A0A077ZQR8_TRITR Loading...

PGM PMM I domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQR8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 198 aa.

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(Predicted Aligned Error values between residue pairs)

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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	41	Very low	61.6	Low	90 Å²	90	56.5 Å²	56.5	44%	0.443	41%	0.405	S	S	.	.				0	140.5	0	-119	179.8	-78.8	0	0	110	K9 I111 E113	M1-K9 WeakPolarHBondContact O-CD 3.4Å; M1-K9 WeakPolarHBondContact O-CE 3.39Å; M1-K9 PolarHBondContact O-NZ 2.81Å; M1-I111 HydrophobicContact CE-CD1 3.46Å; M1-I111 VanDerWaalsContact CE-CD1 3.46Å; M1-I111 HydrophobicContact CE-CG1 3.56Å; M1-I111 HydrophobicContact SD-CD1 3.32Å; M1-I111 WeakPolarHBondContact SD-CD1 3.43Å; M1-I111 HydrophobicContact SD-CG1 3.79Å; M1-E113 WeakPolarHBondContact CE-O 3.4Å
2	D	44.1	Very low	64.4	Low	25 Å²	25	51.9 Å²	51.9	13%	0.134	37%	0.372	C	S	.	.			trans	-97.2	-28.8	-172.8	57.3	-3.3	0	0	0	113.5	G4 L5 A6 R103 L107	D2-G4 PolarHBondContact O-N 3.32Å; D2-L5 WeakPolarHBondContact O-CA 3.34Å; D2-L5 PolarHBondContact O-N 2.88Å; D2-A6 HydrophobicContact CB-CB 3.72Å; D2-A6 PolarHBondContact O-N 2.88Å; D2-R103 IonicContact OD2-CZ 2.72Å; D2-R103 VanDerWaalsContact OD2-CZ 3.3Å; D2-R103 IonicContact OD2-NE 3.57Å; D2-R103 PolarHBondContact OD2-NE 2.83Å; D2-R103 VanDerWaalsContact OD2-NE 3.16Å; D2-R103 IonicContact OD2-NH2 2.95Å; D2-R103 PolarHBondContact OD2-NH2 2.73Å; D2-L107 WeakPolarHBondContact OD1-CD1 3.35Å
3	G	46.2	Very low	66.9	Low	52 Å²	52	50.4 Å²	50.4	54%	0.536	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	21.6	177.8	0	0	0	0	0	113.7
4	G	51	Low	69.1	Low	36 Å²	36	47.9 Å²	47.9	37%	0.371	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-15.3	-169	0	0	0	0	0	115.7	D2	D2-G4 PolarHBondContact O-N 3.32Å
5	L	55.9	Low	71	Confident	53 Å²	53	44.7 Å²	44.7	28%	0.277	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-17.9	-175.7	-68.4	171.4	0	0	0	115.3	D2 G7 G8 K9 A12 L14 D66	D2-L5 WeakPolarHBondContact O-CA 3.34Å; D2-L5 PolarHBondContact O-N 2.88Å; L5-G7 PolarHBondContact O-N 2.69Å; L5-G8 VanDerWaalsContact O-CA 3.26Å; L5-G8 WeakPolarHBondContact O-CA 3.41Å; L5-G8 PolarHBondContact O-N 3.4Å; L5-K9 HydrophobicContact CB-CB 4.07Å; L5-K9 HydrophobicContact CD1-CB 4.45Å; L5-A12 HydrophobicContact CD1-CB 4.27Å; L5-L14 HydrophobicContact CD1-CD2 4.12Å; L5-D66 HydrophobicContact CD2-CB 4.24Å
6	A	65.7	Low	72.7	Confident	41 Å²	41	41.9 Å²	41.9	34%	0.339	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	57.7	-120.6	177.5	0	0	0	0	0	114.4	D2 K9	D2-A6 HydrophobicContact CB-CB 3.72Å; D2-A6 PolarHBondContact O-N 2.88Å; A6-K9 WeakPolarHBondContact O-CG 3.45Å; A6-K9 PolarHBondContact O-NZ 3.11Å
7	G	57.4	Low	74.1	Confident	65 Å²	65	39.5 Å²	39.5	67%	0.67	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-69.3	-23.9	170.9	0	0	0	0	0	112.3	L5 K9 Q10	L5-G7 PolarHBondContact O-N 2.69Å; G7-K9 PolarHBondContact O-N 2.72Å; G7-K9 VanDerWaalsContact O-N 3.16Å; G7-Q10 PolarHBondContact O-N 2.72Å
8	G	66.7	Low	75.3	Confident	42 Å²	42	37.3 Å²	37.3	43%	0.433	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-72.4	-1.6	-178.2	0	0	0	0	0	115.2	L5 Q10	L5-G8 VanDerWaalsContact O-CA 3.26Å; L5-G8 WeakPolarHBondContact O-CA 3.41Å; L5-G8 PolarHBondContact O-N 3.4Å; G8-Q10 VanDerWaalsContact C-N 3.34Å
9	K	74.8	Confident	76.1	Confident	48 Å²	48	37.1 Å²	37.1	21%	0.209	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-73.4	-28.4	172.5	66.5	-176.4	-178	-83.4	0	112.8	M1 L5 A6 G7 G11 A12 N38 G39	M1-K9 WeakPolarHBondContact O-CD 3.4Å; M1-K9 WeakPolarHBondContact O-CE 3.39Å; M1-K9 PolarHBondContact O-NZ 2.81Å; L5-K9 HydrophobicContact CB-CB 4.07Å; L5-K9 HydrophobicContact CD1-CB 4.45Å; A6-K9 WeakPolarHBondContact O-CG 3.45Å; A6-K9 PolarHBondContact O-NZ 3.11Å; G7-K9 PolarHBondContact O-N 2.72Å; G7-K9 VanDerWaalsContact O-N 3.16Å; K9-G11 PolarHBondContact O-N 3.39Å; K9-A12 WeakPolarHBondContact O-CB 3.43Å; K9-A12 PolarHBondContact O-N 2.94Å; K9-A12 VanDerWaalsContact O-N 3.13Å; K9-N38 HydrophobicContact CD-CB 4.11Å; K9-N38 WeakPolarHBondContact CD-O 3.39Å; K9-N38 WeakPolarHBondContact CG-O 3.42Å; K9-G39 CarbonylContact O-C 3.48Å
10	Q	84.6	Confident	76.8	Confident	125 Å²	125	37.4 Å²	37.4	58%	0.584	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	118.7	178	-164.7	72.2	26.1	0	0	108.1	G7 G8 A12 G39	G7-Q10 PolarHBondContact O-N 2.72Å; G8-Q10 VanDerWaalsContact C-N 3.34Å; Q10-A12 VanDerWaalsContact C-N 3.31Å; Q10-G39 WeakPolarHBondContact CA-O 3.18Å
11	G	90.6	Very high	77.5	Confident	44 Å²	44	37 Å²	37	45%	0.454	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-6.5	-175.9	0	0	0	0	0	114.5	K9 G39 S41	K9-G11 PolarHBondContact O-N 3.39Å; G11-G39 PolarHBondContact N-O 3.37Å; G11-S41 WeakPolarHBondContact O-CB 3.36Å; G11-S41 PolarHBondContact O-OG 2.81Å
12	A	94.6	Very high	79.8	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.017	26%	0.263	C	S	.	.			trans	-63.8	151.6	-175.1	0	0	0	0	0	113.2	L5 K9 Q10 V40 S41 T42 D66	L5-A12 HydrophobicContact CD1-CB 4.27Å; K9-A12 WeakPolarHBondContact O-CB 3.43Å; K9-A12 PolarHBondContact O-N 2.94Å; K9-A12 VanDerWaalsContact O-N 3.13Å; Q10-A12 VanDerWaalsContact C-N 3.31Å; A12-V40 VanDerWaalsContact O-CG1 3.29Å; A12-V40 WeakPolarHBondContact O-CG1 3.35Å; A12-S41 PolarHBondContact O-N 3.25Å; A12-S41 PolarHBondContact O-OG 3.3Å; A12-S41 VanDerWaalsContact O-OG 3.11Å; A12-T42 PolarHBondContact O-N 2.79Å; A12-D66 VanDerWaalsContact CA-OD2 3.23Å; A12-D66 WeakPolarHBondContact CA-OD2 3.5Å; A12-D66 HydrophobicContact CB-CB 4.2Å
13	T	97.3	Very high	81.9	Confident	32 Å²	32	42.7 Å²	42.7	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.1	167.9	-59.9	0	0	0	0	109.5	T42 M44 T65 D66	T13-T42 CarbonylContact C-O 3.53Å; T13-T42 VanDerWaalsContact CA-O 3.29Å; T13-T42 WeakPolarHBondContact CA-O 3.35Å; T13-T42 HydrophobicContact CG2-CG2 3.96Å; T13-M44 HydrophobicContact CG2-CG 4.28Å; T13-M44 HydrophobicContact CG2-SD 4.26Å; T13-T65 HydrophobicContact CG2-CG2 3.68Å; T13-T65 WeakPolarHBondContact O-CB 3.35Å; T13-D66 PolarHBondContact N-OD2 3.31Å; T13-D66 PolarHBondContact O-N 3.16Å
14	L	97.5	Very high	84.2	Confident	16 Å²	16	40.3 Å²	40.3	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.5	179.7	-65.2	179	0	0	0	111.7	L5 V40 T42 V43 M44	L5-L14 HydrophobicContact CD1-CD2 4.12Å; L14-V40 HydrophobicContact CD1-CG1 4.17Å; L14-V40 HydrophobicContact CD1-CG2 3.93Å; L14-V40 HydrophobicContact CG-CG1 4.17Å; L14-T42 PolarHBondContact N-O 3.49Å; L14-V43 CarbonylContact O-C 3.35Å; L14-V43 WeakPolarHBondContact O-CA 3.24Å; L14-M44 PolarHBondContact O-N 3.28Å
15	V	98.4	Very high	86.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.4	164.8	-178.8	0	0	0	0	109.6	M44 M51 I56 A59 I60 T65 G67 G68 I69	V15-M44 CarbonylContact C-O 3.47Å; V15-M44 WeakPolarHBondContact CA-O 3.38Å; V15-M44 HydrophobicContact CG2-CB 4.23Å; V15-M51 HydrophobicContact CG1-CE 3.92Å; V15-M51 HydrophobicContact CG1-SD 4.01Å; V15-I56 HydrophobicContact CB-CG2 4.43Å; V15-I56 HydrophobicContact CG1-CB 4.48Å; V15-I56 HydrophobicContact CG1-CG1 4.49Å; V15-I56 HydrophobicContact CG1-CG2 3.95Å; V15-A59 HydrophobicContact CG1-CB 4.17Å; V15-A59 HydrophobicContact CG2-CB 4.09Å; V15-I60 HydrophobicContact CB-CG1 3.9Å; V15-I60 HydrophobicContact CG2-CG1 3.74Å; V15-T65 HydrophobicContact CG2-CG2 3.78Å; V15-G67 PolarHBondContact N-O 2.83Å; V15-G68 CarbonylContact O-C 3.47Å; V15-G68 WeakPolarHBondContact O-CA 3.43Å; V15-I69 PolarHBondContact O-N 3.3Å
16	V	97.9	Very high	88	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.7	177	-176.3	0	0	0	0	109.2	I28 V31 V43 M44 I45 I69 I71	V16-I28 HydrophobicContact CG1-CG1 4.15Å; V16-I28 HydrophobicContact CG1-CG2 4.38Å; V16-V31 HydrophobicContact CG1-CG1 4.09Å; V16-V31 HydrophobicContact CG2-CG1 3.87Å; V16-V43 HydrophobicContact CB-CG1 4.18Å; V16-V43 HydrophobicContact CG2-CG1 3.64Å; V16-M44 PolarHBondContact N-O 2.98Å; V16-I45 HydrophobicContact CB-CG1 4.4Å; V16-I45 WeakPolarHBondContact O-CA 3.36Å; V16-I45 WeakPolarHBondContact O-CG2 3.37Å; V16-I69 WeakPolarHBondContact CA-O 3.41Å; V16-I69 HydrophobicContact CG1-CB 4.45Å; V16-I69 HydrophobicContact CG2-CB 4.3Å; V16-I71 HydrophobicContact CG1-CD1 4.38Å
17	G	96.3	Very high	89.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.5	-179.8	0	0	0	0	0	112.8	I69 V70 I71	G17-I69 PolarHBondContact N-O 3Å; G17-V70 WeakPolarHBondContact O-CA 3.22Å; G17-I71 PolarHBondContact O-N 3.22Å
18	S	94.9	Very high	91.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.2	178.6	77.4	0	0	0	0	112	G20 A24 G49 V50 M51 I71	S18-G20 PolarHBondContact O-N 2.76Å; S18-G20 PolarHBondContact OG-N 3.05Å; S18-A24 WeakPolarHBondContact OG-CB 3.47Å; S18-G49 WeakPolarHBondContact CB-O 3.32Å; S18-G49 PolarHBondContact N-O 3.47Å; S18-G49 PolarHBondContact OG-O 3.06Å; S18-V50 WeakPolarHBondContact O-CA 3.46Å; S18-M51 CarbonylContact C-O 3.53Å; S18-M51 PolarHBondContact O-N 3.24Å; S18-I71 VanDerWaalsContact CA-O 3.29Å; S18-I71 WeakPolarHBondContact CA-O 3.27Å
19	D	91.7	Very high	92.7	Very high	32 Å²	32	36.7 Å²	36.7	17%	0.171	21%	0.206	C	C	.	.			trans	-81	16.2	171.9	62.3	13.4	0	0	0	114	R21 I71 S72 G187	D19-R21 VanDerWaalsContact C-N 3.28Å; D19-R21 PolarHBondContact O-N 2.89Å; D19-R21 WeakPolarHBondContact OD1-CB 3.3Å; D19-R21 WeakPolarHBondContact OD1-CG 3.31Å; D19-R21 IonicContact OD1-CZ 3.7Å; D19-R21 PolarHBondContact OD1-N 3.44Å; D19-R21 IonicContact OD1-NE 3.16Å; D19-R21 PolarHBondContact OD1-NE 2.85Å; D19-R21 IonicContact OD1-NH2 2.8Å; D19-R21 IonicContact OD2-CZ 3.31Å; D19-R21 VanDerWaalsContact OD2-CZ 3.31Å; D19-R21 IonicContact OD2-NE 3.3Å; D19-R21 PolarHBondContact OD2-NE 3.07Å; D19-R21 VanDerWaalsContact OD2-NE 3.16Å; D19-R21 IonicContact OD2-NH2 2.65Å; D19-R21 PolarHBondContact OD2-NH2 2.82Å; D19-I71 PolarHBondContact N-O 3.06Å; D19-S72 WeakPolarHBondContact OD2-CA 3.37Å; D19-S72 WeakPolarHBondContact OD2-CB 3.29Å; D19-S72 PolarHBondContact OD2-OG 3.23Å; D19-G187 WeakPolarHBondContact O-CA 3.36Å; D19-G187 PolarHBondContact O-N 2.95Å
20	G	89.7	Confident	93.7	Very high	43 Å²	43	37.4 Å²	37.4	44%	0.443	21%	0.214	S	C	.	.	S	Bend	trans	76.7	6.7	177.4	0	0	0	0	0	114.9	S18	S18-G20 PolarHBondContact O-N 2.76Å; S18-G20 PolarHBondContact OG-N 3.05Å
21	R	91	Very high	94.3	Very high	29 Å²	29	32.3 Å²	32.3	11%	0.109	19%	0.192	C	C	.	.			trans	-60.6	159.4	178.3	67.7	-178.5	58.7	-129.1	-8.1	112.8	D19 F23 A24 L83	D19-R21 VanDerWaalsContact C-N 3.28Å; D19-R21 PolarHBondContact O-N 2.89Å; D19-R21 WeakPolarHBondContact OD1-CB 3.3Å; D19-R21 WeakPolarHBondContact OD1-CG 3.31Å; D19-R21 IonicContact OD1-CZ 3.7Å; D19-R21 PolarHBondContact OD1-N 3.44Å; D19-R21 IonicContact OD1-NE 3.16Å; D19-R21 PolarHBondContact OD1-NE 2.85Å; D19-R21 IonicContact OD1-NH2 2.8Å; D19-R21 IonicContact OD2-CZ 3.31Å; D19-R21 VanDerWaalsContact OD2-CZ 3.31Å; D19-R21 IonicContact OD2-NE 3.3Å; D19-R21 PolarHBondContact OD2-NE 3.07Å; D19-R21 VanDerWaalsContact OD2-NE 3.16Å; D19-R21 IonicContact OD2-NH2 2.65Å; D19-R21 PolarHBondContact OD2-NH2 2.82Å; R21-F23 PolarHBondContact O-N 2.86Å; R21-A24 HydrophobicContact CG-CB 4.32Å; R21-A24 WeakPolarHBondContact O-CB 3.29Å; R21-A24 PolarHBondContact O-N 3.45Å; R21-A24 VanDerWaalsContact O-N 3.1Å; R21-L83 PolarHBondContact NH1-O 2.81Å
22	Y	89.3	Confident	94.6	Very high	125 Å²	125	30.2 Å²	30.2	49%	0.49	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	139.4	174	-177.6	-98.5	0	0	0	111.7	A24 K80	Y22-A24 PolarHBondContact O-N 2.87Å; Y22-K80 HydrophobicContact CD1-CG 4.19Å; Y22-K80 HydrophobicContact CD2-CG 4.19Å; Y22-K80 HydrophobicContact CE1-CB 4.28Å; Y22-K80 HydrophobicContact CE1-CG 3.69Å; Y22-K80 HydrophobicContact CE2-CD 4.5Å; Y22-K80 HydrophobicContact CE2-CG 3.68Å; Y22-K80 HydrophobicContact CG-CG 4.42Å; Y22-K80 VanDerWaalsContact CZ-CG 3.41Å
23	F	89.3	Confident	94.6	Very high	110 Å²	110	33.4 Å²	33.4	48%	0.482	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-5	-179.9	-157.9	-118.3	0	0	0	116.1	R21 S25 S26 V27	R21-F23 PolarHBondContact O-N 2.86Å; F23-S25 PolarHBondContact O-N 3.15Å; F23-S26 PolarHBondContact O-N 3.47Å; F23-S26 VanDerWaalsContact O-N 3.14Å; F23-V27 HydrophobicContact CD1-CG2 3.58Å; F23-V27 HydrophobicContact CE1-CG2 3.9Å; F23-V27 WeakPolarHBondContact O-CG2 3.46Å; F23-V27 PolarHBondContact O-N 2.89Å; F23-V27 VanDerWaalsContact O-N 3.09Å
24	A	93	Very high	94.5	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-43.6	-176.2	0	0	0	0	0	113.6	S18 R21 Y22 S26 V27 I28 I71	S18-A24 WeakPolarHBondContact OG-CB 3.47Å; R21-A24 HydrophobicContact CG-CB 4.32Å; R21-A24 WeakPolarHBondContact O-CB 3.29Å; R21-A24 PolarHBondContact O-N 3.45Å; R21-A24 VanDerWaalsContact O-N 3.1Å; Y22-A24 PolarHBondContact O-N 2.87Å; A24-S26 VanDerWaalsContact C-N 3.3Å; A24-S26 PolarHBondContact O-N 3.08Å; A24-V27 WeakPolarHBondContact O-CB 3.41Å; A24-V27 PolarHBondContact O-N 3.22Å; A24-V27 VanDerWaalsContact O-N 3.11Å; A24-I28 WeakPolarHBondContact O-CG1 3.23Å; A24-I28 PolarHBondContact O-N 3.28Å; A24-I71 HydrophobicContact CB-CG2 4.25Å
25	S	92.7	Very high	94.4	Very high	64 Å²	64	34.5 Å²	34.5	45%	0.448	19%	0.187	S	C	.	.	H	α-helix	trans	-60.9	-37.7	179	-49.1	0	0	0	0	112.4	F23 I28 Q29	F23-S25 PolarHBondContact O-N 3.15Å; S25-I28 PolarHBondContact O-N 3.2Å; S25-Q29 WeakPolarHBondContact O-CG 3.39Å; S25-Q29 PolarHBondContact O-N 3.11Å
