Å; T58-E61 PolarHBondContact N-OE2 3.15Å; T58-E61 PolarHBondContact O-N 3.29Å; T58-E61 WeakPolarHBondContact OG1-CB 3.42Å; T58-E61 VanDerWaalsContact OG1-CD 3.3Å; T58-E61 WeakPolarHBondContact OG1-CG 3.43Å; T58-E61 PolarHBondContact OG1-N 3.43Å; T58-E61 PolarHBondContact OG1-OE2 3.49Å; E61-R63 PolarHBondContact O-N 3.14Å; E61-L64 PolarHBondContact O-N 2.67Å; E61-I65 WeakPolarHBondContact O-CG1 3.24Å; E61-I65 PolarHBondContact O-N 2.93Å
62	L	94.2	Very high	89.6	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-62.9	-42.1	174.3	-178.3	57.2	0	0	0	111.6	L57 T58 E59 D60 L64 I65 L66 F75 L115 F116 F119	L57-L62 HydrophobicContact CD2-CB 3.88Å; L57-L62 HydrophobicContact CD2-CD1 4.18Å; T58-L62 PolarHBondContact O-N 2.76Å; E59-L62 PolarHBondContact O-N 3.35Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 2.96Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.29Å; L62-I65 PolarHBondContact O-N 3.26Å; L62-L66 HydrophobicContact CD1-CD1 4.21Å; L62-L66 HydrophobicContact CD1-CG 4.17Å; L62-L66 HydrophobicContact CG-CD1 4Å; L62-L66 HydrophobicContact CG-CG 4.4Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.32Å; L62-L66 PolarHBondContact O-N 3.3Å; L62-F75 HydrophobicContact CD1-CD1 3.86Å; L62-F75 HydrophobicContact CD1-CE1 4.44Å; L62-L115 HydrophobicContact CB-CD2 4.21Å; L62-L115 HydrophobicContact CD2-CD2 4Å; L62-L115 HydrophobicContact CD2-CG 3.85Å; L62-L115 HydrophobicContact CG-CD2 4.19Å; L62-L115 HydrophobicContact CG-CG 4.41Å; L62-F116 HydrophobicContact CB-CZ 4.09Å; L62-F116 HydrophobicContact CD2-CD1 3.83Å; L62-F116 HydrophobicContact CD2-CD2 4.2Å; L62-F116 HydrophobicContact CD2-CE1 3.65Å; L62-F116 HydrophobicContact CD2-CE2 4.02Å; L62-F116 HydrophobicContact CD2-CG 4.1Å; L62-F116 HydrophobicContact CD2-CZ 3.71Å; L62-F119 HydrophobicContact CD1-CD2 4.09Å; L62-F119 HydrophobicContact CD1-CE2 4.2Å; L62-F119 HydrophobicContact CD1-CG 4.25Å; L62-F119 HydrophobicContact CD1-CZ 4.47Å; L62-F119 HydrophobicContact CD2-CB 4.1Å; L62-F119 HydrophobicContact CD2-CD1 4.49Å; L62-F119 HydrophobicContact CD2-CG 4.18Å
63	R	94.7	Very high	89.3	Confident	94 Å²	94	79.6 Å²	79.6	36%	0.355	41%	0.414	S	S	.	.	H	α-helix	trans	-60.7	-41	174.6	-74	176.5	-173.7	101.3	13.3	112	E59 D60 E61 I65 L66 N67 L115	E59-R63 VanDerWaalsContact CB-NH1 3.31Å; E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 3.27Å; E59-R63 IonicContact OE2-CZ 3.34Å; E59-R63 IonicContact OE2-NH1 2.76Å; E59-R63 PolarHBondContact OE2-NH1 3.08Å; E59-R63 IonicContact OE2-NH2 2.9Å; E59-R63 PolarHBondContact OE2-NH2 3.49Å; D60-R63 PolarHBondContact O-N 2.54Å; D60-R63 IonicContact OD1-NH1 3.46Å; D60-R63 PolarHBondContact OD1-NH1 2.71Å; E61-R63 PolarHBondContact O-N 3.14Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-L66 PolarHBondContact O-N 3.12Å; R63-N67 WeakPolarHBondContact O-CB 3.47Å; R63-N67 PolarHBondContact O-N 3.24Å; R63-N67 PolarHBondContact O-ND2 3.03Å; R63-N67 VanDerWaalsContact O-ND2 3.17Å; R63-L115 HydrophobicContact CG-CD2 3.75Å
64	L	92.4	Very high	88.7	Confident	117 Å²	117	77.5 Å²	77.5	61%	0.613	41%	0.406	S	S	*	.	H	α-helix	trans	-60.4	-46.3	176.5	-71.7	172.1	0	0	0	110.9	D60 E61 L62 L66 N67 D68	D60-L64 WeakPolarHBondContact O-CG 3.47Å; D60-L64 PolarHBondContact O-N 3.32Å; E61-L64 PolarHBondContact O-N 2.67Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.29Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.03Å; L64-N67 PolarHBondContact O-N 2.93Å; L64-D68 PolarHBondContact O-N 3.27Å
65	I	89.6	Confident	88.4	Confident	22 Å²	22	77.2 Å²	77.2	11%	0.113	40%	0.404	C	S	.	.	H	α-helix	trans	-60.3	-44.8	175.9	-63.4	176.2	0	0	0	111.1	L57 E61 L62 R63 N67 D68 I69 F75	L57-I65 HydrophobicContact CD1-CD1 4.4Å; L57-I65 HydrophobicContact CD2-CD1 3.71Å; E61-I65 WeakPolarHBondContact O-CG1 3.24Å; E61-I65 PolarHBondContact O-N 2.93Å; L62-I65 PolarHBondContact O-N 3.26Å; R63-I65 VanDerWaalsContact C-N 3.35Å; I65-N67 VanDerWaalsContact C-N 3.35Å; I65-N67 PolarHBondContact O-N 3.43Å; I65-D68 CarbonylContact O-C 3.55Å; I65-D68 PolarHBondContact O-N 2.82Å; I65-I69 VanDerWaalsContact O-CA 3.28Å; I65-I69 WeakPolarHBondContact O-CA 3.48Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 3.06Å; I65-I69 VanDerWaalsContact O-N 3.11Å; I65-F75 HydrophobicContact CD1-CB 3.8Å
66	L	89.9	Confident	88.2	Confident	51 Å²	51	71.4 Å²	71.4	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-70.8	-26.8	-178.8	-67.4	175	0	0	0	113.8	I3 L62 R63 L64 I69 L115 F119	I3-L66 HydrophobicContact CD1-CD2 4.05Å; I3-L66 HydrophobicContact CG1-CD2 4.36Å; L62-L66 HydrophobicContact CD1-CD1 4.21Å; L62-L66 HydrophobicContact CD1-CG 4.17Å; L62-L66 HydrophobicContact CG-CD1 4Å; L62-L66 HydrophobicContact CG-CG 4.4Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.32Å; L62-L66 PolarHBondContact O-N 3.3Å; R63-L66 PolarHBondContact O-N 3.12Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.03Å; L66-I69 WeakPolarHBondContact O-CG1 3.37Å; L66-L115 HydrophobicContact CD1-CD1 4.13Å; L66-F119 HydrophobicContact CD2-CD2 4.09Å; L66-F119 HydrophobicContact CD2-CE2 4.23Å
67	N	91.2	Very high	88	Confident	138 Å²	138	64.8 Å²	64.8	74%	0.738	34%	0.343	S	S	*	.	H	α-helix	trans	-79.7	-26	177.2	-74.4	-28.3	0	0	0	112.7	R63 L64 I65	R63-N67 WeakPolarHBondContact O-CB 3.47Å; R63-N67 PolarHBondContact O-N 3.24Å; R63-N67 PolarHBondContact O-ND2 3.03Å; R63-N67 VanDerWaalsContact O-ND2 3.17Å; L64-N67 PolarHBondContact O-N 2.93Å; I65-N67 VanDerWaalsContact C-N 3.35Å; I65-N67 PolarHBondContact O-N 3.43Å
68	D	91.1	Very high	87.6	Confident	76 Å²	76	64.4 Å²	64.4	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-135.3	57	-178.7	-166.1	8.8	0	0	0	111.4	L64 I65 D70 N71 S72	L64-D68 PolarHBondContact O-N 3.27Å; I65-D68 CarbonylContact O-C 3.55Å; I65-D68 PolarHBondContact O-N 2.82Å; D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.39Å; D68-N71 PolarHBondContact O-N 2.93Å; D68-N71 PolarHBondContact OD1-ND2 3.25Å; D68-N71 WeakPolarHBondContact OD2-CB 3.48Å; D68-N71 PolarHBondContact OD2-ND2 2.84Å; D68-S72 WeakPolarHBondContact O-CB 3.2Å; D68-S72 PolarHBondContact O-N 3.35Å; D68-S72 PolarHBondContact O-OG 3.42Å
69	I	81.7	Confident	87.2	Confident	40 Å²	40	61.5 Å²	61.5	21%	0.205	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-41.2	-174.5	-68.5	176.5	0	0	0	111.9	M1 I6 I65 L66 N71	M1-I69 HydrophobicContact CB-CG2 4.09Å; M1-I69 HydrophobicContact CG-CG2 4.06Å; M1-I69 HydrophobicContact SD-CG2 3.81Å; I6-I69 HydrophobicContact CD1-CG2 3.66Å; I65-I69 VanDerWaalsContact O-CA 3.28Å; I65-I69 WeakPolarHBondContact O-CA 3.48Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 3.06Å; I65-I69 VanDerWaalsContact O-N 3.11Å; L66-I69 WeakPolarHBondContact O-CG1 3.37Å; I69-N71 VanDerWaalsContact C-N 3.34Å; I69-N71 PolarHBondContact O-N 3.34Å
70	D	82.5	Confident	86.7	Confident	104 Å²	104	59.2 Å²	59.2	56%	0.556	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.9	-173.9	-66.8	-45.9	0	0	0	113.1	M1 D68	M1-D70 WeakPolarHBondContact CB-OD1 3.48Å; D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.39Å
71	N	83.9	Confident	86.3	Confident	129 Å²	129	55 Å²	55	69%	0.69	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-9.1	179.8	-55.7	-67.7	0	0	0	113.6	D68 I69	D68-N71 PolarHBondContact O-N 2.93Å; D68-N71 PolarHBondContact OD1-ND2 3.25Å; D68-N71 WeakPolarHBondContact OD2-CB 3.48Å; D68-N71 PolarHBondContact OD2-ND2 2.84Å; I69-N71 VanDerWaalsContact C-N 3.34Å; I69-N71 PolarHBondContact O-N 3.34Å
72	S	80.4	Confident	85.7	Confident	27 Å²	27	51 Å²	51	19%	0.189	27%	0.274	C	S	.	.	S	Bend	trans	-87.9	145.5	-179.5	-65.6	0	0	0	0	112.1	D68	D68-S72 WeakPolarHBondContact O-CB 3.2Å; D68-S72 PolarHBondContact O-N 3.35Å; D68-S72 PolarHBondContact O-OG 3.42Å
73	P	77	Confident	85.1	Confident	99 Å²	99	57.1 Å²	57.1	64%	0.643	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-58.2	140.8	171.5	-22.7	33.1	0	0	0	111.2	F75	P73-F75 PolarHBondContact O-N 2.78Å
74	P	74.7	Confident	84.7	Confident	46 Å²	46	55.4 Å²	55.4	30%	0.299	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-63.9	125.1	179.1	25.7	-35	0	0	0	111.2	I6 I166	I6-P74 HydrophobicContact CB-CB 3.88Å; I6-P74 HydrophobicContact CG1-CB 3.86Å; I6-P74 VanDerWaalsContact CG2-CA 3.49Å; I6-P74 HydrophobicContact CG2-CB 3.61Å; P74-I166 HydrophobicContact CG-CD1 3.74Å
75	F	82.3	Confident	84.3	Confident	7 Å²	7	50.6 Å²	50.6	3%	0.031	28%	0.279	C	S	.	.			trans	-88.7	108.1	166.4	178	-125.5	0	0	0	111.5	I6 P54 K55 L57 L62 I65 P73 V77 F106 F116 F119	I6-F75 WeakPolarHBondContact CG2-O 3.37Å; P54-F75 HydrophobicContact CB-CE2 4.16Å; P54-F75 HydrophobicContact CB-CZ 4.23Å; K55-F75 HydrophobicContact CB-CE2 4.42Å; K55-F75 VanDerWaalsContact O-CE2 3.22Å; K55-F75 WeakPolarHBondContact O-CE2 3.13Å; L57-F75 HydrophobicContact CB-CE2 4.33Å; L57-F75 HydrophobicContact CD2-CB 4.28Å; L57-F75 HydrophobicContact CD2-CD1 4.02Å; L57-F75 HydrophobicContact CD2-CD2 4.01Å; L57-F75 HydrophobicContact CD2-CE1 4.4Å; L57-F75 HydrophobicContact CD2-CE2 4.41Å; L57-F75 HydrophobicContact CD2-CG 3.82Å; L62-F75 HydrophobicContact CD1-CD1 3.86Å; L62-F75 HydrophobicContact CD1-CE1 4.44Å; I65-F75 HydrophobicContact CD1-CB 3.8Å; P73-F75 PolarHBondContact O-N 2.78Å; F75-V77 HydrophobicContact CE1-CG2 3.89Å; F75-V77 HydrophobicContact CZ-CG2 4.05Å; F75-F106 HydrophobicContact CZ-CE2 4.18Å; F75-F116 AromaticContact CE1-CE1 3.9Å; F75-F116 HydrophobicContact CE1-CE1 3.9Å; F75-F116 HydrophobicContact CZ-CE1 4.18Å; F75-F119 HydrophobicContact CD1-CD1 4.22Å; F75-F119 AromaticContact CD1-CE1 3.38Å; F75-F119 HydrophobicContact CD1-CE1 3.38Å; F75-F119 AromaticContact CD1-CZ 3.58Å; F75-F119 HydrophobicContact CD1-CZ 3.58Å; F75-F119 HydrophobicContact CE1-CD1 4.05Å; F75-F119 AromaticContact CE1-CE1 3.47Å; F75-F119 HydrophobicContact CE1-CE1 3.47Å; F75-F119 VanDerWaalsContact CE1-CE1 3.47Å; F75-F119 HydrophobicContact CE1-CZ 4.16Å
76	K	80.2	Confident	84.1	Confident	45 Å²	45	54 Å²	54	20%	0.196	31%	0.31	C	S	.	.			trans	-93.9	139.3	-178.9	-69	174.9	-175.3	179	0	112	I6 P54	I6-K76 WeakPolarHBondContact O-CG 3.34Å; P54-K76 WeakPolarHBondContact CB-O 3.41Å
77	V	86.7	Confident	84	Confident	1 Å²	1	54 Å²	54	1%	0.006	31%	0.309	C	S	.	.			trans	-114.7	104.7	169	178.6	0	0	0	0	109.1	F75 M79 F106 F119 L120	F75-V77 HydrophobicContact CE1-CG2 3.89Å; F75-V77 HydrophobicContact CZ-CG2 4.05Å; V77-M79 PolarHBondContact O-N 3.17Å; V77-F106 HydrophobicContact CB-CE1 4.4Å; V77-F106 HydrophobicContact CG1-CD1 3.88Å; V77-F106 HydrophobicContact CG1-CE1 3.48Å; V77-F106 VanDerWaalsContact CG1-CE1 3.48Å; V77-F106 HydrophobicContact CG1-CZ 4.11Å; V77-F106 HydrophobicContact CG2-CE1 3.94Å; V77-F106 HydrophobicContact CG2-CE2 4.39Å; V77-F106 HydrophobicContact CG2-CZ 3.68Å; V77-F119 HydrophobicContact CG2-CD1 4.38Å; V77-F119 HydrophobicContact CG2-CE1 3.68Å; V77-L120 HydrophobicContact CG1-CD1 4.08Å
78	P	83.7	Confident	83.7	Confident	15 Å²	15	51.2 Å²	51.2	10%	0.097	30%	0.297	C	S	.	.			trans	-60.8	128.6	172.5	-21.8	33.6	0	0	0	110.2	V51 P52	V51-P78 HydrophobicContact CG1-CB 4.16Å; V51-P78 WeakPolarHBondContact CG1-O 3.34Å; P52-P78 HydrophobicContact CB-CB 4.16Å; P52-P78 HydrophobicContact CB-CG 4.16Å
79	M	88	Confident	83.1	Confident	16 Å²	16	48.3 Å²	48.3	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	156.9	177.6	63.3	178.9	166.1	0	0	111.4	V77 I81 V100 I101 I102 V123 I124	V77-M79 PolarHBondContact O-N 3.17Å; M79-I81 HydrophobicContact CE-CD1 4.09Å; M79-I81 HydrophobicContact CG-CG1 4.45Å; M79-I81 HydrophobicContact SD-CD1 4.46Å; M79-I81 HydrophobicContact SD-CG1 4.38Å; M79-V100 HydrophobicContact CB-CG1 4.15Å; M79-V100 HydrophobicContact SD-CG1 3.98Å; M79-I101 CarbonylContact C-O 3.52Å; M79-I101 VanDerWaalsContact CA-O 3.22Å; M79-I101 WeakPolarHBondContact CA-O 3.32Å; M79-I102 HydrophobicContact CB-CG2 3.74Å; M79-V123 HydrophobicContact CE-CG1 3.37Å; M79-V123 HydrophobicContact SD-CG1 4.15Å; M79-I124 HydrophobicContact SD-CG1 3.8Å
80	C	85.4	Confident	83.1	Confident	19 Å²	19	51.9 Å²	51.9	13%	0.128	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.2	174	-54.7	0	0	0	0	109.7	V100 I101 Q155 I157	C80-V100 CarbonylContact O-C 3.58Å; C80-V100 WeakPolarHBondContact O-CA 3.07Å; C80-I101 HydrophobicContact CB-CB 4.17Å; C80-I101 HydrophobicContact CB-CD1 4.34Å; C80-I101 HydrophobicContact CB-CG1 4.5Å; C80-I101 PolarHBondContact N-O 3.37Å; C80-I101 PolarHBondContact O-N 2.82Å; C80-Q155 VanDerWaalsContact CB-OE1 3.25Å; C80-Q155 PolarHBondContact O-OE1 2.53Å; C80-I157 HydrophobicContact CB-CD1 3.72Å; C80-I157 HydrophobicContact CB-CG1 4.34Å; C80-I157 WeakPolarHBondContact SG-CD1 3.28Å
81	I	88.1	Confident	83.2	Confident	18 Å²	18	50 Å²	50	9%	0.092	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.7	179.1	-57.9	-179.2	0	0	0	108.1	M79 V100 L128 K131 Y132	M79-I81 HydrophobicContact CE-CD1 4.09Å; M79-I81 HydrophobicContact CG-CG1 4.45Å; M79-I81 HydrophobicContact SD-CD1 4.46Å; M79-I81 HydrophobicContact SD-CG1 4.38Å; I81-V100 HydrophobicContact CG1-CG2 4.42Å; I81-L128 HydrophobicContact CG2-CD2 3.53Å; I81-L128 HydrophobicContact CG2-CG 4.48Å; I81-K131 HydrophobicContact CB-CD 4.22Å; I81-K131 HydrophobicContact CG2-CD 4.02Å; I81-K131 PolarHBondContact O-NZ 3.47Å; I81-Y132 HydrophobicContact CG2-CE2 3.98Å
82	G	81.3	Confident	83	Confident	6 Å²	6	51 Å²	51	6%	0.062	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-76.8	167	177.8	0	0	0	0	0	113.3	D99 Y132 Q155	G82-D99 PolarHBondContact N-O 3.26Å; G82-Y132 PolarHBondContact O-OH 2.64Å; G82-Q155 VanDerWaalsContact CA-NE2 3.26Å
83	E	82.5	Confident	83.1	Confident	129 Å²	129	56.2 Å²	56.2	60%	0.603	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-63.9	148.2	174.7	-65.2	-169.5	157.2	0	0	111.8	H85 Y132	E83-H85 PolarHBondContact O-N 2.89Å; E83-Y132 WeakPolarHBondContact CA-OH 3.48Å
84	P	86.5	Confident	83.5	Confident	59 Å²	59	54.5 Å²	54.5	38%	0.383	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-61	133.8	171.4	22.3	-30.4	0	0	0	110.3	T96 A97 Y98 Y132	P84-T96 HydrophobicContact CB-CG2 3.65Å; P84-A97 WeakPolarHBondContact CA-O 3.15Å; P84-Y98 HydrophobicContact CB-CD1 4.07Å; P84-Y98 HydrophobicContact CB-CE1 3.45Å; P84-Y98 VanDerWaalsContact CB-CE1 3.45Å; P84-Y98 HydrophobicContact CG-CE1 4.06Å; P84-Y132 HydrophobicContact CG-CE1 4.35Å
85	H	83.6	Confident	84.1	Confident	16 Å²	16	52.8 Å²	52.8	7%	0.074	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.8	169.2	63.7	102.4	0	0	0	111.3	E83 E87 A97 D99 M149	E83-H85 PolarHBondContact O-N 2.89Å; H85-E87 IonicContact CE1-OE1 2.72Å; H85-E87 PolarHBondContact CE1-OE1 3.32Å; H85-E87 WeakPolarHBondContact ND1-CG 3.33Å; H85-E87 IonicContact ND1-OE1 2.56Å; H85-E87 PolarHBondContact ND1-OE1 3.47Å; H85-A97 PolarHBondContact CD2-O 2.87Å; H85-A97 VanDerWaalsContact CD2-O 3.24Å; H85-A97 WeakPolarHBondContact CE1-CB 3.41Å; H85-A97 PolarHBondContact N-O 3.28Å; H85-A97 WeakPolarHBondContact NE2-CB 3.47Å; H85-A97 PolarHBondContact O-N 2.78Å; H85-D99 IonicContact NE2-OD1 3.49Å; H85-D99 IonicContact NE2-OD2 3.51Å; H85-M149 PolarHBondContact CE1-O 3.3Å
86	A	85.8	Confident	84.4	Confident	93 Å²	93	54.9 Å²	54.9	77%	0.769	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.4	-179.7	0	0	0	0	0	110.4
87	E	88.4	Confident	84.9	Confident	51 Å²	51	52.7 Å²	52.7	24%	0.238	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	164.7	-179.3	-68.7	-65.4	162.2	0	0	110.5	H85 G94 C95 A97 M149 G150	H85-E87 IonicContact CE1-OE1 2.72Å; H85-E87 PolarHBondContact CE1-OE1 3.32Å; H85-E87 WeakPolarHBondContact ND1-CG 3.33Å; H85-E87 IonicContact ND1-OE1 2.56Å; H85-E87 PolarHBondContact ND1-OE1 3.47Å; E87-G94 CarbonylContact O-C 3.55Å; E87-G94 WeakPolarHBondContact O-CA 3.34Å; E87-C95 PolarHBondContact N-O 2.83Å; E87-C95 PolarHBondContact O-N 2.89Å; E87-C95 PolarHBondContact O-SG 3.4Å; E87-C95 VanDerWaalsContact O-SG 3.34Å; E87-A97 HydrophobicContact CG-CB 3.89Å; E87-M149 HydrophobicContact CB-CG 3.83Å; E87-M149 HydrophobicContact CB-SD 4.49Å; E87-M149 HydrophobicContact CG-CG 3.96Å; E87-G150 WeakPolarHBondContact OE1-CA 3.24Å
88	V	83.1	Confident	85.2	Confident	80 Å²	80	53.2 Å²	53.2	49%	0.485	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.7	172.2	-66.6	0	0	0	0	111
