A0A061HUG1_CRIGR Loading...

Ras-related protein Rap-2

Small GTP-binding protein which cycles between a GDP-bound inactive and a GTP-bound active form.

AlphaFold DB (Q8BU31), UniProt , Accession A0A061HUG1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rap2c, Length 183 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	83	Confident	96.3	Very high	131 Å²	131	40 Å²	40	65%	0.645	18%	0.183	S	C	*	.				0	135.6	0	-160.6	178.3	-73.7	0	0	107.4	P50 V52	M1-P50 HydrophobicContact CE-CB 3.8Å; M1-P50 HydrophobicContact CG-CB 4.29Å; M1-P50 WeakPolarHBondContact CG-O 3.38Å; M1-P50 HydrophobicContact SD-CB 4.3Å; M1-V52 HydrophobicContact CB-CG2 4.48Å; M1-V52 HydrophobicContact CG-CG2 4.18Å; M1-V52 HydrophobicContact SD-CG2 3.5Å; M1-V52 WeakPolarHBondContact SD-CG2 3.42Å
2	R	93.4	Very high	96.2	Very high	103 Å²	103	39.4 Å²	39.4	39%	0.389	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.7	178.8	-176.7	165	169.7	-176.5	9.1	108.9	Y4 S51 V52 N165 S168	R2-Y4 HydrophobicContact CB-CE2 3.99Å; R2-Y4 WeakPolarHBondContact CD-OH 3.47Å; R2-Y4 HydrophobicContact CG-CD2 4.42Å; R2-Y4 HydrophobicContact CG-CE1 4.18Å; R2-Y4 HydrophobicContact CG-CE2 3.75Å; R2-S51 WeakPolarHBondContact O-CA 3.5Å; R2-V52 PolarHBondContact O-N 3.02Å; R2-N165 PolarHBondContact NH1-OD1 3.27Å; R2-S168 PolarHBondContact NH1-OG 2.99Å; R2-S168 PolarHBondContact NH2-OG 3.29Å
3	E	96.4	Very high	96.2	Very high	89 Å²	89	38.5 Å²	38.5	42%	0.416	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.5	176.4	-53.9	-165.1	142.2	0	0	109.8	R41 V52	E3-R41 IonicContact OE1-CZ 2.7Å; E3-R41 IonicContact OE1-NH2 3.87Å; E3-R41 PolarHBondContact OE1-NH2 3.24Å; E3-V52 CarbonylContact C-O 3.59Å; E3-V52 WeakPolarHBondContact CA-O 3.46Å; E3-V52 HydrophobicContact CG-CB 4.13Å
4	Y	98	Very high	96.3	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.3	178.2	-58.3	-93.4	0	0	0	110.3	R2 S51 V52 E54 V161 M164 N165	R2-Y4 HydrophobicContact CB-CE2 3.99Å; R2-Y4 WeakPolarHBondContact CD-OH 3.47Å; R2-Y4 HydrophobicContact CG-CD2 4.42Å; R2-Y4 HydrophobicContact CG-CE1 4.18Å; R2-Y4 HydrophobicContact CG-CE2 3.75Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.33Å; Y4-V52 PolarHBondContact N-O 3.03Å; Y4-E54 PolarHBondContact O-N 2.73Å; Y4-V161 HydrophobicContact CD1-CG1 4.46Å; Y4-V161 HydrophobicContact CD2-CG1 4.02Å; Y4-V161 HydrophobicContact CD2-CG2 4.28Å; Y4-V161 HydrophobicContact CE1-CG1 4.16Å; Y4-V161 HydrophobicContact CE2-CG1 3.72Å; Y4-V161 HydrophobicContact CG-CG1 4.38Å; Y4-V161 HydrophobicContact CG-CG2 4.29Å; Y4-M164 HydrophobicContact CD1-CB 3.73Å; Y4-M164 HydrophobicContact CD1-CE 3.88Å; Y4-M164 HydrophobicContact CD1-CG 4.48Å; Y4-M164 HydrophobicContact CD1-SD 3.99Å; Y4-M164 HydrophobicContact CE1-CB 4.05Å; Y4-M164 HydrophobicContact CG-CE 3.98Å; Y4-M164 HydrophobicContact CG-SD 4.45Å; Y4-N165 VanDerWaalsContact OH-CG 3.28Å; Y4-N165 PolarHBondContact OH-ND2 2.74Å; Y4-N165 VanDerWaalsContact OH-ND2 3.13Å; Y4-N165 PolarHBondContact OH-OD1 3.08Å
5	K	98.5	Very high	96.4	Very high	91 Å²	91	34.5 Å²	34.5	40%	0.396	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.9	177.3	-52	-168.1	-175.7	-118.6	0	109.7	E54 Q76 G77	K5-E54 CarbonylContact C-O 3.53Å; K5-E54 WeakPolarHBondContact CA-O 3.42Å; K5-E54 WeakPolarHBondContact CD-OE2 3.21Å; K5-E54 VanDerWaalsContact CE-OE2 3.26Å; K5-E54 WeakPolarHBondContact CE-OE2 3.46Å; K5-E54 HydrophobicContact CG-CB 4.37Å; K5-E54 IonicContact NZ-OE2 2.73Å; K5-E54 PolarHBondContact NZ-OE2 3.1Å; K5-Q76 HydrophobicContact CB-CG 4.41Å; K5-Q76 WeakPolarHBondContact O-CA 3.47Å; K5-Q76 WeakPolarHBondContact O-CB 3.29Å; K5-Q76 PolarHBondContact O-N 3.3Å; K5-G77 PolarHBondContact O-N 2.82Å; K5-G77 VanDerWaalsContact O-N 3.1Å