26	S	94.1	Very high	94.2	Very high	58 Å²	58	34.6 Å²	34.6	41%	0.406	19%	0.188	S	C	.	.	H	α-helix	trans	-68.7	-36.5	175.3	-57.1	0	0	0	0	112.4	F23 A24 Q29 T30	F23-S26 PolarHBondContact O-N 3.47Å; F23-S26 VanDerWaalsContact O-N 3.14Å; A24-S26 VanDerWaalsContact C-N 3.3Å; A24-S26 PolarHBondContact O-N 3.08Å; S26-Q29 PolarHBondContact O-N 2.91Å; S26-T30 PolarHBondContact O-N 3.31Å; S26-T30 VanDerWaalsContact O-N 3.08Å; S26-T30 PolarHBondContact O-OG1 3.1Å
27	V	95.4	Very high	94	Very high	14 Å²	14	36.1 Å²	36.1	9%	0.085	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-43.1	173.1	177.8	0	0	0	0	110.2	F23 A24 Q29 T30 V31 I71 I86	F23-V27 HydrophobicContact CD1-CG2 3.58Å; F23-V27 HydrophobicContact CE1-CG2 3.9Å; F23-V27 WeakPolarHBondContact O-CG2 3.46Å; F23-V27 PolarHBondContact O-N 2.89Å; F23-V27 VanDerWaalsContact O-N 3.09Å; A24-V27 WeakPolarHBondContact O-CB 3.41Å; A24-V27 PolarHBondContact O-N 3.22Å; A24-V27 VanDerWaalsContact O-N 3.11Å; V27-Q29 PolarHBondContact O-N 3.23Å; V27-T30 WeakPolarHBondContact O-CA 3.29Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 2.74Å; V27-T30 VanDerWaalsContact O-N 3.1Å; V27-V31 HydrophobicContact CG1-CG2 4.38Å; V27-V31 WeakPolarHBondContact O-CG2 3.36Å; V27-V31 PolarHBondContact O-N 2.89Å; V27-I71 HydrophobicContact CB-CD1 4.12Å; V27-I71 HydrophobicContact CG1-CD1 3.69Å; V27-I71 HydrophobicContact CG1-CG1 3.91Å; V27-I71 HydrophobicContact CG1-CG2 4.34Å; V27-I86 HydrophobicContact CG1-CD1 4.27Å
28	I	96.8	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-45.6	176.1	-68.3	171.5	0	0	0	110.9	V16 A24 S25 T30 V31 I32 I45 G49 I71 L124	V16-I28 HydrophobicContact CG1-CG1 4.15Å; V16-I28 HydrophobicContact CG1-CG2 4.38Å; A24-I28 WeakPolarHBondContact O-CG1 3.23Å; A24-I28 PolarHBondContact O-N 3.28Å; S25-I28 PolarHBondContact O-N 3.2Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.13Å; I28-V31 PolarHBondContact O-N 2.84Å; I28-I32 HydrophobicContact CG2-CD1 3.91Å; I28-I32 HydrophobicContact CG2-CG1 4.4Å; I28-I32 VanDerWaalsContact O-CG1 3.3Å; I28-I32 WeakPolarHBondContact O-CG1 3.26Å; I28-I32 PolarHBondContact O-N 3.14Å; I28-I45 HydrophobicContact CG2-CD1 3.96Å; I28-I45 HydrophobicContact CG2-CG2 4.4Å; I28-G49 WeakPolarHBondContact CD1-O 3.33Å; I28-I71 HydrophobicContact CB-CD1 4.44Å; I28-I71 HydrophobicContact CD1-CD1 4.24Å; I28-I71 HydrophobicContact CG1-CD1 3.33Å; I28-L124 HydrophobicContact CB-CD1 4.23Å; I28-L124 HydrophobicContact CG2-CD1 3.79Å; I28-L124 HydrophobicContact CG2-CD2 4.19Å
29	Q	96.6	Very high	93.7	Very high	25 Å²	25	38 Å²	38	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-44.6	174.5	-66.3	-66.3	-16.8	0	0	111.3	S25 S26 V27 V31 I32 R33 V122	S25-Q29 WeakPolarHBondContact O-CG 3.39Å; S25-Q29 PolarHBondContact O-N 3.11Å; S26-Q29 PolarHBondContact O-N 2.91Å; V27-Q29 PolarHBondContact O-N 3.23Å; Q29-V31 PolarHBondContact O-N 2.86Å; Q29-I32 PolarHBondContact O-N 2.64Å; Q29-R33 VanDerWaalsContact O-CG 3.27Å; Q29-R33 WeakPolarHBondContact O-CG 3.13Å; Q29-R33 PolarHBondContact O-N 2.76Å; Q29-V122 PolarHBondContact NE2-O 2.91Å; Q29-V122 VanDerWaalsContact OE1-N 3.14Å
30	T	96.5	Very high	93.9	Very high	62 Å²	62	36.9 Å²	36.9	38%	0.38	21%	0.209	S	C	.	.	H	α-helix	trans	-61.3	-44.3	177.2	-57.6	0	0	0	0	111.9	S26 V27 I28 I32 R33 I34	S26-T30 PolarHBondContact O-N 3.31Å; S26-T30 VanDerWaalsContact O-N 3.08Å; S26-T30 PolarHBondContact O-OG1 3.1Å; V27-T30 WeakPolarHBondContact O-CA 3.29Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 2.74Å; V27-T30 VanDerWaalsContact O-N 3.1Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.13Å; T30-I32 VanDerWaalsContact C-N 3.35Å; T30-I32 PolarHBondContact O-N 3.38Å; T30-R33 PolarHBondContact O-N 2.93Å; T30-I34 HydrophobicContact CG2-CD1 3.9Å; T30-I34 WeakPolarHBondContact O-CG1 3.37Å; T30-I34 PolarHBondContact O-N 3.16Å
31	V	96.6	Very high	94.2	Very high	19 Å²	19	36.7 Å²	36.7	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-45.7	175.9	169.6	0	0	0	0	110.7	V16 V27 I28 Q29 R33 I34 A35 I69	V16-V31 HydrophobicContact CG1-CG1 4.09Å; V16-V31 HydrophobicContact CG2-CG1 3.87Å; V27-V31 HydrophobicContact CG1-CG2 4.38Å; V27-V31 WeakPolarHBondContact O-CG2 3.36Å; V27-V31 PolarHBondContact O-N 2.89Å; I28-V31 PolarHBondContact O-N 2.84Å; Q29-V31 PolarHBondContact O-N 2.86Å; V31-R33 PolarHBondContact O-N 2.97Å; V31-I34 PolarHBondContact O-N 2.79Å; V31-A35 VanDerWaalsContact O-CB 3.24Å; V31-A35 WeakPolarHBondContact O-CB 3.38Å; V31-A35 PolarHBondContact O-N 3.31Å; V31-I69 HydrophobicContact CG1-CD1 3.6Å; V31-I69 HydrophobicContact CG2-CG2 4.44Å
32	I	96.6	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-45.9	176.9	-68.7	166.9	0	0	0	111	I28 Q29 T30 I34 A35 A36 V43 I45 L120 V122 L124 M140 I142	I28-I32 HydrophobicContact CG2-CD1 3.91Å; I28-I32 HydrophobicContact CG2-CG1 4.4Å; I28-I32 VanDerWaalsContact O-CG1 3.3Å; I28-I32 WeakPolarHBondContact O-CG1 3.26Å; I28-I32 PolarHBondContact O-N 3.14Å; Q29-I32 PolarHBondContact O-N 2.64Å; T30-I32 VanDerWaalsContact C-N 3.35Å; T30-I32 PolarHBondContact O-N 3.38Å; I32-I34 VanDerWaalsContact C-N 3.34Å; I32-I34 PolarHBondContact O-N 2.9Å; I32-A35 PolarHBondContact O-N 3.25Å; I32-A36 VanDerWaalsContact O-CB 3.31Å; I32-A36 WeakPolarHBondContact O-CB 3.3Å; I32-A36 PolarHBondContact O-N 3.01Å; I32-V43 HydrophobicContact CG1-CG1 4.48Å; I32-I45 HydrophobicContact CD1-CD1 3.55Å; I32-I45 HydrophobicContact CG1-CD1 4.04Å; I32-L120 HydrophobicContact CG2-CD2 3.84Å; I32-L120 HydrophobicContact CG2-CG 4.46Å; I32-V122 HydrophobicContact CD1-CB 4.23Å; I32-V122 HydrophobicContact CD1-CG2 4.34Å; I32-V122 HydrophobicContact CG2-CG2 3.95Å; I32-L124 HydrophobicContact CD1-CD2 4.12Å; I32-M140 HydrophobicContact CG2-CE 3.87Å; I32-I142 HydrophobicContact CG2-CD1 3.88Å
33	R	96	Very high	94.9	Very high	68 Å²	68	29.8 Å²	29.8	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-63.3	-39.5	179.7	-65.3	175.2	-165.2	153.3	3.9	112.7	Q29 T30 V31 A37 T116 C117 L120	Q29-R33 VanDerWaalsContact O-CG 3.27Å; Q29-R33 WeakPolarHBondContact O-CG 3.13Å; Q29-R33 PolarHBondContact O-N 2.76Å; T30-R33 PolarHBondContact O-N 2.93Å; V31-R33 PolarHBondContact O-N 2.97Å; R33-A37 WeakPolarHBondContact O-CB 3.27Å; R33-A37 PolarHBondContact O-N 2.75Å; R33-T116 WeakPolarHBondContact CB-OG1 3.41Å; R33-C117 WeakPolarHBondContact CD-O 3.34Å; R33-C117 WeakPolarHBondContact CG-O 3.36Å; R33-C117 PolarHBondContact O-N 3.18Å; R33-L120 HydrophobicContact CG-CB 4.13Å; R33-L120 PolarHBondContact NE-O 2.68Å
34	I	95.5	Very high	95.3	Very high	61 Å²	61	25 Å²	25	31%	0.313	15%	0.154	S	C	.	.	H	α-helix	trans	-71.6	-44.1	177.5	-67	171.9	0	0	0	110	T30 V31 I32 A36 A37 N38	T30-I34 HydrophobicContact CG2-CD1 3.9Å; T30-I34 WeakPolarHBondContact O-CG1 3.37Å; T30-I34 PolarHBondContact O-N 3.16Å; V31-I34 PolarHBondContact O-N 2.79Å; I32-I34 VanDerWaalsContact C-N 3.34Å; I32-I34 PolarHBondContact O-N 2.9Å; I34-A36 VanDerWaalsContact C-N 3.35Å; I34-A36 PolarHBondContact O-N 3.47Å; I34-A37 PolarHBondContact O-N 2.83Å; I34-N38 WeakPolarHBondContact O-CB 3.3Å; I34-N38 PolarHBondContact O-N 2.83Å; I34-N38 VanDerWaalsContact O-N 3.1Å; I34-N38 PolarHBondContact O-ND2 2.99Å
35	A	95	Very high	95.6	Very high	10 Å²	10	24.9 Å²	24.9	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-57.8	-47.1	176.8	0	0	0	0	0	111.5	V31 I32 A37 N38 G39 V40 V43	V31-A35 VanDerWaalsContact O-CB 3.24Å; V31-A35 WeakPolarHBondContact O-CB 3.38Å; V31-A35 PolarHBondContact O-N 3.31Å; I32-A35 PolarHBondContact O-N 3.25Å; A35-A37 PolarHBondContact O-N 3.44Å; A35-N38 CarbonylContact O-C 3.58Å; A35-N38 PolarHBondContact O-N 3.26Å; A35-N38 VanDerWaalsContact O-N 3.11Å; A35-G39 PolarHBondContact O-N 3.47Å; A35-V40 HydrophobicContact CB-CB 3.94Å; A35-V40 HydrophobicContact CB-CG1 4.32Å; A35-V40 HydrophobicContact CB-CG2 3.84Å; A35-V40 WeakPolarHBondContact O-CB 3.27Å; A35-V40 PolarHBondContact O-N 3.28Å; A35-V40 VanDerWaalsContact O-N 3.15Å; A35-V43 HydrophobicContact CB-CG2 4.21Å
36	A	94.3	Very high	95.7	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.025	13%	0.132	C	C	.	.	H	α-helix	trans	-53.6	-54.7	174.7	0	0	0	0	0	111.4	I32 I34 N38 G39 C117 L120 V134 M140	I32-A36 VanDerWaalsContact O-CB 3.31Å; I32-A36 WeakPolarHBondContact O-CB 3.3Å; I32-A36 PolarHBondContact O-N 3.01Å; I34-A36 VanDerWaalsContact C-N 3.35Å; I34-A36 PolarHBondContact O-N 3.47Å; A36-N38 PolarHBondContact O-N 2.8Å; A36-N38 VanDerWaalsContact O-N 3.08Å; A36-G39 PolarHBondContact O-N 2.95Å; A36-G39 VanDerWaalsContact O-N 3.14Å; A36-C117 HydrophobicContact CB-CB 4.38Å; A36-L120 HydrophobicContact CB-CD2 3.76Å; A36-V134 HydrophobicContact CB-CG1 4.44Å; A36-V134 HydrophobicContact CB-CG2 3.89Å; A36-V134 WeakPolarHBondContact O-CG1 3.42Å; A36-M140 HydrophobicContact CB-CE 3.46Å; A36-M140 VanDerWaalsContact CB-CE 3.46Å; A36-M140 HydrophobicContact CB-SD 4.02Å
37	A	93.1	Very high	95.8	Very high	31 Å²	31	21.2 Å²	21.2	26%	0.256	12%	0.123	S	C	.	.	H	α-helix	trans	-67	-11.7	-177.7	0	0	0	0	0	114	R33 I34 A35 Y115 T116	R33-A37 WeakPolarHBondContact O-CB 3.27Å; R33-A37 PolarHBondContact O-N 2.75Å; I34-A37 PolarHBondContact O-N 2.83Å; A35-A37 PolarHBondContact O-N 3.44Å; A37-Y115 VanDerWaalsContact CB-C 3.44Å; A37-T116 VanDerWaalsContact CB-CA 3.46Å; A37-T116 VanDerWaalsContact CB-N 3.33Å
38	N	92.8	Very high	95.7	Very high	25 Å²	25	25.4 Å²	25.4	13%	0.134	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.2	179.6	-78.7	-88.7	0	0	0	113.1	K9 I34 A35 A36 Y115	K9-N38 HydrophobicContact CD-CB 4.11Å; K9-N38 WeakPolarHBondContact CD-O 3.39Å; K9-N38 WeakPolarHBondContact CG-O 3.42Å; I34-N38 WeakPolarHBondContact O-CB 3.3Å; I34-N38 PolarHBondContact O-N 2.83Å; I34-N38 VanDerWaalsContact O-N 3.1Å; I34-N38 PolarHBondContact O-ND2 2.99Å; A35-N38 CarbonylContact O-C 3.58Å; A35-N38 PolarHBondContact O-N 3.26Å; A35-N38 VanDerWaalsContact O-N 3.11Å; A36-N38 PolarHBondContact O-N 2.8Å; A36-N38 VanDerWaalsContact O-N 3.08Å; N38-Y115 PolarHBondContact ND2-O 2.84Å
39	G	92.7	Very high	95.7	Very high	17 Å²	17	25.4 Å²	25.4	18%	0.175	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	14.3	169.6	0	0	0	0	0	116.2	K9 Q10 G11 A35 A36 S41	K9-G39 CarbonylContact O-C 3.48Å; Q10-G39 WeakPolarHBondContact CA-O 3.18Å; G11-G39 PolarHBondContact N-O 3.37Å; A35-G39 PolarHBondContact O-N 3.47Å; A36-G39 PolarHBondContact O-N 2.95Å; A36-G39 VanDerWaalsContact O-N 3.14Å; G39-S41 PolarHBondContact O-N 3.45Å
40	V	95	Very high	95.5	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.048	14%	0.142	C	C	.	.			trans	-62.2	128.7	171.4	176.1	0	0	0	0	108.6	A12 L14 A35 T42 V43 M140	A12-V40 VanDerWaalsContact O-CG1 3.29Å; A12-V40 WeakPolarHBondContact O-CG1 3.35Å; L14-V40 HydrophobicContact CD1-CG1 4.17Å; L14-V40 HydrophobicContact CD1-CG2 3.93Å; L14-V40 HydrophobicContact CG-CG1 4.17Å; A35-V40 HydrophobicContact CB-CB 3.94Å; A35-V40 HydrophobicContact CB-CG1 4.32Å; A35-V40 HydrophobicContact CB-CG2 3.84Å; A35-V40 WeakPolarHBondContact O-CB 3.27Å; A35-V40 PolarHBondContact O-N 3.28Å; A35-V40 VanDerWaalsContact O-N 3.15Å; V40-T42 WeakPolarHBondContact CG1-O 3.34Å; V40-V43 HydrophobicContact CG1-CG2 3.89Å; V40-M140 VanDerWaalsContact O-CG 3.3Å; V40-M140 WeakPolarHBondContact O-CG 3.29Å
41	S	95.3	Very high	95.4	Very high	38 Å²	38	22.7 Å²	22.7	27%	0.266	12%	0.124	S	C	.	.			trans	-82.4	-35.7	-176.7	70.9	0	0	0	0	112.5	G11 A12 G39 M140 R141	G11-S41 WeakPolarHBondContact O-CB 3.36Å; G11-S41 PolarHBondContact O-OG 2.81Å; A12-S41 PolarHBondContact O-N 3.25Å; A12-S41 PolarHBondContact O-OG 3.3Å; A12-S41 VanDerWaalsContact O-OG 3.11Å; G39-S41 PolarHBondContact O-N 3.45Å; S41-M140 CarbonylContact O-C 3.54Å; S41-M140 WeakPolarHBondContact O-CA 3.45Å; S41-R141 PolarHBondContact O-N 3.2Å
42	T	97.6	Very high	95.3	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.055	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.8	-173.7	-55.8	0	0	0	0	111	A12 T13 L14 V40 M44 R141 I143	A12-T42 PolarHBondContact O-N 2.79Å; T13-T42 CarbonylContact C-O 3.53Å; T13-T42 VanDerWaalsContact CA-O 3.29Å; T13-T42 WeakPolarHBondContact CA-O 3.35Å; T13-T42 HydrophobicContact CG2-CG2 3.96Å; L14-T42 PolarHBondContact N-O 3.49Å; V40-T42 WeakPolarHBondContact CG1-O 3.34Å; T42-M44 HydrophobicContact CG2-CG 4.22Å; T42-R141 CarbonylContact C-O 3.58Å; T42-R141 VanDerWaalsContact CA-O 3.27Å; T42-R141 WeakPolarHBondContact CA-O 3.49Å; T42-R141 HydrophobicContact CG2-CB 4.21Å; T42-I143 HydrophobicContact CG2-CD1 3.79Å; T42-I143 HydrophobicContact CG2-CG1 4.21Å
43	V	98.1	Very high	95.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.5	169.4	-177.4	0	0	0	0	109.1	L14 V16 I32 A35 V40 I45 M140 R141 I142 I143	L14-V43 CarbonylContact O-C 3.35Å; L14-V43 WeakPolarHBondContact O-CA 3.24Å; V16-V43 HydrophobicContact CB-CG1 4.18Å; V16-V43 HydrophobicContact CG2-CG1 3.64Å; I32-V43 HydrophobicContact CG1-CG1 4.48Å; A35-V43 HydrophobicContact CB-CG2 4.21Å; V40-V43 HydrophobicContact CG1-CG2 3.89Å; V43-I45 HydrophobicContact CG1-CD1 3.89Å; V43-I45 HydrophobicContact CG1-CG1 3.75Å; V43-M140 HydrophobicContact CG2-SD 3.88Å; V43-R141 PolarHBondContact N-O 3.42Å; V43-I142 HydrophobicContact CB-CD1 3.77Å; V43-I142 HydrophobicContact CG2-CD1 4.19Å; V43-I142 CarbonylContact O-C 3.6Å; V43-I142 WeakPolarHBondContact O-CA 3.14Å; V43-I143 PolarHBondContact O-N 3.27Å