89	D	79.3	Confident	85.6	Confident	14 Å²	14	52.6 Å²	52.6	8%	0.075	32%	0.319	C	S	.	.			trans	-80.7	177.3	175.5	78.1	4.7	0	0	0	112.5	K40 A91 Q92 K93	K40-D89 IonicContact NZ-OD2 2.56Å; K40-D89 PolarHBondContact NZ-OD2 2.87Å; D89-A91 PolarHBondContact O-N 2.9Å; D89-A91 VanDerWaalsContact OD1-CA 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.3Å; D89-A91 WeakPolarHBondContact OD1-CB 3.26Å; D89-A91 PolarHBondContact OD1-N 3.41Å; D89-Q92 PolarHBondContact O-N 3.37Å; D89-Q92 PolarHBondContact OD1-N 3.3Å; D89-Q92 VanDerWaalsContact OD1-N 3.13Å; D89-K93 PolarHBondContact N-O 3.5Å; D89-K93 PolarHBondContact OD1-N 3.25Å
90	S	80.9	Confident	86	Confident	115 Å²	115	51.8 Å²	51.8	80%	0.804	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.1	178.1	-56.5	0	0	0	0	114.2
91	A	84.8	Confident	86.3	Confident	65 Å²	65	50.9 Å²	50.9	54%	0.537	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	15.3	175.8	0	0	0	0	0	112.4	D89 K93	D89-A91 PolarHBondContact O-N 2.9Å; D89-A91 VanDerWaalsContact OD1-CA 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.3Å; D89-A91 WeakPolarHBondContact OD1-CB 3.26Å; D89-A91 PolarHBondContact OD1-N 3.41Å; A91-K93 PolarHBondContact O-N 2.92Å
92	Q	81	Confident	86.6	Confident	151 Å²	151	50 Å²	50	71%	0.706	31%	0.305	S	S	*	.	S	Bend	trans	59	25.8	-178.4	-59.2	-63.5	-49.5	0	0	113.6	D89	D89-Q92 PolarHBondContact O-N 3.37Å; D89-Q92 PolarHBondContact OD1-N 3.3Å; D89-Q92 VanDerWaalsContact OD1-N 3.13Å
93	K	81.9	Confident	87.2	Confident	135 Å²	135	49.9 Å²	49.9	59%	0.587	30%	0.303	S	S	*	.			trans	-97.1	137.1	173.4	-64.7	-172.8	177.3	-172.1	0	109.8	D89 A91	D89-K93 PolarHBondContact N-O 3.5Å; D89-K93 PolarHBondContact OD1-N 3.25Å; A91-K93 PolarHBondContact O-N 2.92Å
94	G	84.8	Confident	87.9	Confident	64 Å²	64	44.9 Å²	44.9	66%	0.66	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	142.8	173.7	0	0	0	0	0	111.8	E87	E87-G94 CarbonylContact O-C 3.55Å; E87-G94 WeakPolarHBondContact O-CA 3.34Å
95	C	87.3	Confident	88.3	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.9	175.2	58.5	0	0	0	0	109.9	K40 F42 E87	K40-C95 HydrophobicContact CB-CB 3.86Å; K40-C95 WeakPolarHBondContact O-CB 3.26Å; F42-C95 HydrophobicContact CD2-CB 3.9Å; F42-C95 HydrophobicContact CE2-CB 3.71Å; F42-C95 WeakPolarHBondContact CE2-SG 3.14Å; E87-C95 PolarHBondContact N-O 2.83Å; E87-C95 PolarHBondContact O-N 2.89Å; E87-C95 PolarHBondContact O-SG 3.4Å; E87-C95 VanDerWaalsContact O-SG 3.34Å
96	T	89.5	Confident	88.9	Confident	51 Å²	51	47.4 Å²	47.4	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.1	176.3	-52	0	0	0	0	109.2	K40 V41 F42 P84 Y98	K40-T96 PolarHBondContact O-N 2.86Å; V41-T96 CarbonylContact C-O 3.52Å; V41-T96 WeakPolarHBondContact CA-O 3.33Å; F42-T96 PolarHBondContact N-O 3.19Å; P84-T96 HydrophobicContact CB-CG2 3.65Å; T96-Y98 HydrophobicContact CG2-CD2 4.32Å; T96-Y98 HydrophobicContact CG2-CE1 4.5Å; T96-Y98 HydrophobicContact CG2-CE2 3.61Å
97	A	90.2	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.1	172.7	0	0	0	0	0	110.4	F42 P84 H85 E87 M149	F42-A97 HydrophobicContact CB-CB 4.22Å; F42-A97 CarbonylContact O-C 3.53Å; F42-A97 VanDerWaalsContact O-CA 3.28Å; F42-A97 WeakPolarHBondContact O-CA 3.44Å; P84-A97 WeakPolarHBondContact CA-O 3.15Å; H85-A97 PolarHBondContact CD2-O 2.87Å; H85-A97 VanDerWaalsContact CD2-O 3.24Å; H85-A97 WeakPolarHBondContact CE1-CB 3.41Å; H85-A97 PolarHBondContact N-O 3.28Å; H85-A97 WeakPolarHBondContact NE2-CB 3.47Å; H85-A97 PolarHBondContact O-N 2.78Å; E87-A97 HydrophobicContact CG-CB 3.89Å; A97-M149 HydrophobicContact CB-CB 4.16Å; A97-M149 HydrophobicContact CB-CG 4.14Å
98	Y	94.2	Very high	89.9	Confident	12 Å²	12	46.6 Å²	46.6	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.8	175.2	-62.1	-89.9	0	0	0	109.4	V41 F42 V43 N44 P84 T96 L128 Y132 I134	V41-Y98 HydrophobicContact CG1-CD2 3.79Å; V41-Y98 HydrophobicContact CG1-CE2 3.66Å; F42-Y98 PolarHBondContact O-N 2.94Å; V43-Y98 CarbonylContact C-O 3.53Å; V43-Y98 WeakPolarHBondContact CA-O 3.23Å; N44-Y98 PolarHBondContact N-O 3.49Å; P84-Y98 HydrophobicContact CB-CD1 4.07Å; P84-Y98 HydrophobicContact CB-CE1 3.45Å; P84-Y98 VanDerWaalsContact CB-CE1 3.45Å; P84-Y98 HydrophobicContact CG-CE1 4.06Å; T96-Y98 HydrophobicContact CG2-CD2 4.32Å; T96-Y98 HydrophobicContact CG2-CE1 4.5Å; T96-Y98 HydrophobicContact CG2-CE2 3.61Å; Y98-L128 HydrophobicContact CD1-CD2 3.44Å; Y98-L128 VanDerWaalsContact CD1-CD2 3.44Å; Y98-L128 HydrophobicContact CD2-CD1 4.29Å; Y98-L128 HydrophobicContact CD2-CD2 4.16Å; Y98-L128 HydrophobicContact CE1-CD2 3.91Å; Y98-L128 HydrophobicContact CG-CD1 4.35Å; Y98-L128 HydrophobicContact CG-CD2 3.57Å; Y98-Y132 HydrophobicContact CD1-CD2 4.17Å; Y98-Y132 AromaticContact CD1-CE2 3.84Å; Y98-Y132 HydrophobicContact CD1-CE2 3.84Å; Y98-Y132 AromaticContact CE1-CD2 3.5Å; Y98-Y132 HydrophobicContact CE1-CD2 3.5Å; Y98-Y132 AromaticContact CE1-CE2 3.59Å; Y98-Y132 HydrophobicContact CE1-CE2 3.59Å; Y98-Y132 HydrophobicContact CE1-CG 4.24Å; Y98-I134 HydrophobicContact CE2-CD1 4.37Å
99	D	92.1	Very high	90.6	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.1	173.2	-64.1	-42.3	0	0	0	110.5	N44 G82 H85 P152 Q153 Q155	N44-D99 VanDerWaalsContact CB-OD1 3.26Å; N44-D99 WeakPolarHBondContact CB-OD1 3.36Å; N44-D99 PolarHBondContact ND2-OD1 3.21Å; G82-D99 PolarHBondContact N-O 3.26Å; H85-D99 IonicContact NE2-OD1 3.49Å; H85-D99 IonicContact NE2-OD2 3.51Å; D99-P152 WeakPolarHBondContact OD2-CA 3.02Å; D99-Q153 PolarHBondContact OD2-N 2.98Å; D99-Q155 PolarHBondContact O-NE2 3.34Å
100	V	94.7	Very high	91.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.2	175.3	178.8	0	0	0	0	109	V43 N44 I45 C46 M79 C80 I81 I102 I124	V43-V100 HydrophobicContact CG1-CB 4.26Å; V43-V100 HydrophobicContact CG1-CG2 3.61Å; N44-V100 PolarHBondContact O-N 2.9Å; I45-V100 HydrophobicContact CD1-CB 4.24Å; C46-V100 PolarHBondContact N-O 3.43Å; M79-V100 HydrophobicContact CB-CG1 4.15Å; M79-V100 HydrophobicContact SD-CG1 3.98Å; C80-V100 CarbonylContact O-C 3.58Å; C80-V100 WeakPolarHBondContact O-CA 3.07Å; I81-V100 HydrophobicContact CG1-CG2 4.42Å; V100-I102 HydrophobicContact CG1-CG2 4.46Å; V100-I124 HydrophobicContact CB-CD1 4.25Å; V100-I124 HydrophobicContact CG1-CD1 3.78Å; V100-I124 HydrophobicContact CG1-CG1 4.01Å; V100-I124 HydrophobicContact CG2-CD1 4.46Å; V100-I124 HydrophobicContact CG2-CG2 4.03Å
101	I	92.2	Very high	92.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.6	-177.9	-46.1	169.4	0	0	0	109	I23 P25 C46 V51 M79 C80 Q155	I23-I101 HydrophobicContact CB-CD1 4.46Å; I23-I101 HydrophobicContact CG2-CD1 3.94Å; P25-I101 HydrophobicContact CB-CB 4.48Å; P25-I101 HydrophobicContact CB-CD1 3.71Å; P25-I101 HydrophobicContact CB-CG1 3.75Å; P25-I101 HydrophobicContact CB-CG2 3.92Å; P25-I101 HydrophobicContact CG-CD1 3.75Å; P25-I101 HydrophobicContact CG-CG1 3.98Å; C46-I101 HydrophobicContact CB-CG1 4.37Å; C46-I101 WeakPolarHBondContact O-CA 3.28Å; V51-I101 HydrophobicContact CG2-CB 4.16Å; V51-I101 HydrophobicContact CG2-CG2 3.69Å; M79-I101 CarbonylContact C-O 3.52Å; M79-I101 VanDerWaalsContact CA-O 3.22Å; M79-I101 WeakPolarHBondContact CA-O 3.32Å; C80-I101 HydrophobicContact CB-CB 4.17Å; C80-I101 HydrophobicContact CB-CD1 4.34Å; C80-I101 HydrophobicContact CB-CG1 4.5Å; C80-I101 PolarHBondContact N-O 3.37Å; C80-I101 PolarHBondContact O-N 2.82Å; I101-Q155 HydrophobicContact CD1-CB 4.05Å; I101-Q155 HydrophobicContact CD1-CG 3.83Å
102	I	94.3	Very high	92.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	168.3	172.7	57.2	168.1	0	0	0	111.1	I45 C46 T47 S48 M79 V100 F106 Y107 L120	I45-I102 HydrophobicContact CG2-CD1 3.9Å; I45-I102 HydrophobicContact CG2-CG1 4.08Å; C46-I102 PolarHBondContact O-N 3.42Å; T47-I102 VanDerWaalsContact CA-O 3.23Å; T47-I102 WeakPolarHBondContact CA-O 3.44Å; S48-I102 PolarHBondContact N-O 3.19Å; S48-I102 VanDerWaalsContact N-O 3.1Å; M79-I102 HydrophobicContact CB-CG2 3.74Å; V100-I102 HydrophobicContact CG1-CG2 4.46Å; I102-F106 HydrophobicContact CD1-CD1 4.04Å; I102-Y107 HydrophobicContact CD1-CD2 4.08Å; I102-Y107 HydrophobicContact CD1-CG 4.46Å; I102-Y107 HydrophobicContact CG1-CD2 4.46Å; I102-L120 HydrophobicContact CD1-CD2 3.83Å; I102-L120 HydrophobicContact CG2-CD1 4.35Å
103	N	93.8	Very high	93.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.218	C	C	.	.			trans	-66.9	136.2	174.5	-173.3	-81	0	0	0	111.4	V51 I53 Q105 F106 Y107	V51-N103 WeakPolarHBondContact O-CB 3.42Å; V51-N103 PolarHBondContact O-ND2 3.31Å; I53-N103 HydrophobicContact CG1-CB 4.21Å; I53-N103 WeakPolarHBondContact CG1-ND2 3.42Å; I53-N103 WeakPolarHBondContact CG1-OD1 3.34Å; N103-Q105 VanDerWaalsContact C-N 3.29Å; N103-Q105 PolarHBondContact O-N 3.06Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.33Å; N103-Q105 PolarHBondContact OD1-N 3.49Å; N103-F106 PolarHBondContact O-N 3.42Å; N103-Y107 PolarHBondContact O-N 2.95Å
104	P	96.7	Very high	94.2	Very high	23 Å²	23	41.9 Å²	41.9	15%	0.149	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-29.9	-179.1	21	-33	0	0	0	114.9	T47 S48 E49 Y107 Q108	T47-P104 HydrophobicContact CG2-CB 4.34Å; S48-P104 VanDerWaalsContact C-CD 3.5Å; S48-P104 WeakPolarHBondContact O-CD 3.4Å; E49-P104 HydrophobicContact CG-CG 4.07Å; E49-P104 WeakPolarHBondContact OE1-CG 3.43Å; E49-P104 WeakPolarHBondContact OE2-CG 3.43Å; P104-Y107 WeakPolarHBondContact O-CB 3.47Å; P104-Y107 PolarHBondContact O-N 3.49Å; P104-Q108 WeakPolarHBondContact O-CG 3.23Å; P104-Q108 PolarHBondContact O-N 3.39Å
105	Q	96.1	Very high	94.7	Very high	120 Å²	120	40.7 Å²	40.7	56%	0.561	21%	0.207	S	C	*	.	H	α-helix	trans	-67.3	-46.6	175.8	-64.4	-174.5	-21.3	0	0	111.3	N103 Y107 Q108 K109	N103-Q105 VanDerWaalsContact C-N 3.29Å; N103-Q105 PolarHBondContact O-N 3.06Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.33Å; N103-Q105 PolarHBondContact OD1-N 3.49Å; Q105-Y107 VanDerWaalsContact C-N 3.3Å; Q105-Y107 PolarHBondContact O-N 3.09Å; Q105-Q108 PolarHBondContact O-N 3.22Å; Q105-K109 PolarHBondContact O-N 3.18Å
106	F	96.8	Very high	95.2	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-35.7	175.4	-176.3	-110.9	0	0	0	112.1	P54 F75 V77 I102 N103 Q108 K109 V110 F116 L120	P54-F106 HydrophobicContact CG-CB 3.63Å; P54-F106 HydrophobicContact CG-CD1 4.11Å; P54-F106 HydrophobicContact CG-CD2 3.34Å; P54-F106 HydrophobicContact CG-CE2 3.99Å; P54-F106 HydrophobicContact CG-CG 3.41Å; P54-F106 VanDerWaalsContact CG-CG 3.41Å; F75-F106 HydrophobicContact CZ-CE2 4.18Å; V77-F106 HydrophobicContact CB-CE1 4.4Å; V77-F106 HydrophobicContact CG1-CD1 3.88Å; V77-F106 HydrophobicContact CG1-CE1 3.48Å; V77-F106 VanDerWaalsContact CG1-CE1 3.48Å; V77-F106 HydrophobicContact CG1-CZ 4.11Å; V77-F106 HydrophobicContact CG2-CE1 3.94Å; V77-F106 HydrophobicContact CG2-CE2 4.39Å; V77-F106 HydrophobicContact CG2-CZ 3.68Å; I102-F106 HydrophobicContact CD1-CD1 4.04Å; N103-F106 PolarHBondContact O-N 3.42Å; F106-Q108 VanDerWaalsContact C-N 3.29Å; F106-Q108 PolarHBondContact O-N 3.34Å; F106-K109 HydrophobicContact CD2-CD 4.28Å; F106-K109 HydrophobicContact CE2-CD 4.43Å; F106-K109 VanDerWaalsContact O-CB 3.32Å; F106-K109 WeakPolarHBondContact O-CB 3.34Å; F106-K109 PolarHBondContact O-N 2.9Å; F106-K109 VanDerWaalsContact O-N 3.09Å; F106-V110 HydrophobicContact CD1-CG2 3.97Å; F106-V110 HydrophobicContact CE1-CG2 3.54Å; F106-V110 HydrophobicContact CE2-CG2 4.41Å; F106-V110 HydrophobicContact CZ-CG2 3.8Å; F106-V110 WeakPolarHBondContact O-CG2 3.15Å; F106-V110 PolarHBondContact O-N 3.01Å; F106-F116 AromaticContact CE2-CD1 3.7Å; F106-F116 HydrophobicContact CE2-CD1 3.7Å; F106-F116 HydrophobicContact CE2-CE1 4.07Å; F106-F116 HydrophobicContact CZ-CD1 4.01Å; F106-L120 HydrophobicContact CE1-CD1 4.23Å
107	Y	97.7	Very high	95.6	Very high	21 Å²	21	40.3 Å²	40.3	8%	0.082	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-40.4	173	174.5	-90.5	0	0	0	112.7	G28 F29 I45 T47 I102 N103 P104 Q105 K109 V110 K111	G28-Y107 WeakPolarHBondContact CA-OH 3.4Å; F29-Y107 HydrophobicContact CD1-CD2 4.38Å; F29-Y107 AromaticContact CD1-CE2 3.38Å; F29-Y107 HydrophobicContact CD1-CE2 3.38Å; F29-Y107 AromaticContact CD1-CZ 3.79Å; F29-Y107 HydrophobicContact CE1-CD2 4.12Å; F29-Y107 AromaticContact CE1-CE2 3.54Å; F29-Y107 HydrophobicContact CE1-CE2 3.54Å; F29-Y107 PolarHBondContact N-OH 3.34Å; I45-Y107 HydrophobicContact CG2-CD2 3.96Å; I45-Y107 HydrophobicContact CG2-CE2 4.11Å; T47-Y107 HydrophobicContact CG2-CD1 3.99Å; T47-Y107 HydrophobicContact CG2-CD2 3.6Å; T47-Y107 HydrophobicContact CG2-CE2 4.26Å; T47-Y107 HydrophobicContact CG2-CG 3.45Å; T47-Y107 VanDerWaalsContact CG2-CG 3.45Å; I102-Y107 HydrophobicContact CD1-CD2 4.08Å; I102-Y107 HydrophobicContact CD1-CG 4.46Å; I102-Y107 HydrophobicContact CG1-CD2 4.46Å; N103-Y107 PolarHBondContact O-N 2.95Å; P104-Y107 WeakPolarHBondContact O-CB 3.47Å; P104-Y107 PolarHBondContact O-N 3.49Å; Q105-Y107 VanDerWaalsContact C-N 3.3Å; Q105-Y107 PolarHBondContact O-N 3.09Å; Y107-K109 VanDerWaalsContact C-N 3.33Å; Y107-K109 PolarHBondContact O-N 2.83Å; Y107-V110 PolarHBondContact O-N 3.04Å; Y107-K111 HydrophobicContact CD1-CD 4.2Å; Y107-K111 HydrophobicContact CD1-CG 4.5Å; Y107-K111 HydrophobicContact CE1-CD 3.46Å; Y107-K111 VanDerWaalsContact CE1-CD 3.46Å; Y107-K111 HydrophobicContact CE1-CG 4.1Å; Y107-K111 PolarHBondContact O-N 2.87Å
108	Q	97.5	Very high	95.8	Very high	107 Å²	107	42.1 Å²	42.1	50%	0.5	22%	0.215	S	C	.	.	H	α-helix	trans	-63.1	-41.8	175.1	-63.1	-51	-39.1	0	0	111.8	P104 Q105 F106 V110 K111 S112	P104-Q108 WeakPolarHBondContact O-CG 3.23Å; P104-Q108 PolarHBondContact O-N 3.39Å; Q105-Q108 PolarHBondContact O-N 3.22Å; F106-Q108 VanDerWaalsContact C-N 3.29Å; F106-Q108 PolarHBondContact O-N 3.34Å; Q108-V110 PolarHBondContact O-N 3.15Å; Q108-K111 WeakPolarHBondContact O-CB 3.43Å; Q108-K111 PolarHBondContact O-N 2.98Å; Q108-S112 PolarHBondContact O-N 3.18Å; Q108-S112 VanDerWaalsContact O-N 3.12Å; Q108-S112 PolarHBondContact O-OG 3.22Å
109	K	97.1	Very high	95.9	Very high	45 Å²	45	42 Å²	42	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-44.6	177.5	-170.1	176.7	-167.4	169.6	0	112.5	D56 L57 Q105 F106 Y107 K111 S112 S113 F116	D56-K109 IonicContact OD1-NZ 3.43Å; D56-K109 PolarHBondContact OD1-NZ 2.97Å; L57-K109 VanDerWaalsContact N-NZ 3.17Å; L57-K109 WeakPolarHBondContact O-CE 3.29Å; L57-K109 PolarHBondContact O-NZ 3.3Å; Q105-K109 PolarHBondContact O-N 3.18Å; F106-K109 HydrophobicContact CD2-CD 4.28Å; F106-K109 HydrophobicContact CE2-CD 4.43Å; F106-K109 VanDerWaalsContact O-CB 3.32Å; F106-K109 WeakPolarHBondContact O-CB 3.34Å; F106-K109 PolarHBondContact O-N 2.9Å; F106-K109 VanDerWaalsContact O-N 3.09Å; Y107-K109 VanDerWaalsContact C-N 3.33Å; Y107-K109 PolarHBondContact O-N 2.83Å; K109-K111 VanDerWaalsContact C-N 3.3Å; K109-K111 PolarHBondContact O-N 2.95Å; K109-S112 PolarHBondContact O-N 2.82Å; K109-S112 VanDerWaalsContact O-N 3.08Å; K109-S113 PolarHBondContact O-N 2.75Å; K109-S113 VanDerWaalsContact O-N 3.14Å; K109-F116 HydrophobicContact CD-CD1 4.34Å; K109-F116 HydrophobicContact CD-CD2 4.44Å; K109-F116 HydrophobicContact CD-CE1 4.25Å; K109-F116 HydrophobicContact CD-CE2 4.37Å; K109-F116 HydrophobicContact CD-CG 4.45Å; K109-F116 HydrophobicContact CD-CZ 4.3Å; K109-F116 VanDerWaalsContact CE-CZ 3.44Å; K109-F116 HydrophobicContact CG-CD2 4.21Å; K109-F116 HydrophobicContact CG-CG 4.26Å
110	V	97.6	Very high	96.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-43.3	174.1	165.1	0	0	0	0	111.2	F29 F106 Y107 Q108 S112 S113 F116 E117 L120	F29-V110 HydrophobicContact CE1-CG1 4.32Å; F29-V110 HydrophobicContact CZ-CG1 4.2Å; F106-V110 HydrophobicContact CD1-CG2 3.97Å; F106-V110 HydrophobicContact CE1-CG2 3.54Å; F106-V110 HydrophobicContact CE2-CG2 4.41Å; F106-V110 HydrophobicContact CZ-CG2 3.8Å; F106-V110 WeakPolarHBondContact O-CG2 3.15Å; F106-V110 PolarHBondContact O-N 3.01Å; Y107-V110 PolarHBondContact O-N 3.04Å; Q108-V110 PolarHBondContact O-N 3.15Å; V110-S112 PolarHBondContact O-N 2.8Å; V110-S113 PolarHBondContact O-N 3.43Å; V110-S113 VanDerWaalsContact O-O 3.13Å; V110-F116 HydrophobicContact CG2-CB 4.26Å; V110-E117 HydrophobicContact CG1-CB 4.2Å; V110-E117 HydrophobicContact CG1-CG 4.41Å; V110-L120 HydrophobicContact CG1-CD2 4.01Å; V110-L120 HydrophobicContact CG2-CB 4.25Å; V110-L120 HydrophobicContact CG2-CD2 3.91Å