6	V	98.7	Very high	96.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.7	174.9	63.1	0	0	0	0	110.4	L53 E54 I55 L56 G77 I79 I160	V6-L53 HydrophobicContact CB-CD1 4.12Å; V6-L53 HydrophobicContact CG1-CD1 3.64Å; V6-L53 HydrophobicContact CG1-CD2 4.16Å; V6-L53 HydrophobicContact CG1-CG 3.95Å; V6-E54 WeakPolarHBondContact CG1-O 3.5Å; V6-E54 PolarHBondContact N-O 2.95Å; V6-I55 HydrophobicContact CG1-CB 4.04Å; V6-I55 HydrophobicContact CG1-CG1 3.69Å; V6-I55 HydrophobicContact CG1-CG2 4.04Å; V6-L56 PolarHBondContact O-N 3.4Å; V6-G77 CarbonylContact C-O 3.48Å; V6-G77 WeakPolarHBondContact CA-O 3.36Å; V6-I79 HydrophobicContact CG2-CD1 3.84Å; V6-I79 HydrophobicContact CG2-CG1 3.78Å; V6-I160 HydrophobicContact CB-CG1 4.45Å; V6-I160 HydrophobicContact CB-CG2 4.47Å; V6-I160 HydrophobicContact CG2-CG1 3.72Å; V6-I160 HydrophobicContact CG2-CG2 4.15Å
7	V	98.7	Very high	96.6	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	172.6	-171.4	0	0	0	0	108.7	L9 L56 T58 G77 F78 I79	V7-L9 HydrophobicContact CG1-CD1 4.33Å; V7-L9 HydrophobicContact CG1-CD2 4.1Å; V7-L9 HydrophobicContact CG1-CG 3.91Å; V7-L56 HydrophobicContact CG1-CB 4.47Å; V7-L56 HydrophobicContact CG1-CD2 4.25Å; V7-L56 HydrophobicContact CG1-CG 4.29Å; V7-L56 HydrophobicContact CG2-CB 4.34Å; V7-L56 HydrophobicContact CG2-CD2 4.26Å; V7-T58 HydrophobicContact CG1-CG2 3.7Å; V7-G77 PolarHBondContact N-O 2.97Å; V7-F78 HydrophobicContact CB-CD1 3.95Å; V7-F78 HydrophobicContact CB-CE1 4Å; V7-F78 HydrophobicContact CG2-CD1 4.45Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 WeakPolarHBondContact O-CA 3.31Å; V7-I79 PolarHBondContact O-N 3Å
8	V	98.8	Very high	96.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120	176	-168.5	0	0	0	0	108.7	K16 I55 L56 T58 I79 V81	V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.15Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; V8-I55 HydrophobicContact CG2-CG2 3.71Å; V8-L56 PolarHBondContact N-O 3.05Å; V8-T58 PolarHBondContact O-OG1 3.12Å; V8-I79 HydrophobicContact CG1-CB 4.39Å; V8-I79 HydrophobicContact CG1-CG2 4.34Å; V8-I79 HydrophobicContact CG2-CB 4.46Å; V8-I79 HydrophobicContact CG2-CD1 4.43Å; V8-V81 HydrophobicContact CG1-CG2 3.78Å
9	L	98.4	Very high	96.8	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.3	-173.8	-70	168.9	0	0	0	110.7	V7 K16 T58 R68 I72 F78 I79 L80 V81 I100	V7-L9 HydrophobicContact CG1-CD1 4.33Å; V7-L9 HydrophobicContact CG1-CD2 4.1Å; V7-L9 HydrophobicContact CG1-CG 3.91Å; L9-K16 VanDerWaalsContact C-CD 3.45Å; L9-T58 HydrophobicContact CD2-CG2 4.23Å; L9-R68 HydrophobicContact CD2-CG 3.9Å; L9-I72 HydrophobicContact CD1-CD1 4.49Å; L9-I72 HydrophobicContact CD1-CG1 4.14Å; L9-F78 HydrophobicContact CD1-CD1 4.03Å; L9-I79 PolarHBondContact N-O 3.05Å; L9-L80 HydrophobicContact CB-CD2 3.74Å; L9-V81 PolarHBondContact O-N 2.74Å; L9-I100 HydrophobicContact CD1-CD1 3.83Å; L9-I100 HydrophobicContact CD1-CG1 4.12Å