44	M	98.5	Very high	95	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.049	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.3	176.7	-56.4	-173.4	65.2	0	0	110.1	T13 L14 V15 V16 T42 H63 T65 I143 F145	T13-M44 HydrophobicContact CG2-CG 4.28Å; T13-M44 HydrophobicContact CG2-SD 4.26Å; L14-M44 PolarHBondContact O-N 3.28Å; V15-M44 CarbonylContact C-O 3.47Å; V15-M44 WeakPolarHBondContact CA-O 3.38Å; V15-M44 HydrophobicContact CG2-CB 4.23Å; V16-M44 PolarHBondContact N-O 2.98Å; T42-M44 HydrophobicContact CG2-CG 4.22Å; M44-H63 HydrophobicContact CE-CB 4.26Å; M44-H63 WeakPolarHBondContact CE-CD2 3.37Å; M44-H63 HydrophobicContact SD-CB 3.85Å; M44-T65 HydrophobicContact SD-CG2 4.07Å; M44-I143 CarbonylContact C-O 3.57Å; M44-I143 WeakPolarHBondContact CA-O 3.39Å; M44-I143 HydrophobicContact CE-CG2 4.42Å; M44-I143 HydrophobicContact CG-CB 4.26Å; M44-I143 HydrophobicContact CG-CD1 4.34Å; M44-F145 HydrophobicContact CB-CE1 4.05Å; M44-F145 HydrophobicContact CE-CE1 4.36Å
45	I	97.9	Very high	95	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.7	-171.9	-45.8	-179.7	0	0	0	109.6	V16 I28 I32 V43 L124 I142 I143 V144 F145	V16-I45 HydrophobicContact CB-CG1 4.4Å; V16-I45 WeakPolarHBondContact O-CA 3.36Å; V16-I45 WeakPolarHBondContact O-CG2 3.37Å; I28-I45 HydrophobicContact CG2-CD1 3.96Å; I28-I45 HydrophobicContact CG2-CG2 4.4Å; I32-I45 HydrophobicContact CD1-CD1 3.55Å; I32-I45 HydrophobicContact CG1-CD1 4.04Å; V43-I45 HydrophobicContact CG1-CD1 3.89Å; V43-I45 HydrophobicContact CG1-CG1 3.75Å; I45-L124 HydrophobicContact CD1-CD2 3.87Å; I45-L124 HydrophobicContact CG2-CD2 4.49Å; I45-I142 HydrophobicContact CD1-CG2 4.01Å; I45-I143 PolarHBondContact N-O 2.91Å; I45-V144 CarbonylContact O-C 3.6Å; I45-V144 VanDerWaalsContact O-CA 3.27Å; I45-V144 WeakPolarHBondContact O-CA 3.11Å; I45-F145 WeakPolarHBondContact O-CD1 3.03Å; I45-F145 PolarHBondContact O-N 3.3Å
46	G	95.9	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	148.9	166.6	0	0	0	0	0	111.4	F48 G49 M51 F145	G46-F48 PolarHBondContact O-N 2.97Å; G46-G49 VanDerWaalsContact O-CA 3.31Å; G46-G49 WeakPolarHBondContact O-CA 2.72Å; G46-G49 PolarHBondContact O-N 3.11Å; G46-M51 PolarHBondContact N-SD 2.98Å; G46-F145 CarbonylContact C-O 3.59Å; G46-F145 WeakPolarHBondContact CA-O 3.5Å
47	Q	95.1	Very high	95.3	Very high	45 Å²	45	23.5 Å²	23.5	21%	0.21	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	139.1	176.5	-160.9	-177	12.3	0	0	111.2	G49 V50 N125 V127 V144 F145	Q47-G49 PolarHBondContact O-N 2.83Å; Q47-V50 PolarHBondContact O-N 3.35Å; Q47-V50 VanDerWaalsContact O-N 3.1Å; Q47-N125 PolarHBondContact NE2-O 3.34Å; Q47-V127 HydrophobicContact CB-CG2 4.33Å; Q47-V127 HydrophobicContact CG-CG2 4.14Å; Q47-V144 HydrophobicContact CB-CG1 4.34Å; Q47-V144 HydrophobicContact CG-CG1 4.44Å; Q47-F145 PolarHBondContact N-O 3.45Å
48	F	94.7	Very high	95.5	Very high	102 Å²	102	23.2 Å²	23.2	45%	0.447	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.6	6.4	-172.4	-53.3	-76.5	0	0	0	115.4	G46 V50 L124 N125	G46-F48 PolarHBondContact O-N 2.97Å; F48-V50 VanDerWaalsContact C-N 3.3Å; F48-V50 HydrophobicContact CB-CG2 4.28Å; F48-L124 PolarHBondContact N-O 3.41Å; F48-N125 HydrophobicContact CD1-CB 3.81Å; F48-N125 HydrophobicContact CE1-CB 3.39Å; F48-N125 HydrophobicContact CZ-CB 4.17Å
49	G	95.1	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.7	12.5	-172.4	0	0	0	0	0	113.9	S18 I28 G46 Q47	S18-G49 WeakPolarHBondContact CB-O 3.32Å; S18-G49 PolarHBondContact N-O 3.47Å; S18-G49 PolarHBondContact OG-O 3.06Å; I28-G49 WeakPolarHBondContact CD1-O 3.33Å; G46-G49 VanDerWaalsContact O-CA 3.31Å; G46-G49 WeakPolarHBondContact O-CA 2.72Å; G46-G49 PolarHBondContact O-N 3.11Å; Q47-G49 PolarHBondContact O-N 2.83Å
50	V	93.5	Very high	95.9	Very high	26 Å²	26	21.4 Å²	21.4	16%	0.158	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.6	-176.1	-177	0	0	0	0	110.1	S18 Q47 F48 S147	S18-V50 WeakPolarHBondContact O-CA 3.46Å; Q47-V50 PolarHBondContact O-N 3.35Å; Q47-V50 VanDerWaalsContact O-N 3.1Å; F48-V50 VanDerWaalsContact C-N 3.3Å; F48-V50 HydrophobicContact CB-CG2 4.28Å; V50-S147 PolarHBondContact O-OG 3.46Å
51	M	95	Very high	96.1	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	15%	0.15	C	C	.	.			trans	-150.7	137.6	175	-58.5	-177.3	70.6	0	0	109.7	V15 S18 G46 A55 I56 A59 F145	V15-M51 HydrophobicContact CG1-CE 3.92Å; V15-M51 HydrophobicContact CG1-SD 4.01Å; S18-M51 CarbonylContact C-O 3.53Å; S18-M51 PolarHBondContact O-N 3.24Å; G46-M51 PolarHBondContact N-SD 2.98Å; M51-A55 HydrophobicContact CE-CB 4.49Å; M51-I56 HydrophobicContact CB-CD1 3.99Å; M51-I56 HydrophobicContact CB-CG1 3.57Å; M51-I56 HydrophobicContact CE-CB 4.47Å; M51-I56 HydrophobicContact CE-CG1 3.84Å; M51-I56 HydrophobicContact CG-CG1 4.35Å; M51-I56 HydrophobicContact SD-CG1 3.91Å; M51-A59 HydrophobicContact CE-CB 4.17Å; M51-F145 HydrophobicContact CE-CE1 4.33Å; M51-F145 HydrophobicContact CE-CE2 4.14Å; M51-F145 HydrophobicContact CE-CZ 3.48Å; M51-F145 VanDerWaalsContact CE-CZ 3.48Å; M51-F145 HydrophobicContact SD-CZ 4.24Å
52	T	92.7	Very high	96.1	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.049	16%	0.163	C	C	.	.			trans	-74.2	153.8	169.3	66.7	0	0	0	0	109.9	P54 A55 I56 N188 V191	T52-P54 VanDerWaalsContact C-N 3.31Å; T52-A55 PolarHBondContact O-N 2.71Å; T52-A55 WeakPolarHBondContact OG1-CB 3.45Å; T52-A55 PolarHBondContact OG1-N 3.16Å; T52-I56 WeakPolarHBondContact O-CG1 3.34Å; T52-I56 PolarHBondContact O-N 3.42Å; T52-N188 WeakPolarHBondContact CG2-OD1 3.18Å; T52-V191 HydrophobicContact CG2-CB 4.43Å; T52-V191 HydrophobicContact CG2-CG2 3.61Å
53	T	93.3	Very high	96.1	Very high	73 Å²	73	36.2 Å²	36.2	45%	0.448	18%	0.183	S	C	.	.	H	α-helix	trans	-54.8	-41.5	176.2	-49.2	0	0	0	0	112.7	A55 I56 S57	T53-A55 PolarHBondContact O-N 2.8Å; T53-I56 PolarHBondContact O-N 3.04Å; T53-S57 PolarHBondContact O-N 2.87Å
54	P	94.3	Very high	96	Very high	64 Å²	64	46.9 Å²	46.9	42%	0.416	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-40.3	172.6	-25.5	36.6	0	0	0	113.6	T52 I56 S57 L58 Y151	T52-P54 VanDerWaalsContact C-N 3.31Å; P54-I56 VanDerWaalsContact C-N 3.34Å; P54-I56 PolarHBondContact O-N 2.71Å; P54-S57 PolarHBondContact O-N 3.01Å; P54-L58 WeakPolarHBondContact O-CB 3.44Å; P54-L58 PolarHBondContact O-N 3.07Å; P54-Y151 HydrophobicContact CB-CE2 3.61Å
55	A	95.6	Very high	96	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-35.2	177	0	0	0	0	0	112.5	M51 T52 T53 A59 Y151	M51-A55 HydrophobicContact CE-CB 4.49Å; T52-A55 PolarHBondContact O-N 2.71Å; T52-A55 WeakPolarHBondContact OG1-CB 3.45Å; T52-A55 PolarHBondContact OG1-N 3.16Å; T53-A55 PolarHBondContact O-N 2.8Å; A55-A59 WeakPolarHBondContact O-CB 3.42Å; A55-A59 PolarHBondContact O-N 2.82Å; A55-Y151 HydrophobicContact CB-CD2 4.11Å; A55-Y151 HydrophobicContact CB-CG 4.34Å
56	I	96.8	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-48	172.6	-65.2	170.5	0	0	0	110.3	V15 M51 T52 T53 P54 L58 A59 I60 V70	V15-I56 HydrophobicContact CB-CG2 4.43Å; V15-I56 HydrophobicContact CG1-CB 4.48Å; V15-I56 HydrophobicContact CG1-CG1 4.49Å; V15-I56 HydrophobicContact CG1-CG2 3.95Å; M51-I56 HydrophobicContact CB-CD1 3.99Å; M51-I56 HydrophobicContact CB-CG1 3.57Å; M51-I56 HydrophobicContact CE-CB 4.47Å; M51-I56 HydrophobicContact CE-CG1 3.84Å; M51-I56 HydrophobicContact CG-CG1 4.35Å; M51-I56 HydrophobicContact SD-CG1 3.91Å; T52-I56 WeakPolarHBondContact O-CG1 3.34Å; T52-I56 PolarHBondContact O-N 3.42Å; T53-I56 PolarHBondContact O-N 3.04Å; P54-I56 VanDerWaalsContact C-N 3.34Å; P54-I56 PolarHBondContact O-N 2.71Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 3.36Å; I56-A59 PolarHBondContact O-N 3.08Å; I56-I60 HydrophobicContact CG2-CD1 3.86Å; I56-I60 HydrophobicContact CG2-CG1 4.45Å; I56-I60 VanDerWaalsContact O-CG1 3.29Å; I56-I60 WeakPolarHBondContact O-CG1 3.48Å; I56-I60 PolarHBondContact O-N 3.39Å; I56-V70 HydrophobicContact CD1-CB 4.19Å; I56-V70 HydrophobicContact CD1-CG1 3.89Å; I56-V70 HydrophobicContact CD1-CG2 3.75Å; I56-V70 HydrophobicContact CG2-CG2 4.1Å
57	S	97.2	Very high	95.9	Very high	30 Å²	30	49.9 Å²	49.9	21%	0.21	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-44.5	177.7	-172.3	0	0	0	0	112	T53 P54 I60 R61 G93	T53-S57 PolarHBondContact O-N 2.87Å; P54-S57 PolarHBondContact O-N 3.01Å; S57-I60 PolarHBondContact O-N 3.08Å; S57-R61 WeakPolarHBondContact O-CG 3.28Å; S57-R61 PolarHBondContact O-N 2.84Å; S57-R61 VanDerWaalsContact O-N 3.15Å; S57-G93 VanDerWaalsContact CB-O 3.29Å; S57-G93 WeakPolarHBondContact CB-O 3.23Å; S57-G93 PolarHBondContact OG-O 2.87Å
58	L	97.5	Very high	96	Very high	24 Å²	24	47.8 Å²	47.8	13%	0.126	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-51.2	175.3	179.3	66.2	0	0	0	111.3	P54 I56 I60 R61 D62 Y151 C154	P54-L58 WeakPolarHBondContact O-CB 3.44Å; P54-L58 PolarHBondContact O-N 3.07Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 3.36Å; L58-I60 VanDerWaalsContact C-N 3.3Å; L58-I60 PolarHBondContact O-N 2.92Å; L58-R61 PolarHBondContact O-N 3.1Å; L58-D62 VanDerWaalsContact CD1-OD2 3.27Å; L58-D62 WeakPolarHBondContact CD1-OD2 3.39Å; L58-D62 WeakPolarHBondContact CG-OD2 3.41Å; L58-D62 WeakPolarHBondContact O-CB 3.46Å; L58-D62 PolarHBondContact O-N 3.19Å; L58-Y151 HydrophobicContact CD2-CD2 3.93Å; L58-C154 HydrophobicContact CD1-CB 4.12Å; L58-C154 HydrophobicContact CD2-CB 3.53Å; L58-C154 HydrophobicContact CG-CB 4.48Å
59	A	97.8	Very high	96.1	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-39	-179.4	0	0	0	0	0	112.5	V15 M51 A55 I56 R61 H63 F145	V15-A59 HydrophobicContact CG1-CB 4.17Å; V15-A59 HydrophobicContact CG2-CB 4.09Å; M51-A59 HydrophobicContact CE-CB 4.17Å; A55-A59 WeakPolarHBondContact O-CB 3.42Å; A55-A59 PolarHBondContact O-N 2.82Å; I56-A59 PolarHBondContact O-N 3.08Å; A59-R61 VanDerWaalsContact C-N 3.33Å; A59-R61 PolarHBondContact O-N 3.03Å; A59-H63 WeakPolarHBondContact O-CB 3.31Å; A59-H63 PolarHBondContact O-CD2 3.1Å; A59-H63 VanDerWaalsContact O-CD2 3.28Å; A59-H63 PolarHBondContact O-N 2.85Å; A59-H63 VanDerWaalsContact O-N 3.11Å; A59-F145 HydrophobicContact CB-CE2 4.49Å; A59-F145 HydrophobicContact CB-CZ 3.91Å
60	I	98	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-46.7	174.4	-69.3	166.3	0	0	0	110.5	V15 I56 S57 L58 R64 T65 C89 S91	V15-I60 HydrophobicContact CB-CG1 3.9Å; V15-I60 HydrophobicContact CG2-CG1 3.74Å; I56-I60 HydrophobicContact CG2-CD1 3.86Å; I56-I60 HydrophobicContact CG2-CG1 4.45Å; I56-I60 VanDerWaalsContact O-CG1 3.29Å; I56-I60 WeakPolarHBondContact O-CG1 3.48Å; I56-I60 PolarHBondContact O-N 3.39Å; S57-I60 PolarHBondContact O-N 3.08Å; L58-I60 VanDerWaalsContact C-N 3.3Å; L58-I60 PolarHBondContact O-N 2.92Å; I60-R64 CarbonylContact O-C 3.53Å; I60-R64 VanDerWaalsContact O-CA 3.28Å; I60-R64 WeakPolarHBondContact O-CA 3.42Å; I60-R64 PolarHBondContact O-N 3.08Å; I60-T65 WeakPolarHBondContact CA-OG1 3.39Å; I60-T65 PolarHBondContact O-N 3.45Å; I60-C89 HydrophobicContact CD1-CB 3.47Å; I60-C89 VanDerWaalsContact CD1-CB 3.47Å; I60-S91 WeakPolarHBondContact CG2-O 3Å
61	R	97.7	Very high	96.2	Very high	164 Å²	164	43.3 Å²	43.3	62%	0.619	21%	0.209	S	C	*	.	H	α-helix	trans	-72.1	-45.7	-176.3	-69.5	171.2	59.6	164.7	0.4	112.6	S57 L58 A59 R64	S57-R61 WeakPolarHBondContact O-CG 3.28Å; S57-R61 PolarHBondContact O-N 2.84Å; S57-R61 VanDerWaalsContact O-N 3.15Å; L58-R61 PolarHBondContact O-N 3.1Å; A59-R61 VanDerWaalsContact C-N 3.33Å; A59-R61 PolarHBondContact O-N 3.03Å; R61-R64 PolarHBondContact O-N 3.44Å
62	D	96.6	Very high	96.1	Very high	101 Å²	101	43.6 Å²	43.6	54%	0.54	21%	0.212	S	C	.	.	H	α-helix	trans	-67.3	-38.8	-176.6	-74.8	-2	0	0	0	111.7	L58	L58-D62 VanDerWaalsContact CD1-OD2 3.27Å; L58-D62 WeakPolarHBondContact CD1-OD2 3.39Å; L58-D62 WeakPolarHBondContact CG-OD2 3.41Å; L58-D62 WeakPolarHBondContact O-CB 3.46Å; L58-D62 PolarHBondContact O-N 3.19Å
63	H	97	Very high	96	Very high	101 Å²	101	44 Å²	44	47%	0.468	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.2	179.1	-61.1	-71.6	0	0	0	113.7	M44 A59 T65	M44-H63 HydrophobicContact CE-CB 4.26Å; M44-H63 WeakPolarHBondContact CE-CD2 3.37Å; M44-H63 HydrophobicContact SD-CB 3.85Å; A59-H63 WeakPolarHBondContact O-CB 3.31Å; A59-H63 PolarHBondContact O-CD2 3.1Å; A59-H63 VanDerWaalsContact O-CD2 3.28Å; A59-H63 PolarHBondContact O-N 2.85Å; A59-H63 VanDerWaalsContact O-N 3.11Å; H63-T65 VanDerWaalsContact C-N 3.27Å; H63-T65 HydrophobicContact CB-CG2 3.76Å; H63-T65 PolarHBondContact O-N 3.36Å
64	R	96.7	Very high	95.6	Very high	224 Å²	224	42.6 Å²	42.6	85%	0.845	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	47.7	-179.1	-55.5	-179.6	-175.7	-173.3	0.6	112.2	I60 R61	I60-R64 CarbonylContact O-C 3.53Å; I60-R64 VanDerWaalsContact O-CA 3.28Å; I60-R64 WeakPolarHBondContact O-CA 3.42Å; I60-R64 PolarHBondContact O-N 3.08Å; R61-R64 PolarHBondContact O-N 3.44Å