111	K	95.9	Very high	96.2	Very high	128 Å²	128	41.9 Å²	41.9	56%	0.557	21%	0.214	S	C	*	.	H	α-helix	trans	-66.9	-21.4	177	-78.2	-164.3	71.9	-164.1	0	114.5	F29 Y107 Q108 K109	F29-K111 HydrophobicContact CE1-CG 4.47Å; Y107-K111 HydrophobicContact CD1-CD 4.2Å; Y107-K111 HydrophobicContact CD1-CG 4.5Å; Y107-K111 HydrophobicContact CE1-CD 3.46Å; Y107-K111 VanDerWaalsContact CE1-CD 3.46Å; Y107-K111 HydrophobicContact CE1-CG 4.1Å; Y107-K111 PolarHBondContact O-N 2.87Å; Q108-K111 WeakPolarHBondContact O-CB 3.43Å; Q108-K111 PolarHBondContact O-N 2.98Å; K109-K111 VanDerWaalsContact C-N 3.3Å; K109-K111 PolarHBondContact O-N 2.95Å
112	S	96.1	Very high	96.3	Very high	106 Å²	106	43.5 Å²	43.5	74%	0.741	22%	0.224	S	C	*	.	H	α-helix	trans	-99.6	-5.8	-177.4	-63.4	0	0	0	0	113.5	Q108 K109 V110	Q108-S112 PolarHBondContact O-N 3.18Å; Q108-S112 VanDerWaalsContact O-N 3.12Å; Q108-S112 PolarHBondContact O-OG 3.22Å; K109-S112 PolarHBondContact O-N 2.82Å; K109-S112 VanDerWaalsContact O-N 3.08Å; V110-S112 PolarHBondContact O-N 2.8Å
113	S	97.5	Very high	96.2	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.07	22%	0.224	C	C	.	.			trans	-141.4	118.4	-174.6	171.6	0	0	0	0	111.6	E59 K109 V110 L115 F116 E117	E59-S113 WeakPolarHBondContact OE1-CB 3.33Å; E59-S113 PolarHBondContact OE1-OG 2.91Å; K109-S113 PolarHBondContact O-N 2.75Å; K109-S113 VanDerWaalsContact O-N 3.14Å; V110-S113 PolarHBondContact O-N 3.43Å; V110-S113 VanDerWaalsContact O-O 3.13Å; S113-L115 PolarHBondContact O-N 3.3Å; S113-L115 PolarHBondContact OG-N 2.79Å; S113-F116 PolarHBondContact O-N 3.11Å; S113-F116 WeakPolarHBondContact OG-CD2 3.34Å; S113-F116 PolarHBondContact OG-N 3Å; S113-E117 PolarHBondContact O-N 3.11Å
114	E	96.1	Very high	96.3	Very high	171 Å²	171	43.4 Å²	43.4	80%	0.799	22%	0.224	S	C	*	.	H	α-helix	trans	-61.5	-31.3	174.4	-64.5	-175.5	171.2	0	0	111.9	A118	E114-A118 WeakPolarHBondContact O-CB 3.28Å; E114-A118 PolarHBondContact O-N 2.74Å
115	L	96.3	Very high	96.2	Very high	38 Å²	38	42.3 Å²	42.3	20%	0.199	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-48	176.5	179.9	65.8	0	0	0	111.2	E59 L62 R63 L66 S113 E117 A118 F119	E59-L115 HydrophobicContact CB-CD2 3.88Å; E59-L115 HydrophobicContact CG-CD2 4.26Å; E59-L115 WeakPolarHBondContact O-CD2 3.42Å; L62-L115 HydrophobicContact CB-CD2 4.21Å; L62-L115 HydrophobicContact CD2-CD2 4Å; L62-L115 HydrophobicContact CD2-CG 3.85Å; L62-L115 HydrophobicContact CG-CD2 4.19Å; L62-L115 HydrophobicContact CG-CG 4.41Å; R63-L115 HydrophobicContact CG-CD2 3.75Å; L66-L115 HydrophobicContact CD1-CD1 4.13Å; S113-L115 PolarHBondContact O-N 3.3Å; S113-L115 PolarHBondContact OG-N 2.79Å; L115-E117 VanDerWaalsContact C-N 3.34Å; L115-A118 PolarHBondContact O-N 2.88Å; L115-F119 VanDerWaalsContact O-CB 3.3Å; L115-F119 WeakPolarHBondContact O-CB 3.27Å; L115-F119 PolarHBondContact O-N 3.42Å
116	F	97.5	Very high	95.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-33.4	176.8	-82.5	-83.5	0	0	0	112.1	L57 E59 L62 F75 F106 K109 V110 S113 L120	L57-F116 HydrophobicContact CB-CZ 4.28Å; L57-F116 WeakPolarHBondContact O-CZ 3.43Å; E59-F116 HydrophobicContact CG-CD2 4.24Å; E59-F116 HydrophobicContact CG-CE2 4.06Å; L62-F116 HydrophobicContact CB-CZ 4.09Å; L62-F116 HydrophobicContact CD2-CD1 3.83Å; L62-F116 HydrophobicContact CD2-CD2 4.2Å; L62-F116 HydrophobicContact CD2-CE1 3.65Å; L62-F116 HydrophobicContact CD2-CE2 4.02Å; L62-F116 HydrophobicContact CD2-CG 4.1Å; L62-F116 HydrophobicContact CD2-CZ 3.71Å; F75-F116 AromaticContact CE1-CE1 3.9Å; F75-F116 HydrophobicContact CE1-CE1 3.9Å; F75-F116 HydrophobicContact CZ-CE1 4.18Å; F106-F116 AromaticContact CE2-CD1 3.7Å; F106-F116 HydrophobicContact CE2-CD1 3.7Å; F106-F116 HydrophobicContact CE2-CE1 4.07Å; F106-F116 HydrophobicContact CZ-CD1 4.01Å; K109-F116 HydrophobicContact CD-CD1 4.34Å; K109-F116 HydrophobicContact CD-CD2 4.44Å; K109-F116 HydrophobicContact CD-CE1 4.25Å; K109-F116 HydrophobicContact CD-CE2 4.37Å; K109-F116 HydrophobicContact CD-CG 4.45Å; K109-F116 HydrophobicContact CD-CZ 4.3Å; K109-F116 VanDerWaalsContact CE-CZ 3.44Å; K109-F116 HydrophobicContact CG-CD2 4.21Å; K109-F116 HydrophobicContact CG-CG 4.26Å; V110-F116 HydrophobicContact CG2-CB 4.26Å; S113-F116 PolarHBondContact O-N 3.11Å; S113-F116 WeakPolarHBondContact OG-CD2 3.34Å; S113-F116 PolarHBondContact OG-N 3Å; F116-L120 WeakPolarHBondContact O-CB 3.34Å; F116-L120 PolarHBondContact O-N 2.88Å
117	E	96.6	Very high	95.3	Very high	51 Å²	51	37.9 Å²	37.9	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-53.9	171	-172	-172.1	139.9	0	0	111.2	V110 S113 L115 F119 L120 M121 W140 V142	V110-E117 HydrophobicContact CG1-CB 4.2Å; V110-E117 HydrophobicContact CG1-CG 4.41Å; S113-E117 PolarHBondContact O-N 3.11Å; L115-E117 VanDerWaalsContact C-N 3.34Å; E117-F119 VanDerWaalsContact C-N 3.3Å; E117-F119 PolarHBondContact O-N 3.45Å; E117-L120 PolarHBondContact O-N 2.85Å; E117-M121 HydrophobicContact CG-CG 4.42Å; E117-M121 VanDerWaalsContact O-CG 3.29Å; E117-M121 WeakPolarHBondContact O-CG 3.32Å; E117-M121 PolarHBondContact O-N 2.77Å; E117-W140 PolarHBondContact OE1-NE1 2.8Å; E117-V142 VanDerWaalsContact OE1-CG2 3.29Å; E117-V142 WeakPolarHBondContact OE1-CG2 3.42Å
118	A	96	Very high	94.9	Very high	37 Å²	37	36.9 Å²	36.9	31%	0.306	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-39.6	-179.9	0	0	0	0	0	112.3	E114 L115 M121 T122 W140	E114-A118 WeakPolarHBondContact O-CB 3.28Å; E114-A118 PolarHBondContact O-N 2.74Å; L115-A118 PolarHBondContact O-N 2.88Å; A118-M121 PolarHBondContact O-N 3.18Å; A118-T122 PolarHBondContact O-N 2.8Å; A118-T122 PolarHBondContact O-OG1 2.92Å; A118-W140 HydrophobicContact CB-CH2 4.19Å; A118-W140 HydrophobicContact CB-CZ2 4.37Å
119	F	95.7	Very high	94.5	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.039	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-51.3	174.7	177.9	-103.7	0	0	0	111.5	I3 V7 L62 L66 F75 V77 L115 E117 M121 T122 V123	I3-F119 HydrophobicContact CG2-CD2 4.36Å; I3-F119 HydrophobicContact CG2-CE2 3.68Å; I3-F119 HydrophobicContact CG2-CZ 4.26Å; V7-F119 HydrophobicContact CG2-CZ 4.38Å; L62-F119 HydrophobicContact CD1-CD2 4.09Å; L62-F119 HydrophobicContact CD1-CE2 4.2Å; L62-F119 HydrophobicContact CD1-CG 4.25Å; L62-F119 HydrophobicContact CD1-CZ 4.47Å; L62-F119 HydrophobicContact CD2-CB 4.1Å; L62-F119 HydrophobicContact CD2-CD1 4.49Å; L62-F119 HydrophobicContact CD2-CG 4.18Å; L66-F119 HydrophobicContact CD2-CD2 4.09Å; L66-F119 HydrophobicContact CD2-CE2 4.23Å; F75-F119 HydrophobicContact CD1-CD1 4.22Å; F75-F119 AromaticContact CD1-CE1 3.38Å; F75-F119 HydrophobicContact CD1-CE1 3.38Å; F75-F119 AromaticContact CD1-CZ 3.58Å; F75-F119 HydrophobicContact CD1-CZ 3.58Å; F75-F119 HydrophobicContact CE1-CD1 4.05Å; F75-F119 AromaticContact CE1-CE1 3.47Å; F75-F119 HydrophobicContact CE1-CE1 3.47Å; F75-F119 VanDerWaalsContact CE1-CE1 3.47Å; F75-F119 HydrophobicContact CE1-CZ 4.16Å; V77-F119 HydrophobicContact CG2-CD1 4.38Å; V77-F119 HydrophobicContact CG2-CE1 3.68Å; L115-F119 VanDerWaalsContact O-CB 3.3Å; L115-F119 WeakPolarHBondContact O-CB 3.27Å; L115-F119 PolarHBondContact O-N 3.42Å; E117-F119 VanDerWaalsContact C-N 3.3Å; E117-F119 PolarHBondContact O-N 3.45Å; F119-M121 VanDerWaalsContact C-N 3.35Å; F119-M121 PolarHBondContact O-N 2.93Å; F119-T122 PolarHBondContact O-N 3.28Å; F119-V123 HydrophobicContact CD1-CG2 4.4Å; F119-V123 HydrophobicContact CE1-CG2 4Å; F119-V123 HydrophobicContact CE2-CG2 4.15Å; F119-V123 HydrophobicContact CZ-CG2 3.86Å; F119-V123 WeakPolarHBondContact O-CG2 3.48Å; F119-V123 PolarHBondContact O-N 3.5Å
120	L	96.4	Very high	93.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-44.6	177.8	176.8	64.7	0	0	0	111.5	I45 V77 I102 F106 V110 F116 E117 T122 V123 I124	I45-L120 HydrophobicContact CG2-CD2 4.46Å; V77-L120 HydrophobicContact CG1-CD1 4.08Å; I102-L120 HydrophobicContact CD1-CD2 3.83Å; I102-L120 HydrophobicContact CG2-CD1 4.35Å; F106-L120 HydrophobicContact CE1-CD1 4.23Å; V110-L120 HydrophobicContact CG1-CD2 4.01Å; V110-L120 HydrophobicContact CG2-CB 4.25Å; V110-L120 HydrophobicContact CG2-CD2 3.91Å; F116-L120 WeakPolarHBondContact O-CB 3.34Å; F116-L120 PolarHBondContact O-N 2.88Å; E117-L120 PolarHBondContact O-N 2.85Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 3.06Å; L120-V123 WeakPolarHBondContact O-CB 3.13Å; L120-V123 PolarHBondContact O-N 2.99Å; L120-I124 HydrophobicContact CD1-CD1 3.74Å; L120-I124 HydrophobicContact CD1-CG1 3.87Å; L120-I124 HydrophobicContact CD2-CD1 4.06Å; L120-I124 HydrophobicContact CG-CD1 3.62Å; L120-I124 HydrophobicContact CG-CG1 4.13Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.33Å; L120-I124 PolarHBondContact O-N 3.1Å
121	M	96.6	Very high	93	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-41	-179.9	-68.5	-52.7	110.7	0	0	111.7	F29 V31 I45 E117 A118 F119 I124 F125 W140	F29-M121 HydrophobicContact CE2-CE 4.11Å; F29-M121 HydrophobicContact CZ-CE 4.05Å; V31-M121 HydrophobicContact CB-SD 4.48Å; V31-M121 HydrophobicContact CG1-SD 4.22Å; V31-M121 HydrophobicContact CG2-CE 4.39Å; V31-M121 HydrophobicContact CG2-SD 3.76Å; I45-M121 HydrophobicContact CD1-CE 4.09Å; I45-M121 HydrophobicContact CG1-CE 4.15Å; E117-M121 HydrophobicContact CG-CG 4.42Å; E117-M121 VanDerWaalsContact O-CG 3.29Å; E117-M121 WeakPolarHBondContact O-CG 3.32Å; E117-M121 PolarHBondContact O-N 2.77Å; A118-M121 PolarHBondContact O-N 3.18Å; F119-M121 VanDerWaalsContact C-N 3.35Å; F119-M121 PolarHBondContact O-N 2.93Å; M121-I124 HydrophobicContact CE-CD1 4.1Å; M121-I124 PolarHBondContact O-N 2.97Å; M121-F125 HydrophobicContact CB-CE2 4.05Å; M121-F125 HydrophobicContact CB-CZ 4.02Å; M121-F125 HydrophobicContact CG-CZ 4.49Å; M121-F125 WeakPolarHBondContact O-CD1 3.39Å; M121-F125 VanDerWaalsContact O-CD2 3.29Å; M121-F125 WeakPolarHBondContact O-CD2 3.23Å; M121-F125 WeakPolarHBondContact O-CG 3.35Å; M121-F125 PolarHBondContact O-N 2.88Å; M121-F125 HydrophobicContact SD-CZ 4.31Å; M121-W140 HydrophobicContact CB-CD2 4.2Å; M121-W140 HydrophobicContact CB-CE3 4.39Å; M121-W140 HydrophobicContact CB-CH2 4.04Å; M121-W140 HydrophobicContact CB-CZ2 3.85Å; M121-W140 HydrophobicContact CB-CZ3 4.31Å; M121-W140 HydrophobicContact CG-CD2 4.1Å; M121-W140 HydrophobicContact CG-CG 4.46Å; M121-W140 HydrophobicContact CG-CH2 4.46Å; M121-W140 HydrophobicContact CG-CZ2 3.77Å
122	T	94.2	Very high	92.4	Very high	34 Å²	34	36.1 Å²	36.1	21%	0.209	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-48.9	176.3	-55.5	0	0	0	0	111.1	I3 A118 F119 L120 I124 F125 E126	I3-T122 HydrophobicContact CB-CG2 4.49Å; I3-T122 HydrophobicContact CD1-CG2 3.79Å; A118-T122 PolarHBondContact O-N 2.8Å; A118-T122 PolarHBondContact O-OG1 2.92Å; F119-T122 PolarHBondContact O-N 3.28Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 3.06Å; T122-I124 VanDerWaalsContact C-N 3.34Å; T122-I124 PolarHBondContact O-N 3.45Å; T122-F125 PolarHBondContact O-N 3.27Å; T122-E126 WeakPolarHBondContact O-CB 3.47Å; T122-E126 WeakPolarHBondContact O-CG 3.49Å; T122-E126 PolarHBondContact O-N 3.4Å
123	V	92.1	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-45.7	175.9	167.3	0	0	0	0	111.5	I3 F4 V7 M79 F119 L120 G127	I3-V123 HydrophobicContact CG2-CG2 3.49Å; I3-V123 VanDerWaalsContact CG2-CG2 3.49Å; F4-V123 WeakPolarHBondContact CE2-O 3.22Å; V7-V123 HydrophobicContact CB-CG1 4.11Å; V7-V123 HydrophobicContact CB-CG2 4.49Å; V7-V123 HydrophobicContact CG1-CG1 3.66Å; V7-V123 HydrophobicContact CG2-CG1 4.23Å; V7-V123 HydrophobicContact CG2-CG2 3.78Å; M79-V123 HydrophobicContact CE-CG1 3.37Å; M79-V123 HydrophobicContact SD-CG1 4.15Å; F119-V123 HydrophobicContact CD1-CG2 4.4Å; F119-V123 HydrophobicContact CE1-CG2 4Å; F119-V123 HydrophobicContact CE2-CG2 4.15Å; F119-V123 HydrophobicContact CZ-CG2 3.86Å; F119-V123 WeakPolarHBondContact O-CG2 3.48Å; F119-V123 PolarHBondContact O-N 3.5Å; L120-V123 WeakPolarHBondContact O-CB 3.13Å; L120-V123 PolarHBondContact O-N 2.99Å; V123-G127 PolarHBondContact O-N 2.64Å
124	I	95.6	Very high	91.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-46.3	-179.8	-74.7	178.1	0	0	0	111.7	V43 I45 M79 V100 L120 M121 T122 G127 L128	V43-I124 HydrophobicContact CG1-CG2 3.93Å; I45-I124 HydrophobicContact CD1-CD1 3.32Å; M79-I124 HydrophobicContact SD-CG1 3.8Å; V100-I124 HydrophobicContact CB-CD1 4.25Å; V100-I124 HydrophobicContact CG1-CD1 3.78Å; V100-I124 HydrophobicContact CG1-CG1 4.01Å; V100-I124 HydrophobicContact CG2-CD1 4.46Å; V100-I124 HydrophobicContact CG2-CG2 4.03Å; L120-I124 HydrophobicContact CD1-CD1 3.74Å; L120-I124 HydrophobicContact CD1-CG1 3.87Å; L120-I124 HydrophobicContact CD2-CD1 4.06Å; L120-I124 HydrophobicContact CG-CD1 3.62Å; L120-I124 HydrophobicContact CG-CG1 4.13Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.33Å; L120-I124 PolarHBondContact O-N 3.1Å; M121-I124 HydrophobicContact CE-CD1 4.1Å; M121-I124 PolarHBondContact O-N 2.97Å; T122-I124 VanDerWaalsContact C-N 3.34Å; T122-I124 PolarHBondContact O-N 3.45Å; I124-G127 PolarHBondContact O-N 3.46Å; I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.4Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 3.47Å
125	F	95	Very high	91.1	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-45.3	-177.3	-59.9	-20.8	0	0	0	111	V31 L33 M121 T122 G127 L128 E129 L136 W140	V31-F125 HydrophobicContact CG1-CZ 4.41Å; L33-F125 HydrophobicContact CD1-CD1 3.79Å; L33-F125 HydrophobicContact CD1-CD2 4.36Å; L33-F125 HydrophobicContact CD1-CE1 3.55Å; L33-F125 HydrophobicContact CD1-CE2 4.12Å; L33-F125 HydrophobicContact CD1-CG 4.22Å; L33-F125 HydrophobicContact CD1-CZ 3.74Å; L33-F125 HydrophobicContact CD2-CE1 4.24Å; L33-F125 HydrophobicContact CG-CE1 4.49Å; M121-F125 HydrophobicContact CB-CE2 4.05Å; M121-F125 HydrophobicContact CB-CZ 4.02Å; M121-F125 HydrophobicContact CG-CZ 4.49Å; M121-F125 WeakPolarHBondContact O-CD1 3.39Å; M121-F125 VanDerWaalsContact O-CD2 3.29Å; M121-F125 WeakPolarHBondContact O-CD2 3.23Å; M121-F125 WeakPolarHBondContact O-CG 3.35Å; M121-F125 PolarHBondContact O-N 2.88Å; M121-F125 HydrophobicContact SD-CZ 4.31Å; T122-F125 PolarHBondContact O-N 3.27Å; F125-G127 PolarHBondContact O-N 2.83Å; F125-L128 PolarHBondContact O-N 2.73Å; F125-E129 WeakPolarHBondContact O-CB 3.13Å; F125-E129 WeakPolarHBondContact O-CG 3.36Å; F125-E129 PolarHBondContact O-N 3.2Å; F125-L136 HydrophobicContact CB-CB 4.47Å; F125-L136 HydrophobicContact CB-CD1 4.02Å; F125-L136 HydrophobicContact CD1-CD1 4.12Å; F125-L136 HydrophobicContact CG-CD1 4.3Å; F125-W140 HydrophobicContact CE2-CB 4.32Å; F125-W140 HydrophobicContact CE2-CD2 4.17Å; F125-W140 AromaticContact CE2-CE3 3.7Å; F125-W140 HydrophobicContact CE2-CE3 3.7Å; F125-W140 HydrophobicContact CE2-CG 4.46Å; F125-W140 HydrophobicContact CE2-CZ3 4.34Å; F125-W140 HydrophobicContact CZ-CB 3.9Å; F125-W140 HydrophobicContact CZ-CD2 4.27Å; F125-W140 HydrophobicContact CZ-CE3 4.26Å; F125-W140 HydrophobicContact CZ-CG 4.15Å
126	E	89.3	Confident	91	Very high	35 Å²	35	31.6 Å²	31.6	16%	0.164	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-37.3	173.7	-69.1	178.8	-179.4	0	0	111.2	F4 T122 E129 N130	F4-E126 HydrophobicContact CB-CB 4.29Å; F4-E126 WeakPolarHBondContact CB-OE2 3.46Å; F4-E126 HydrophobicContact CD2-CB 3.15Å; F4-E126 HydrophobicContact CD2-CG 4.31Å; F4-E126 VanDerWaalsContact CE2-C 3.43Å; F4-E126 HydrophobicContact CE2-CB 3.72Å; F4-E126 HydrophobicContact CG-CB 3.85Å; F4-E126 PolarHBondContact N-OE2 2.59Å; T122-E126 WeakPolarHBondContact O-CB 3.47Å; T122-E126 WeakPolarHBondContact O-CG 3.49Å; T122-E126 PolarHBondContact O-N 3.4Å; E126-E129 PolarHBondContact O-N 2.94Å; E126-N130 WeakPolarHBondContact O-CB 3.38Å; E126-N130 PolarHBondContact O-N 3.25Å
127	G	85.6	Confident	90.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-71.1	-36.8	177.8	0	0	0	0	0	114.7	V123 I124 F125 K131	V123-G127 PolarHBondContact O-N 2.64Å; I124-G127 PolarHBondContact O-N 3.46Å; F125-G127 PolarHBondContact O-N 2.83Å; G127-K131 WeakPolarHBondContact O-CB 3.21Å; G127-K131 PolarHBondContact O-N 3.23Å