65	T	96.8	Very high	95.1	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	24%	0.242	C	C	.	.			trans	-76.4	165.5	-179.1	79.3	0	0	0	0	110.8	T13 V15 M44 I60 H63 G67 S91	T13-T65 HydrophobicContact CG2-CG2 3.68Å; T13-T65 WeakPolarHBondContact O-CB 3.35Å; V15-T65 HydrophobicContact CG2-CG2 3.78Å; M44-T65 HydrophobicContact SD-CG2 4.07Å; I60-T65 WeakPolarHBondContact CA-OG1 3.39Å; I60-T65 PolarHBondContact O-N 3.45Å; H63-T65 VanDerWaalsContact C-N 3.27Å; H63-T65 HydrophobicContact CB-CG2 3.76Å; H63-T65 PolarHBondContact O-N 3.36Å; T65-G67 PolarHBondContact O-N 2.91Å; T65-G67 PolarHBondContact OG1-N 2.86Å; T65-G67 PolarHBondContact OG1-O 3.04Å; T65-G67 VanDerWaalsContact OG1-O 3.06Å; T65-S91 WeakPolarHBondContact O-CB 3.4Å
66	D	96.3	Very high	94.6	Very high	68 Å²	68	59.6 Å²	59.6	36%	0.364	27%	0.271	S	S	.	.	S	Bend	trans	-76	-4.7	-179.9	-59.7	-80.2	0	0	0	113.1	L5 A12 T13	L5-D66 HydrophobicContact CD2-CB 4.24Å; A12-D66 VanDerWaalsContact CA-OD2 3.23Å; A12-D66 WeakPolarHBondContact CA-OD2 3.5Å; A12-D66 HydrophobicContact CB-CB 4.2Å; T13-D66 PolarHBondContact N-OD2 3.31Å; T13-D66 PolarHBondContact O-N 3.16Å
67	G	96.2	Very high	93.9	Very high	2 Å²	2	66.8 Å²	66.8	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.9	-160.3	178.2	0	0	0	0	0	112.2	V15 T65 C89	V15-G67 PolarHBondContact N-O 2.83Å; T65-G67 PolarHBondContact O-N 2.91Å; T65-G67 PolarHBondContact OG1-N 2.86Å; T65-G67 PolarHBondContact OG1-O 3.04Å; T65-G67 VanDerWaalsContact OG1-O 3.06Å; G67-C89 CarbonylContact C-O 3.54Å; G67-C89 VanDerWaalsContact CA-O 3.23Å; G67-C89 WeakPolarHBondContact CA-O 3.33Å
68	G	96.9	Very high	93.3	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	164.2	177.6	0	0	0	0	0	116	V15 L88 C89	V15-G68 CarbonylContact O-C 3.47Å; V15-G68 WeakPolarHBondContact O-CA 3.43Å; G68-L88 CarbonylContact O-C 3.59Å; G68-L88 WeakPolarHBondContact O-CA 3.47Å; G68-C89 PolarHBondContact N-O 3.44Å; G68-C89 PolarHBondContact O-N 3.03Å
69	I	97	Very high	92.7	Very high	30 Å²	30	67.7 Å²	67.7	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.6	179.2	-62.8	172.8	0	0	0	108.3	V15 V16 G17 V31 I86 L88	V15-I69 PolarHBondContact O-N 3.3Å; V16-I69 WeakPolarHBondContact CA-O 3.41Å; V16-I69 HydrophobicContact CG1-CB 4.45Å; V16-I69 HydrophobicContact CG2-CB 4.3Å; G17-I69 PolarHBondContact N-O 3Å; V31-I69 HydrophobicContact CG1-CD1 3.6Å; V31-I69 HydrophobicContact CG2-CG2 4.44Å; I69-I86 HydrophobicContact CG2-CG2 3.69Å; I69-L88 HydrophobicContact CG1-CD1 4.31Å
70	V	96.1	Very high	92.1	Very high	3 Å²	3	75.7 Å²	75.7	2%	0.018	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.7	179.9	-171.7	0	0	0	0	109.6	G17 I56 S72 I86 K87	G17-V70 WeakPolarHBondContact O-CA 3.22Å; I56-V70 HydrophobicContact CD1-CB 4.19Å; I56-V70 HydrophobicContact CD1-CG1 3.89Å; I56-V70 HydrophobicContact CD1-CG2 3.75Å; I56-V70 HydrophobicContact CG2-CG2 4.1Å; V70-S72 PolarHBondContact O-N 3.46Å; V70-I86 CarbonylContact O-C 3.58Å; V70-I86 WeakPolarHBondContact O-CA 3.43Å; V70-K87 HydrophobicContact CB-CB 4.25Å; V70-K87 PolarHBondContact N-O 3.3Å; V70-K87 PolarHBondContact O-N 2.8Å
71	I	95.4	Very high	91.6	Very high	1 Å²	1	85.3 Å²	85.3	1%	0.005	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	96	177.2	-59.6	152.6	0	0	0	108.1	V16 G17 S18 D19 A24 V27 I28 G85	V16-I71 HydrophobicContact CG1-CD1 4.38Å; G17-I71 PolarHBondContact O-N 3.22Å; S18-I71 VanDerWaalsContact CA-O 3.29Å; S18-I71 WeakPolarHBondContact CA-O 3.27Å; D19-I71 PolarHBondContact N-O 3.06Å; A24-I71 HydrophobicContact CB-CG2 4.25Å; V27-I71 HydrophobicContact CB-CD1 4.12Å; V27-I71 HydrophobicContact CG1-CD1 3.69Å; V27-I71 HydrophobicContact CG1-CG1 3.91Å; V27-I71 HydrophobicContact CG1-CG2 4.34Å; I28-I71 HydrophobicContact CB-CD1 4.44Å; I28-I71 HydrophobicContact CD1-CD1 4.24Å; I28-I71 HydrophobicContact CG1-CD1 3.33Å; I71-G85 CarbonylContact C-O 3.49Å; I71-G85 WeakPolarHBondContact CA-O 3.44Å
72	S	92.5	Very high	91	Very high	9 Å²	9	78.8 Å²	78.8	6%	0.063	39%	0.391	C	S	.	.			trans	-160.8	149.2	-177.7	-179.5	0	0	0	0	111.1	D19 V70 G74 G85	D19-S72 WeakPolarHBondContact OD2-CA 3.37Å; D19-S72 WeakPolarHBondContact OD2-CB 3.29Å; D19-S72 PolarHBondContact OD2-OG 3.23Å; V70-S72 PolarHBondContact O-N 3.46Å; S72-G74 PolarHBondContact OG-N 3.3Å; S72-G74 VanDerWaalsContact OG-N 3.09Å; S72-G85 PolarHBondContact N-O 3.21Å; S72-G85 CarbonylContact O-C 3.3Å; S72-G85 VanDerWaalsContact O-C 3.3Å; S72-G85 VanDerWaalsContact O-CA 3.27Å; S72-G85 WeakPolarHBondContact O-CA 3.4Å
73	A	90.6	Very high	90.6	Very high	18 Å²	18	78.4 Å²	78.4	15%	0.149	39%	0.389	C	S	.	.			trans	-112.5	24.4	169.1	0	0	0	0	0	112.3	R75 R76 L83	A73-R75 PolarHBondContact O-N 3.08Å; A73-R76 HydrophobicContact CB-CB 4.07Å; A73-R76 WeakPolarHBondContact O-CB 3.46Å; A73-R76 PolarHBondContact O-N 3.37Å; A73-L83 HydrophobicContact CB-CB 4.3Å
74	G	85.2	Confident	90.2	Very high	42 Å²	42	79.2 Å²	79.2	43%	0.433	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-126.2	179.8	0	0	0	0	0	111.8	S72 R76	S72-G74 PolarHBondContact OG-N 3.3Å; S72-G74 VanDerWaalsContact OG-N 3.09Å; G74-R76 VanDerWaalsContact C-N 3.25Å; G74-R76 PolarHBondContact O-N 3.34Å
75	R	83.7	Confident	89.9	Confident	258 Å²	258	69.5 Å²	69.5	97%	0.974	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-0.7	-177.7	-64	-173.7	-73.4	-175.7	-2.7	114.5	A73	A73-R75 PolarHBondContact O-N 3.08Å
76	R	84.8	Confident	89.8	Confident	168 Å²	168	74.2 Å²	74.2	63%	0.634	39%	0.385	S	S	*	.	S	Bend	trans	-78.9	140.2	-178.9	-62.5	176.5	173.4	-162.9	0.9	110.6	A73 G74 G78 L83	A73-R76 HydrophobicContact CB-CB 4.07Å; A73-R76 WeakPolarHBondContact O-CB 3.46Å; A73-R76 PolarHBondContact O-N 3.37Å; G74-R76 VanDerWaalsContact C-N 3.25Å; G74-R76 PolarHBondContact O-N 3.34Å; R76-G78 PolarHBondContact O-N 2.97Å; R76-L83 HydrophobicContact CB-CD1 4.26Å; R76-L83 HydrophobicContact CG-CD1 4.42Å
77	L	83.1	Confident	89.7	Confident	150 Å²	150	76 Å²	76	79%	0.785	39%	0.389	S	S	*	.			trans	-57.2	133.2	179.2	-63.6	175.1	0	0	0	111.2	G82 L83	L77-G82 WeakPolarHBondContact O-CA 2.9Å; L77-L83 PolarHBondContact O-N 3.42Å
78	G	83.6	Confident	89.7	Confident	40 Å²	40	77.9 Å²	77.9	41%	0.412	40%	0.399	S	S	.	.			trans	-90.7	-169.9	169.4	0	0	0	0	0	111.9	R76	R76-G78 PolarHBondContact O-N 2.97Å
79	G	84.2	Confident	89.6	Confident	33 Å²	33	78.2 Å²	78.2	34%	0.34	40%	0.401	S	S	.	.	S	Bend	trans	113.4	179.6	179.4	0	0	0	0	0	112.9	Q81 G82	G79-Q81 PolarHBondContact O-N 3.27Å; G79-G82 PolarHBondContact O-N 2.97Å
80	K	86.3	Confident	89.5	Confident	174 Å²	174	78.7 Å²	78.7	76%	0.757	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.6	-178.3	-77.4	-178.7	178	-178	0	113.7	Y22	Y22-K80 HydrophobicContact CD1-CG 4.19Å; Y22-K80 HydrophobicContact CD2-CG 4.19Å; Y22-K80 HydrophobicContact CE1-CB 4.28Å; Y22-K80 HydrophobicContact CE1-CG 3.69Å; Y22-K80 HydrophobicContact CE2-CD 4.5Å; Y22-K80 HydrophobicContact CE2-CG 3.68Å; Y22-K80 HydrophobicContact CG-CG 4.42Å; Y22-K80 VanDerWaalsContact CZ-CG 3.41Å
81	Q	87.7	Confident	89.4	Confident	201 Å²	201	82.3 Å²	82.3	94%	0.939	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	9.6	174.8	-60.7	-167.6	-0.8	0	0	112.3	G79	G79-Q81 PolarHBondContact O-N 3.27Å
82	G	85.4	Confident	89.4	Confident	28 Å²	28	87.3 Å²	87.3	29%	0.289	46%	0.455	S	S	.	.	S	Bend	trans	-83.1	179.3	177.5	0	0	0	0	0	111.7	L77 G79	L77-G82 WeakPolarHBondContact O-CA 2.9Å; G79-G82 PolarHBondContact O-N 2.97Å
83	L	87.4	Confident	89.5	Confident	92 Å²	92	87.1 Å²	87.1	48%	0.482	46%	0.455	S	S	.	.			trans	-92.5	149.4	177.8	-63.8	171.9	0	0	0	110.3	R21 A73 R76 L77	R21-L83 PolarHBondContact NH1-O 2.81Å; A73-L83 HydrophobicContact CB-CB 4.3Å; R76-L83 HydrophobicContact CB-CD1 4.26Å; R76-L83 HydrophobicContact CG-CD1 4.42Å; L77-L83 PolarHBondContact O-N 3.42Å
84	F	87.8	Confident	89.7	Confident	119 Å²	119	87.1 Å²	87.1	52%	0.522	46%	0.456	S	S	.	.			trans	-122	157.5	159.5	76.6	-83.9	0	0	0	108.7	I86	F84-I86 HydrophobicContact CD2-CG1 4.48Å; F84-I86 HydrophobicContact CE2-CD1 4.37Å; F84-I86 HydrophobicContact CE2-CG1 4.43Å
85	G	91.8	Very high	90.2	Very high	20 Å²	20	90.4 Å²	90.4	21%	0.206	47%	0.47	C	S	.	.			trans	-140.5	154.9	176.7	0	0	0	0	0	109.3	I71 S72	I71-G85 CarbonylContact C-O 3.49Å; I71-G85 WeakPolarHBondContact CA-O 3.44Å; S72-G85 PolarHBondContact N-O 3.21Å; S72-G85 CarbonylContact O-C 3.3Å; S72-G85 VanDerWaalsContact O-C 3.3Å; S72-G85 VanDerWaalsContact O-CA 3.27Å; S72-G85 WeakPolarHBondContact O-CA 3.4Å
86	I	94.5	Very high	90.7	Very high	102 Å²	102	78.5 Å²	78.5	52%	0.523	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.8	174.3	-59.5	176.4	0	0	0	106.3	V27 I69 V70 F84	V27-I86 HydrophobicContact CG1-CD1 4.27Å; I69-I86 HydrophobicContact CG2-CG2 3.69Å; V70-I86 CarbonylContact O-C 3.58Å; V70-I86 WeakPolarHBondContact O-CA 3.43Å; F84-I86 HydrophobicContact CD2-CG1 4.48Å; F84-I86 HydrophobicContact CE2-CD1 4.37Å; F84-I86 HydrophobicContact CE2-CG1 4.43Å
87	K	94.1	Very high	91.1	Very high	105 Å²	105	74.1 Å²	74.1	46%	0.457	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.5	176	-51.4	176.4	-177.5	178.5	0	109.1	V70	V70-K87 HydrophobicContact CB-CB 4.25Å; V70-K87 PolarHBondContact N-O 3.3Å; V70-K87 PolarHBondContact O-N 2.8Å
88	L	95	Very high	91.6	Very high	42 Å²	42	73.2 Å²	73.2	22%	0.22	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.9	174	-164.3	86.8	0	0	0	109.5	G68 I69 L90 A96 V100 I104	G68-L88 CarbonylContact O-C 3.59Å; G68-L88 WeakPolarHBondContact O-CA 3.47Å; I69-L88 HydrophobicContact CG1-CD1 4.31Å; L88-L90 HydrophobicContact CD2-CD2 4.04Å; L88-A96 HydrophobicContact CB-CB 3.91Å; L88-A96 HydrophobicContact CD2-CB 4.1Å; L88-A96 HydrophobicContact CG-CB 4.49Å; L88-A96 PolarHBondContact O-N 2.9Å; L88-V100 HydrophobicContact CD2-CG1 3.83Å; L88-I104 HydrophobicContact CD2-CD1 4.18Å
89	C	95	Very high	92.1	Very high	8 Å²	8	77.7 Å²	77.7	5%	0.054	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.9	163.8	-74	0	0	0	0	109.1	I60 G67 G68 G94	I60-C89 HydrophobicContact CD1-CB 3.47Å; I60-C89 VanDerWaalsContact CD1-CB 3.47Å; G67-C89 CarbonylContact C-O 3.54Å; G67-C89 VanDerWaalsContact CA-O 3.23Å; G67-C89 WeakPolarHBondContact CA-O 3.33Å; G68-C89 PolarHBondContact N-O 3.44Å; G68-C89 PolarHBondContact O-N 3.03Å; C89-G94 CarbonylContact C-O 3.53Å; C89-G94 WeakPolarHBondContact CA-O 3.27Å; C89-G94 WeakPolarHBondContact CB-O 3.45Å
90	L	94.8	Very high	92.5	Very high	40 Å²	40	77.6 Å²	77.6	21%	0.209	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	171.8	177	-55.7	178.5	0	0	0	110.7	L88 N92 G93 G94 A96 V100	L88-L90 HydrophobicContact CD2-CD2 4.04Å; L90-N92 PolarHBondContact O-N 3.07Å; L90-N92 VanDerWaalsContact O-N 3.1Å; L90-G93 WeakPolarHBondContact O-CA 3.39Å; L90-G93 PolarHBondContact O-N 3.44Å; L90-G94 PolarHBondContact N-O 2.67Å; L90-A96 HydrophobicContact CD2-CB 4.12Å; L90-A96 HydrophobicContact CG-CB 4.38Å; L90-V100 HydrophobicContact CD2-CG1 4.33Å; L90-V100 HydrophobicContact CD2-CG2 4.23Å
91	S	94.9	Very high	92.8	Very high	78 Å²	78	72.6 Å²	72.6	55%	0.545	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.9	-179.8	56.1	0	0	0	0	114.6	I60 T65 G93	I60-S91 WeakPolarHBondContact CG2-O 3Å; T65-S91 WeakPolarHBondContact O-CB 3.4Å; S91-G93 PolarHBondContact O-N 2.88Å
92	N	94.6	Very high	93.1	Very high	106 Å²	106	66.2 Å²	66.2	57%	0.567	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.5	171.7	69	-4.6	0	0	0	113.6	L90 G94	L90-N92 PolarHBondContact O-N 3.07Å; L90-N92 VanDerWaalsContact O-N 3.1Å; N92-G94 PolarHBondContact O-N 3.15Å; N92-G94 WeakPolarHBondContact OD1-CA 3.45Å; N92-G94 PolarHBondContact OD1-N 3.33Å
93	G	95	Very high	93.5	Very high	5 Å²	5	71.5 Å²	71.5	5%	0.052	39%	0.388	C	S	.	.	S	Bend	trans	77.6	-0.6	-175.5	0	0	0	0	0	114.4	S57 L90 S91	S57-G93 VanDerWaalsContact CB-O 3.29Å; S57-G93 WeakPolarHBondContact CB-O 3.23Å; S57-G93 PolarHBondContact OG-O 2.87Å; L90-G93 WeakPolarHBondContact O-CA 3.39Å; L90-G93 PolarHBondContact O-N 3.44Å; S91-G93 PolarHBondContact O-N 2.88Å
94	G	95.8	Very high	93.8	Very high	18 Å²	18	69.5 Å²	69.5	19%	0.186	38%	0.378	C	S	.	.	S	Bend	trans	-84.5	168.4	176.8	0	0	0	0	0	112.8	C89 L90 N92	C89-G94 CarbonylContact C-O 3.53Å; C89-G94 WeakPolarHBondContact CA-O 3.27Å; C89-G94 WeakPolarHBondContact CB-O 3.45Å; L90-G94 PolarHBondContact N-O 2.67Å; N92-G94 PolarHBondContact O-N 3.15Å; N92-G94 WeakPolarHBondContact OD1-CA 3.45Å; N92-G94 PolarHBondContact OD1-N 3.33Å
95	P	95.3	Very high	94.2	Very high	111 Å²	111	70 Å²	70	72%	0.721	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-65.1	151.2	173.1	30.2	-34.8	0	0	0	111.1	D97	P95-D97 PolarHBondContact O-N 3.31Å
96	A	94.1	Very high	94.5	Very high	9 Å²	9	74.1 Å²	74.1	7%	0.074	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-57.4	133.9	168.9	0	0	0	0	0	111.4	L88 L90 V100 N101	L88-A96 HydrophobicContact CB-CB 3.91Å; L88-A96 HydrophobicContact CD2-CB 4.1Å; L88-A96 HydrophobicContact CG-CB 4.49Å; L88-A96 PolarHBondContact O-N 2.9Å; L90-A96 HydrophobicContact CD2-CB 4.12Å; L90-A96 HydrophobicContact CG-CB 4.38Å; A96-V100 HydrophobicContact CB-CB 4.18Å; A96-V100 HydrophobicContact CB-CG1 3.93Å; A96-N101 PolarHBondContact O-ND2 3.09Å
97	D	92.6	Very high	94.4	Very high	75 Å²	75	71.9 Å²	71.9	40%	0.401	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-72.6	171.3	175.9	64.1	34.6	0	0	0	111.9	P95 I99 V100 N101	P95-D97 PolarHBondContact O-N 3.31Å; D97-I99 PolarHBondContact O-N 3.01Å; D97-I99 WeakPolarHBondContact OD1-CA 3.48Å; D97-I99 WeakPolarHBondContact OD1-CB 3.3Å; D97-I99 PolarHBondContact OD1-N 2.84Å; D97-V100 PolarHBondContact O-N 3.06Å; D97-V100 WeakPolarHBondContact OD1-CG2 3.44Å; D97-V100 PolarHBondContact OD1-N 2.88Å; D97-N101 WeakPolarHBondContact O-CB 3.34Å; D97-N101 VanDerWaalsContact O-CG 3.3Å; D97-N101 PolarHBondContact O-N 3.19Å; D97-N101 PolarHBondContact O-ND2 3.38Å; D97-N101 VanDerWaalsContact O-ND2 3.09Å
98	D	93.5	Very high	94.5	Very high	131 Å²	131	70.9 Å²	70.9	70%	0.701	38%	0.383	S	S	*	.	H	α-helix	trans	-63.8	-27	-178	-69	-26.4	0	0	0	112.9	S102	D98-S102 WeakPolarHBondContact O-CB 3.46Å; D98-S102 PolarHBondContact O-N 2.77Å; D98-S102 PolarHBondContact O-OG 3.37Å
99	I	93.5	Very high	94.6	Very high	135 Å²	135	74.7 Å²	74.7	69%	0.692	40%	0.397	S	S	*	.	H	α-helix	trans	-68.5	-50.2	177.8	-64.9	164.9	0	0	0	109.3	D97 S102 R103	D97-I99 PolarHBondContact O-N 3.01Å; D97-I99 WeakPolarHBondContact OD1-CA 3.48Å; D97-I99 WeakPolarHBondContact OD1-CB 3.3Å; D97-I99 PolarHBondContact OD1-N 2.84Å; I99-S102 PolarHBondContact O-N 2.95Å; I99-R103 WeakPolarHBondContact O-CB 3.43Å; I99-R103 PolarHBondContact O-N 3.1Å
100	V	92.5	Very high	94.6	Very high	30 Å²	30	78.7 Å²	78.7	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-63.3	-46.4	177.1	174.3	0	0	0	0	110.5	L88 L90 A96 D97 S102 R103 I104	L88-V100 HydrophobicContact CD2-CG1 3.83Å; L90-V100 HydrophobicContact CD2-CG1 4.33Å; L90-V100 HydrophobicContact CD2-CG2 4.23Å; A96-V100 HydrophobicContact CB-CB 4.18Å; A96-V100 HydrophobicContact CB-CG1 3.93Å; D97-V100 PolarHBondContact O-N 3.06Å; D97-V100 WeakPolarHBondContact OD1-CG2 3.44Å; D97-V100 PolarHBondContact OD1-N 2.88Å; V100-S102 PolarHBondContact O-N 2.9Å; V100-R103 PolarHBondContact O-N 3.31Å; V100-I104 HydrophobicContact CG1-CD1 3.86Å; V100-I104 WeakPolarHBondContact O-CG1 3.48Å; V100-I104 PolarHBondContact O-N 3.14Å
101	N	92.8	Very high	94.6	Very high	69 Å²	69	80.9 Å²	80.9	37%	0.369	43%	0.433	S	S	.	.	H	α-helix	trans	-61.8	-43.2	178.9	-71.9	-37.3	0	0	0	112	A96 D97 I104 Y105	A96-N101 PolarHBondContact O-ND2 3.09Å; D97-N101 WeakPolarHBondContact O-CB 3.34Å; D97-N101 VanDerWaalsContact O-CG 3.3Å; D97-N101 PolarHBondContact O-N 3.19Å; D97-N101 PolarHBondContact O-ND2 3.38Å; D97-N101 VanDerWaalsContact O-ND2 3.09Å; N101-I104 PolarHBondContact O-N 3.33Å; N101-Y105 WeakPolarHBondContact O-CB 3.44Å; N101-Y105 PolarHBondContact O-N 3.1Å
102	S	95.2	Very high	94.7	Very high	68 Å²	68	87.2 Å²	87.2	48%	0.476	45%	0.451	S	S	.	.	H	α-helix	trans	-63.9	-41.6	177.2	-64.9	0	0	0	0	111.5	D98 I99 V100 Y105 Q106	D98-S102 WeakPolarHBondContact O-CB 3.46Å; D98-S102 PolarHBondContact O-N 2.77Å; D98-S102 PolarHBondContact O-OG 3.37Å; I99-S102 PolarHBondContact O-N 2.95Å; V100-S102 PolarHBondContact O-N 2.9Å; S102-Y105 WeakPolarHBondContact O-CB 3.43Å; S102-Y105 PolarHBondContact O-N 2.82Å; S102-Q106 WeakPolarHBondContact O-CG 3.4Å; S102-Q106 PolarHBondContact O-N 3.1Å
103	R	94.3	Very high	94.8	Very high	138 Å²	138	87.8 Å²	87.8	52%	0.521	45%	0.45	S	S	.	.	H	α-helix	trans	-61.6	-46.3	175.6	-176.2	174.4	177.2	158	1.1	111.5	D2 I99 V100 Y105 Q106 L107	D2-R103 IonicContact OD2-CZ 2.72Å; D2-R103 VanDerWaalsContact OD2-CZ 3.3Å; D2-R103 IonicContact OD2-NE 3.57Å; D2-R103 PolarHBondContact OD2-NE 2.83Å; D2-R103 VanDerWaalsContact OD2-NE 3.16Å; D2-R103 IonicContact OD2-NH2 2.95Å; D2-R103 PolarHBondContact OD2-NH2 2.73Å; I99-R103 WeakPolarHBondContact O-CB 3.43Å; I99-R103 PolarHBondContact O-N 3.1Å; V100-R103 PolarHBondContact O-N 3.31Å; R103-Y105 VanDerWaalsContact C-N 3.32Å; R103-Y105 PolarHBondContact O-N 3.48Å; R103-Q106 PolarHBondContact O-N 2.89Å; R103-L107 HydrophobicContact CG-CD1 4.13Å; R103-L107 WeakPolarHBondContact O-CD1 3.38Å; R103-L107 VanDerWaalsContact O-CG 3.3Å; R103-L107 WeakPolarHBondContact O-CG 3.42Å; R103-L107 PolarHBondContact O-N 2.91Å
104	I	93.8	Very high	94.7	Very high	50 Å²	50	94.9 Å²	94.9	26%	0.256	48%	0.476	S	S	.	.	H	α-helix	trans	-58	-47.6	174.8	-68.7	167.3	0	0	0	109.9	L88 V100 N101 Q106 L107 T108	L88-I104 HydrophobicContact CD2-CD1 4.18Å; V100-I104 HydrophobicContact CG1-CD1 3.86Å; V100-I104 WeakPolarHBondContact O-CG1 3.48Å; V100-I104 PolarHBondContact O-N 3.14Å; N101-I104 PolarHBondContact O-N 3.33Å; I104-Q106 PolarHBondContact O-N 2.84Å; I104-L107 WeakPolarHBondContact O-CB 3.43Å; I104-L107 PolarHBondContact O-N 3.26Å; I104-L107 VanDerWaalsContact O-N 3.16Å; I104-T108 HydrophobicContact CG2-CG2 4.38Å; I104-T108 WeakPolarHBondContact O-CG2 3.12Å; I104-T108 PolarHBondContact O-N 3.11Å
105	Y	95.7	Very high	94.6	Very high	129 Å²	129	99.4 Å²	99.4	51%	0.506	49%	0.488	S	S	.	.	H	α-helix	trans	-58.1	-46.2	179	177.5	-113.9	0	0	0	112.6	N101 S102 R103 L107 T108 K109	N101-Y105 WeakPolarHBondContact O-CB 3.44Å; N101-Y105 PolarHBondContact O-N 3.1Å; S102-Y105 WeakPolarHBondContact O-CB 3.43Å; S102-Y105 PolarHBondContact O-N 2.82Å; R103-Y105 VanDerWaalsContact C-N 3.32Å; R103-Y105 PolarHBondContact O-N 3.48Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.3Å; Y105-T108 PolarHBondContact O-N 3.27Å; Y105-T108 PolarHBondContact O-OG1 3.49Å; Y105-K109 HydrophobicContact CE1-CD 4.37Å; Y105-K109 VanDerWaalsContact CZ-NZ 3.32Å; Y105-K109 PolarHBondContact O-N 3.02Å; Y105-K109 WeakPolarHBondContact OH-CE 3.47Å; Y105-K109 PolarHBondContact OH-NZ 3.31Å
106	Q	96.7	Very high	94.5	Very high	107 Å²	107	96.3 Å²	96.3	50%	0.5	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-37.3	176.7	-64	-57.1	-21.9	0	0	112.6	S102 R103 I104 K109 T110	S102-Q106 WeakPolarHBondContact O-CG 3.4Å; S102-Q106 PolarHBondContact O-N 3.1Å; R103-Q106 PolarHBondContact O-N 2.89Å; I104-Q106 PolarHBondContact O-N 2.84Å; Q106-K109 PolarHBondContact O-N 2.89Å; Q106-T110 PolarHBondContact O-N 3.49Å; Q106-T110 PolarHBondContact O-OG1 3.32Å
107	L	93.7	Very high	94.5	Very high	56 Å²	56	97.5 Å²	97.5	29%	0.293	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-40.9	173.9	-70.2	163.1	0	0	0	111.8	D2 R103 I104 Y105 K109 T110 I111	D2-L107 WeakPolarHBondContact OD1-CD1 3.35Å; R103-L107 HydrophobicContact CG-CD1 4.13Å; R103-L107 WeakPolarHBondContact O-CD1 3.38Å; R103-L107 VanDerWaalsContact O-CG 3.3Å; R103-L107 WeakPolarHBondContact O-CG 3.42Å; R103-L107 PolarHBondContact O-N 2.91Å; I104-L107 WeakPolarHBondContact O-CB 3.43Å; I104-L107 PolarHBondContact O-N 3.26Å; I104-L107 VanDerWaalsContact O-N 3.16Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.3Å; L107-K109 PolarHBondContact O-N 3.26Å; L107-T110 PolarHBondContact O-N 2.97Å; L107-T110 PolarHBondContact O-OG1 2.95Å; L107-I111 WeakPolarHBondContact O-CB 3.3Å; L107-I111 PolarHBondContact O-N 2.98Å
108	T	95.2	Very high	94.4	Very high	84 Å²	84	98.7 Å²	98.7	52%	0.515	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-24.9	177.6	63.9	0	0	0	0	113.6	I104 Y105 I111	I104-T108 HydrophobicContact CG2-CG2 4.38Å; I104-T108 WeakPolarHBondContact O-CG2 3.12Å; I104-T108 PolarHBondContact O-N 3.11Å; Y105-T108 PolarHBondContact O-N 3.27Å; Y105-T108 PolarHBondContact O-OG1 3.49Å; T108-I111 WeakPolarHBondContact O-CG2 3.29Å
109	K	97.2	Very high	94.3	Very high	121 Å²	121	102.1 Å²	102.1	53%	0.526	49%	0.494	S	S	.	.	H	α-helix	trans	-78.3	-23.3	175.7	-67.2	-176.4	177.4	-179.2	0	113.8	Y105 Q106 L107	Y105-K109 HydrophobicContact CE1-CD 4.37Å; Y105-K109 VanDerWaalsContact CZ-NZ 3.32Å; Y105-K109 PolarHBondContact O-N 3.02Å; Y105-K109 WeakPolarHBondContact OH-CE 3.47Å; Y105-K109 PolarHBondContact OH-NZ 3.31Å; Q106-K109 PolarHBondContact O-N 2.89Å; L107-K109 PolarHBondContact O-N 3.26Å
110	T	96.4	Very high	94.3	Very high	92 Å²	92	97 Å²	97	56%	0.564	47%	0.467	S	S	*	.	H	α-helix	trans	-117.1	-9.5	-167.7	53.4	0	0	0	0	113.4	Q106 L107 K112	Q106-T110 PolarHBondContact O-N 3.49Å; Q106-T110 PolarHBondContact O-OG1 3.32Å; L107-T110 PolarHBondContact O-N 2.97Å; L107-T110 PolarHBondContact O-OG1 2.95Å; T110-K112 PolarHBondContact O-N 2.84Å
111	I	95	Very high	94.3	Very high	87 Å²	87	103.1 Å²	103.1	45%	0.446	49%	0.494	S	S	.	.			trans	-54.4	130.1	176.1	-168.5	175.9	0	0	0	111.5	M1 L107 T108 E113	M1-I111 HydrophobicContact CE-CD1 3.46Å; M1-I111 VanDerWaalsContact CE-CD1 3.46Å; M1-I111 HydrophobicContact CE-CG1 3.56Å; M1-I111 HydrophobicContact SD-CD1 3.32Å; M1-I111 WeakPolarHBondContact SD-CD1 3.43Å; M1-I111 HydrophobicContact SD-CG1 3.79Å; L107-I111 WeakPolarHBondContact O-CB 3.3Å; L107-I111 PolarHBondContact O-N 2.98Å; T108-I111 WeakPolarHBondContact O-CG2 3.29Å; I111-E113 WeakPolarHBondContact CG1-O 3.48Å
112	K	96.8	Very high	94.4	Very high	211 Å²	211	100 Å²	100	92%	0.917	48%	0.478	S	S	*	.			trans	-116.4	-26.3	179.9	-65.7	-173.2	179.4	-178.4	0	114.2	T110	T110-K112 PolarHBondContact O-N 2.84Å
113	E	95.1	Very high	94.5	Very high	118 Å²	118	102.5 Å²	102.5	55%	0.551	48%	0.48	S	S	*	.			trans	-145	160.3	-179.3	58.5	174.7	-152.3	0	0	108.4	M1 I111 Y115	M1-E113 WeakPolarHBondContact CE-O 3.4Å; I111-E113 WeakPolarHBondContact CG1-O 3.48Å; E113-Y115 PolarHBondContact OE1-OH 3.13Å
114	Y	94.2	Very high	94.6	Very high	153 Å²	153	96.6 Å²	96.6	60%	0.6	46%	0.459	S	S	*	.			trans	-146.5	155.5	170.1	70.7	-83.1	0	0	0	110.2	T116	Y114-T116 HydrophobicContact CD2-CG2 4.31Å; Y114-T116 HydrophobicContact CE2-CG2 3.7Å
115	Y	92.5	Very high	94.6	Very high	113 Å²	113	98.2 Å²	98.2	44%	0.443	47%	0.468	S	S	.	.			trans	-103.7	135.9	-176.8	-57.6	-85	0	0	0	110.4	A37 N38 E113	A37-Y115 VanDerWaalsContact CB-C 3.44Å; N38-Y115 PolarHBondContact ND2-O 2.84Å; E113-Y115 PolarHBondContact OE1-OH 3.13Å
116	T	94.5	Very high	94.5	Very high	46 Å²	46	99.9 Å²	99.9	28%	0.282	47%	0.473	S	S	.	.			trans	-153.3	143.3	-179.7	-175.5	0	0	0	0	112.2	R33 A37 Y114 T118	R33-T116 WeakPolarHBondContact CB-OG1 3.41Å; A37-T116 VanDerWaalsContact CB-CA 3.46Å; A37-T116 VanDerWaalsContact CB-N 3.33Å; Y114-T116 HydrophobicContact CD2-CG2 4.31Å; Y114-T116 HydrophobicContact CE2-CG2 3.7Å; T116-T118 HydrophobicContact CG2-CG2 3.75Å; T116-T118 PolarHBondContact O-N 3.37Å
117	C	93.8	Very high	94.6	Very high	34 Å²	34	98.9 Å²	98.9	23%	0.23	47%	0.474	C	S	.	.			trans	-92.5	80.4	170.7	-63.4	0	0	0	0	110.3	R33 A36 K119 L120	R33-C117 WeakPolarHBondContact CD-O 3.34Å; R33-C117 WeakPolarHBondContact CG-O 3.36Å; R33-C117 PolarHBondContact O-N 3.18Å; A36-C117 HydrophobicContact CB-CB 4.38Å; C117-K119 PolarHBondContact O-N 3.03Å; C117-L120 HydrophobicContact CB-CB 3.98Å; C117-L120 HydrophobicContact CB-CD2 4.45Å; C117-L120 WeakPolarHBondContact O-CB 3.43Å; C117-L120 PolarHBondContact O-N 2.94Å
118	T	90.1	Very high	94.8	Very high	100 Å²	100	97.9 Å²	97.9	61%	0.613	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.5	-167.6	53.9	0	0	0	0	115.9	T116	T116-T118 HydrophobicContact CG2-CG2 3.75Å; T116-T118 PolarHBondContact O-N 3.37Å
119	K	91.3	Very high	94.9	Very high	204 Å²	204	98.6 Å²	98.6	89%	0.887	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.4	-178.6	-61.5	-175.2	-179.3	-179.3	0	114.5	C117	C117-K119 PolarHBondContact O-N 3.03Å
120	L	93.4	Very high	94.9	Very high	26 Å²	26	95.2 Å²	95.2	14%	0.136	46%	0.461	C	S	.	.			trans	-75	128.2	-179.2	175.1	66.5	0	0	0	110.2	I32 R33 A36 C117 V122 V132 M140	I32-L120 HydrophobicContact CG2-CD2 3.84Å; I32-L120 HydrophobicContact CG2-CG 4.46Å; R33-L120 HydrophobicContact CG-CB 4.13Å; R33-L120 PolarHBondContact NE-O 2.68Å; A36-L120 HydrophobicContact CB-CD2 3.76Å; C117-L120 HydrophobicContact CB-CB 3.98Å; C117-L120 HydrophobicContact CB-CD2 4.45Å; C117-L120 WeakPolarHBondContact O-CB 3.43Å; C117-L120 PolarHBondContact O-N 2.94Å; L120-V122 HydrophobicContact CD1-CG2 4.37Å; L120-V122 HydrophobicContact CG-CG2 4.48Å; L120-V132 HydrophobicContact CD1-CB 3.63Å; L120-V132 HydrophobicContact CD1-CG1 3.77Å; L120-V132 HydrophobicContact CD1-CG2 3.9Å; L120-V132 HydrophobicContact CD2-CG2 4.13Å; L120-M140 HydrophobicContact CD2-CE 3.92Å
121	E	93.5	Very high	94.9	Very high	159 Å²	159	95 Å²	95	74%	0.743	46%	0.459	S	S	*	.			trans	-137.2	135.4	177.1	-173.1	172.2	-169.5	0	0	109.7
122	V	95	Very high	94.9	Very high	4 Å²	4	91.7 Å²	91.7	2%	0.024	44%	0.443	C	S	.	.			trans	-125.6	138.4	-175.3	-177.9	0	0	0	0	110.7	Q29 I32 L120 L124 V132 I142	Q29-V122 PolarHBondContact NE2-O 2.91Å; Q29-V122 VanDerWaalsContact OE1-N 3.14Å; I32-V122 HydrophobicContact CD1-CB 4.23Å; I32-V122 HydrophobicContact CD1-CG2 4.34Å; I32-V122 HydrophobicContact CG2-CG2 3.95Å; L120-V122 HydrophobicContact CD1-CG2 4.37Å; L120-V122 HydrophobicContact CG-CG2 4.48Å; V122-L124 HydrophobicContact CG1-CD2 4.49Å; V122-L124 PolarHBondContact O-N 2.67Å; V122-V132 HydrophobicContact CG2-CG1 4.26Å; V122-I142 HydrophobicContact CG1-CB 4.05Å; V122-I142 HydrophobicContact CG1-CG1 4.11Å; V122-I142 HydrophobicContact CG1-CG2 3.75Å; V122-I142 HydrophobicContact CG2-CG1 4.01Å
123	K	96.4	Very high	94.6	Very high	121 Å²	121	92 Å²	92	53%	0.526	44%	0.438	S	S	.	.			trans	-78.8	107.7	177.7	-64.7	-178	-178.3	177	0	109.9	Q130	K123-Q130 VanDerWaalsContact N-OE1 3.16Å; K123-Q130 PolarHBondContact O-NE2 2.91Å
124	L	95.7	Very high	94.3	Very high	14 Å²	14	87.3 Å²	87.3	7%	0.073	42%	0.417	C	S	.	.	S	Bend	trans	-82.8	-12.2	-179.9	-55.2	-179	0	0	0	113.4	I28 I32 I45 F48 V122 V144	I28-L124 HydrophobicContact CB-CD1 4.23Å; I28-L124 HydrophobicContact CG2-CD1 3.79Å; I28-L124 HydrophobicContact CG2-CD2 4.19Å; I32-L124 HydrophobicContact CD1-CD2 4.12Å; I45-L124 HydrophobicContact CD1-CD2 3.87Å; I45-L124 HydrophobicContact CG2-CD2 4.49Å; F48-L124 PolarHBondContact N-O 3.41Å; V122-L124 HydrophobicContact CG1-CD2 4.49Å; V122-L124 PolarHBondContact O-N 2.67Å; L124-V144 WeakPolarHBondContact O-CG1 3.39Å