128	L	87.4	Confident	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-42.9	172.2	-71.7	170.4	0	0	0	111.6	V43 I81 Y98 I124 F125 Y132 I134 L136	V43-L128 HydrophobicContact CG2-CD1 3.65Å; I81-L128 HydrophobicContact CG2-CD2 3.53Å; I81-L128 HydrophobicContact CG2-CG 4.48Å; Y98-L128 HydrophobicContact CD1-CD2 3.44Å; Y98-L128 VanDerWaalsContact CD1-CD2 3.44Å; Y98-L128 HydrophobicContact CD2-CD1 4.29Å; Y98-L128 HydrophobicContact CD2-CD2 4.16Å; Y98-L128 HydrophobicContact CE1-CD2 3.91Å; Y98-L128 HydrophobicContact CG-CD1 4.35Å; Y98-L128 HydrophobicContact CG-CD2 3.57Å; I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.4Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 3.47Å; F125-L128 PolarHBondContact O-N 2.73Å; L128-Y132 HydrophobicContact CD2-CD2 4.07Å; L128-Y132 HydrophobicContact CD2-CE2 4Å; L128-Y132 WeakPolarHBondContact O-CB 3.15Å; L128-Y132 PolarHBondContact O-N 2.81Å; L128-I134 HydrophobicContact CB-CD1 4.33Å; L128-L136 HydrophobicContact CB-CD1 3.84Å; L128-L136 HydrophobicContact CD1-CD1 3.99Å
129	E	89.2	Confident	90.8	Very high	40 Å²	40	38.4 Å²	38.4	19%	0.187	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-46.5	177.4	-68.6	176.8	156.9	0	0	111.6	F125 E126 G133 I134 L136 R138	F125-E129 WeakPolarHBondContact O-CB 3.13Å; F125-E129 WeakPolarHBondContact O-CG 3.36Å; F125-E129 PolarHBondContact O-N 3.2Å; E126-E129 PolarHBondContact O-N 2.94Å; E129-G133 VanDerWaalsContact O-CA 3.23Å; E129-G133 WeakPolarHBondContact O-CA 3.12Å; E129-G133 PolarHBondContact O-N 3.22Å; E129-I134 WeakPolarHBondContact CA-O 3.43Å; E129-I134 VanDerWaalsContact CB-O 3.32Å; E129-I134 WeakPolarHBondContact CB-O 3.29Å; E129-I134 HydrophobicContact CG-CG1 4.36Å; E129-I134 VanDerWaalsContact CG-O 3.24Å; E129-I134 WeakPolarHBondContact CG-O 3.48Å; E129-L136 HydrophobicContact CG-CB 4.31Å; E129-L136 HydrophobicContact CG-CD1 4.27Å; E129-L136 HydrophobicContact CG-CG 4.12Å; E129-L136 PolarHBondContact OE1-N 3.44Å; E129-R138 IonicContact OE1-CZ 3.17Å; E129-R138 IonicContact OE1-NH1 2.59Å; E129-R138 PolarHBondContact OE1-NH1 3.27Å; E129-R138 IonicContact OE1-NH2 3.53Å; E129-R138 PolarHBondContact OE1-NH2 2.86Å; E129-R138 IonicContact OE2-CZ 2.96Å; E129-R138 IonicContact OE2-NH1 2.71Å; E129-R138 PolarHBondContact OE2-NH1 3.43Å; E129-R138 IonicContact OE2-NH2 3.27Å; E129-R138 PolarHBondContact OE2-NH2 3.28Å
130	N	83.1	Confident	90.8	Very high	97 Å²	97	41.3 Å²	41.3	52%	0.519	22%	0.216	S	C	.	.	H	α-helix	trans	-63.8	-46.1	177.8	-175.3	61.2	0	0	0	111.7	F4 E10 E126	F4-N130 HydrophobicContact CD1-CB 4.34Å; F4-N130 HydrophobicContact CE1-CB 3.86Å; F4-N130 HydrophobicContact CZ-CB 4.46Å; E10-N130 PolarHBondContact OE1-ND2 3.45Å; E126-N130 WeakPolarHBondContact O-CB 3.38Å; E126-N130 PolarHBondContact O-N 3.25Å
131	K	80.2	Confident	90.8	Very high	62 Å²	62	45.5 Å²	45.5	27%	0.27	24%	0.242	S	C	.	.	H	α-helix	trans	-70.4	-37.3	-176	-171.9	174.3	-178.1	-168.8	0	113.2	I81 G127	I81-K131 HydrophobicContact CB-CD 4.22Å; I81-K131 HydrophobicContact CG2-CD 4.02Å; I81-K131 PolarHBondContact O-NZ 3.47Å; G127-K131 WeakPolarHBondContact O-CB 3.21Å; G127-K131 PolarHBondContact O-N 3.23Å
132	Y	83.2	Confident	90.8	Very high	65 Å²	65	47.8 Å²	47.8	26%	0.255	26%	0.255	S	S	.	.	H	α-helix	trans	-113.9	-1.1	-171.7	-61.8	-62.4	0	0	0	114.8	I81 G82 E83 P84 Y98 L128 I134	I81-Y132 HydrophobicContact CG2-CE2 3.98Å; G82-Y132 PolarHBondContact O-OH 2.64Å; E83-Y132 WeakPolarHBondContact CA-OH 3.48Å; P84-Y132 HydrophobicContact CG-CE1 4.35Å; Y98-Y132 HydrophobicContact CD1-CD2 4.17Å; Y98-Y132 AromaticContact CD1-CE2 3.84Å; Y98-Y132 HydrophobicContact CD1-CE2 3.84Å; Y98-Y132 AromaticContact CE1-CD2 3.5Å; Y98-Y132 HydrophobicContact CE1-CD2 3.5Å; Y98-Y132 AromaticContact CE1-CE2 3.59Å; Y98-Y132 HydrophobicContact CE1-CE2 3.59Å; Y98-Y132 HydrophobicContact CE1-CG 4.24Å; L128-Y132 HydrophobicContact CD2-CD2 4.07Å; L128-Y132 HydrophobicContact CD2-CE2 4Å; L128-Y132 WeakPolarHBondContact O-CB 3.15Å; L128-Y132 PolarHBondContact O-N 2.81Å; Y132-I134 PolarHBondContact O-N 3.47Å
133	G	84	Confident	90.9	Very high	72 Å²	72	48 Å²	48	74%	0.742	26%	0.255	S	S	*	.			trans	63.5	28.2	-179.9	0	0	0	0	0	113.5	E129	E129-G133 VanDerWaalsContact O-CA 3.23Å; E129-G133 WeakPolarHBondContact O-CA 3.12Å; E129-G133 PolarHBondContact O-N 3.22Å
134	I	86.7	Confident	90.7	Very high	48 Å²	48	57.7 Å²	57.7	25%	0.246	30%	0.297	C	S	.	.			trans	-96.1	171.2	177	64.2	175.8	0	0	0	110.5	Y98 L128 E129 Y132 L136	Y98-I134 HydrophobicContact CE2-CD1 4.37Å; L128-I134 HydrophobicContact CB-CD1 4.33Å; E129-I134 WeakPolarHBondContact CA-O 3.43Å; E129-I134 VanDerWaalsContact CB-O 3.32Å; E129-I134 WeakPolarHBondContact CB-O 3.29Å; E129-I134 HydrophobicContact CG-CG1 4.36Å; E129-I134 VanDerWaalsContact CG-O 3.24Å; E129-I134 WeakPolarHBondContact CG-O 3.48Å; Y132-I134 PolarHBondContact O-N 3.47Å; I134-L136 HydrophobicContact CD1-CD1 4.13Å; I134-L136 HydrophobicContact CD1-CD2 3.86Å; I134-L136 HydrophobicContact CD1-CG 3.97Å; I134-L136 HydrophobicContact CG1-CG 4.3Å
135	E	91.7	Very high	90.3	Very high	106 Å²	106	65.7 Å²	65.7	50%	0.495	34%	0.34	S	S	.	.			trans	-128	126.3	170.7	-61.7	-169.3	175.7	0	0	110.1	S35 K36	S35-E135 CarbonylContact C-O 3.53Å; S35-E135 VanDerWaalsContact CA-O 3.23Å; S35-E135 WeakPolarHBondContact CA-O 3.06Å; S35-E135 WeakPolarHBondContact CB-O 3.14Å; K36-E135 HydrophobicContact CB-CB 4.19Å; K36-E135 HydrophobicContact CD-CB 4.33Å; K36-E135 WeakPolarHBondContact CD-OE2 3.42Å; K36-E135 VanDerWaalsContact CE-OE2 3.28Å; K36-E135 WeakPolarHBondContact CE-OE2 3.22Å; K36-E135 HydrophobicContact CG-CB 3.89Å; K36-E135 PolarHBondContact N-O 3.21Å; K36-E135 IonicContact NZ-OE2 2.75Å; K36-E135 PolarHBondContact NZ-OE2 2.76Å
136	L	94.4	Very high	90.1	Very high	4 Å²	4	69 Å²	69	2%	0.021	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-113.3	138	-173.5	-65.2	174.7	0	0	0	111	L33 V41 F125 L128 E129 I134 R138	L33-L136 HydrophobicContact CD1-CB 3.94Å; L33-L136 HydrophobicContact CD1-CD1 4.14Å; L33-L136 HydrophobicContact CD1-CD2 4.01Å; L33-L136 HydrophobicContact CD1-CG 4.25Å; V41-L136 HydrophobicContact CB-CD2 4.32Å; V41-L136 HydrophobicContact CG1-CD2 4.23Å; V41-L136 HydrophobicContact CG2-CD2 4Å; F125-L136 HydrophobicContact CB-CB 4.47Å; F125-L136 HydrophobicContact CB-CD1 4.02Å; F125-L136 HydrophobicContact CD1-CD1 4.12Å; F125-L136 HydrophobicContact CG-CD1 4.3Å; L128-L136 HydrophobicContact CB-CD1 3.84Å; L128-L136 HydrophobicContact CD1-CD1 3.99Å; E129-L136 HydrophobicContact CG-CB 4.31Å; E129-L136 HydrophobicContact CG-CD1 4.27Å; E129-L136 HydrophobicContact CG-CG 4.12Å; E129-L136 PolarHBondContact OE1-N 3.44Å; I134-L136 HydrophobicContact CD1-CD1 4.13Å; I134-L136 HydrophobicContact CD1-CD2 3.86Å; I134-L136 HydrophobicContact CD1-CG 3.97Å; I134-L136 HydrophobicContact CG1-CG 4.3Å; L136-R138 PolarHBondContact O-NH1 3.25Å
137	E	96.4	Very high	90.1	Very high	49 Å²	49	74.4 Å²	74.4	23%	0.229	38%	0.377	C	S	.	.			trans	-62.4	146.6	169.3	-68.9	-176.3	171.6	0	0	110.4	K34 Q38 S139	K34-E137 HydrophobicContact CB-CG 4.3Å; K34-E137 WeakPolarHBondContact O-CB 3.37Å; K34-E137 PolarHBondContact O-N 3.14Å; Q38-E137 PolarHBondContact NE2-OE1 3.14Å; E137-S139 PolarHBondContact O-N 3.36Å
138	R	95	Very high	90.4	Very high	111 Å²	111	75.3 Å²	75.3	42%	0.419	38%	0.383	S	S	.	.	S	Bend	trans	-88.1	14.8	177.6	-61	-56.9	-170.8	-116.8	6.4	113.7	E129 L136 W140	E129-R138 IonicContact OE1-CZ 3.17Å; E129-R138 IonicContact OE1-NH1 2.59Å; E129-R138 PolarHBondContact OE1-NH1 3.27Å; E129-R138 IonicContact OE1-NH2 3.53Å; E129-R138 PolarHBondContact OE1-NH2 2.86Å; E129-R138 IonicContact OE2-CZ 2.96Å; E129-R138 IonicContact OE2-NH1 2.71Å; E129-R138 PolarHBondContact OE2-NH1 3.43Å; E129-R138 IonicContact OE2-NH2 3.27Å; E129-R138 PolarHBondContact OE2-NH2 3.28Å; L136-R138 PolarHBondContact O-NH1 3.25Å; R138-W140 WeakPolarHBondContact O-CZ3 3.38Å
139	S	94.5	Very high	90.5	Very high	73 Å²	73	75.5 Å²	75.5	51%	0.51	39%	0.385	S	S	.	.			trans	-112.9	128.9	171.7	56.6	0	0	0	0	110.2	E137	E137-S139 PolarHBondContact O-N 3.36Å
140	W	96.7	Very high	90.4	Very high	71 Å²	71	75.2 Å²	75.2	27%	0.269	39%	0.392	S	S	.	.			trans	-132.4	170.3	-179.8	68.6	96.2	0	0	0	111.9	V31 K32 L33 E117 A118 M121 F125 R138	V31-W140 HydrophobicContact CG1-CB 3.6Å; V31-W140 HydrophobicContact CG1-CG 3.92Å; K32-W140 CarbonylContact O-C 3.5Å; K32-W140 WeakPolarHBondContact O-CA 3.22Å; L33-W140 HydrophobicContact CB-CB 4.23Å; E117-W140 PolarHBondContact OE1-NE1 2.8Å; A118-W140 HydrophobicContact CB-CH2 4.19Å; A118-W140 HydrophobicContact CB-CZ2 4.37Å; M121-W140 HydrophobicContact CB-CD2 4.2Å; M121-W140 HydrophobicContact CB-CE3 4.39Å; M121-W140 HydrophobicContact CB-CH2 4.04Å; M121-W140 HydrophobicContact CB-CZ2 3.85Å; M121-W140 HydrophobicContact CB-CZ3 4.31Å; M121-W140 HydrophobicContact CG-CD2 4.1Å; M121-W140 HydrophobicContact CG-CG 4.46Å; M121-W140 HydrophobicContact CG-CH2 4.46Å; M121-W140 HydrophobicContact CG-CZ2 3.77Å; F125-W140 HydrophobicContact CE2-CB 4.32Å; F125-W140 HydrophobicContact CE2-CD2 4.17Å; F125-W140 AromaticContact CE2-CE3 3.7Å; F125-W140 HydrophobicContact CE2-CE3 3.7Å; F125-W140 HydrophobicContact CE2-CG 4.46Å; F125-W140 HydrophobicContact CE2-CZ3 4.34Å; F125-W140 HydrophobicContact CZ-CB 3.9Å; F125-W140 HydrophobicContact CZ-CD2 4.27Å; F125-W140 HydrophobicContact CZ-CE3 4.26Å; F125-W140 HydrophobicContact CZ-CG 4.15Å; R138-W140 WeakPolarHBondContact O-CZ3 3.38Å
141	T	96.7	Very high	90.5	Very high	88 Å²	88	79.1 Å²	79.1	54%	0.54	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.9	172.9	-58.2	0	0	0	0	109.4	K32	K32-T141 PolarHBondContact N-O 3.36Å; K32-T141 PolarHBondContact O-N 2.95Å
142	V	96.5	Very high	90.5	Very high	47 Å²	47	77.7 Å²	77.7	29%	0.285	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.4	169.9	-177.3	0	0	0	0	109.5	F29 V31 E117 K144	F29-V142 HydrophobicContact CB-CG1 4.35Å; F29-V142 HydrophobicContact CD2-CG1 3.81Å; F29-V142 HydrophobicContact CD2-CG2 4.44Å; F29-V142 HydrophobicContact CE2-CG1 4.49Å; F29-V142 HydrophobicContact CE2-CG2 4.37Å; F29-V142 HydrophobicContact CG-CG1 4.31Å; V31-V142 HydrophobicContact CG2-CG2 4.42Å; E117-V142 VanDerWaalsContact OE1-CG2 3.29Å; E117-V142 WeakPolarHBondContact OE1-CG2 3.42Å; V142-K144 PolarHBondContact O-N 2.85Å
143	L	94.8	Very high	90.3	Very high	40 Å²	40	78.6 Å²	78.6	21%	0.209	41%	0.408	C	S	.	.			trans	-79.7	119.5	-179.6	-57.9	-174	0	0	0	110.9	C30 K32 F42 N145 K146	C30-L143 HydrophobicContact CB-CB 4.45Å; C30-L143 HydrophobicContact CB-CD1 4.09Å; C30-L143 HydrophobicContact CB-CG 4.45Å; C30-L143 WeakPolarHBondContact O-CB 3.46Å; C30-L143 WeakPolarHBondContact O-CG 3.44Å; C30-L143 PolarHBondContact O-N 3.14Å; K32-L143 HydrophobicContact CB-CD2 3.92Å; K32-L143 HydrophobicContact CB-CG 4.35Å; K32-L143 HydrophobicContact CD-CD2 4.38Å; F42-L143 HydrophobicContact CD1-CD1 4.17Å; F42-L143 HydrophobicContact CE1-CD1 3.96Å; L143-N145 PolarHBondContact O-N 3.4Å; L143-K146 HydrophobicContact CB-CB 4.15Å; L143-K146 HydrophobicContact CD1-CB 4.04Å; L143-K146 HydrophobicContact CD1-CD 4.01Å; L143-K146 HydrophobicContact CD1-CG 4.35Å
144	K	89.2	Confident	90	Very high	203 Å²	203	81.4 Å²	81.4	88%	0.883	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.3	-176	-62.7	-176.1	178	-177.2	0	114.6	V142	V142-K144 PolarHBondContact O-N 2.85Å
145	N	86.8	Confident	89.2	Confident	168 Å²	168	80.1 Å²	80.1	90%	0.898	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	14.1	-171.9	-61.2	-33.1	0	0	0	113.3	L143	L143-N145 PolarHBondContact O-N 3.4Å
146	K	89.8	Confident	87.7	Confident	70 Å²	70	79.3 Å²	79.3	30%	0.304	40%	0.4	S	S	.	.			trans	-140.8	117.4	-179.9	-177.5	175.2	-75.1	-165.1	0	109.4	C30 L143 C148 M149	C30-K146 HydrophobicContact CB-CG 4.47Å; C30-K146 WeakPolarHBondContact CB-O 3.48Å; L143-K146 HydrophobicContact CB-CB 4.15Å; L143-K146 HydrophobicContact CD1-CB 4.04Å; L143-K146 HydrophobicContact CD1-CD 4.01Å; L143-K146 HydrophobicContact CD1-CG 4.35Å; K146-C148 WeakPolarHBondContact CD-O 3.36Å; K146-C148 WeakPolarHBondContact CG-O 3.39Å; K146-M149 HydrophobicContact CD-CE 4.06Å; K146-M149 HydrophobicContact CD-SD 4.19Å; K146-M149 PolarHBondContact NZ-SD 2.69Å; K146-M149 VanDerWaalsContact NZ-SD 3.36Å
147	K	89.9	Confident	86.2	Confident	148 Å²	148	80.2 Å²	80.2	64%	0.643	40%	0.404	S	S	*	.	S	Bend	trans	-81.4	-29.9	-180	-66.7	-167.8	177.4	-175.7	0	113.3	G28 F29 C30	G28-K147 VanDerWaalsContact O-CB 3.29Å; G28-K147 WeakPolarHBondContact O-CB 3.37Å; G28-K147 WeakPolarHBondContact O-CG 3.29Å; F29-K147 CarbonylContact C-O 3.52Å; F29-K147 WeakPolarHBondContact CA-O 3.41Å; C30-K147 PolarHBondContact N-O 2.9Å
148	C	91.2	Very high	84.5	Confident	19 Å²	19	80 Å²	80	13%	0.128	40%	0.402	C	S	.	.			trans	-151.7	142.1	-177.3	-177.3	0	0	0	0	109.4	N44 K146 P152	N44-C148 PolarHBondContact ND2-SG 3.19Å; N44-C148 WeakPolarHBondContact OD1-CA 3.29Å; K146-C148 WeakPolarHBondContact CD-O 3.36Å; K146-C148 WeakPolarHBondContact CG-O 3.39Å; C148-P152 VanDerWaalsContact SG-CD 3.57Å
149	M	90.4	Very high	82.6	Confident	5 Å²	5	78 Å²	78	3%	0.025	40%	0.401	C	S	.	.	S	Bend	trans	-89.2	118.2	164.6	-171.9	62.8	79.7	0	0	108.2	F42 N44 H85 E87 A97 K146	F42-M149 HydrophobicContact CB-CB 3.91Å; F42-M149 HydrophobicContact CB-CG 4.2Å; F42-M149 HydrophobicContact CD1-CB 4.49Å; F42-M149 HydrophobicContact CD1-CE 3.45Å; F42-M149 VanDerWaalsContact CD1-CE 3.45Å; F42-M149 HydrophobicContact CD2-CE 3.69Å; F42-M149 HydrophobicContact CD2-CG 4.27Å; F42-M149 HydrophobicContact CE1-CE 3.29Å; F42-M149 HydrophobicContact CE2-CE 3.56Å; F42-M149 HydrophobicContact CG-CB 4.16Å; F42-M149 HydrophobicContact CG-CE 3.64Å; F42-M149 HydrophobicContact CG-CG 4.11Å; F42-M149 HydrophobicContact CZ-CE 3.34Å; N44-M149 PolarHBondContact ND2-O 3.35Å; N44-M149 PolarHBondContact OD1-N 2.9Å; H85-M149 PolarHBondContact CE1-O 3.3Å; E87-M149 HydrophobicContact CB-CG 3.83Å; E87-M149 HydrophobicContact CB-SD 4.49Å; E87-M149 HydrophobicContact CG-CG 3.96Å; A97-M149 HydrophobicContact CB-CB 4.16Å; A97-M149 HydrophobicContact CB-CG 4.14Å; K146-M149 HydrophobicContact CD-CE 4.06Å; K146-M149 HydrophobicContact CD-SD 4.19Å; K146-M149 PolarHBondContact NZ-SD 2.69Å; K146-M149 VanDerWaalsContact NZ-SD 3.36Å
150	G	88.1	Confident	80.7	Confident	33 Å²	33	75.9 Å²	75.9	34%	0.34	39%	0.387	S	S	.	.	S	Bend	trans	74.7	-150.8	-168.8	0	0	0	0	0	111.9	E87	E87-G150 WeakPolarHBondContact OE1-CA 3.24Å
151	K	83.8	Confident	79	Confident	180 Å²	180	73.6 Å²	73.6	78%	0.783	38%	0.382	S	S	*	.			trans	-114.2	139.4	170.1	-66.7	-179	-179.2	179	0	108	Q153	K151-Q153 PolarHBondContact O-N 3.47Å
152	P	81.2	Confident	77.7	Confident	32 Å²	32	72.7 Å²	72.7	21%	0.208	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-56.3	130.5	174.1	-20.4	30.9	0	0	0	110.9	P25 S27 D99 C148	P25-P152 HydrophobicContact CG-CB 3.75Å; S27-P152 WeakPolarHBondContact OG-CG 3.15Å; D99-P152 WeakPolarHBondContact OD2-CA 3.02Å; C148-P152 VanDerWaalsContact SG-CD 3.57Å
153	Q	78.3	Confident	76.1	Confident	83 Å²	83	71 Å²	71	39%	0.388	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-82.3	146.2	177.5	-61.2	-171.3	-42.4	0	0	110.7	D99 K151	D99-Q153 PolarHBondContact OD2-N 2.98Å; K151-Q153 PolarHBondContact O-N 3.47Å
154	E	77.1	Confident	74.9	Confident	132 Å²	132	69.3 Å²	69.3	62%	0.617	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-65	137.7	172.6	-54.6	-174.9	174.4	0	0	109.8	I22 I23 V24	I22-E154 HydrophobicContact CG2-CB 4.07Å; I23-E154 WeakPolarHBondContact O-CA 3.29Å; V24-E154 HydrophobicContact CG2-CG 4.07Å
155	Q	70.7	Confident	74.2	Confident	21 Å²	21	60 Å²	60	10%	0.098	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.9	178.3	-62.8	-172.4	25.7	0	0	110.7	I23 C80 G82 D99 I101 I157	I23-Q155 PolarHBondContact N-O 3.2Å; I23-Q155 PolarHBondContact O-N 3.26Å; C80-Q155 VanDerWaalsContact CB-OE1 3.25Å; C80-Q155 PolarHBondContact O-OE1 2.53Å; G82-Q155 VanDerWaalsContact CA-NE2 3.26Å; D99-Q155 PolarHBondContact O-NE2 3.34Å; I101-Q155 HydrophobicContact CD1-CB 4.05Å; I101-Q155 HydrophobicContact CD1-CG 3.83Å; Q155-I157 HydrophobicContact CB-CD1 4.28Å
156	C	59.6	Low	73.7	Confident	89 Å²	89	53.1 Å²	53.1	60%	0.601	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.7	175.9	-166.9	0	0	0	0	109.1	S20	S20-C156 WeakPolarHBondContact CB-SG 3.39Å
157	I	63.2	Low	72.9	Confident	22 Å²	22	51 Å²	51	11%	0.113	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.6	-176	-73	146.7	0	0	0	110.1	S20 I21 I23 C80 Q155	S20-I157 CarbonylContact C-O 3.44Å; S20-I157 VanDerWaalsContact CA-O 3.32Å; S20-I157 WeakPolarHBondContact CA-O 3.43Å; I21-I157 HydrophobicContact CG1-CB 4.17Å; I21-I157 HydrophobicContact CG1-CG2 4.44Å; I21-I157 WeakPolarHBondContact CG1-O 3.48Å; I21-I157 PolarHBondContact N-O 2.94Å; I21-I157 PolarHBondContact O-N 3.39Å; I23-I157 HydrophobicContact CB-CD1 4.13Å; I23-I157 HydrophobicContact CD1-CB 4.46Å; I23-I157 HydrophobicContact CD1-CD1 3.09Å; I23-I157 HydrophobicContact CD1-CG1 4.35Å; I23-I157 HydrophobicContact CG1-CD1 3.57Å; C80-I157 HydrophobicContact CB-CD1 3.72Å; C80-I157 HydrophobicContact CB-CG1 4.34Å; C80-I157 WeakPolarHBondContact SG-CD1 3.28Å; Q155-I157 HydrophobicContact CB-CD1 4.28Å
158	R	61	Low	72	Confident	46 Å²	46	47.6 Å²	47.6	17%	0.174	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	147.3	176.7	-66.9	-176.5	179.8	-171.4	-17.9	110.6	V11 H12 Q14	V11-R158 HydrophobicContact CG1-CB 3.9Å; V11-R158 HydrophobicContact CG1-CG 3.6Å; H12-R158 PolarHBondContact O-NH1 3.08Å; H12-R158 PolarHBondContact O-NH2 2.77Å; Q14-R158 PolarHBondContact O-NH2 2.95Å
159	T	55.4	Low	70.4	Confident	67 Å²	67	52.8 Å²	52.8	41%	0.411	28%	0.278	S	S	.	.	S	Bend	trans	-91.2	-6.5	176.7	59.4	0	0	0	0	114.4	S19 I21	S19-T159 WeakPolarHBondContact O-CG2 3.25Å; S19-T159 PolarHBondContact O-N 2.94Å; S19-T159 PolarHBondContact O-OG1 3.46Å; S19-T159 VanDerWaalsContact O-OG1 3.04Å; S19-T159 PolarHBondContact OG-OG1 2.8Å; I21-T159 HydrophobicContact CG1-CG2 4.37Å; I21-T159 HydrophobicContact CG2-CG2 3.71Å
160	S	53.4	Low	68.6	Low	29 Å²	29	53 Å²	53	20%	0.203	28%	0.282	C	S	.	.	S	Bend	trans	-85.1	139.7	175.4	51.1	0	0	0	0	111.4	Q227	S160-Q227 PolarHBondContact OG-OE1 3.48Å
161	S	61.2	Low	66.5	Low	23 Å²	23	57 Å²	57	16%	0.161	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-73.5	144.8	177.2	76	0	0	0	0	112.5	Q227 V228 E254	S161-Q227 WeakPolarHBondContact O-CA 3.23Å; S161-V228 PolarHBondContact N-O 3.49Å; S161-V228 PolarHBondContact O-N 2.89Å; S161-V228 WeakPolarHBondContact OG-CB 3.42Å; S161-V228 PolarHBondContact OG-O 2.88Å; S161-E254 WeakPolarHBondContact OG-CB 3.18Å
162	R	69.6	Low	64.6	Low	69 Å²	69	56.6 Å²	56.6	26%	0.26	31%	0.305	S	S	.	.			trans	-128.5	93.1	-179.6	-162.1	-169.2	-165.4	-146.3	-6.3	110	E10 A164 D225 L226	E10-R162 VanDerWaalsContact O-CD 3.23Å; E10-R162 WeakPolarHBondContact O-CD 3.48Å; E10-R162 PolarHBondContact O-NH1 2.78Å; R162-A164 PolarHBondContact O-N 2.78Å; R162-D225 IonicContact CZ-OD1 2.53Å; R162-D225 IonicContact NE-OD1 3.81Å; R162-D225 PolarHBondContact NE-OD1 2.6Å; R162-D225 IonicContact NH2-OD1 3.39Å; R162-D225 PolarHBondContact NH2-OD1 2.87Å; R162-L226 WeakPolarHBondContact CA-O 3.29Å; R162-L226 WeakPolarHBondContact CG-O 3.49Å
163	P	63.6	Low	63.1	Low	13 Å²	13	58.7 Å²	58.7	8%	0.084	32%	0.318	C	S	.	.			trans	-62.1	132.8	-179.6	-19.3	28.9	0	0	0	111.9	I165 L226 V228 T257 A259	P163-I165 PolarHBondContact O-N 2.97Å; P163-L226 HydrophobicContact CB-CD2 4.21Å; P163-L226 WeakPolarHBondContact CD-O 3.48Å; P163-L226 HydrophobicContact CG-CD2 4.26Å; P163-V228 HydrophobicContact CG-CB 4.27Å; P163-V228 HydrophobicContact CG-CG2 3.37Å; P163-T257 HydrophobicContact CB-CG2 4.18Å; P163-T257 HydrophobicContact CG-CG2 3.65Å; P163-A259 HydrophobicContact CB-CB 4.12Å
164	A	69.6	Low	61.3	Low	3 Å²	3	60.2 Å²	60.2	3%	0.025	34%	0.336	C	S	.	.			trans	-51.3	124.9	162.3	0	0	0	0	0	111.7	K8 R162 I166 A259	K8-A164 HydrophobicContact CB-CB 3.32Å; K8-A164 VanDerWaalsContact CD-CA 3.48Å; K8-A164 HydrophobicContact CD-CB 3.6Å; K8-A164 HydrophobicContact CG-CB 3.58Å; R162-A164 PolarHBondContact O-N 2.78Å; A164-I166 PolarHBondContact O-N 2.78Å; A164-A259 WeakPolarHBondContact O-CB 3.42Å; A164-A259 PolarHBondContact O-N 2.79Å
165	I	75.1	Confident	59.3	Low	8 Å²	8	63.6 Å²	63.6	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	96.5	168.3	-56	173	0	0	0	110.5	K8 P163 S221 L224 L226 A259 F261 L268	K8-I165 VanDerWaalsContact CD-N 3.32Å; K8-I165 WeakPolarHBondContact CE-O 3.06Å; K8-I165 PolarHBondContact NZ-O 2.96Å; P163-I165 PolarHBondContact O-N 2.97Å; I165-S221 VanDerWaalsContact CG2-CB 3.47Å; I165-L224 HydrophobicContact CD1-CB 3.51Å; I165-L224 HydrophobicContact CD1-CD1 3.94Å; I165-L224 HydrophobicContact CD1-CG 4.4Å; I165-L226 HydrophobicContact CD1-CB 4.14Å; I165-L226 HydrophobicContact CG1-CB 4.39Å; I165-L226 HydrophobicContact CG1-CD2 4.28Å; I165-A259 CarbonylContact C-O 3.52Å; I165-A259 WeakPolarHBondContact CA-O 3.4Å; I165-A259 HydrophobicContact CG1-CB 4.15Å; I165-F261 HydrophobicContact CG2-CB 3.44Å; I165-F261 VanDerWaalsContact CG2-CB 3.44Å; I165-L268 HydrophobicContact CB-CD1 4.42Å; I165-L268 HydrophobicContact CD1-CD1 4.33Å; I165-L268 HydrophobicContact CG1-CD1 4.1Å; I165-L268 HydrophobicContact CG2-CD1 3.58Å
166	I	76.6	Confident	57.8	Low	23 Å²	23	66.6 Å²	66.6	12%	0.118	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.6	177.7	-59.4	158	0	0	0	109.2	P74 A164 A259 E260 F261	P74-I166 HydrophobicContact CG-CD1 3.74Å; A164-I166 PolarHBondContact O-N 2.78Å; I166-A259 PolarHBondContact N-O 3.02Å; I166-E260 HydrophobicContact CB-CG 4.34Å; I166-E260 HydrophobicContact CD1-CG 4.45Å; I166-E260 CarbonylContact O-C 3.59Å; I166-E260 VanDerWaalsContact O-CA 3.25Å; I166-E260 WeakPolarHBondContact O-CA 3.47Å; I166-F261 PolarHBondContact O-N 3.41Å
167	E	72.4	Confident	56.7	Low	26 Å²	26	71.5 Å²	71.5	12%	0.121	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.2	177.7	-66.2	-169.3	133.3	0	0	112	S220 S221 F261 R263	E167-S220 WeakPolarHBondContact OE1-CA 3.13Å; E167-S220 VanDerWaalsContact OE1-CB 3.29Å; E167-S220 WeakPolarHBondContact OE1-CB 3.18Å; E167-S221 VanDerWaalsContact CD-OG 3.28Å; E167-S221 WeakPolarHBondContact CG-OG 3.34Å; E167-S221 PolarHBondContact OE1-N 3.05Å; E167-S221 PolarHBondContact OE1-OG 3.42Å; E167-F261 WeakPolarHBondContact CA-O 3.23Å; E167-R263 VanDerWaalsContact CD-NH2 3.33Å; E167-R263 IonicContact OE1-CZ 3.29Å; E167-R263 IonicContact OE1-NE 3.62Å; E167-R263 PolarHBondContact OE1-NE 2.83Å; E167-R263 VanDerWaalsContact OE1-NE 3.08Å; E167-R263 IonicContact OE1-NH2 3.83Å; E167-R263 PolarHBondContact OE1-NH2 2.83Å; E167-R263 IonicContact OE2-CZ 2.67Å; E167-R263 IonicContact OE2-NE 2.85Å; E167-R263 PolarHBondContact OE2-NE 2.86Å; E167-R263 IonicContact OE2-NH1 2.64Å; E167-R263 IonicContact OE2-NH2 3.7Å; E167-R263 PolarHBondContact OE2-NH2 2.8Å
168	M	70.6	Confident	55.5	Low	77 Å²	77	76.4 Å²	76.4	38%	0.379	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.5	174.8	-69.5	-173	156.4	0	0	110.9	G170 E260 F261 N262	M168-G170 PolarHBondContact O-N 2.8Å; M168-E260 VanDerWaalsContact CE-CD 3.46Å; M168-E260 HydrophobicContact CE-CG 4.42Å; M168-E260 VanDerWaalsContact CE-OE1 3.28Å; M168-E260 WeakPolarHBondContact CE-OE1 3.35Å; M168-F261 PolarHBondContact N-O 3.41Å; M168-N262 HydrophobicContact CB-CB 4.45Å
169	N	57.9	Low	54.4	Low	128 Å²	128	81 Å²	81	68%	0.684	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-53	120.2	-175.6	-81	-30.7	0	0	0	113.1	N264	N169-N264 PolarHBondContact O-ND2 3.26Å
170	G	51.8	Low	53.4	Low	10 Å²	10	86.3 Å²	86.3	10%	0.103	46%	0.458	C	S	.	.			trans	-126.5	143.8	145.5	0	0	0	0	0	106.6	M168 Q172 N264	M168-G170 PolarHBondContact O-N 2.8Å; G170-Q172 PolarHBondContact O-N 3.25Å; G170-N264 VanDerWaalsContact CA-ND2 3.25Å; G170-N264 WeakPolarHBondContact CA-ND2 3.42Å; G170-N264 WeakPolarHBondContact CA-OD1 3.45Å
171	S	45.3	Very low	52.8	Low	115 Å²	115	91.4 Å²	91.4	80%	0.804	48%	0.482	S	S	*	.			trans	-28.9	121.8	177.9	-32.9	0	0	0	0	111.8	P173	S171-P173 WeakPolarHBondContact O-CD 3.19Å
172	Q	44.2	Very low	51.7	Low	173 Å²	173	95.6 Å²	95.6	81%	0.808	51%	0.509	S	S	*	.			trans	-49.4	114.7	178.4	-77.8	-166.9	-27.7	0	0	109.3	G170	G170-Q172 PolarHBondContact O-N 3.25Å
173	P	48.4	Very low	50.3	Low	75 Å²	75	99.5 Å²	99.5	49%	0.487	54%	0.535	S	S	.	.			trans	-68.2	142.8	168.7	-6.4	21.3	0	0	0	107.7	S171 K175	S171-P173 WeakPolarHBondContact O-CD 3.19Å; P173-K175 PolarHBondContact O-N 2.9Å
174	P	40.2	Very low	49.4	Very low	116 Å²	116	102.5 Å²	102.5	75%	0.753	55%	0.554	S	S	*	*			trans	-55.7	140.2	171.4	22.2	-30.6	0	0	0	109.8
175	K	36	Very low	48.3	Very low	202 Å²	202	108.3 Å²	108.3	88%	0.878	59%	0.592	S	S	*	*			trans	-42.3	123.1	175.9	-80	178.5	175.5	179	0	109.6	P173 K177	P173-K175 PolarHBondContact O-N 2.9Å; K175-K177 PolarHBondContact O-N 3.29Å
176	P	39.3	Very low	47.4	Very low	84 Å²	84	114.1 Å²	114.1	55%	0.545	62%	0.617	S	S	.	*			trans	-59.4	129	178.8	-12.1	21.5	0	0	0	109.1	V178 I219	P176-V178 PolarHBondContact O-N 3.43Å; P176-I219 HydrophobicContact CG-CD1 3.19Å
177	K	35.3	Very low	46.9	Very low	192 Å²	192	122.1 Å²	122.1	84%	0.835	65%	0.651	S	S	*	*			trans	-62.9	123.1	159.6	-75.4	-179.4	175.7	-178.8	0	106.3	K175 I179	K175-K177 PolarHBondContact O-N 3.29Å; K177-I179 PolarHBondContact O-N 2.98Å
178	V	37.9	Very low	47.1	Very low	126 Å²	126	123.3 Å²	123.3	76%	0.764	66%	0.662	S	S	*	*			trans	-54.1	107	173.3	-177.2	0	0	0	0	107.4	P176 E180	P176-V178 PolarHBondContact O-N 3.43Å; V178-E180 HydrophobicContact CG1-CG 3.99Å
179	I	39.7	Very low	47.8	Very low	141 Å²	141	123.2 Å²	123.2	72%	0.723	66%	0.663	S	S	*	*			trans	-96.2	100.5	165.8	-58.7	177.2	0	0	0	104	K177 L181	K177-I179 PolarHBondContact O-N 2.98Å; I179-L181 HydrophobicContact CG2-CG 4.44Å; I179-L181 PolarHBondContact O-N 3.49Å
180	E	33.5	Very low	49.4	Very low	179 Å²	179	122 Å²	122	84%	0.836	66%	0.66	S	S	*	*			trans	-62.9	97.8	172.4	-65	177.6	173.8	0	0	107.9	V178	V178-E180 HydrophobicContact CG1-CG 3.99Å
181	L	40.5	Very low	51.3	Low	136 Å²	136	121.7 Å²	121.7	71%	0.712	66%	0.657	S	S	*	*			trans	-87.1	137.2	166.9	-82.4	161	0	0	0	108.2	I179	I179-L181 HydrophobicContact CG2-CG 4.44Å; I179-L181 PolarHBondContact O-N 3.49Å
182	P	38.5	Very low	53.5	Low	111 Å²	111	124.2 Å²	124.2	72%	0.721	65%	0.654	S	S	*	*			trans	-65.7	138.3	-174.3	-14.3	27.5	0	0	0	111.7	P184	P182-P184 WeakPolarHBondContact O-CD 3.16Å
183	D	40.3	Very low	55.8	Low	151 Å²	151	121.4 Å²	121.4	81%	0.807	64%	0.636	S	S	*	*			trans	-65.1	113.9	-175.8	-58.2	-54.8	0	0	0	113.9
184	P	45.2	Very low	57.9	Low	76 Å²	76	121.9 Å²	121.9	49%	0.494	63%	0.632	S	S	.	*			trans	-90.3	163.5	148.4	6.4	17.8	0	0	0	108.4	P182 F186	P182-P184 WeakPolarHBondContact O-CD 3.16Å; P184-F186 WeakPolarHBondContact O-CD2 3.01Å; P184-F186 PolarHBondContact O-N 2.83Å
185	P	45.7	Very low	60.3	Low	126 Å²	126	119.4 Å²	119.4	82%	0.818	61%	0.612	S	S	*	*			trans	-64.5	96.9	174	26.5	-31.6	0	0	0	108.8	K187	P185-K187 PolarHBondContact O-N 3.06Å
186	F	56	Low	62.9	Low	129 Å²	129	113.4 Å²	113.4	57%	0.566	59%	0.588	S	S	*	*			trans	-63.6	105.1	-174.9	-85.3	-89.8	0	0	0	109.4	P184	P184-F186 WeakPolarHBondContact O-CD2 3.01Å; P184-F186 PolarHBondContact O-N 2.83Å
187	K	66.1	Low	65.2	Low	191 Å²	191	114.4 Å²	114.4	83%	0.83	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-74.7	124.5	159.8	-71.4	-173.9	177.4	-176.4	0	107	P185	P185-K187 PolarHBondContact O-N 3.06Å
188	S	76.2	Confident	67.7	Low	51 Å²	51	108.3 Å²	108.3	36%	0.357	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-61.8	134.6	172.4	57.2	0	0	0	0	110.6	Q240 S243	S188-Q240 WeakPolarHBondContact CA-O 3.45Å; S188-Q240 WeakPolarHBondContact CB-O 3.47Å; S188-S243 WeakPolarHBondContact OG-CB 3.26Å
189	D	86.6	Confident	70.1	Confident	75 Å²	75	108.3 Å²	108.3	40%	0.401	55%	0.553	S	S	.	*	B	Isolated β-bridge	trans	-80	145.9	173.1	-78.7	-8.5	0	0	0	110.1	P191 K217 I241 Y242 S243	D189-P191 WeakPolarHBondContact O-CD 3.46Å; D189-K217 WeakPolarHBondContact OD2-CE 3.32Å; D189-K217 IonicContact OD2-NZ 2.94Å; D189-K217 PolarHBondContact OD2-NZ 2.79Å; D189-I241 PolarHBondContact N-O 2.71Å; D189-I241 VanDerWaalsContact N-O 3.1Å; D189-Y242 HydrophobicContact CB-CD1 4.09Å; D189-Y242 HydrophobicContact CB-CE1 4.15Å; D189-Y242 VanDerWaalsContact O-CA 3.28Å; D189-Y242 WeakPolarHBondContact O-CA 3.21Å; D189-S243 PolarHBondContact O-N 3.37Å
190	T	91	Very high	71.9	Confident	102 Å²	102	104.1 Å²	104.1	63%	0.626	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-83.9	116.5	165.2	-53.2	0	0	0	0	108.9	S243 L244	T190-S243 WeakPolarHBondContact CA-O 3.46Å; T190-L244 HydrophobicContact CG2-CD1 3.81Å
191	P	90.9	Very high	74.1	Confident	5 Å²	5	103.6 Å²	103.6	3%	0.032	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-64.8	150.1	178.9	28.2	-34.4	0	0	0	110.8	D189 I213 I214 M215 L235 Y242 L244	D189-P191 WeakPolarHBondContact O-CD 3.46Å; P191-I213 HydrophobicContact CB-CG2 3.7Å; P191-I213 HydrophobicContact CG-CG2 3.65Å; P191-I214 WeakPolarHBondContact CB-O 3.46Å; P191-M215 HydrophobicContact CB-CG 4.21Å; P191-L235 HydrophobicContact CG-CD2 4.4Å; P191-Y242 HydrophobicContact CB-CD1 3.82Å; P191-Y242 HydrophobicContact CB-CE1 4.06Å; P191-Y242 HydrophobicContact CB-CG 4.34Å; P191-Y242 HydrophobicContact CG-CD1 4.19Å; P191-Y242 HydrophobicContact CG-CG 4.46Å; P191-L244 HydrophobicContact CG-CB 4.01Å; P191-L244 HydrophobicContact CG-CD2 4.29Å
192	K	91.1	Very high	76	Confident	168 Å²	168	103.9 Å²	103.9	73%	0.73	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	139.8	172.4	-66.4	-175.6	-179.1	-179.1	0	109.3	I214	K192-I214 HydrophobicContact CB-CD1 4.46Å; K192-I214 PolarHBondContact O-N 3.35Å
193	Y	94.2	Very high	78.1	Confident	113 Å²	113	101.8 Å²	101.8	44%	0.443	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.5	179.2	65	-93.7	0	0	0	112.1	I195 R212 L244 L246	Y193-I195 HydrophobicContact CD2-CG1 4.41Å; Y193-R212 CarbonylContact C-O 3.53Å; Y193-R212 WeakPolarHBondContact CA-O 3.48Å; Y193-L244 HydrophobicContact CD1-CD1 3.7Å; Y193-L244 HydrophobicContact CD1-CD2 4.13Å; Y193-L244 HydrophobicContact CE1-CD1 3.6Å; Y193-L246 HydrophobicContact CD1-CD1 4.33Å; Y193-L246 HydrophobicContact CD2-CD1 3.64Å; Y193-L246 HydrophobicContact CE1-CD1 3.85Å; Y193-L246 HydrophobicContact CE2-CD1 3.08Å; Y193-L246 HydrophobicContact CE2-CG 4.46Å; Y193-L246 HydrophobicContact CG-CD1 4.24Å; Y193-L246 WeakPolarHBondContact OH-CD1 3.14Å
194	E	90.9	Very high	80.1	Confident	85 Å²	85	96.4 Å²	96.4	40%	0.397	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144	167	60.3	-176.8	172.1	0	0	109.6	A211 R212	E194-A211 CarbonylContact O-C 3.47Å; E194-A211 WeakPolarHBondContact O-CA 3.49Å; E194-R212 HydrophobicContact CG-CB 3.79Å; E194-R212 PolarHBondContact N-O 3.03Å; E194-R212 PolarHBondContact O-N 3.4Å; E194-R212 WeakPolarHBondContact OE1-CD 3.07Å; E194-R212 IonicContact OE1-CZ 3.15Å; E194-R212 IonicContact OE1-NE 2.79Å; E194-R212 IonicContact OE1-NH1 3.08Å; E194-R212 PolarHBondContact OE1-NH1 3.29Å
195	I	91.5	Very high	82	Confident	64 Å²	64	99.4 Å²	99.4	33%	0.328	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.2	172.9	-55.7	178.2	0	0	0	108.5	Y193 L209 V210 L246 L248	Y193-I195 HydrophobicContact CD2-CG1 4.41Å; I195-L209 HydrophobicContact CG2-CB 4.38Å; I195-L209 HydrophobicContact CG2-CD2 4.32Å; I195-V210 WeakPolarHBondContact CA-O 3.28Å; I195-L246 HydrophobicContact CD1-CD1 4.07Å; I195-L246 HydrophobicContact CD1-CD2 3.69Å; I195-L246 HydrophobicContact CD1-CG 4.02Å; I195-L246 HydrophobicContact CG1-CD2 4.01Å; I195-L248 HydrophobicContact CD1-CD2 4.37Å
196	I	89.7	Confident	83.9	Confident	76 Å²	76	95.1 Å²	95.1	39%	0.39	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.5	175.7	-57.1	168.6	0	0	0	108.1	V198 L209 V210	I196-V198 HydrophobicContact CG2-CG2 4.43Å; I196-L209 WeakPolarHBondContact O-CA 3.28Å; I196-V210 HydrophobicContact CB-CB 4.4Å; I196-V210 PolarHBondContact N-O 3.34Å; I196-V210 PolarHBondContact O-N 3.32Å
197	K	89.5	Confident	85.3	Confident	106 Å²	106	96.9 Å²	96.9	46%	0.461	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.1	172.7	-62.9	-167.1	172.6	-167.4	0	108.9	V206 L209	K197-V206 HydrophobicContact CB-CG1 4Å; K197-V206 HydrophobicContact CB-CG2 4.21Å; K197-V206 HydrophobicContact CD-CG2 4.11Å; K197-V206 HydrophobicContact CG-CG1 4.42Å; K197-L209 HydrophobicContact CB-CD2 4.4Å; K197-L209 HydrophobicContact CD-CD2 4.37Å; K197-L209 HydrophobicContact CG-CD2 3.69Å