125	N	94.7	Very high	93.7	Very high	83 Å²	83	83.4 Å²	83.4	44%	0.444	42%	0.424	S	S	.	.	S	Bend	trans	-88.5	-10.8	-173.9	64	-20.5	0	0	0	114.6	Q47 F48	Q47-N125 PolarHBondContact NE2-O 3.34Å; F48-N125 HydrophobicContact CD1-CB 3.81Å; F48-N125 HydrophobicContact CE1-CB 3.39Å; F48-N125 HydrophobicContact CZ-CB 4.17Å
126	R	94.2	Very high	92.9	Very high	165 Å²	165	83 Å²	83	62%	0.623	44%	0.444	S	S	*	.	S	Bend	trans	-110	118.4	-179	-70.7	-173.8	177.7	-167.3	-2.5	109.9	V144	R126-V144 VanDerWaalsContact O-CB 3.3Å; R126-V144 WeakPolarHBondContact O-CB 3.37Å; R126-V144 WeakPolarHBondContact O-CG1 3.41Å
127	V	97.2	Very high	92	Very high	86 Å²	86	90 Å²	90	52%	0.521	47%	0.471	S	S	.	.			trans	-62.2	137.5	169.5	171.7	0	0	0	0	109.3	Q47 V144	Q47-V127 HydrophobicContact CB-CG2 4.33Å; Q47-V127 HydrophobicContact CG-CG2 4.14Å; V127-V144 CarbonylContact C-O 3.51Å; V127-V144 WeakPolarHBondContact CA-O 3.39Å
128	G	97.9	Very high	91.6	Very high	34 Å²	34	93 Å²	93	35%	0.351	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.9	-175.3	-178.4	0	0	0	0	0	112.5	V144	G128-V144 PolarHBondContact N-O 2.95Å; G128-V144 PolarHBondContact O-N 3.45Å
129	E	98.1	Very high	91.8	Very high	100 Å²	100	93.2 Å²	93.2	47%	0.467	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.3	178.2	-176	176.4	156	0	0	111.1	R141 I142	E129-R141 VanDerWaalsContact CD-NE 3.34Å; E129-R141 VanDerWaalsContact CD-NH2 3.27Å; E129-R141 IonicContact OE1-CZ 3.55Å; E129-R141 IonicContact OE1-NE 3.6Å; E129-R141 PolarHBondContact OE1-NE 3.03Å; E129-R141 IonicContact OE1-NH2 2.69Å; E129-R141 PolarHBondContact OE1-NH2 3.43Å; E129-R141 IonicContact OE2-CZ 2.71Å; E129-R141 IonicContact OE2-NE 3.39Å; E129-R141 IonicContact OE2-NH2 3.16Å; E129-R141 PolarHBondContact OE2-NH2 3.26Å; E129-I142 CarbonylContact C-O 3.55Å; E129-I142 WeakPolarHBondContact CA-O 3.42Å
130	Q	97.3	Very high	92	Very high	50 Å²	50	83.5 Å²	83.5	23%	0.234	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.1	169.6	-70.4	166.9	88.3	0	0	108.4	K123 I142	K123-Q130 VanDerWaalsContact N-OE1 3.16Å; K123-Q130 PolarHBondContact O-NE2 2.91Å; Q130-I142 HydrophobicContact CB-CB 4.39Å; Q130-I142 PolarHBondContact N-O 3.09Å; Q130-I142 PolarHBondContact O-N 2.88Å
131	V	96.1	Very high	92.3	Very high	87 Å²	87	86.7 Å²	86.7	53%	0.527	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127	173.3	-177.8	0	0	0	0	108.6	I139 R141	V131-I139 HydrophobicContact CG1-CB 4.01Å; V131-I139 HydrophobicContact CG1-CD1 4.23Å; V131-I139 HydrophobicContact CG1-CG2 4.25Å; V131-R141 HydrophobicContact CG2-CG 4.48Å
132	V	94	Very high	92.5	Very high	17 Å²	17	79.1 Å²	79.1	10%	0.103	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.4	179.9	-57	0	0	0	0	109.9	L120 V122 I139 M140 I142	L120-V132 HydrophobicContact CD1-CB 3.63Å; L120-V132 HydrophobicContact CD1-CG1 3.77Å; L120-V132 HydrophobicContact CD1-CG2 3.9Å; L120-V132 HydrophobicContact CD2-CG2 4.13Å; V122-V132 HydrophobicContact CG2-CG1 4.26Å; V132-I139 CarbonylContact O-C 3.58Å; V132-I139 WeakPolarHBondContact O-CA 3.49Å; V132-M140 HydrophobicContact CG2-CB 3.93Å; V132-M140 HydrophobicContact CG2-CE 3.57Å; V132-M140 WeakPolarHBondContact CG2-O 3.46Å; V132-M140 PolarHBondContact N-O 3.33Å; V132-M140 PolarHBondContact O-N 3.16Å; V132-I142 HydrophobicContact CG1-CG1 4.49Å; V132-I142 HydrophobicContact CG2-CG1 4.46Å
133	R	91.4	Very high	92.6	Very high	218 Å²	218	80.6 Å²	80.6	82%	0.823	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.1	175.4	-73.9	-177.9	176.3	156	-0.9	110.2	I139	R133-I139 HydrophobicContact CG-CG2 4.41Å
134	V	88.5	Confident	92.7	Very high	19 Å²	19	75 Å²	75	12%	0.115	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105.6	176.9	-175.9	0	0	0	0	107.6	A36 D138 M140	A36-V134 HydrophobicContact CB-CG1 4.44Å; A36-V134 HydrophobicContact CB-CG2 3.89Å; A36-V134 WeakPolarHBondContact O-CG1 3.42Å; V134-D138 HydrophobicContact CB-CB 4.15Å; V134-D138 PolarHBondContact N-O 3.47Å; V134-D138 WeakPolarHBondContact O-CB 3.38Å; V134-D138 PolarHBondContact O-N 3.28Å; V134-M140 HydrophobicContact CG2-CB 4.04Å
135	G	82.1	Confident	92.8	Very high	71 Å²	71	75.4 Å²	75.4	73%	0.732	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	-144.9	-173.1	0	0	0	0	0	112.7
136	A	76.5	Confident	92.8	Very high	105 Å²	105	73.4 Å²	73.4	87%	0.868	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-27.8	-171.5	0	0	0	0	0	114.6
137	K	73.9	Confident	92.8	Very high	194 Å²	194	65.9 Å²	65.9	84%	0.843	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-20.5	-170.6	-66.3	-172.1	179.5	-178.2	0	114.8
138	D	87.3	Confident	92.5	Very high	95 Å²	95	62 Å²	62	51%	0.508	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	153.3	-174	-57.1	-48.3	0	0	0	111.5	V134	V134-D138 HydrophobicContact CB-CB 4.15Å; V134-D138 PolarHBondContact N-O 3.47Å; V134-D138 WeakPolarHBondContact O-CB 3.38Å; V134-D138 PolarHBondContact O-N 3.28Å
139	I	93.5	Very high	92.3	Very high	105 Å²	105	66.4 Å²	66.4	54%	0.538	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.1	173.7	60.9	171.4	0	0	0	109.4	V131 V132 R133	V131-I139 HydrophobicContact CG1-CB 4.01Å; V131-I139 HydrophobicContact CG1-CD1 4.23Å; V131-I139 HydrophobicContact CG1-CG2 4.25Å; V132-I139 CarbonylContact O-C 3.58Å; V132-I139 WeakPolarHBondContact O-CA 3.49Å; R133-I139 HydrophobicContact CG-CG2 4.41Å
140	M	96.3	Very high	92.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.8	169.2	179.1	-178	58.5	0	0	108.8	I32 A36 V40 S41 V43 L120 V132 V134 I142	I32-M140 HydrophobicContact CG2-CE 3.87Å; A36-M140 HydrophobicContact CB-CE 3.46Å; A36-M140 VanDerWaalsContact CB-CE 3.46Å; A36-M140 HydrophobicContact CB-SD 4.02Å; V40-M140 VanDerWaalsContact O-CG 3.3Å; V40-M140 WeakPolarHBondContact O-CG 3.29Å; S41-M140 CarbonylContact O-C 3.54Å; S41-M140 WeakPolarHBondContact O-CA 3.45Å; V43-M140 HydrophobicContact CG2-SD 3.88Å; L120-M140 HydrophobicContact CD2-CE 3.92Å; V132-M140 HydrophobicContact CG2-CB 3.93Å; V132-M140 HydrophobicContact CG2-CE 3.57Å; V132-M140 WeakPolarHBondContact CG2-O 3.46Å; V132-M140 PolarHBondContact N-O 3.33Å; V132-M140 PolarHBondContact O-N 3.16Å; V134-M140 HydrophobicContact CG2-CB 4.04Å; M140-I142 HydrophobicContact CE-CD1 3.61Å; M140-I142 HydrophobicContact CE-CG1 4.46Å; M140-I142 HydrophobicContact CG-CD1 4.34Å; M140-I142 HydrophobicContact SD-CD1 4.17Å
141	R	97.7	Very high	92	Very high	93 Å²	93	64.7 Å²	64.7	35%	0.351	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.9	175.1	-63.9	173.2	67.6	-138.1	3.4	109.3	S41 T42 V43 E129 V131	S41-R141 PolarHBondContact O-N 3.2Å; T42-R141 CarbonylContact C-O 3.58Å; T42-R141 VanDerWaalsContact CA-O 3.27Å; T42-R141 WeakPolarHBondContact CA-O 3.49Å; T42-R141 HydrophobicContact CG2-CB 4.21Å; V43-R141 PolarHBondContact N-O 3.42Å; E129-R141 VanDerWaalsContact CD-NE 3.34Å; E129-R141 VanDerWaalsContact CD-NH2 3.27Å; E129-R141 IonicContact OE1-CZ 3.55Å; E129-R141 IonicContact OE1-NE 3.6Å; E129-R141 PolarHBondContact OE1-NE 3.03Å; E129-R141 IonicContact OE1-NH2 2.69Å; E129-R141 PolarHBondContact OE1-NH2 3.43Å; E129-R141 IonicContact OE2-CZ 2.71Å; E129-R141 IonicContact OE2-NE 3.39Å; E129-R141 IonicContact OE2-NH2 3.16Å; E129-R141 PolarHBondContact OE2-NH2 3.26Å; V131-R141 HydrophobicContact CG2-CG 4.48Å
142	I	98	Very high	91.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.3	169.4	-48.7	-68.3	0	0	0	108.3	I32 V43 I45 V122 E129 Q130 V132 M140 V144	I32-I142 HydrophobicContact CG2-CD1 3.88Å; V43-I142 HydrophobicContact CB-CD1 3.77Å; V43-I142 HydrophobicContact CG2-CD1 4.19Å; V43-I142 CarbonylContact O-C 3.6Å; V43-I142 WeakPolarHBondContact O-CA 3.14Å; I45-I142 HydrophobicContact CD1-CG2 4.01Å; V122-I142 HydrophobicContact CG1-CB 4.05Å; V122-I142 HydrophobicContact CG1-CG1 4.11Å; V122-I142 HydrophobicContact CG1-CG2 3.75Å; V122-I142 HydrophobicContact CG2-CG1 4.01Å; E129-I142 CarbonylContact C-O 3.55Å; E129-I142 WeakPolarHBondContact CA-O 3.42Å; Q130-I142 HydrophobicContact CB-CB 4.39Å; Q130-I142 PolarHBondContact N-O 3.09Å; Q130-I142 PolarHBondContact O-N 2.88Å; V132-I142 HydrophobicContact CG1-CG1 4.49Å; V132-I142 HydrophobicContact CG2-CG1 4.46Å; M140-I142 HydrophobicContact CE-CD1 3.61Å; M140-I142 HydrophobicContact CE-CG1 4.46Å; M140-I142 HydrophobicContact CG-CD1 4.34Å; M140-I142 HydrophobicContact SD-CD1 4.17Å; I142-V144 HydrophobicContact CG2-CG2 4.36Å
143	I	98.3	Very high	91.8	Very high	36 Å²	36	64.6 Å²	64.6	19%	0.185	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.3	-179.5	-57.4	175.5	0	0	0	107.8	T42 V43 M44 I45	T42-I143 HydrophobicContact CG2-CD1 3.79Å; T42-I143 HydrophobicContact CG2-CG1 4.21Å; V43-I143 PolarHBondContact O-N 3.27Å; M44-I143 CarbonylContact C-O 3.57Å; M44-I143 WeakPolarHBondContact CA-O 3.39Å; M44-I143 HydrophobicContact CE-CG2 4.42Å; M44-I143 HydrophobicContact CG-CB 4.26Å; M44-I143 HydrophobicContact CG-CD1 4.34Å; I45-I143 PolarHBondContact N-O 2.91Å
144	V	98.2	Very high	92	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127	173	-178.8	0	0	0	0	108.6	I45 Q47 L124 R126 V127 G128 I142	I45-V144 CarbonylContact O-C 3.6Å; I45-V144 VanDerWaalsContact O-CA 3.27Å; I45-V144 WeakPolarHBondContact O-CA 3.11Å; Q47-V144 HydrophobicContact CB-CG1 4.34Å; Q47-V144 HydrophobicContact CG-CG1 4.44Å; L124-V144 WeakPolarHBondContact O-CG1 3.39Å; R126-V144 VanDerWaalsContact O-CB 3.3Å; R126-V144 WeakPolarHBondContact O-CB 3.37Å; R126-V144 WeakPolarHBondContact O-CG1 3.41Å; V127-V144 CarbonylContact C-O 3.51Å; V127-V144 WeakPolarHBondContact CA-O 3.39Å; G128-V144 PolarHBondContact N-O 2.95Å; G128-V144 PolarHBondContact O-N 3.45Å; I142-V144 HydrophobicContact CG2-CG2 4.36Å
145	F	97.4	Very high	92.3	Very high	23 Å²	23	55.9 Å²	55.9	10%	0.101	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.4	-176.5	66.9	-80.9	0	0	0	112.7	M44 I45 G46 Q47 M51 A59 S147 E150	M44-F145 HydrophobicContact CB-CE1 4.05Å; M44-F145 HydrophobicContact CE-CE1 4.36Å; I45-F145 WeakPolarHBondContact O-CD1 3.03Å; I45-F145 PolarHBondContact O-N 3.3Å; G46-F145 CarbonylContact C-O 3.59Å; G46-F145 WeakPolarHBondContact CA-O 3.5Å; Q47-F145 PolarHBondContact N-O 3.45Å; M51-F145 HydrophobicContact CE-CE1 4.33Å; M51-F145 HydrophobicContact CE-CE2 4.14Å; M51-F145 HydrophobicContact CE-CZ 3.48Å; M51-F145 VanDerWaalsContact CE-CZ 3.48Å; M51-F145 HydrophobicContact SD-CZ 4.24Å; A59-F145 HydrophobicContact CB-CE2 4.49Å; A59-F145 HydrophobicContact CB-CZ 3.91Å; F145-S147 PolarHBondContact O-N 3.45Å; F145-S147 VanDerWaalsContact O-N 3.08Å; F145-E150 HydrophobicContact CD2-CG 3.97Å; F145-E150 HydrophobicContact CE2-CG 4.43Å
146	D	95	Very high	92.8	Very high	41 Å²	41	57.8 Å²	57.8	22%	0.219	29%	0.289	C	S	.	.			trans	-76.7	95.2	173	-172.8	-25	0	0	0	109.2	V148 K149 E150 K194	D146-V148 PolarHBondContact O-N 2.85Å; D146-V148 PolarHBondContact OD1-N 3.35Å; D146-V148 VanDerWaalsContact OD1-N 3.08Å; D146-K149 HydrophobicContact CB-CB 3.82Å; D146-K149 VanDerWaalsContact CG-CB 3.47Å; D146-K149 PolarHBondContact O-N 3.44Å; D146-K149 PolarHBondContact OD1-N 2.93Å; D146-E150 PolarHBondContact O-N 3.46Å; D146-E150 VanDerWaalsContact O-N 3.16Å; D146-K194 IonicContact OD1-NZ 3.64Å; D146-K194 IonicContact OD2-NZ 2.77Å; D146-K194 PolarHBondContact OD2-NZ 3.26Å
147	S	93.6	Very high	93.7	Very high	7 Å²	7	57.4 Å²	57.4	5%	0.049	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-30	-177.6	59.4	0	0	0	0	112.6	V50 F145 Y151	V50-S147 PolarHBondContact O-OG 3.46Å; F145-S147 PolarHBondContact O-N 3.45Å; F145-S147 VanDerWaalsContact O-N 3.08Å; S147-Y151 VanDerWaalsContact O-CB 3.3Å; S147-Y151 WeakPolarHBondContact O-CB 3.31Å; S147-Y151 PolarHBondContact O-N 2.81Å; S147-Y151 VanDerWaalsContact O-N 3.1Å
148	V	92.5	Very high	94.7	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-75.5	-42	179.7	-174.4	0	0	0	0	110.6	D146 Y151 G152 E190 V191 K194	D146-V148 PolarHBondContact O-N 2.85Å; D146-V148 PolarHBondContact OD1-N 3.35Å; D146-V148 VanDerWaalsContact OD1-N 3.08Å; V148-Y151 PolarHBondContact O-N 2.98Å; V148-G152 PolarHBondContact O-N 3.07Å; V148-E190 HydrophobicContact CG2-CB 4.33Å; V148-E190 HydrophobicContact CG2-CG 4.09Å; V148-V191 HydrophobicContact CG1-CB 4.44Å; V148-V191 HydrophobicContact CG1-CG2 4.19Å; V148-V191 HydrophobicContact CG2-CG2 3.9Å; V148-K194 HydrophobicContact CB-CD 3.75Å; V148-K194 HydrophobicContact CG1-CB 3.65Å; V148-K194 HydrophobicContact CG1-CD 3.51Å; V148-K194 HydrophobicContact CG1-CG 4.17Å; V148-K194 HydrophobicContact CG2-CD 4.2Å
149	K	93.6	Very high	95.1	Very high	126 Å²	126	54.5 Å²	54.5	55%	0.548	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-47.2	176.1	-174.8	-179.2	-178.8	178.9	0	111.5	D146 G152 K153	D146-K149 HydrophobicContact CB-CB 3.82Å; D146-K149 VanDerWaalsContact CG-CB 3.47Å; D146-K149 PolarHBondContact O-N 3.44Å; D146-K149 PolarHBondContact OD1-N 2.93Å; K149-G152 PolarHBondContact O-N 3.2Å; K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 3.14Å
150	E	93.5	Very high	95.1	Very high	69 Å²	69	53.2 Å²	53.2	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-44.2	179.7	-63	-49	133.4	0	0	111.7	F145 D146 G152 K153 C154	F145-E150 HydrophobicContact CD2-CG 3.97Å; F145-E150 HydrophobicContact CE2-CG 4.43Å; D146-E150 PolarHBondContact O-N 3.46Å; D146-E150 VanDerWaalsContact O-N 3.16Å; E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 2.98Å; E150-K153 VanDerWaalsContact CD-NZ 3.26Å; E150-K153 PolarHBondContact O-N 2.61Å; E150-K153 IonicContact OE1-NZ 3.4Å; E150-K153 PolarHBondContact OE1-NZ 2.87Å; E150-K153 IonicContact OE2-NZ 3.48Å; E150-K153 PolarHBondContact OE2-NZ 3.5Å; E150-C154 PolarHBondContact O-N 3.47Å