198	V	87	Confident	86.3	Confident	63 Å²	63	88.8 Å²	88.8	38%	0.382	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.7	176.2	-175.6	0	0	0	0	108	I196 R207 C208 V210	I196-V198 HydrophobicContact CG2-CG2 4.43Å; V198-R207 PolarHBondContact O-N 2.73Å; V198-C208 HydrophobicContact CB-CB 4.28Å; V198-C208 PolarHBondContact N-O 2.82Å; V198-C208 PolarHBondContact O-N 2.9Å; V198-V210 HydrophobicContact CG2-CG2 3.83Å
199	K	87.7	Confident	87	Confident	126 Å²	126	86.4 Å²	86.4	55%	0.548	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	153.3	-179.9	-69.1	177.5	169.7	-164.4	0	111.2	G204 E205 V206	K199-G204 WeakPolarHBondContact CD-O 3.45Å; K199-E205 CarbonylContact C-O 3.5Å; K199-E205 WeakPolarHBondContact CA-O 3.34Å; K199-V206 HydrophobicContact CG-CG2 4.16Å
200	D	78.2	Confident	87.2	Confident	54 Å²	54	84 Å²	84	29%	0.289	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-74.1	132.4	165.1	-172.4	-87.7	0	0	0	109.7	V202 S203 G204 E205	D200-V202 PolarHBondContact O-N 2.73Å; D200-V202 WeakPolarHBondContact OD1-CA 3.49Å; D200-V202 VanDerWaalsContact OD1-CB 3.29Å; D200-V202 WeakPolarHBondContact OD1-CB 3.34Å; D200-V202 PolarHBondContact OD1-N 2.79Å; D200-S203 WeakPolarHBondContact CB-OG 3.26Å; D200-S203 PolarHBondContact OD1-N 2.72Å; D200-G204 WeakPolarHBondContact O-CA 3.31Å; D200-G204 PolarHBondContact O-N 2.77Å; D200-E205 PolarHBondContact N-O 2.95Å
201	D	79.4	Confident	87.2	Confident	167 Å²	167	79.1 Å²	79.1	89%	0.893	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.3	-177.2	-68.7	-32.6	0	0	0	112.6
202	V	81.4	Confident	87.2	Confident	142 Å²	142	83.1 Å²	83.1	86%	0.861	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-50.6	-176.1	-173.1	0	0	0	0	110.5	D200	D200-V202 PolarHBondContact O-N 2.73Å; D200-V202 WeakPolarHBondContact OD1-CA 3.49Å; D200-V202 VanDerWaalsContact OD1-CB 3.29Å; D200-V202 WeakPolarHBondContact OD1-CB 3.34Å; D200-V202 PolarHBondContact OD1-N 2.79Å
203	S	81.4	Confident	87.4	Confident	67 Å²	67	75.1 Å²	75.1	47%	0.469	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.6	-179.2	75.6	0	0	0	0	113.5	D200 E205	D200-S203 WeakPolarHBondContact CB-OG 3.26Å; D200-S203 PolarHBondContact OD1-N 2.72Å; S203-E205 PolarHBondContact O-N 2.66Å; S203-E205 WeakPolarHBondContact OG-CB 3.25Å; S203-E205 PolarHBondContact OG-N 3.31Å
204	G	82.6	Confident	87.2	Confident	38 Å²	38	73.2 Å²	73.2	39%	0.392	38%	0.377	S	S	.	.			trans	70.6	0.5	-172.5	0	0	0	0	0	114	K199 D200	K199-G204 WeakPolarHBondContact CD-O 3.45Å; D200-G204 WeakPolarHBondContact O-CA 3.31Å; D200-G204 PolarHBondContact O-N 2.77Å
205	E	85.3	Confident	87.1	Confident	139 Å²	139	69.2 Å²	69.2	65%	0.65	36%	0.358	S	S	*	.			trans	-77.4	151.1	179.9	-62.8	-176	151.1	0	0	110.9	K199 D200 S203 R207	K199-E205 CarbonylContact C-O 3.5Å; K199-E205 WeakPolarHBondContact CA-O 3.34Å; D200-E205 PolarHBondContact N-O 2.95Å; S203-E205 PolarHBondContact O-N 2.66Å; S203-E205 WeakPolarHBondContact OG-CB 3.25Å; S203-E205 PolarHBondContact OG-N 3.31Å; E205-R207 PolarHBondContact O-N 3.05Å
206	V	84.5	Confident	86.9	Confident	37 Å²	37	70.2 Å²	70.2	22%	0.224	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	114.7	177.2	-176.8	0	0	0	0	108.3	K197 K199 L209 V274	K197-V206 HydrophobicContact CB-CG1 4Å; K197-V206 HydrophobicContact CB-CG2 4.21Å; K197-V206 HydrophobicContact CD-CG2 4.11Å; K197-V206 HydrophobicContact CG-CG1 4.42Å; K199-V206 HydrophobicContact CG-CG2 4.16Å; V206-L209 HydrophobicContact CG1-CD2 4.03Å; V206-V274 HydrophobicContact CB-CG2 4.47Å; V206-V274 HydrophobicContact CG1-CG2 3.95Å; V206-V274 WeakPolarHBondContact O-CG2 3.32Å
207	R	86.3	Confident	86.7	Confident	166 Å²	166	72 Å²	72	63%	0.626	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	-40	178.7	-177	-175	165.9	179.8	-2.3	111.9	V198 E205 V274	V198-R207 PolarHBondContact O-N 2.73Å; E205-R207 PolarHBondContact O-N 3.05Å; R207-V274 WeakPolarHBondContact O-CB 3.42Å; R207-V274 PolarHBondContact O-N 3.34Å
208	C	87	Confident	86.4	Confident	20 Å²	20	67.6 Å²	67.6	14%	0.135	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.7	-177.9	-59.1	0	0	0	0	111.5	V198 M272	V198-C208 HydrophobicContact CB-CB 4.28Å; V198-C208 PolarHBondContact N-O 2.82Å; V198-C208 PolarHBondContact O-N 2.9Å; C208-M272 CarbonylContact C-O 3.43Å; C208-M272 WeakPolarHBondContact CA-O 3.46Å
209	L	90.8	Very high	85.7	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.5	161.6	-60.1	-174.5	0	0	0	109.1	I195 I196 K197 V206 L248 V252 M272	I195-L209 HydrophobicContact CG2-CB 4.38Å; I195-L209 HydrophobicContact CG2-CD2 4.32Å; I196-L209 WeakPolarHBondContact O-CA 3.28Å; K197-L209 HydrophobicContact CB-CD2 4.4Å; K197-L209 HydrophobicContact CD-CD2 4.37Å; K197-L209 HydrophobicContact CG-CD2 3.69Å; V206-L209 HydrophobicContact CG1-CD2 4.03Å; L209-L248 HydrophobicContact CD1-CB 4.22Å; L209-L248 HydrophobicContact CD1-CD2 4.26Å; L209-V252 HydrophobicContact CD1-CG1 3.87Å; L209-V252 HydrophobicContact CG-CG1 4.28Å; L209-M272 HydrophobicContact CB-CB 4.34Å; L209-M272 HydrophobicContact CB-CE 3.91Å; L209-M272 PolarHBondContact N-O 3.38Å; L209-M272 PolarHBondContact O-N 2.73Å
210	V	90.6	Very high	85.2	Confident	23 Å²	23	63.6 Å²	63.6	14%	0.139	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110.7	172.9	-178.3	0	0	0	0	108.4	I195 I196 V198 R212 T269 V270 T271	I195-V210 WeakPolarHBondContact CA-O 3.28Å; I196-V210 HydrophobicContact CB-CB 4.4Å; I196-V210 PolarHBondContact N-O 3.34Å; I196-V210 PolarHBondContact O-N 3.32Å; V198-V210 HydrophobicContact CG2-CG2 3.83Å; V210-R212 HydrophobicContact CG1-CG 4.48Å; V210-T269 HydrophobicContact CG1-CG2 3.69Å; V210-V270 CarbonylContact C-O 3.52Å; V210-V270 WeakPolarHBondContact CA-O 3.46Å; V210-T271 HydrophobicContact CG2-CG2 4.23Å
211	A	91.8	Very high	85.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.9	174.3	0	0	0	0	0	109.7	E194 L233 L246 T269 V270 M272	E194-A211 CarbonylContact O-C 3.47Å; E194-A211 WeakPolarHBondContact O-CA 3.49Å; A211-L233 HydrophobicContact CB-CD2 3.98Å; A211-L246 HydrophobicContact CB-CD2 4.42Å; A211-T269 CarbonylContact O-C 3.59Å; A211-T269 WeakPolarHBondContact O-CA 3.23Å; A211-V270 HydrophobicContact CB-CB 4.31Å; A211-V270 PolarHBondContact N-O 2.96Å; A211-V270 PolarHBondContact O-N 3.44Å; A211-M272 HydrophobicContact CB-CE 3.8Å
212	R	91.2	Very high	85	Confident	89 Å²	89	58.6 Å²	58.6	34%	0.336	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.8	171.8	-67	178	61.8	-142.4	-9.8	109	Y193 E194 V210 I267 L268 T269	Y193-R212 CarbonylContact C-O 3.53Å; Y193-R212 WeakPolarHBondContact CA-O 3.48Å; E194-R212 HydrophobicContact CG-CB 3.79Å; E194-R212 PolarHBondContact N-O 3.03Å; E194-R212 PolarHBondContact O-N 3.4Å; E194-R212 WeakPolarHBondContact OE1-CD 3.07Å; E194-R212 IonicContact OE1-CZ 3.15Å; E194-R212 IonicContact OE1-NE 2.79Å; E194-R212 IonicContact OE1-NH1 3.08Å; E194-R212 PolarHBondContact OE1-NH1 3.29Å; V210-R212 HydrophobicContact CG1-CG 4.48Å; R212-I267 HydrophobicContact CB-CG2 4.05Å; R212-L268 WeakPolarHBondContact CA-O 3.41Å; R212-T269 HydrophobicContact CG-CG2 4.46Å
213	I	94.9	Very high	84.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.8	-173.5	-54	166.5	0	0	0	108.7	P191 M215 L233 L235 L244 I267 L268 V270	P191-I213 HydrophobicContact CB-CG2 3.7Å; P191-I213 HydrophobicContact CG-CG2 3.65Å; I213-M215 HydrophobicContact CG2-CG 4.02Å; I213-M215 HydrophobicContact CG2-SD 4.35Å; I213-L233 HydrophobicContact CD1-CD2 4.11Å; I213-L235 HydrophobicContact CD1-CD2 4.45Å; I213-L235 HydrophobicContact CG2-CD2 4.23Å; I213-L244 HydrophobicContact CD1-CD2 3.87Å; I213-L244 HydrophobicContact CG1-CD2 4.23Å; I213-L244 HydrophobicContact CG2-CD2 4.33Å; I213-I267 CarbonylContact O-C 3.56Å; I213-I267 WeakPolarHBondContact O-CA 3.46Å; I213-L268 HydrophobicContact CB-CB 4.34Å; I213-L268 HydrophobicContact CD1-CD2 4.2Å; I213-L268 PolarHBondContact N-O 2.94Å; I213-L268 PolarHBondContact O-N 3.31Å; I213-V270 HydrophobicContact CD1-CG2 4.34Å
214	I	89.7	Confident	84.8	Confident	74 Å²	74	50.2 Å²	50.2	38%	0.379	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.1	-175.2	-60.1	166.3	0	0	0	109.4	P191 K192 I267	P191-I214 WeakPolarHBondContact CB-O 3.46Å; K192-I214 HydrophobicContact CB-CD1 4.46Å; K192-I214 PolarHBondContact O-N 3.35Å; I214-I267 HydrophobicContact CG1-CG1 4.32Å
215	M	88.7	Confident	84.9	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.			trans	-129.9	63	-173	-62.5	-173.8	-61.2	0	0	112.4	P191 I213 K217 L218 L224 L235 Y242 F261 K266 L268	P191-M215 HydrophobicContact CB-CG 4.21Å; I213-M215 HydrophobicContact CG2-CG 4.02Å; I213-M215 HydrophobicContact CG2-SD 4.35Å; M215-K217 PolarHBondContact O-N 3.43Å; M215-K217 VanDerWaalsContact O-N 3.07Å; M215-L218 HydrophobicContact CB-CD1 4.03Å; M215-L218 HydrophobicContact CB-CG 4.34Å; M215-L218 HydrophobicContact CE-CD1 4.09Å; M215-L218 PolarHBondContact O-N 3.04Å; M215-L218 VanDerWaalsContact O-N 3.1Å; M215-L218 HydrophobicContact SD-CD1 3.83Å; M215-L224 HydrophobicContact CE-CD1 3.5Å; M215-L224 VanDerWaalsContact CE-CD1 3.5Å; M215-L224 HydrophobicContact SD-CD1 4.05Å; M215-L224 HydrophobicContact SD-CD2 4.14Å; M215-L235 HydrophobicContact SD-CD2 3.68Å; M215-Y242 HydrophobicContact CB-CD2 4.08Å; M215-Y242 HydrophobicContact CB-CE2 3.63Å; M215-Y242 HydrophobicContact CG-CD2 4.05Å; M215-Y242 HydrophobicContact CG-CE2 4.02Å; M215-Y242 HydrophobicContact SD-CD2 4.3Å; M215-F261 HydrophobicContact CB-CE2 4.41Å; M215-F261 HydrophobicContact CE-CD2 3.6Å; M215-F261 HydrophobicContact CE-CE2 3.52Å; M215-K266 PolarHBondContact N-O 3.15Å; M215-L268 HydrophobicContact CE-CB 3.33Å; M215-L268 HydrophobicContact CE-CD2 3.97Å; M215-L268 HydrophobicContact CE-CG 4.23Å
216	P	86.9	Confident	85.1	Confident	86 Å²	86	43.4 Å²	43.4	56%	0.558	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.9	-171.4	25.4	-37	0	0	0	114.5	L218 Y242	P216-L218 VanDerWaalsContact C-N 3.3Å; P216-Y242 VanDerWaalsContact CD-OH 3.23Å; P216-Y242 WeakPolarHBondContact CD-OH 3.4Å
217	K	85.7	Confident	85.2	Confident	114 Å²	114	42.2 Å²	42.2	50%	0.496	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.9	178.8	-63.9	178.8	-176.1	-175	0	113.5	D189 M215 I241 Y242	D189-K217 WeakPolarHBondContact OD2-CE 3.32Å; D189-K217 IonicContact OD2-NZ 2.94Å; D189-K217 PolarHBondContact OD2-NZ 2.79Å; M215-K217 PolarHBondContact O-N 3.43Å; M215-K217 VanDerWaalsContact O-N 3.07Å; K217-I241 HydrophobicContact CB-CG2 3.7Å; K217-I241 HydrophobicContact CD-CG2 3.52Å; K217-I241 HydrophobicContact CG-CG2 4.28Å; K217-Y242 HydrophobicContact CB-CE2 3.95Å; K217-Y242 WeakPolarHBondContact CB-OH 3.47Å; K217-Y242 HydrophobicContact CD-CE1 4.45Å; K217-Y242 VanDerWaalsContact CG-OH 3.31Å; K217-Y242 WeakPolarHBondContact CG-OH 3.43Å; K217-Y242 PolarHBondContact N-OH 3.27Å
218	L	82.5	Confident	85.2	Confident	13 Å²	13	34.3 Å²	34.3	7%	0.068	18%	0.182	C	C	.	.			trans	-93.6	135.6	-176	-63.6	-179	0	0	0	111.8	M215 P216 L224 I241 Y242 F261 K266	M215-L218 HydrophobicContact CB-CD1 4.03Å; M215-L218 HydrophobicContact CB-CG 4.34Å; M215-L218 HydrophobicContact CE-CD1 4.09Å; M215-L218 PolarHBondContact O-N 3.04Å; M215-L218 VanDerWaalsContact O-N 3.1Å; M215-L218 HydrophobicContact SD-CD1 3.83Å; P216-L218 VanDerWaalsContact C-N 3.3Å; L218-L224 HydrophobicContact CD1-CD1 3.79Å; L218-L224 HydrophobicContact CD1-CD2 3.48Å; L218-L224 VanDerWaalsContact CD1-CD2 3.48Å; L218-L224 HydrophobicContact CD1-CG 3.8Å; L218-I241 HydrophobicContact CD2-CD1 3.88Å; L218-Y242 HydrophobicContact CD1-CD2 4.08Å; L218-Y242 HydrophobicContact CD1-CE2 4.35Å; L218-Y242 HydrophobicContact CG-CD2 4.09Å; L218-Y242 HydrophobicContact CG-CE2 3.98Å; L218-F261 HydrophobicContact CB-CZ 4.15Å; L218-K266 WeakPolarHBondContact O-CD 3.46Å; L218-K266 WeakPolarHBondContact O-CE 3.38Å; L218-K266 PolarHBondContact O-NZ 3.4Å
219	I	73.6	Confident	85.1	Confident	90 Å²	90	34.4 Å²	34.4	46%	0.462	19%	0.187	S	C	.	.	S	Bend	trans	-85.9	-35.3	174	58	177.1	0	0	0	111.8	P176 K266	P176-I219 HydrophobicContact CG-CD1 3.19Å; I219-K266 PolarHBondContact O-NZ 2.91Å
220	S	77.2	Confident	84.9	Confident	14 Å²	14	36.1 Å²	36.1	10%	0.098	20%	0.201	C	C	.	.	S	Bend	trans	-139.1	172.1	178.4	58.7	0	0	0	0	109.5	E167 D222	E167-S220 WeakPolarHBondContact OE1-CA 3.13Å; E167-S220 VanDerWaalsContact OE1-CB 3.29Å; E167-S220 WeakPolarHBondContact OE1-CB 3.18Å; S220-D222 WeakPolarHBondContact CB-OD2 3.47Å; S220-D222 PolarHBondContact O-N 2.93Å; S220-D222 WeakPolarHBondContact OG-CB 3.4Å; S220-D222 VanDerWaalsContact OG-CG 3.23Å; S220-D222 PolarHBondContact OG-N 3.4Å; S220-D222 PolarHBondContact OG-OD2 3.1Å
221	S	78.2	Confident	84.8	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.028	22%	0.218	C	C	.	.	S	Bend	trans	-78.1	1.9	171.2	63.7	0	0	0	0	113.4	I165 E167 G223 L224	I165-S221 VanDerWaalsContact CG2-CB 3.47Å; E167-S221 VanDerWaalsContact CD-OG 3.28Å; E167-S221 WeakPolarHBondContact CG-OG 3.34Å; E167-S221 PolarHBondContact OE1-N 3.05Å; E167-S221 PolarHBondContact OE1-OG 3.42Å; S221-G223 PolarHBondContact O-N 3.14Å; S221-L224 VanDerWaalsContact O-CB 3.31Å; S221-L224 WeakPolarHBondContact O-CB 3.36Å; S221-L224 PolarHBondContact O-N 3.42Å
222	D	74.7	Confident	84.8	Confident	112 Å²	112	41.6 Å²	41.6	60%	0.599	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	130.9	-177.5	-59.6	-36.7	0	0	0	110.7	S220 L224	S220-D222 WeakPolarHBondContact CB-OD2 3.47Å; S220-D222 PolarHBondContact O-N 2.93Å; S220-D222 WeakPolarHBondContact OG-CB 3.4Å; S220-D222 VanDerWaalsContact OG-CG 3.23Å; S220-D222 PolarHBondContact OG-N 3.4Å; S220-D222 PolarHBondContact OG-OD2 3.1Å; D222-L224 VanDerWaalsContact C-N 3.27Å; D222-L224 PolarHBondContact O-N 3.03Å
223	G	75	Confident	84.8	Confident	22 Å²	22	37.4 Å²	37.4	23%	0.227	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	2.7	-177.6	0	0	0	0	0	114.8	S221 S237 R238	S221-G223 PolarHBondContact O-N 3.14Å; G223-S237 CarbonylContact O-C 3.54Å; G223-S237 WeakPolarHBondContact O-CA 3.48Å; G223-R238 PolarHBondContact O-N 2.79Å
224	L	83.4	Confident	84.7	Confident	11 Å²	11	38.9 Å²	38.9	6%	0.058	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.6	166.9	-70.6	179.6	0	0	0	111	I165 M215 L218 S221 D222 L235	I165-L224 HydrophobicContact CD1-CB 3.51Å; I165-L224 HydrophobicContact CD1-CD1 3.94Å; I165-L224 HydrophobicContact CD1-CG 4.4Å; M215-L224 HydrophobicContact CE-CD1 3.5Å; M215-L224 VanDerWaalsContact CE-CD1 3.5Å; M215-L224 HydrophobicContact SD-CD1 4.05Å; M215-L224 HydrophobicContact SD-CD2 4.14Å; L218-L224 HydrophobicContact CD1-CD1 3.79Å; L218-L224 HydrophobicContact CD1-CD2 3.48Å; L218-L224 VanDerWaalsContact CD1-CD2 3.48Å; L218-L224 HydrophobicContact CD1-CG 3.8Å; S221-L224 VanDerWaalsContact O-CB 3.31Å; S221-L224 WeakPolarHBondContact O-CB 3.36Å; S221-L224 PolarHBondContact O-N 3.42Å; D222-L224 VanDerWaalsContact C-N 3.27Å; D222-L224 PolarHBondContact O-N 3.03Å; L224-L235 HydrophobicContact CB-CD1 4.36Å; L224-L235 HydrophobicContact CD2-CD1 4.06Å
225	D	84.7	Confident	84.8	Confident	33 Å²	33	35.4 Å²	35.4	18%	0.176	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.8	170.5	-174.7	37.7	0	0	0	109.2	R162 Q227 L235 N236	R162-D225 IonicContact CZ-OD1 2.53Å; R162-D225 IonicContact NE-OD1 3.81Å; R162-D225 PolarHBondContact NE-OD1 2.6Å; R162-D225 IonicContact NH2-OD1 3.39Å; R162-D225 PolarHBondContact NH2-OD1 2.87Å; D225-Q227 PolarHBondContact OD2-NE2 2.84Å; D225-L235 CarbonylContact O-C 3.57Å; D225-L235 VanDerWaalsContact O-CA 3.23Å; D225-L235 WeakPolarHBondContact O-CA 3.41Å; D225-N236 WeakPolarHBondContact CB-O 3.49Å; D225-N236 PolarHBondContact N-O 3.07Å; D225-N236 PolarHBondContact O-N 2.92Å
226	L	89.2	Confident	84.8	Confident	2 Å²	2	38 Å²	38	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.4	178.8	-176.8	66.9	0	0	0	109.4	R162 P163 I165 L233 Q234 L235 A259 L268 V270	R162-L226 WeakPolarHBondContact CA-O 3.29Å; R162-L226 WeakPolarHBondContact CG-O 3.49Å; P163-L226 HydrophobicContact CB-CD2 4.21Å; P163-L226 WeakPolarHBondContact CD-O 3.48Å; P163-L226 HydrophobicContact CG-CD2 4.26Å; I165-L226 HydrophobicContact CD1-CB 4.14Å; I165-L226 HydrophobicContact CG1-CB 4.39Å; I165-L226 HydrophobicContact CG1-CD2 4.28Å; L226-L233 HydrophobicContact CD1-CD1 3.52Å; L226-L233 HydrophobicContact CD1-CG 4.17Å; L226-L233 HydrophobicContact CG-CD1 4.21Å; L226-Q234 CarbonylContact C-O 3.35Å; L226-Q234 WeakPolarHBondContact CA-O 3.35Å; L226-Q234 WeakPolarHBondContact CD1-O 3.48Å; L226-L235 HydrophobicContact CB-CD1 4.19Å; L226-L235 HydrophobicContact CD1-CB 4.1Å; L226-L235 HydrophobicContact CD1-CD1 3.91Å; L226-A259 HydrophobicContact CD2-CB 3.43Å; L226-A259 VanDerWaalsContact CD2-CB 3.43Å; L226-L268 HydrophobicContact CD1-CD2 4.44Å; L226-L268 HydrophobicContact CD2-CD2 4.41Å; L226-V270 HydrophobicContact CD1-CG2 4.36Å; L226-V270 HydrophobicContact CD2-CG1 4.21Å; L226-V270 HydrophobicContact CD2-CG2 3.8Å