151	Y	94.4	Very high	94.9	Very high	45 Å²	45	54.9 Å²	54.9	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-40.1	173.8	-172.9	-98.9	0	0	0	112.3	P54 A55 L58 S147 V148 C154 M155 V191 L195	P54-Y151 HydrophobicContact CB-CE2 3.61Å; A55-Y151 HydrophobicContact CB-CD2 4.11Å; A55-Y151 HydrophobicContact CB-CG 4.34Å; L58-Y151 HydrophobicContact CD2-CD2 3.93Å; S147-Y151 VanDerWaalsContact O-CB 3.3Å; S147-Y151 WeakPolarHBondContact O-CB 3.31Å; S147-Y151 PolarHBondContact O-N 2.81Å; S147-Y151 VanDerWaalsContact O-N 3.1Å; V148-Y151 PolarHBondContact O-N 2.98Å; Y151-C154 WeakPolarHBondContact O-CB 3.22Å; Y151-C154 PolarHBondContact O-N 3.21Å; Y151-M155 HydrophobicContact CD1-CG 3.91Å; Y151-M155 HydrophobicContact CD2-CE 4.39Å; Y151-M155 HydrophobicContact CE1-CE 4Å; Y151-M155 HydrophobicContact CE1-CG 3.53Å; Y151-M155 HydrophobicContact CE1-SD 3.77Å; Y151-M155 HydrophobicContact CE2-CE 3.74Å; Y151-M155 WeakPolarHBondContact O-CG 3.32Å; Y151-M155 PolarHBondContact O-N 3.36Å; Y151-V191 HydrophobicContact CD1-CG1 4.16Å; Y151-V191 HydrophobicContact CE1-CG1 4.34Å; Y151-L195 HydrophobicContact CD1-CD1 4.27Å; Y151-L195 HydrophobicContact CE1-CD1 4.4Å
152	G	93.1	Very high	94.7	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-38.8	178.7	0	0	0	0	0	114.1	V148 K149 E150 C154 M155 Q156	V148-G152 PolarHBondContact O-N 3.07Å; K149-G152 PolarHBondContact O-N 3.2Å; E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 2.98Å; G152-C154 VanDerWaalsContact C-N 3.31Å; G152-C154 PolarHBondContact O-N 3.36Å; G152-M155 PolarHBondContact O-N 2.9Å; G152-Q156 WeakPolarHBondContact O-CG 3.46Å; G152-Q156 PolarHBondContact O-N 3.3Å
153	K	93.6	Very high	94.4	Very high	97 Å²	97	65.1 Å²	65.1	42%	0.422	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-43.1	171.5	-70.1	170.7	-175.6	166.6	0	111.5	K149 E150 Q156 S157	K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 3.14Å; E150-K153 VanDerWaalsContact CD-NZ 3.26Å; E150-K153 PolarHBondContact O-N 2.61Å; E150-K153 IonicContact OE1-NZ 3.4Å; E150-K153 PolarHBondContact OE1-NZ 2.87Å; E150-K153 IonicContact OE2-NZ 3.48Å; E150-K153 PolarHBondContact OE2-NZ 3.5Å; K153-Q156 PolarHBondContact O-N 2.97Å; K153-S157 PolarHBondContact O-N 3.49Å; K153-S157 VanDerWaalsContact O-N 3.08Å
154	C	94.9	Very high	94.1	Very high	27 Å²	27	66.1 Å²	66.1	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-48.7	175.4	179	0	0	0	0	110.7	L58 E150 Y151 G152 Q156 S157 L158	L58-C154 HydrophobicContact CD1-CB 4.12Å; L58-C154 HydrophobicContact CD2-CB 3.53Å; L58-C154 HydrophobicContact CG-CB 4.48Å; E150-C154 PolarHBondContact O-N 3.47Å; Y151-C154 WeakPolarHBondContact O-CB 3.22Å; Y151-C154 PolarHBondContact O-N 3.21Å; G152-C154 VanDerWaalsContact C-N 3.31Å; G152-C154 PolarHBondContact O-N 3.36Å; C154-Q156 VanDerWaalsContact C-N 3.29Å; C154-Q156 PolarHBondContact O-N 3.24Å; C154-S157 PolarHBondContact O-N 2.8Å; C154-S157 PolarHBondContact O-OG 2.86Å; C154-L158 WeakPolarHBondContact O-CG 3.34Å; C154-L158 PolarHBondContact O-N 2.61Å
155	M	94.5	Very high	93.8	Very high	28 Å²	28	72.6 Å²	72.6	14%	0.138	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-39.9	177.1	-63.6	-58.3	100.7	0	0	112.6	Y151 G152 S157 L158 F159 F161	Y151-M155 HydrophobicContact CD1-CG 3.91Å; Y151-M155 HydrophobicContact CD2-CE 4.39Å; Y151-M155 HydrophobicContact CE1-CE 4Å; Y151-M155 HydrophobicContact CE1-CG 3.53Å; Y151-M155 HydrophobicContact CE1-SD 3.77Å; Y151-M155 HydrophobicContact CE2-CE 3.74Å; Y151-M155 WeakPolarHBondContact O-CG 3.32Å; Y151-M155 PolarHBondContact O-N 3.36Å; G152-M155 PolarHBondContact O-N 2.9Å; M155-S157 VanDerWaalsContact C-N 3.27Å; M155-S157 PolarHBondContact O-N 3.42Å; M155-L158 HydrophobicContact CE-CD1 3.89Å; M155-L158 PolarHBondContact O-N 3.09Å; M155-L158 VanDerWaalsContact O-N 3.13Å; M155-F159 WeakPolarHBondContact O-CD2 3.35Å; M155-F159 PolarHBondContact O-N 3.38Å; M155-F159 HydrophobicContact SD-CE2 4.14Å; M155-F161 HydrophobicContact CB-CE1 4.04Å; M155-F161 HydrophobicContact CB-CZ 3.74Å; M155-F161 WeakPolarHBondContact O-CE1 3.17Å
156	Q	93	Very high	93.6	Very high	110 Å²	110	72.5 Å²	72.5	51%	0.514	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-28.2	176.1	-75.6	174.8	4.6	0	0	113.6	G152 K153 C154 F159 F161	G152-Q156 WeakPolarHBondContact O-CG 3.46Å; G152-Q156 PolarHBondContact O-N 3.3Å; K153-Q156 PolarHBondContact O-N 2.97Å; C154-Q156 VanDerWaalsContact C-N 3.29Å; C154-Q156 PolarHBondContact O-N 3.24Å; Q156-F159 VanDerWaalsContact O-O 3.08Å; Q156-F161 HydrophobicContact CB-CE1 4.5Å; Q156-F161 HydrophobicContact CG-CD1 4.08Å; Q156-F161 HydrophobicContact CG-CD2 3.42Å; Q156-F161 VanDerWaalsContact CG-CD2 3.42Å; Q156-F161 HydrophobicContact CG-CE1 4.03Å; Q156-F161 HydrophobicContact CG-CE2 3.36Å; Q156-F161 HydrophobicContact CG-CG 3.79Å; Q156-F161 HydrophobicContact CG-CZ 3.68Å
157	S	94.8	Very high	93.4	Very high	97 Å²	97	73.9 Å²	73.9	68%	0.678	35%	0.352	S	S	*	.	H	α-helix	trans	-77.5	-25	173.7	72.7	0	0	0	0	113.2	K153 C154 M155	K153-S157 PolarHBondContact O-N 3.49Å; K153-S157 VanDerWaalsContact O-N 3.08Å; C154-S157 PolarHBondContact O-N 2.8Å; C154-S157 PolarHBondContact O-OG 2.86Å; M155-S157 VanDerWaalsContact C-N 3.27Å; M155-S157 PolarHBondContact O-N 3.42Å
158	L	95.8	Very high	93.3	Very high	112 Å²	112	76.6 Å²	76.6	59%	0.586	36%	0.363	S	S	*	.	H	α-helix	trans	-92	-30.5	-176.8	-66.9	175.7	0	0	0	113.1	C154 M155	C154-L158 WeakPolarHBondContact O-CG 3.34Å; C154-L158 PolarHBondContact O-N 2.61Å; M155-L158 HydrophobicContact CE-CD1 3.89Å; M155-L158 PolarHBondContact O-N 3.09Å; M155-L158 VanDerWaalsContact O-N 3.13Å
159	F	95	Very high	93.3	Very high	116 Å²	116	79.2 Å²	79.2	51%	0.509	38%	0.381	S	S	.	.	S	Bend	trans	-124.9	146.5	-177.2	-57.9	-79.7	0	0	0	111.1	M155 Q156 F161 M164	M155-F159 WeakPolarHBondContact O-CD2 3.35Å; M155-F159 PolarHBondContact O-N 3.38Å; M155-F159 HydrophobicContact SD-CE2 4.14Å; Q156-F159 VanDerWaalsContact O-O 3.08Å; F159-F161 HydrophobicContact CB-CD1 4.08Å; F159-F161 HydrophobicContact CB-CE1 4.04Å; F159-F161 WeakPolarHBondContact O-CD1 3.1Å; F159-F161 PolarHBondContact O-N 2.87Å; F159-M164 HydrophobicContact CB-SD 3.86Å; F159-M164 HydrophobicContact CG-SD 4.47Å
160	D	94.2	Very high	93.2	Very high	78 Å²	78	73.5 Å²	73.5	42%	0.417	36%	0.359	S	S	.	.			trans	-77.5	93	172.3	-172.5	-22.8	0	0	0	110.5	W162 Q163 M164	D160-W162 PolarHBondContact O-N 3.16Å; D160-W162 WeakPolarHBondContact OD1-CA 3.4Å; D160-W162 VanDerWaalsContact OD1-CB 3.25Å; D160-W162 WeakPolarHBondContact OD1-CB 3.27Å; D160-W162 PolarHBondContact OD1-N 2.65Å; D160-Q163 HydrophobicContact CB-CB 4.14Å; D160-Q163 HydrophobicContact CB-CG 4.38Å; D160-Q163 PolarHBondContact O-N 3.31Å; D160-Q163 PolarHBondContact OD1-N 3.48Å; D160-Q163 WeakPolarHBondContact OD2-CG 3.4Å; D160-Q163 PolarHBondContact OD2-NE2 3.25Å; D160-M164 WeakPolarHBondContact O-CG 3.29Å; D160-M164 PolarHBondContact O-N 3.46Å
161	F	92.4	Very high	93.2	Very high	36 Å²	36	74.9 Å²	74.9	16%	0.158	38%	0.376	C	S	.	.	H	α-helix	trans	-64.5	-23	179.4	-85.1	38.9	0	0	0	112.5	M155 Q156 F159 M164 R165 L195	M155-F161 HydrophobicContact CB-CE1 4.04Å; M155-F161 HydrophobicContact CB-CZ 3.74Å; M155-F161 WeakPolarHBondContact O-CE1 3.17Å; Q156-F161 HydrophobicContact CB-CE1 4.5Å; Q156-F161 HydrophobicContact CG-CD1 4.08Å; Q156-F161 HydrophobicContact CG-CD2 3.42Å; Q156-F161 VanDerWaalsContact CG-CD2 3.42Å; Q156-F161 HydrophobicContact CG-CE1 4.03Å; Q156-F161 HydrophobicContact CG-CE2 3.36Å; Q156-F161 HydrophobicContact CG-CG 3.79Å; Q156-F161 HydrophobicContact CG-CZ 3.68Å; F159-F161 HydrophobicContact CB-CD1 4.08Å; F159-F161 HydrophobicContact CB-CE1 4.04Å; F159-F161 WeakPolarHBondContact O-CD1 3.1Å; F159-F161 PolarHBondContact O-N 2.87Å; F161-M164 HydrophobicContact CD1-SD 4.23Å; F161-M164 HydrophobicContact CE1-SD 4.49Å; F161-R165 WeakPolarHBondContact O-CB 3.38Å; F161-R165 WeakPolarHBondContact O-CG 3.38Å; F161-R165 PolarHBondContact O-N 3.18Å; F161-R165 PolarHBondContact O-NE 2.78Å; F161-L195 HydrophobicContact CE2-CD2 4.4Å
162	W	92.1	Very high	93	Very high	190 Å²	190	77.6 Å²	77.6	72%	0.72	39%	0.393	S	S	*	.	H	α-helix	trans	-69.6	-48.7	175.2	-179.2	-93.9	0	0	0	110.6	D160 M164 R165 A166	D160-W162 PolarHBondContact O-N 3.16Å; D160-W162 WeakPolarHBondContact OD1-CA 3.4Å; D160-W162 VanDerWaalsContact OD1-CB 3.25Å; D160-W162 WeakPolarHBondContact OD1-CB 3.27Å; D160-W162 PolarHBondContact OD1-N 2.65Å; W162-M164 VanDerWaalsContact C-N 3.35Å; W162-M164 PolarHBondContact O-N 3.26Å; W162-R165 PolarHBondContact O-N 3Å; W162-A166 PolarHBondContact O-N 3.05Å
163	Q	92.9	Very high	92.9	Very high	117 Å²	117	80.9 Å²	80.9	55%	0.547	41%	0.412	S	S	.	.	H	α-helix	trans	-63.6	-39.5	175.2	-74.4	-171	83.3	0	0	112.4	D160 R165 A166 L167	D160-Q163 HydrophobicContact CB-CB 4.14Å; D160-Q163 HydrophobicContact CB-CG 4.38Å; D160-Q163 PolarHBondContact O-N 3.31Å; D160-Q163 PolarHBondContact OD1-N 3.48Å; D160-Q163 WeakPolarHBondContact OD2-CG 3.4Å; D160-Q163 PolarHBondContact OD2-NE2 3.25Å; Q163-R165 PolarHBondContact O-N 2.91Å; Q163-A166 PolarHBondContact O-N 3.02Å; Q163-L167 WeakPolarHBondContact O-CB 3.25Å; Q163-L167 PolarHBondContact O-N 2.7Å
164	M	92.4	Very high	92.8	Very high	58 Å²	58	79.2 Å²	79.2	29%	0.286	42%	0.422	S	S	.	.	H	α-helix	trans	-61.6	-43.1	175.6	-69.6	179.3	69.8	0	0	112.2	F159 D160 F161 W162 A166 L167 F168	F159-M164 HydrophobicContact CB-SD 3.86Å; F159-M164 HydrophobicContact CG-SD 4.47Å; D160-M164 WeakPolarHBondContact O-CG 3.29Å; D160-M164 PolarHBondContact O-N 3.46Å; F161-M164 HydrophobicContact CD1-SD 4.23Å; F161-M164 HydrophobicContact CE1-SD 4.49Å; W162-M164 VanDerWaalsContact C-N 3.35Å; W162-M164 PolarHBondContact O-N 3.26Å; M164-A166 PolarHBondContact O-N 2.93Å; M164-L167 PolarHBondContact O-N 2.95Å; M164-F168 HydrophobicContact CB-CE2 4.2Å; M164-F168 HydrophobicContact CE-CE2 3.91Å; M164-F168 HydrophobicContact CE-CZ 4.15Å; M164-F168 WeakPolarHBondContact O-CD2 3.5Å; M164-F168 WeakPolarHBondContact O-CG 3.34Å; M164-F168 PolarHBondContact O-N 3.25Å
165	R	91.6	Very high	92.7	Very high	138 Å²	138	83.8 Å²	83.8	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-60	-46.1	174.7	-80.4	-175	-69.7	-98.2	-1.5	111.6	F161 W162 Q163 L167 F168 S169	F161-R165 WeakPolarHBondContact O-CB 3.38Å; F161-R165 WeakPolarHBondContact O-CG 3.38Å; F161-R165 PolarHBondContact O-N 3.18Å; F161-R165 PolarHBondContact O-NE 2.78Å; W162-R165 PolarHBondContact O-N 3Å; Q163-R165 PolarHBondContact O-N 2.91Å; R165-L167 VanDerWaalsContact C-N 3.31Å; R165-L167 PolarHBondContact O-N 3.04Å; R165-F168 PolarHBondContact O-N 2.98Å; R165-S169 WeakPolarHBondContact O-CB 3.43Å; R165-S169 PolarHBondContact O-N 3.03Å; R165-S169 PolarHBondContact O-OG 2.97Å; R165-S169 VanDerWaalsContact O-OG 3.09Å
166	A	92.5	Very high	92.6	Very high	21 Å²	21	86.6 Å²	86.6	17%	0.174	47%	0.465	C	S	.	.	H	α-helix	trans	-66.2	-32.2	179.4	0	0	0	0	0	113	W162 Q163 M164 S169 G170 S171 I172	W162-A166 PolarHBondContact O-N 3.05Å; Q163-A166 PolarHBondContact O-N 3.02Å; M164-A166 PolarHBondContact O-N 2.93Å; A166-S169 WeakPolarHBondContact CA-OG 3.05Å; A166-S169 PolarHBondContact O-OG 2.97Å; A166-S169 VanDerWaalsContact O-OG 3.12Å; A166-G170 PolarHBondContact O-N 3.08Å; A166-S171 PolarHBondContact O-N 3.12Å; A166-I172 HydrophobicContact CB-CD1 3.78Å; A166-I172 HydrophobicContact CB-CG1 3.8Å; A166-I172 PolarHBondContact O-N 2.9Å
167	L	92	Very high	92.4	Very high	70 Å²	70	84.3 Å²	84.3	37%	0.366	46%	0.458	S	S	.	.	H	α-helix	trans	-67	-51.5	172.1	177.6	63.9	0	0	0	110.8	Q163 M164 R165 S169 G170 I172 T173	Q163-L167 WeakPolarHBondContact O-CB 3.25Å; Q163-L167 PolarHBondContact O-N 2.7Å; M164-L167 PolarHBondContact O-N 2.95Å; R165-L167 VanDerWaalsContact C-N 3.31Å; R165-L167 PolarHBondContact O-N 3.04Å; L167-S169 PolarHBondContact O-N 2.88Å; L167-G170 PolarHBondContact O-N 2.71Å; L167-G170 VanDerWaalsContact O-N 3.11Å; L167-I172 HydrophobicContact CB-CD1 4.32Å; L167-T173 HydrophobicContact CD1-CG2 3.86Å
168	F	91.2	Very high	92.1	Very high	64 Å²	64	91.3 Å²	91.3	28%	0.281	47%	0.47	S	S	.	.	H	α-helix	trans	-70	-33.2	-175.7	-63.1	-37.5	0	0	0	113.2	M164 R165 G170 P176 V177 L179	M164-F168 HydrophobicContact CB-CE2 4.2Å; M164-F168 HydrophobicContact CE-CE2 3.91Å; M164-F168 HydrophobicContact CE-CZ 4.15Å; M164-F168 WeakPolarHBondContact O-CD2 3.5Å; M164-F168 WeakPolarHBondContact O-CG 3.34Å; M164-F168 PolarHBondContact O-N 3.25Å; R165-F168 PolarHBondContact O-N 2.98Å; F168-G170 PolarHBondContact O-N 2.98Å; F168-P176 WeakPolarHBondContact O-CA 3.41Å; F168-V177 HydrophobicContact CD1-CB 3.99Å; F168-V177 HydrophobicContact CD1-CG1 4.28Å; F168-V177 HydrophobicContact CD1-CG2 4.34Å; F168-V177 PolarHBondContact O-N 3.01Å; F168-L179 HydrophobicContact CD1-CD1 3.69Å; F168-L179 HydrophobicContact CD2-CD1 4.27Å; F168-L179 HydrophobicContact CE1-CD1 3.61Å; F168-L179 HydrophobicContact CE2-CD1 4.19Å; F168-L179 HydrophobicContact CG-CD1 4.04Å; F168-L179 HydrophobicContact CZ-CD1 3.86Å