227	Q	87	Confident	84.4	Confident	11 Å²	11	34.4 Å²	34.4	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.8	177.8	-56.5	-176.5	30.1	0	0	109.8	S160 S161 D225 Q234	S160-Q227 PolarHBondContact OG-OE1 3.48Å; S161-Q227 WeakPolarHBondContact O-CA 3.23Å; D225-Q227 PolarHBondContact OD2-NE2 2.84Å; Q227-Q234 HydrophobicContact CB-CB 4.36Å; Q227-Q234 PolarHBondContact N-O 2.81Å; Q227-Q234 PolarHBondContact O-N 3.27Å
228	V	85.3	Confident	83.8	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.3	176.9	-176.7	0	0	0	0	107	S161 P163 L233 V252 E254 T257	S161-V228 PolarHBondContact N-O 3.49Å; S161-V228 PolarHBondContact O-N 2.89Å; S161-V228 WeakPolarHBondContact OG-CB 3.42Å; S161-V228 PolarHBondContact OG-O 2.88Å; P163-V228 HydrophobicContact CG-CB 4.27Å; P163-V228 HydrophobicContact CG-CG2 3.37Å; V228-L233 HydrophobicContact CG2-CD1 3.54Å; V228-V252 HydrophobicContact CG1-CG2 3.79Å; V228-E254 HydrophobicContact CG1-CG 4.22Å; V228-E254 WeakPolarHBondContact O-CG 3.18Å; V228-E254 VanDerWaalsContact O-OE2 3.11Å; V228-T257 HydrophobicContact CG2-CG2 3.99Å
229	G	86.1	Confident	83.4	Confident	22 Å²	22	42.1 Å²	42.1	23%	0.227	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	174	161.1	0	0	0	0	0	110.3	D231 L232	G229-D231 PolarHBondContact O-N 3.49Å; G229-L232 PolarHBondContact N-O 2.96Å; G229-L232 PolarHBondContact O-N 2.8Å
230	A	85.8	Confident	83.6	Confident	38 Å²	38	43.8 Å²	43.8	31%	0.314	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-35.9	-178.8	0	0	0	0	0	113.7	L251 V252 E254	A230-L251 HydrophobicContact CB-CD2 4.05Å; A230-L251 CarbonylContact O-C 3.48Å; A230-L251 WeakPolarHBondContact O-CA 3.36Å; A230-V252 PolarHBondContact O-N 3.39Å; A230-E254 WeakPolarHBondContact CA-OE1 3.11Å; A230-E254 PolarHBondContact N-OE1 3.29Å
231	D	88.7	Confident	83.9	Confident	92 Å²	92	45.1 Å²	45.1	49%	0.492	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	19.7	-179.8	64.8	-12.1	0	0	0	113.5	G229 L248 L251	G229-D231 PolarHBondContact O-N 3.49Å; D231-L248 WeakPolarHBondContact O-CB 3.31Å; D231-L248 PolarHBondContact O-N 3.39Å; D231-L251 HydrophobicContact CB-CD2 4.07Å
232	L	91.5	Very high	84.4	Confident	47 Å²	47	45.3 Å²	45.3	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.2	-176.5	-175.9	67.2	0	0	0	111.4	G229 Q234 P247	G229-L232 PolarHBondContact N-O 2.96Å; G229-L232 PolarHBondContact O-N 2.8Å; L232-Q234 HydrophobicContact CD2-CG 3.76Å; L232-Q234 HydrophobicContact CG-CG 3.84Å; L232-P247 HydrophobicContact CD1-CG 4.21Å
233	L	92	Very high	85.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.2	169.6	178.4	73.2	0	0	0	109.2	A211 I213 L226 V228 L246 L248 V270 M272	A211-L233 HydrophobicContact CB-CD2 3.98Å; I213-L233 HydrophobicContact CD1-CD2 4.11Å; L226-L233 HydrophobicContact CD1-CD1 3.52Å; L226-L233 HydrophobicContact CD1-CG 4.17Å; L226-L233 HydrophobicContact CG-CD1 4.21Å; V228-L233 HydrophobicContact CG2-CD1 3.54Å; L233-L246 HydrophobicContact CB-CB 4.15Å; L233-L246 HydrophobicContact CB-CD2 4.24Å; L233-L246 HydrophobicContact CD2-CD2 3.77Å; L233-L246 PolarHBondContact N-O 2.86Å; L233-L246 WeakPolarHBondContact O-CB 3.44Å; L233-L246 PolarHBondContact O-N 2.8Å; L233-L248 HydrophobicContact CB-CD2 4.28Å; L233-V270 HydrophobicContact CD1-CG1 4.1Å; L233-V270 HydrophobicContact CD2-CB 4.46Å; L233-V270 HydrophobicContact CD2-CG2 4.34Å; L233-M272 HydrophobicContact CD1-SD 4.32Å; L233-M272 HydrophobicContact CD2-CE 4.44Å; L233-M272 HydrophobicContact CD2-SD 4.42Å
234	Q	92.2	Very high	86	Confident	32 Å²	32	40.8 Å²	40.8	15%	0.15	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.7	176.4	-61.7	178.3	-75.8	0	0	110.4	L226 Q227 L232 L244 E245	L226-Q234 CarbonylContact C-O 3.35Å; L226-Q234 WeakPolarHBondContact CA-O 3.35Å; L226-Q234 WeakPolarHBondContact CD1-O 3.48Å; Q227-Q234 HydrophobicContact CB-CB 4.36Å; Q227-Q234 PolarHBondContact N-O 2.81Å; Q227-Q234 PolarHBondContact O-N 3.27Å; L232-Q234 HydrophobicContact CD2-CG 3.76Å; L232-Q234 HydrophobicContact CG-CG 3.84Å; Q234-L244 CarbonylContact C-O 3.52Å; Q234-L244 WeakPolarHBondContact CA-O 3.38Å; Q234-E245 HydrophobicContact CG-CG 4.21Å; Q234-E245 PolarHBondContact NE2-OE1 2.78Å
235	L	92.2	Very high	86.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.3	177.1	175.6	82.8	0	0	0	109.7	P191 I213 M215 L224 D225 L226 S243 L244 L268	P191-L235 HydrophobicContact CG-CD2 4.4Å; I213-L235 HydrophobicContact CD1-CD2 4.45Å; I213-L235 HydrophobicContact CG2-CD2 4.23Å; M215-L235 HydrophobicContact SD-CD2 3.68Å; L224-L235 HydrophobicContact CB-CD1 4.36Å; L224-L235 HydrophobicContact CD2-CD1 4.06Å; D225-L235 CarbonylContact O-C 3.57Å; D225-L235 VanDerWaalsContact O-CA 3.23Å; D225-L235 WeakPolarHBondContact O-CA 3.41Å; L226-L235 HydrophobicContact CB-CD1 4.19Å; L226-L235 HydrophobicContact CD1-CB 4.1Å; L226-L235 HydrophobicContact CD1-CD1 3.91Å; L235-S243 CarbonylContact O-C 3.47Å; L235-S243 WeakPolarHBondContact O-CA 3.31Å; L235-L244 HydrophobicContact CB-CB 4.23Å; L235-L244 PolarHBondContact N-O 2.68Å; L235-L244 PolarHBondContact O-N 2.89Å; L235-L268 HydrophobicContact CD1-CD2 3.88Å; L235-L268 HydrophobicContact CD2-CD2 4.41Å
236	N	88.2	Confident	86.8	Confident	55 Å²	55	44.7 Å²	44.7	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.5	172.6	-65.3	-64.5	0	0	0	110.5	D225 S243	D225-N236 WeakPolarHBondContact CB-O 3.49Å; D225-N236 PolarHBondContact N-O 3.07Å; D225-N236 PolarHBondContact O-N 2.92Å; N236-S243 WeakPolarHBondContact OD1-CB 3.33Å; N236-S243 PolarHBondContact OD1-OG 2.79Å
237	S	80.2	Confident	86.9	Confident	11 Å²	11	49 Å²	49	8%	0.077	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.1	169.8	65.4	0	0	0	0	111	G223 D239 Q240 I241 Y242	G223-S237 CarbonylContact O-C 3.54Å; G223-S237 WeakPolarHBondContact O-CA 3.48Å; S237-D239 VanDerWaalsContact C-N 3.29Å; S237-D239 PolarHBondContact O-N 2.93Å; S237-Q240 WeakPolarHBondContact O-CA 3.4Å; S237-Q240 PolarHBondContact O-N 3.45Å; S237-Q240 PolarHBondContact OG-N 3.38Å; S237-I241 PolarHBondContact OG-N 3.17Å; S237-Y242 PolarHBondContact N-O 3.25Å; S237-Y242 PolarHBondContact OG-N 3.22Å; S237-Y242 PolarHBondContact OG-O 2.83Å
238	R	71.3	Confident	87	Confident	169 Å²	169	48.9 Å²	48.9	64%	0.638	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-42.8	179	-172.9	-176.7	-64.4	172.8	-1.4	113.5	G223 Q240	G223-R238 PolarHBondContact O-N 2.79Å; R238-Q240 PolarHBondContact O-N 2.82Å
239	D	74.6	Confident	87.1	Confident	119 Å²	119	56 Å²	56	64%	0.636	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	13	-179.7	-56.4	-28.1	0	0	0	112.4	S237 I241	S237-D239 VanDerWaalsContact C-N 3.29Å; S237-D239 PolarHBondContact O-N 2.93Å; D239-I241 HydrophobicContact CB-CD1 3.99Å; D239-I241 HydrophobicContact CB-CG1 3.93Å; D239-I241 PolarHBondContact O-N 2.84Å
240	Q	77.9	Confident	87	Confident	126 Å²	126	56.4 Å²	56.4	59%	0.589	29%	0.294	S	S	*	.	S	Bend	trans	54.5	24.7	-178.8	-57.4	178.5	50.9	0	0	113.9	S188 S237 R238 Y242	S188-Q240 WeakPolarHBondContact CA-O 3.45Å; S188-Q240 WeakPolarHBondContact CB-O 3.47Å; S237-Q240 WeakPolarHBondContact O-CA 3.4Å; S237-Q240 PolarHBondContact O-N 3.45Å; S237-Q240 PolarHBondContact OG-N 3.38Å; R238-Q240 PolarHBondContact O-N 2.82Å; Q240-Y242 VanDerWaalsContact C-N 3.34Å
241	I	83.4	Confident	87.2	Confident	41 Å²	41	59.1 Å²	59.1	21%	0.21	30%	0.302	C	S	.	.	S	Bend	trans	-63.2	-42.9	174.5	-60.7	169.9	0	0	0	110.6	D189 K217 L218 S237 D239	D189-I241 PolarHBondContact N-O 2.71Å; D189-I241 VanDerWaalsContact N-O 3.1Å; K217-I241 HydrophobicContact CB-CG2 3.7Å; K217-I241 HydrophobicContact CD-CG2 3.52Å; K217-I241 HydrophobicContact CG-CG2 4.28Å; L218-I241 HydrophobicContact CD2-CD1 3.88Å; S237-I241 PolarHBondContact OG-N 3.17Å; D239-I241 HydrophobicContact CB-CD1 3.99Å; D239-I241 HydrophobicContact CB-CG1 3.93Å; D239-I241 PolarHBondContact O-N 2.84Å
242	Y	88.4	Confident	87.2	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.035	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-131.1	142.3	-179.2	-67.8	-59	0	0	0	112.7	D189 P191 M215 P216 K217 L218 S237 Q240	D189-Y242 HydrophobicContact CB-CD1 4.09Å; D189-Y242 HydrophobicContact CB-CE1 4.15Å; D189-Y242 VanDerWaalsContact O-CA 3.28Å; D189-Y242 WeakPolarHBondContact O-CA 3.21Å; P191-Y242 HydrophobicContact CB-CD1 3.82Å; P191-Y242 HydrophobicContact CB-CE1 4.06Å; P191-Y242 HydrophobicContact CB-CG 4.34Å; P191-Y242 HydrophobicContact CG-CD1 4.19Å; P191-Y242 HydrophobicContact CG-CG 4.46Å; M215-Y242 HydrophobicContact CB-CD2 4.08Å; M215-Y242 HydrophobicContact CB-CE2 3.63Å; M215-Y242 HydrophobicContact CG-CD2 4.05Å; M215-Y242 HydrophobicContact CG-CE2 4.02Å; M215-Y242 HydrophobicContact SD-CD2 4.3Å; P216-Y242 VanDerWaalsContact CD-OH 3.23Å; P216-Y242 WeakPolarHBondContact CD-OH 3.4Å; K217-Y242 HydrophobicContact CB-CE2 3.95Å; K217-Y242 WeakPolarHBondContact CB-OH 3.47Å; K217-Y242 HydrophobicContact CD-CE1 4.45Å; K217-Y242 VanDerWaalsContact CG-OH 3.31Å; K217-Y242 WeakPolarHBondContact CG-OH 3.43Å; K217-Y242 PolarHBondContact N-OH 3.27Å; L218-Y242 HydrophobicContact CD1-CD2 4.08Å; L218-Y242 HydrophobicContact CD1-CE2 4.35Å; L218-Y242 HydrophobicContact CG-CD2 4.09Å; L218-Y242 HydrophobicContact CG-CE2 3.98Å; S237-Y242 PolarHBondContact N-O 3.25Å; S237-Y242 PolarHBondContact OG-N 3.22Å; S237-Y242 PolarHBondContact OG-O 2.83Å; Q240-Y242 VanDerWaalsContact C-N 3.34Å
243	S	90.9	Very high	86.8	Confident	33 Å²	33	55 Å²	55	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	132.2	166.1	-174.9	0	0	0	0	109.8	S188 D189 T190 L235 N236	S188-S243 WeakPolarHBondContact OG-CB 3.26Å; D189-S243 PolarHBondContact O-N 3.37Å; T190-S243 WeakPolarHBondContact CA-O 3.46Å; L235-S243 CarbonylContact O-C 3.47Å; L235-S243 WeakPolarHBondContact O-CA 3.31Å; N236-S243 WeakPolarHBondContact OD1-CB 3.33Å; N236-S243 PolarHBondContact OD1-OG 2.79Å
244	L	93	Very high	86.3	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	131.7	179.5	175.1	67.3	0	0	0	109.5	T190 P191 Y193 I213 Q234 L235 L246	T190-L244 HydrophobicContact CG2-CD1 3.81Å; P191-L244 HydrophobicContact CG-CB 4.01Å; P191-L244 HydrophobicContact CG-CD2 4.29Å; Y193-L244 HydrophobicContact CD1-CD1 3.7Å; Y193-L244 HydrophobicContact CD1-CD2 4.13Å; Y193-L244 HydrophobicContact CE1-CD1 3.6Å; I213-L244 HydrophobicContact CD1-CD2 3.87Å; I213-L244 HydrophobicContact CG1-CD2 4.23Å; I213-L244 HydrophobicContact CG2-CD2 4.33Å; Q234-L244 CarbonylContact C-O 3.52Å; Q234-L244 WeakPolarHBondContact CA-O 3.38Å; L235-L244 HydrophobicContact CB-CB 4.23Å; L235-L244 PolarHBondContact N-O 2.68Å; L235-L244 PolarHBondContact O-N 2.89Å; L244-L246 HydrophobicContact CD1-CB 4.44Å; L244-L246 HydrophobicContact CD2-CB 4.4Å; L244-L246 HydrophobicContact CG-CB 4.24Å
245	E	93.1	Very high	85.4	Confident	124 Å²	124	63.9 Å²	63.9	58%	0.579	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	122.5	163.6	-60.3	-167.1	149.3	0	0	107.7	Q234	Q234-E245 HydrophobicContact CG-CG 4.21Å; Q234-E245 PolarHBondContact NE2-OE1 2.78Å
246	L	90.9	Very high	84.6	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	95	-169.8	-177.6	79.8	0	0	0	109.8	Y193 I195 A211 L233 L244 L248	Y193-L246 HydrophobicContact CD1-CD1 4.33Å; Y193-L246 HydrophobicContact CD2-CD1 3.64Å; Y193-L246 HydrophobicContact CE1-CD1 3.85Å; Y193-L246 HydrophobicContact CE2-CD1 3.08Å; Y193-L246 HydrophobicContact CE2-CG 4.46Å; Y193-L246 HydrophobicContact CG-CD1 4.24Å; Y193-L246 WeakPolarHBondContact OH-CD1 3.14Å; I195-L246 HydrophobicContact CD1-CD1 4.07Å; I195-L246 HydrophobicContact CD1-CD2 3.69Å; I195-L246 HydrophobicContact CD1-CG 4.02Å; I195-L246 HydrophobicContact CG1-CD2 4.01Å; A211-L246 HydrophobicContact CB-CD2 4.42Å; L233-L246 HydrophobicContact CB-CB 4.15Å; L233-L246 HydrophobicContact CB-CD2 4.24Å; L233-L246 HydrophobicContact CD2-CD2 3.77Å; L233-L246 PolarHBondContact N-O 2.86Å; L233-L246 WeakPolarHBondContact O-CB 3.44Å; L233-L246 PolarHBondContact O-N 2.8Å; L244-L246 HydrophobicContact CD1-CB 4.44Å; L244-L246 HydrophobicContact CD2-CB 4.4Å; L244-L246 HydrophobicContact CG-CB 4.24Å; L246-L248 HydrophobicContact CD2-CD2 4.15Å; L246-L248 HydrophobicContact CG-CD2 4.42Å; L246-L248 PolarHBondContact O-N 2.89Å
247	P	92.1	Very high	84.4	Confident	91 Å²	91	64.7 Å²	64.7	59%	0.591	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	132.8	171.8	-23	34	0	0	0	111.1	L232	L232-P247 HydrophobicContact CD1-CG 4.21Å
248	L	89.3	Confident	84.5	Confident	10 Å²	10	66.7 Å²	66.7	5%	0.052	34%	0.341	C	S	.	.			trans	-101.3	123.6	-179.5	-52.7	176.1	0	0	0	109	I195 L209 D231 L233 L246 T250 V252 M272	I195-L248 HydrophobicContact CD1-CD2 4.37Å; L209-L248 HydrophobicContact CD1-CB 4.22Å; L209-L248 HydrophobicContact CD1-CD2 4.26Å; D231-L248 WeakPolarHBondContact O-CB 3.31Å; D231-L248 PolarHBondContact O-N 3.39Å; L233-L248 HydrophobicContact CB-CD2 4.28Å; L246-L248 HydrophobicContact CD2-CD2 4.15Å; L246-L248 HydrophobicContact CG-CD2 4.42Å; L246-L248 PolarHBondContact O-N 2.89Å; L248-T250 PolarHBondContact O-N 2.76Å; L248-V252 HydrophobicContact CD1-CB 4.45Å; L248-V252 HydrophobicContact CD1-CG1 3.94Å; L248-V252 HydrophobicContact CD1-CG2 3.63Å; L248-M272 HydrophobicContact CD1-SD 3.79Å; L248-M272 HydrophobicContact CD2-CE 4.2Å; L248-M272 HydrophobicContact CD2-SD 4.29Å
249	N	86.9	Confident	85.3	Confident	148 Å²	148	58.7 Å²	58.7	79%	0.791	31%	0.31	S	S	*	.	S	Bend	trans	-75.6	17.2	178.7	-62.4	-27.8	0	0	0	113.3
250	T	85.1	Confident	85.8	Confident	32 Å²	32	55.9 Å²	55.9	20%	0.196	29%	0.294	C	S	.	.	S	Bend	trans	-157.4	136.8	-175.7	-53.3	0	0	0	0	107.8	L248 V252 V274	L248-T250 PolarHBondContact O-N 2.76Å; T250-V252 PolarHBondContact O-N 2.98Å; T250-V274 HydrophobicContact CG2-CB 4.32Å; T250-V274 HydrophobicContact CG2-CG1 3.7Å; T250-V274 HydrophobicContact CG2-CG2 3.66Å
251	L	90	Very high	86.3	Confident	94 Å²	94	49.9 Å²	49.9	49%	0.492	27%	0.266	S	S	.	.			trans	-68.9	130.6	177.5	-63.1	173.6	0	0	0	110.1	A230 D231 V274 S275	A230-L251 HydrophobicContact CB-CD2 4.05Å; A230-L251 CarbonylContact O-C 3.48Å; A230-L251 WeakPolarHBondContact O-CA 3.36Å; D231-L251 HydrophobicContact CB-CD2 4.07Å; L251-V274 WeakPolarHBondContact O-CA 3.43Å; L251-S275 PolarHBondContact O-N 3.14Å
252	V	88.7	Confident	86.2	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.012	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-112.7	156.6	-180	-61.7	0	0	0	0	111.2	L209 V228 A230 L248 T250 E254 M272 P273 S275	L209-V252 HydrophobicContact CD1-CG1 3.87Å; L209-V252 HydrophobicContact CG-CG1 4.28Å; V228-V252 HydrophobicContact CG1-CG2 3.79Å; A230-V252 PolarHBondContact O-N 3.39Å; L248-V252 HydrophobicContact CD1-CB 4.45Å; L248-V252 HydrophobicContact CD1-CG1 3.94Å; L248-V252 HydrophobicContact CD1-CG2 3.63Å; T250-V252 PolarHBondContact O-N 2.98Å; V252-E254 PolarHBondContact O-N 3.04Å; V252-M272 HydrophobicContact CB-CB 3.94Å; V252-M272 HydrophobicContact CG1-CB 3.73Å; V252-M272 HydrophobicContact CG2-CB 4.35Å; V252-P273 CarbonylContact C-O 3.51Å; V252-P273 VanDerWaalsContact CA-O 3.23Å; V252-P273 WeakPolarHBondContact CA-O 3.16Å; V252-P273 WeakPolarHBondContact CB-O 3.15Å; V252-S275 PolarHBondContact O-OG 2.79Å
253	N	83.5	Confident	85.8	Confident	50 Å²	50	52 Å²	52	27%	0.267	27%	0.274	S	S	.	.			trans	-88.2	100.5	173.2	-177.4	-51.5	0	0	0	108.1	E255 T256 T257 P273 S275	N253-E255 VanDerWaalsContact C-N 3.34Å; N253-E255 PolarHBondContact O-N 2.86Å; N253-E255 PolarHBondContact OD1-N 2.83Å; N253-E255 VanDerWaalsContact OD1-N 3.14Å; N253-T256 VanDerWaalsContact CB-OG1 3.31Å; N253-T256 WeakPolarHBondContact CB-OG1 3.5Å; N253-T256 PolarHBondContact O-N 2.79Å; N253-T256 PolarHBondContact O-OG1 2.98Å; N253-T256 WeakPolarHBondContact OD1-CG2 3.43Å; N253-T256 PolarHBondContact OD1-N 2.59Å; N253-T256 PolarHBondContact OD1-OG1 2.84Å; N253-T257 PolarHBondContact O-N 2.87Å; N253-T257 PolarHBondContact O-OG1 2.83Å; N253-P273 PolarHBondContact N-O 2.56Å; N253-S275 WeakPolarHBondContact CA-OG 3.23Å; N253-S275 PolarHBondContact N-OG 3.1Å; N253-S275 VanDerWaalsContact N-OG 3.14Å
254	E	81.5	Confident	85.2	Confident	54 Å²	54	55.3 Å²	55.3	25%	0.252	29%	0.289	S	S	.	.	S	Bend	trans	-47.3	-51.1	175.4	-75	-176.2	-130.2	0	0	113	S161 V228 A230 V252 T256 T257	S161-E254 WeakPolarHBondContact OG-CB 3.18Å; V228-E254 HydrophobicContact CG1-CG 4.22Å; V228-E254 WeakPolarHBondContact O-CG 3.18Å; V228-E254 VanDerWaalsContact O-OE2 3.11Å; A230-E254 WeakPolarHBondContact CA-OE1 3.11Å; A230-E254 PolarHBondContact N-OE1 3.29Å; V252-E254 PolarHBondContact O-N 3.04Å; E254-T256 VanDerWaalsContact C-N 3.33Å; E254-T256 PolarHBondContact O-N 2.82Å; E254-T257 WeakPolarHBondContact O-CB 3.28Å; E254-T257 PolarHBondContact O-N 2.87Å
255	E	72.3	Confident	84.9	Confident	165 Å²	165	58.7 Å²	58.7	77%	0.771	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29.2	-172.7	-58.6	-176.5	163.3	0	0	113.8	N253	N253-E255 VanDerWaalsContact C-N 3.34Å; N253-E255 PolarHBondContact O-N 2.86Å; N253-E255 PolarHBondContact OD1-N 2.83Å; N253-E255 VanDerWaalsContact OD1-N 3.14Å
256	T	75.9	Confident	84.6	Confident	68 Å²	68	54.8 Å²	54.8	42%	0.417	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	1.4	-178.2	59.8	0	0	0	0	113.2	N253 E254 P273	N253-T256 VanDerWaalsContact CB-OG1 3.31Å; N253-T256 WeakPolarHBondContact CB-OG1 3.5Å; N253-T256 PolarHBondContact O-N 2.79Å; N253-T256 PolarHBondContact O-OG1 2.98Å; N253-T256 WeakPolarHBondContact OD1-CG2 3.43Å; N253-T256 PolarHBondContact OD1-N 2.59Å; N253-T256 PolarHBondContact OD1-OG1 2.84Å; E254-T256 VanDerWaalsContact C-N 3.33Å; E254-T256 PolarHBondContact O-N 2.82Å; T256-P273 WeakPolarHBondContact OG1-CG 3.38Å
257	T	83.3	Confident	84.4	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.031	30%	0.296	C	S	.	.			trans	-69.5	137.8	176.9	-66.6	0	0	0	0	111.2	P163 V228 N253 E254 V270 T271 M272	P163-T257 HydrophobicContact CB-CG2 4.18Å; P163-T257 HydrophobicContact CG-CG2 3.65Å; V228-T257 HydrophobicContact CG2-CG2 3.99Å; N253-T257 PolarHBondContact O-N 2.87Å; N253-T257 PolarHBondContact O-OG1 2.83Å; E254-T257 WeakPolarHBondContact O-CB 3.28Å; E254-T257 PolarHBondContact O-N 2.87Å; T257-V270 HydrophobicContact CG2-CG1 3.64Å; T257-T271 WeakPolarHBondContact CA-O 3.29Å; T257-T271 WeakPolarHBondContact CG2-O 3.36Å; T257-M272 HydrophobicContact CG2-CB 4.38Å; T257-M272 HydrophobicContact CG2-CG 3.54Å
258	V	83.3	Confident	84.4	Confident	53 Å²	53	51.3 Å²	51.3	32%	0.321	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.3	176.4	-63	0	0	0	0	110.4	V270 T271	V258-V270 CarbonylContact O-C 3.57Å; V258-V270 WeakPolarHBondContact O-CA 3.21Å; V258-T271 HydrophobicContact CG2-CG2 4.48Å; V258-T271 PolarHBondContact N-O 2.8Å; V258-T271 PolarHBondContact O-N 2.95Å
259	A	88.3	Confident	84.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.9	177.1	0	0	0	0	0	110.7	P163 A164 I165 I166 L226 L268 T269 V270	P163-A259 HydrophobicContact CB-CB 4.12Å; A164-A259 WeakPolarHBondContact O-CB 3.42Å; A164-A259 PolarHBondContact O-N 2.79Å; I165-A259 CarbonylContact C-O 3.52Å; I165-A259 WeakPolarHBondContact CA-O 3.4Å; I165-A259 HydrophobicContact CG1-CB 4.15Å; I166-A259 PolarHBondContact N-O 3.02Å; L226-A259 HydrophobicContact CD2-CB 3.43Å; L226-A259 VanDerWaalsContact CD2-CB 3.43Å; A259-L268 HydrophobicContact CB-CD1 4.1Å; A259-T269 CarbonylContact C-O 3.55Å; A259-T269 VanDerWaalsContact CA-O 3.28Å; A259-T269 WeakPolarHBondContact CA-O 3.45Å; A259-V270 HydrophobicContact CB-CG1 4.43Å; A259-V270 HydrophobicContact CB-CG2 4.26Å
260	E	84.7	Confident	84.8	Confident	61 Å²	61	45.4 Å²	45.4	29%	0.285	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.3	-177.2	-60	-179.9	135.6	0	0	109.3	I166 M168 L268 T269	I166-E260 HydrophobicContact CB-CG 4.34Å; I166-E260 HydrophobicContact CD1-CG 4.45Å; I166-E260 CarbonylContact O-C 3.59Å; I166-E260 VanDerWaalsContact O-CA 3.25Å; I166-E260 WeakPolarHBondContact O-CA 3.47Å; M168-E260 VanDerWaalsContact CE-CD 3.46Å; M168-E260 HydrophobicContact CE-CG 4.42Å; M168-E260 VanDerWaalsContact CE-OE1 3.28Å; M168-E260 WeakPolarHBondContact CE-OE1 3.35Å; E260-L268 CarbonylContact O-C 3.55Å; E260-L268 WeakPolarHBondContact O-CA 3.36Å; E260-T269 PolarHBondContact N-O 2.86Å; E260-T269 PolarHBondContact O-N 2.82Å
261	F	87	Confident	85	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.6	175	-178	-110.9	0	0	0	110.7	I165 I166 E167 M168 M215 L218 R263 K266 L268	I165-F261 HydrophobicContact CG2-CB 3.44Å; I165-F261 VanDerWaalsContact CG2-CB 3.44Å; I166-F261 PolarHBondContact O-N 3.41Å; E167-F261 WeakPolarHBondContact CA-O 3.23Å; M168-F261 PolarHBondContact N-O 3.41Å; M215-F261 HydrophobicContact CB-CE2 4.41Å; M215-F261 HydrophobicContact CE-CD2 3.6Å; M215-F261 HydrophobicContact CE-CE2 3.52Å; L218-F261 HydrophobicContact CB-CZ 4.15Å; F261-R263 HydrophobicContact CD1-CG 4.12Å; F261-R263 HydrophobicContact CE1-CG 4.09Å; F261-K266 HydrophobicContact CZ-CD 4.13Å; F261-L268 HydrophobicContact CB-CD1 4.18Å; F261-L268 HydrophobicContact CD2-CB 4.06Å
262	N	82.3	Confident	85.1	Confident	39 Å²	39	41.3 Å²	41.3	21%	0.209	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.2	175.1	-174.2	-50.1	0	0	0	110.2	M168 N264 T265 K266 I267	M168-N262 HydrophobicContact CB-CB 4.45Å; N262-N264 PolarHBondContact O-N 3.48Å; N262-N264 WeakPolarHBondContact OD1-CA 3.36Å; N262-N264 WeakPolarHBondContact OD1-CB 3.48Å; N262-N264 PolarHBondContact OD1-N 3.19Å; N262-T265 VanDerWaalsContact CB-OG1 3.29Å; N262-T265 WeakPolarHBondContact CB-OG1 3.49Å; N262-T265 VanDerWaalsContact CG-OG1 3.32Å; N262-T265 PolarHBondContact OD1-N 3.19Å; N262-T265 PolarHBondContact OD1-OG1 2.85Å; N262-K266 VanDerWaalsContact O-CA 3.26Å; N262-K266 WeakPolarHBondContact O-CA 3.17Å; N262-K266 PolarHBondContact O-N 2.81Å; N262-I267 PolarHBondContact N-O 3.05Å; N262-I267 PolarHBondContact O-N 2.81Å
263	R	80.2	Confident	85.1	Confident	54 Å²	54	42.9 Å²	42.9	20%	0.204	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.1	-177.9	-72.5	177.5	165.6	-174.5	-5.2	113.9	E167 F261 K266	E167-R263 VanDerWaalsContact CD-NH2 3.33Å; E167-R263 IonicContact OE1-CZ 3.29Å; E167-R263 IonicContact OE1-NE 3.62Å; E167-R263 PolarHBondContact OE1-NE 2.83Å; E167-R263 VanDerWaalsContact OE1-NE 3.08Å; E167-R263 IonicContact OE1-NH2 3.83Å; E167-R263 PolarHBondContact OE1-NH2 2.83Å; E167-R263 IonicContact OE2-CZ 2.67Å; E167-R263 IonicContact OE2-NE 2.85Å; E167-R263 PolarHBondContact OE2-NE 2.86Å; E167-R263 IonicContact OE2-NH1 2.64Å; E167-R263 IonicContact OE2-NH2 3.7Å; E167-R263 PolarHBondContact OE2-NH2 2.8Å; F261-R263 HydrophobicContact CD1-CG 4.12Å; F261-R263 HydrophobicContact CE1-CG 4.09Å; R263-K266 VanDerWaalsContact O-CD 3.26Å; R263-K266 WeakPolarHBondContact O-CD 3.38Å; R263-K266 WeakPolarHBondContact O-CE 3.41Å; R263-K266 PolarHBondContact O-NZ 2.85Å
264	N	77.9	Confident	85.5	Confident	103 Å²	103	42 Å²	42	55%	0.551	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-51.1	177.1	-61.3	-49.4	0	0	0	111.2	N169 G170 N262 K266	N169-N264 PolarHBondContact O-ND2 3.26Å; G170-N264 VanDerWaalsContact CA-ND2 3.25Å; G170-N264 WeakPolarHBondContact CA-ND2 3.42Å; G170-N264 WeakPolarHBondContact CA-OD1 3.45Å; N262-N264 PolarHBondContact O-N 3.48Å; N262-N264 WeakPolarHBondContact OD1-CA 3.36Å; N262-N264 WeakPolarHBondContact OD1-CB 3.48Å; N262-N264 PolarHBondContact OD1-N 3.19Å; N264-K266 VanDerWaalsContact C-N 3.33Å
265	T	85.9	Confident	85.7	Confident	77 Å²	77	41.5 Å²	41.5	47%	0.472	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.7	-176.8	64.9	0	0	0	0	112.6	N262 I267	N262-T265 VanDerWaalsContact CB-OG1 3.29Å; N262-T265 WeakPolarHBondContact CB-OG1 3.49Å; N262-T265 VanDerWaalsContact CG-OG1 3.32Å; N262-T265 PolarHBondContact OD1-N 3.19Å; N262-T265 PolarHBondContact OD1-OG1 2.85Å; T265-I267 VanDerWaalsContact C-N 3.28Å; T265-I267 WeakPolarHBondContact O-CG1 3.44Å; T265-I267 PolarHBondContact O-N 2.9Å
266	K	86.7	Confident	85.6	Confident	42 Å²	42	39.3 Å²	39.3	18%	0.183	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	37	-174.3	-53	-53.5	-166.7	-171.6	0	112.6	M215 L218 I219 F261 N262 R263 N264	M215-K266 PolarHBondContact N-O 3.15Å; L218-K266 WeakPolarHBondContact O-CD 3.46Å; L218-K266 WeakPolarHBondContact O-CE 3.38Å; L218-K266 PolarHBondContact O-NZ 3.4Å; I219-K266 PolarHBondContact O-NZ 2.91Å; F261-K266 HydrophobicContact CZ-CD 4.13Å; N262-K266 VanDerWaalsContact O-CA 3.26Å; N262-K266 WeakPolarHBondContact O-CA 3.17Å; N262-K266 PolarHBondContact O-N 2.81Å; R263-K266 VanDerWaalsContact O-CD 3.26Å; R263-K266 WeakPolarHBondContact O-CD 3.38Å; R263-K266 WeakPolarHBondContact O-CE 3.41Å; R263-K266 PolarHBondContact O-NZ 2.85Å; N264-K266 VanDerWaalsContact C-N 3.33Å
267	I	88.4	Confident	84.7	Confident	21 Å²	21	42.4 Å²	42.4	11%	0.108	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127	-178.7	-57	-178.7	0	0	0	109.2	R212 I213 I214 N262 T265	R212-I267 HydrophobicContact CB-CG2 4.05Å; I213-I267 CarbonylContact O-C 3.56Å; I213-I267 WeakPolarHBondContact O-CA 3.46Å; I214-I267 HydrophobicContact CG1-CG1 4.32Å; N262-I267 PolarHBondContact N-O 3.05Å; N262-I267 PolarHBondContact O-N 2.81Å; T265-I267 VanDerWaalsContact C-N 3.28Å; T265-I267 WeakPolarHBondContact O-CG1 3.44Å; T265-I267 PolarHBondContact O-N 2.9Å
268	L	92.4	Very high	82.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.8	164.9	174.9	69.4	0	0	0	108.8	I165 R212 I213 M215 L226 L235 A259 E260 F261 V270	I165-L268 HydrophobicContact CB-CD1 4.42Å; I165-L268 HydrophobicContact CD1-CD1 4.33Å; I165-L268 HydrophobicContact CG1-CD1 4.1Å; I165-L268 HydrophobicContact CG2-CD1 3.58Å; R212-L268 WeakPolarHBondContact CA-O 3.41Å; I213-L268 HydrophobicContact CB-CB 4.34Å; I213-L268 HydrophobicContact CD1-CD2 4.2Å; I213-L268 PolarHBondContact N-O 2.94Å; I213-L268 PolarHBondContact O-N 3.31Å; M215-L268 HydrophobicContact CE-CB 3.33Å; M215-L268 HydrophobicContact CE-CD2 3.97Å; M215-L268 HydrophobicContact CE-CG 4.23Å; L226-L268 HydrophobicContact CD1-CD2 4.44Å; L226-L268 HydrophobicContact CD2-CD2 4.41Å; L235-L268 HydrophobicContact CD1-CD2 3.88Å; L235-L268 HydrophobicContact CD2-CD2 4.41Å; A259-L268 HydrophobicContact CB-CD1 4.1Å; E260-L268 CarbonylContact O-C 3.55Å; E260-L268 WeakPolarHBondContact O-CA 3.36Å; F261-L268 HydrophobicContact CB-CD1 4.18Å; F261-L268 HydrophobicContact CD2-CB 4.06Å; L268-V270 HydrophobicContact CD2-CG2 4.18Å; L268-V270 HydrophobicContact CG-CG2 3.96Å
269	T	89.7	Confident	80.5	Confident	34 Å²	34	55.4 Å²	55.4	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.6	172.8	-58.3	0	0	0	0	108.6	V210 A211 R212 A259 E260	V210-T269 HydrophobicContact CG1-CG2 3.69Å; A211-T269 CarbonylContact O-C 3.59Å; A211-T269 WeakPolarHBondContact O-CA 3.23Å; R212-T269 HydrophobicContact CG-CG2 4.46Å; A259-T269 CarbonylContact C-O 3.55Å; A259-T269 VanDerWaalsContact CA-O 3.28Å; A259-T269 WeakPolarHBondContact CA-O 3.45Å; E260-T269 PolarHBondContact N-O 2.86Å; E260-T269 PolarHBondContact O-N 2.82Å
270	V	93.2	Very high	80.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.6	175.1	-167.7	0	0	0	0	108.2	V210 A211 I213 L226 L233 T257 V258 A259 L268 M272	V210-V270 CarbonylContact C-O 3.52Å; V210-V270 WeakPolarHBondContact CA-O 3.46Å; A211-V270 HydrophobicContact CB-CB 4.31Å; A211-V270 PolarHBondContact N-O 2.96Å; A211-V270 PolarHBondContact O-N 3.44Å; I213-V270 HydrophobicContact CD1-CG2 4.34Å; L226-V270 HydrophobicContact CD1-CG2 4.36Å; L226-V270 HydrophobicContact CD2-CG1 4.21Å; L226-V270 HydrophobicContact CD2-CG2 3.8Å; L233-V270 HydrophobicContact CD1-CG1 4.1Å; L233-V270 HydrophobicContact CD2-CB 4.46Å; L233-V270 HydrophobicContact CD2-CG2 4.34Å; T257-V270 HydrophobicContact CG2-CG1 3.64Å; V258-V270 CarbonylContact O-C 3.57Å; V258-V270 WeakPolarHBondContact O-CA 3.21Å; A259-V270 HydrophobicContact CB-CG1 4.43Å; A259-V270 HydrophobicContact CB-CG2 4.26Å; L268-V270 HydrophobicContact CD2-CG2 4.18Å; L268-V270 HydrophobicContact CG-CG2 3.96Å; V270-M272 HydrophobicContact CG1-CG 3.87Å; V270-M272 HydrophobicContact CG1-SD 4.2Å
271	T	89.5	Confident	79.9	Confident	40 Å²	40	58.1 Å²	58.1	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.8	179.6	-60	0	0	0	0	109	V210 T257 V258	V210-T271 HydrophobicContact CG2-CG2 4.23Å; T257-T271 WeakPolarHBondContact CA-O 3.29Å; T257-T271 WeakPolarHBondContact CG2-O 3.36Å; V258-T271 HydrophobicContact CG2-CG2 4.48Å; V258-T271 PolarHBondContact N-O 2.8Å; V258-T271 PolarHBondContact O-N 2.95Å
272	M	92	Very high	79.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	102.9	-171.7	-62	166.3	-73.8	0	0	109.6	C208 L209 A211 L233 L248 V252 T257 V270	C208-M272 CarbonylContact C-O 3.43Å; C208-M272 WeakPolarHBondContact CA-O 3.46Å; L209-M272 HydrophobicContact CB-CB 4.34Å; L209-M272 HydrophobicContact CB-CE 3.91Å; L209-M272 PolarHBondContact N-O 3.38Å; L209-M272 PolarHBondContact O-N 2.73Å; A211-M272 HydrophobicContact CB-CE 3.8Å; L233-M272 HydrophobicContact CD1-SD 4.32Å; L233-M272 HydrophobicContact CD2-CE 4.44Å; L233-M272 HydrophobicContact CD2-SD 4.42Å; L248-M272 HydrophobicContact CD1-SD 3.79Å; L248-M272 HydrophobicContact CD2-CE 4.2Å; L248-M272 HydrophobicContact CD2-SD 4.29Å; V252-M272 HydrophobicContact CB-CB 3.94Å; V252-M272 HydrophobicContact CG1-CB 3.73Å; V252-M272 HydrophobicContact CG2-CB 4.35Å; T257-M272 HydrophobicContact CG2-CB 4.38Å; T257-M272 HydrophobicContact CG2-CG 3.54Å; V270-M272 HydrophobicContact CG1-CG 3.87Å; V270-M272 HydrophobicContact CG1-SD 4.2Å
273	P	89.9	Confident	79.3	Confident	35 Å²	35	62.6 Å²	62.6	23%	0.227	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	142.3	173	-24.5	37.1	0	0	0	111	V252 N253 T256	V252-P273 CarbonylContact C-O 3.51Å; V252-P273 VanDerWaalsContact CA-O 3.23Å; V252-P273 WeakPolarHBondContact CA-O 3.16Å; V252-P273 WeakPolarHBondContact CB-O 3.15Å; N253-P273 PolarHBondContact N-O 2.56Å; T256-P273 WeakPolarHBondContact OG1-CG 3.38Å
274	V	90.9	Very high	79.3	Confident	32 Å²	32	63.1 Å²	63.1	19%	0.194	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-72.2	134.7	175.4	170.4	0	0	0	0	109.2	V206 R207 T250 L251 T276	V206-V274 HydrophobicContact CB-CG2 4.47Å; V206-V274 HydrophobicContact CG1-CG2 3.95Å; V206-V274 WeakPolarHBondContact O-CG2 3.32Å; R207-V274 WeakPolarHBondContact O-CB 3.42Å; R207-V274 PolarHBondContact O-N 3.34Å; T250-V274 HydrophobicContact CG2-CB 4.32Å; T250-V274 HydrophobicContact CG2-CG1 3.7Å; T250-V274 HydrophobicContact CG2-CG2 3.66Å; L251-V274 WeakPolarHBondContact O-CA 3.43Å; V274-T276 PolarHBondContact O-N 2.85Å; V274-T276 VanDerWaalsContact O-N 3.15Å
275	S	85.6	Confident	79.4	Confident	42 Å²	42	60.5 Å²	60.5	29%	0.294	39%	0.388	S	S	.	.			trans	-69.6	107.7	173.1	-81.9	0	0	0	0	109.3	L251 V252 N253 V277	L251-S275 PolarHBondContact O-N 3.14Å; V252-S275 PolarHBondContact O-OG 2.79Å; N253-S275 WeakPolarHBondContact CA-OG 3.23Å; N253-S275 PolarHBondContact N-OG 3.1Å; N253-S275 VanDerWaalsContact N-OG 3.14Å; S275-V277 PolarHBondContact O-N 2.84Å
276	T	71.3	Confident	78.9	Confident	120 Å²	120	59.3 Å²	59.3	74%	0.736	38%	0.382	S	S	*	.			trans	-70.9	121.1	163.4	52.4	0	0	0	0	107.4	V274 Q278	V274-T276 PolarHBondContact O-N 2.85Å; V274-T276 VanDerWaalsContact O-N 3.15Å; T276-Q278 PolarHBondContact O-N 3.22Å
277	V	55.8	Low	78.3	Confident	133 Å²	133	60.6 Å²	60.6	81%	0.806	40%	0.398	S	S	*	.			trans	-56.1	111.4	168.5	-171.8	0	0	0	0	106.1	S275 G279	S275-V277 PolarHBondContact O-N 2.84Å; V277-G279 VanDerWaalsContact C-N 3.26Å; V277-G279 PolarHBondContact O-N 3.21Å
278	Q	46.2	Very low	77.4	Confident	188 Å²	188	63.9 Å²	63.9	88%	0.879	42%	0.422	S	S	*	.			trans	-63.8	99	164.9	-81.2	177.2	-14.2	0	0	105.6	T276	T276-Q278 PolarHBondContact O-N 3.22Å
279	G	32.8	Very low	76.1	Confident	143 Å²	143	69.7 Å²	69.7	100%	1.474	46%	0.46	S	S	*	.			trans	-69.9	0	166	0	0	0	0	0	110.9	V277	V277-G279 VanDerWaalsContact C-N 3.26Å; V277-G279 PolarHBondContact O-N 3.21Å

Retrieved 279 of 279 residues in 428.7 ms (Link to these results)

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