169	S	92.4	Very high	91.6	Very high	59 Å²	59	90.8 Å²	90.8	41%	0.413	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.2	172.6	65.6	0	0	0	0	113.2	R165 A166 L167 S171 P176	R165-S169 WeakPolarHBondContact O-CB 3.43Å; R165-S169 PolarHBondContact O-N 3.03Å; R165-S169 PolarHBondContact O-OG 2.97Å; R165-S169 VanDerWaalsContact O-OG 3.09Å; A166-S169 WeakPolarHBondContact CA-OG 3.05Å; A166-S169 PolarHBondContact O-OG 2.97Å; A166-S169 VanDerWaalsContact O-OG 3.12Å; L167-S169 PolarHBondContact O-N 2.88Å; S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 WeakPolarHBondContact OG-CB 3.24Å; S169-S171 PolarHBondContact OG-N 3.1Å; S169-S171 PolarHBondContact OG-OG 3.09Å; S169-P176 WeakPolarHBondContact O-CG 3.46Å
170	G	91.7	Very high	91.3	Very high	7 Å²	7	93.8 Å²	93.8	7%	0.072	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	8.1	-172.1	0	0	0	0	0	113.7	A166 L167 F168 I172 T173 G174 N175	A166-G170 PolarHBondContact O-N 3.08Å; L167-G170 PolarHBondContact O-N 2.71Å; L167-G170 VanDerWaalsContact O-N 3.11Å; F168-G170 PolarHBondContact O-N 2.98Å; G170-I172 PolarHBondContact O-N 3.46Å; G170-T173 PolarHBondContact O-N 2.77Å; G170-G174 VanDerWaalsContact O-CA 3.26Å; G170-G174 WeakPolarHBondContact O-CA 3.49Å; G170-G174 PolarHBondContact O-N 3.24Å; G170-N175 VanDerWaalsContact CA-C 3.44Å; G170-N175 VanDerWaalsContact CA-O 3.32Å; G170-N175 WeakPolarHBondContact CA-O 3.45Å
171	S	93.5	Very high	90.9	Very high	98 Å²	98	93.5 Å²	93.5	69%	0.685	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.4	177.2	-60.2	0	0	0	0	112.6	A166 S169	A166-S171 PolarHBondContact O-N 3.12Å; S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 WeakPolarHBondContact OG-CB 3.24Å; S169-S171 PolarHBondContact OG-N 3.1Å; S169-S171 PolarHBondContact OG-OG 3.09Å
172	I	89.7	Confident	90.6	Very high	102 Å²	102	97 Å²	97	52%	0.523	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-42.5	174.8	-61.9	175.4	0	0	0	111.9	A166 L167 G170	A166-I172 HydrophobicContact CB-CD1 3.78Å; A166-I172 HydrophobicContact CB-CG1 3.8Å; A166-I172 PolarHBondContact O-N 2.9Å; L167-I172 HydrophobicContact CB-CD1 4.32Å; G170-I172 PolarHBondContact O-N 3.46Å
173	T	90.2	Very high	90.1	Very high	74 Å²	74	88.4 Å²	88.4	45%	0.454	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-6.2	-167.3	55.2	0	0	0	0	114	L167 G170 N175	L167-T173 HydrophobicContact CD1-CG2 3.86Å; G170-T173 PolarHBondContact O-N 2.77Å; T173-N175 PolarHBondContact O-N 3.33Å; T173-N175 PolarHBondContact OG1-N 3.45Å; T173-N175 PolarHBondContact OG1-O 3.34Å
174	G	92.6	Very high	89.5	Confident	62 Å²	62	92.8 Å²	92.8	64%	0.639	49%	0.485	S	S	*	.	S	Bend	trans	76.7	-8.5	-171.6	0	0	0	0	0	114.5	G170	G170-G174 VanDerWaalsContact O-CA 3.26Å; G170-G174 WeakPolarHBondContact O-CA 3.49Å; G170-G174 PolarHBondContact O-N 3.24Å
175	N	92.7	Very high	88.8	Confident	123 Å²	123	97.2 Å²	97.2	66%	0.658	51%	0.51	S	S	*	.	S	Bend	trans	-134.8	122.3	-178.4	-71.8	-56.1	0	0	0	110.8	G170 T173 V177	G170-N175 VanDerWaalsContact CA-C 3.44Å; G170-N175 VanDerWaalsContact CA-O 3.32Å; G170-N175 WeakPolarHBondContact CA-O 3.45Å; T173-N175 PolarHBondContact O-N 3.33Å; T173-N175 PolarHBondContact OG1-N 3.45Å; T173-N175 PolarHBondContact OG1-O 3.34Å; N175-V177 PolarHBondContact O-N 3.31Å
176	P	91.7	Very high	87.9	Confident	86 Å²	86	92.2 Å²	92.2	56%	0.558	50%	0.501	S	S	*	.			trans	-58.8	135.7	175.9	-20.7	29.3	0	0	0	111.9	F168 S169 R178	F168-P176 WeakPolarHBondContact O-CA 3.41Å; S169-P176 WeakPolarHBondContact O-CG 3.46Å; P176-R178 PolarHBondContact O-N 3.2Å
177	V	90.3	Very high	86.8	Confident	63 Å²	63	91.7 Å²	91.7	38%	0.382	50%	0.497	S	S	.	.			trans	-79.3	117.5	174	-178.1	0	0	0	0	108.2	F168 N175 L179	F168-V177 HydrophobicContact CD1-CB 3.99Å; F168-V177 HydrophobicContact CD1-CG1 4.28Å; F168-V177 HydrophobicContact CD1-CG2 4.34Å; F168-V177 PolarHBondContact O-N 3.01Å; N175-V177 PolarHBondContact O-N 3.31Å; V177-L179 HydrophobicContact CG1-CG 4.2Å; V177-L179 PolarHBondContact O-N 3.32Å
178	R	87.2	Confident	85.8	Confident	244 Å²	244	92.2 Å²	92.2	92%	0.921	50%	0.501	S	S	*	.			trans	-84	113.3	174.2	-64.1	-171	-176.3	-170	1.8	109.8	P176	P176-R178 PolarHBondContact O-N 3.2Å
179	L	86.7	Confident	85	Confident	100 Å²	100	94.2 Å²	94.2	52%	0.524	51%	0.51	S	S	.	.			trans	-104.5	137.9	178.4	-75.9	160.4	0	0	0	111	F168 V177	F168-L179 HydrophobicContact CD1-CD1 3.69Å; F168-L179 HydrophobicContact CD2-CD1 4.27Å; F168-L179 HydrophobicContact CE1-CD1 3.61Å; F168-L179 HydrophobicContact CE2-CD1 4.19Å; F168-L179 HydrophobicContact CG-CD1 4.04Å; F168-L179 HydrophobicContact CZ-CD1 3.86Å; V177-L179 HydrophobicContact CG1-CG 4.2Å; V177-L179 PolarHBondContact O-N 3.32Å
180	M	87.8	Confident	84.1	Confident	180 Å²	180	94.1 Å²	94.1	89%	0.887	50%	0.503	S	S	*	.			trans	-113.4	117.1	164.3	-177	179	72.1	0	0	108
181	I	86.1	Confident	83.1	Confident	71 Å²	71	94.4 Å²	94.4	36%	0.364	50%	0.503	S	S	.	.			trans	-115	112.3	178.5	-55.7	177.3	0	0	0	108.2	H192 F196	I181-H192 HydrophobicContact CG2-CB 3.77Å; I181-H192 VanDerWaalsContact CG2-ND1 3.26Å; I181-H192 WeakPolarHBondContact CG2-ND1 3.32Å; I181-F196 HydrophobicContact CD1-CB 3.63Å; I181-F196 HydrophobicContact CD1-CD1 3.84Å; I181-F196 HydrophobicContact CD1-CD2 3.66Å; I181-F196 HydrophobicContact CD1-CE1 4.39Å; I181-F196 HydrophobicContact CD1-CE2 4.24Å; I181-F196 HydrophobicContact CD1-CG 3.43Å; I181-F196 VanDerWaalsContact CD1-CG 3.43Å
182	D	85.2	Confident	82.2	Confident	109 Å²	109	92.2 Å²	92.2	58%	0.583	48%	0.482	S	S	*	.			trans	-104.8	108.8	177.1	-176.8	5.8	0	0	0	110.6	R184	D182-R184 VanDerWaalsContact C-N 3.27Å; D182-R184 WeakPolarHBondContact OD1-CA 3.38Å; D182-R184 PolarHBondContact OD1-N 3.28Å; D182-R184 WeakPolarHBondContact OD2-CG 3.46Å
183	G	81.7	Confident	81.5	Confident	10 Å²	10	93.4 Å²	93.4	10%	0.103	48%	0.483	C	S	.	.			trans	-79.6	-3.6	174	0	0	0	0	0	114.4	N185 G186	G183-N185 PolarHBondContact O-N 2.87Å; G183-N185 VanDerWaalsContact O-N 3.1Å; G183-G186 PolarHBondContact O-N 3.5Å
184	R	81.5	Confident	80.9	Confident	210 Å²	210	94.3 Å²	94.3	79%	0.792	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	33.4	-179	-59.9	-176	68.6	133.9	3.4	114.1	D182 G186	D182-R184 VanDerWaalsContact C-N 3.27Å; D182-R184 WeakPolarHBondContact OD1-CA 3.38Å; D182-R184 PolarHBondContact OD1-N 3.28Å; D182-R184 WeakPolarHBondContact OD2-CG 3.46Å; R184-G186 PolarHBondContact O-N 3.47Å; R184-G186 VanDerWaalsContact O-N 3.08Å
185	N	76.4	Confident	80	Confident	151 Å²	151	93.3 Å²	93.3	81%	0.807	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	22.6	-174	-61.1	-28.2	0	0	0	114.7	G183	G183-N185 PolarHBondContact O-N 2.87Å; G183-N185 VanDerWaalsContact O-N 3.1Å
186	G	73.9	Confident	79.2	Confident	33 Å²	33	92.3 Å²	92.3	34%	0.34	45%	0.451	S	S	.	.	S	Bend	trans	-92.7	179.3	173.4	0	0	0	0	0	112.2	G183 R184 N188 F189	G183-G186 PolarHBondContact O-N 3.5Å; R184-G186 PolarHBondContact O-N 3.47Å; R184-G186 VanDerWaalsContact O-N 3.08Å; G186-N188 PolarHBondContact O-N 2.75Å; G186-F189 VanDerWaalsContact O-CB 3.24Å; G186-F189 WeakPolarHBondContact O-CB 3.26Å; G186-F189 PolarHBondContact O-N 2.79Å
187	G	68	Low	78.1	Confident	9 Å²	9	90.6 Å²	90.6	9%	0.093	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.8	179.1	0	0	0	0	0	115.9	D19 F189	D19-G187 WeakPolarHBondContact O-CA 3.36Å; D19-G187 PolarHBondContact O-N 2.95Å; G187-F189 VanDerWaalsContact C-N 3.29Å
188	N	72.2	Confident	76.3	Confident	82 Å²	82	97.1 Å²	97.1	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-72.9	-21	172.7	-68.3	-17.7	0	0	0	113	T52 G186 E190 V191 H192	T52-N188 WeakPolarHBondContact CG2-OD1 3.18Å; G186-N188 PolarHBondContact O-N 2.75Å; N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.23Å; N188-V191 PolarHBondContact O-N 3.3Å; N188-H192 WeakPolarHBondContact O-CB 3.41Å; N188-H192 VanDerWaalsContact O-CG 3.23Å; N188-H192 PolarHBondContact O-N 3.47Å
189	F	74.7	Confident	75.7	Confident	106 Å²	106	89.8 Å²	89.8	47%	0.465	46%	0.463	S	S	.	.	H	α-helix	trans	-57.1	-45.6	-176.6	179.8	-95.9	0	0	0	111.8	G186 G187 V191 H192 F193	G186-F189 VanDerWaalsContact O-CB 3.24Å; G186-F189 WeakPolarHBondContact O-CB 3.26Å; G186-F189 PolarHBondContact O-N 2.79Å; G187-F189 VanDerWaalsContact C-N 3.29Å; F189-V191 PolarHBondContact O-N 3.11Å; F189-H192 PolarHBondContact O-N 3.34Å; F189-F193 VanDerWaalsContact O-CB 3.31Å; F189-F193 WeakPolarHBondContact O-CB 3.47Å; F189-F193 PolarHBondContact O-N 2.99Å
190	E	71.7	Confident	75.2	Confident	57 Å²	57	89.3 Å²	89.3	27%	0.266	46%	0.46	S	S	.	.	H	α-helix	trans	-67.2	-37.8	-179.6	-160.6	-175.9	158	0	0	112.1	V148 N188 K194	V148-E190 HydrophobicContact CG2-CB 4.33Å; V148-E190 HydrophobicContact CG2-CG 4.09Å; N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.23Å; E190-K194 HydrophobicContact CG-CD 4.24Å; E190-K194 WeakPolarHBondContact O-CB 3.26Å; E190-K194 PolarHBondContact O-N 3.18Å; E190-K194 WeakPolarHBondContact OE1-CE 3.32Å; E190-K194 IonicContact OE1-NZ 2.75Å; E190-K194 PolarHBondContact OE1-NZ 3.29Å
191	V	72.2	Confident	74.5	Confident	13 Å²	13	84.2 Å²	84.2	8%	0.079	44%	0.436	C	S	.	.	H	α-helix	trans	-63.7	-48.1	174.7	175.2	0	0	0	0	110.8	T52 V148 Y151 N188 F189 F193 K194 L195	T52-V191 HydrophobicContact CG2-CB 4.43Å; T52-V191 HydrophobicContact CG2-CG2 3.61Å; V148-V191 HydrophobicContact CG1-CB 4.44Å; V148-V191 HydrophobicContact CG1-CG2 4.19Å; V148-V191 HydrophobicContact CG2-CG2 3.9Å; Y151-V191 HydrophobicContact CD1-CG1 4.16Å; Y151-V191 HydrophobicContact CE1-CG1 4.34Å; N188-V191 PolarHBondContact O-N 3.3Å; F189-V191 PolarHBondContact O-N 3.11Å; V191-F193 PolarHBondContact O-N 2.94Å; V191-K194 PolarHBondContact O-N 3.49Å; V191-L195 HydrophobicContact CG1-CD1 3.52Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 VanDerWaalsContact O-CB 3.29Å; V191-L195 WeakPolarHBondContact O-CB 3.42Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 3.45Å
192	H	75	Confident	73.8	Confident	52 Å²	52	85 Å²	85	24%	0.241	44%	0.44	C	S	.	.	H	α-helix	trans	-61.2	-46.9	178.2	-67.2	172.1	0	0	0	111.3	I181 N188 F189 L195 F196	I181-H192 HydrophobicContact CG2-CB 3.77Å; I181-H192 VanDerWaalsContact CG2-ND1 3.26Å; I181-H192 WeakPolarHBondContact CG2-ND1 3.32Å; N188-H192 WeakPolarHBondContact O-CB 3.41Å; N188-H192 VanDerWaalsContact O-CG 3.23Å; N188-H192 PolarHBondContact O-N 3.47Å; F189-H192 PolarHBondContact O-N 3.34Å; H192-L195 PolarHBondContact O-N 3.4Å; H192-F196 WeakPolarHBondContact O-CB 3.42Å; H192-F196 PolarHBondContact O-N 3.49Å
193	F	74.4	Confident	73.1	Confident	127 Å²	127	83.5 Å²	83.5	56%	0.557	43%	0.431	S	S	*	.	H	α-helix	trans	-61.7	-47.8	-179.2	-169.5	-93.6	0	0	0	111.3	F189 V191 S197	F189-F193 VanDerWaalsContact O-CB 3.31Å; F189-F193 WeakPolarHBondContact O-CB 3.47Å; F189-F193 PolarHBondContact O-N 2.99Å; V191-F193 PolarHBondContact O-N 2.94Å; F193-S197 WeakPolarHBondContact O-CB 3.43Å; F193-S197 PolarHBondContact O-N 2.93Å; F193-S197 VanDerWaalsContact O-N 3.14Å; F193-S197 PolarHBondContact O-OG 3.46Å
194	K	77.4	Confident	72.5	Confident	93 Å²	93	88.4 Å²	88.4	40%	0.404	45%	0.453	S	S	.	.	H	α-helix	trans	-73.8	-27.4	-178.5	-75.5	175.1	168.4	171.8	0	114.2	D146 V148 E190 V191	D146-K194 IonicContact OD1-NZ 3.64Å; D146-K194 IonicContact OD2-NZ 2.77Å; D146-K194 PolarHBondContact OD2-NZ 3.26Å; V148-K194 HydrophobicContact CB-CD 3.75Å; V148-K194 HydrophobicContact CG1-CB 3.65Å; V148-K194 HydrophobicContact CG1-CD 3.51Å; V148-K194 HydrophobicContact CG1-CG 4.17Å; V148-K194 HydrophobicContact CG2-CD 4.2Å; E190-K194 HydrophobicContact CG-CD 4.24Å; E190-K194 WeakPolarHBondContact O-CB 3.26Å; E190-K194 PolarHBondContact O-N 3.18Å; E190-K194 WeakPolarHBondContact OE1-CE 3.32Å; E190-K194 IonicContact OE1-NZ 2.75Å; E190-K194 PolarHBondContact OE1-NZ 3.29Å; V191-K194 PolarHBondContact O-N 3.49Å
195	L	74.2	Confident	71.8	Confident	40 Å²	40	79.7 Å²	79.7	21%	0.209	43%	0.429	C	S	.	.	H	α-helix	trans	-88.4	-33	-178.3	-72.4	176.2	0	0	0	114.3	Y151 F161 V191 H192	Y151-L195 HydrophobicContact CD1-CD1 4.27Å; Y151-L195 HydrophobicContact CE1-CD1 4.4Å; F161-L195 HydrophobicContact CE2-CD2 4.4Å; V191-L195 HydrophobicContact CG1-CD1 3.52Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 VanDerWaalsContact O-CB 3.29Å; V191-L195 WeakPolarHBondContact O-CB 3.42Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 3.45Å; H192-L195 PolarHBondContact O-N 3.4Å
196	F	74	Confident	71.5	Confident	102 Å²	102	74.2 Å²	74.2	45%	0.447	40%	0.4	S	S	.	.	H	α-helix	trans	-110.6	-6.2	-173.1	-64.9	-82.9	0	0	0	113.8	I181 H192	I181-F196 HydrophobicContact CD1-CB 3.63Å; I181-F196 HydrophobicContact CD1-CD1 3.84Å; I181-F196 HydrophobicContact CD1-CD2 3.66Å; I181-F196 HydrophobicContact CD1-CE1 4.39Å; I181-F196 HydrophobicContact CD1-CE2 4.24Å; I181-F196 HydrophobicContact CD1-CG 3.43Å; I181-F196 VanDerWaalsContact CD1-CG 3.43Å; H192-F196 WeakPolarHBondContact O-CB 3.42Å; H192-F196 PolarHBondContact O-N 3.49Å
197	S	70.3	Confident	71.3	Confident	50 Å²	50	77.7 Å²	77.7	35%	0.35	41%	0.405	S	S	.	.			trans	-74.1	144.2	168.8	-59.9	0	0	0	0	110.3	F193	F193-S197 WeakPolarHBondContact O-CB 3.43Å; F193-S197 PolarHBondContact O-N 2.93Å; F193-S197 VanDerWaalsContact O-N 3.14Å; F193-S197 PolarHBondContact O-OG 3.46Å
198	P	51.3	Low	71.6	Confident	201 Å²	201	83.9 Å²	83.9	100%	1.305	43%	0.433	S	S	*	.			trans	-62.7	0	178.5	25.7	-33.5	0	0	0	113.5

Retrieved 198 of 198 residues in 104.1 ms (Link to these results)

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