10	G	98.3	Very high	96.9	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.021	16%	0.163	C	C	.	.			trans	143.6	163.7	-176.7	0	0	0	0	0	112.3	K16 G60 V81	G10-K16 WeakPolarHBondContact O-CE 3.33Å; G10-K16 PolarHBondContact O-NZ 3.5Å; G10-G60 VanDerWaalsContact O-CA 3.25Å; G10-G60 WeakPolarHBondContact O-CA 3.37Å; G10-V81 WeakPolarHBondContact CA-O 3.3Å
11	S	97.1	Very high	97	Very high	13 Å²	13	28.7 Å²	28.7	9%	0.091	16%	0.162	C	C	.	.			trans	-59.1	168.1	-175.9	-52.4	0	0	0	0	113.6	V14 K16 G60 D92	S11-V14 VanDerWaalsContact O-CG2 3.28Å; S11-V14 WeakPolarHBondContact O-CG2 3.5Å; S11-K16 PolarHBondContact O-NZ 3.29Å; S11-K16 VanDerWaalsContact O-NZ 3.11Å; S11-G60 CarbonylContact C-O 3.6Å; S11-D92 WeakPolarHBondContact OG-CB 3.26Å; S11-D92 PolarHBondContact OG-OD2 2.89Å
12	G	95.5	Very high	97.7	Very high	33 Å²	33	23 Å²	23	34%	0.34	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	144.4	172.6	0	0	0	0	0	111.7	V14 G60	G12-V14 PolarHBondContact O-N 2.69Å; G12-G60 PolarHBondContact N-O 2.97Å
13	G	95.6	Very high	97.9	Very high	28 Å²	28	18.5 Å²	18.5	29%	0.289	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	3.5	174	0	0	0	0	0	117.2	G15 Y32 K117	G13-G15 PolarHBondContact O-N 2.96Å; G13-Y32 PolarHBondContact N-OH 3.33Å; G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.32Å; G13-K117 PolarHBondContact O-NZ 3.5Å
14	V	97.9	Very high	98	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.012	11%	0.109	C	C	.	.	S	Bend	trans	-72.3	-16.9	178.2	-56.7	0	0	0	0	113.4	S11 G12 K16 V81 N116	S11-V14 VanDerWaalsContact O-CG2 3.28Å; S11-V14 WeakPolarHBondContact O-CG2 3.5Å; G12-V14 PolarHBondContact O-N 2.69Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.63Å; V14-V81 HydrophobicContact CB-CG1 4.27Å; V14-V81 HydrophobicContact CG2-CB 3.95Å; V14-V81 HydrophobicContact CG2-CG1 3.82Å; V14-N116 PolarHBondContact O-ND2 3.37Å
15	G	98.2	Very high	97.9	Very high	15 Å²	15	19.7 Å²	19.7	16%	0.155	13%	0.13	C	C	.	.	S	Bend	trans	101.5	24.6	176.2	0	0	0	0	0	115.7	G13 A18 L19	G13-G15 PolarHBondContact O-N 2.96Å; G15-A18 PolarHBondContact O-N 2.59Å; G15-L19 WeakPolarHBondContact O-CG 3.47Å; G15-L19 PolarHBondContact O-N 2.85Å
16	K	98.4	Very high	97.8	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-51.8	-56.9	174.2	-56.9	-170.9	-58	-72.5	0	112.3	V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 G60 V81	V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.15Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; L9-K16 VanDerWaalsContact C-CD 3.45Å; G10-K16 WeakPolarHBondContact O-CE 3.33Å; G10-K16 PolarHBondContact O-NZ 3.5Å; S11-K16 PolarHBondContact O-NZ 3.29Å; S11-K16 VanDerWaalsContact O-NZ 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.36Å; V14-K16 HydrophobicContact CG2-CG 3.63Å; K16-A18 VanDerWaalsContact C-N 3.32Å; K16-A18 PolarHBondContact O-N 3.31Å; K16-L19 PolarHBondContact O-N 3.11Å; K16-T20 PolarHBondContact O-N 3.25Å; K16-T20 PolarHBondContact O-OG1 2.87Å; K16-T20 VanDerWaalsContact O-OG1 3.08Å; K16-D57 WeakPolarHBondContact CB-OD1 3.42Å; K16-T58 WeakPolarHBondContact CE-O 3.41Å; K16-T58 PolarHBondContact NZ-O 2.88Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å; K16-V81 HydrophobicContact CG-CB 4.21Å; K16-V81 HydrophobicContact CG-CG2 4.29Å
17	S	98	Very high	97.6	Very high	28 Å²	28	20.8 Å²	20.8	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-38.4	178.5	-39.7	0	0	0	0	112.2	T20 V21 T35 D57	S17-T20 PolarHBondContact O-N 2.89Å; S17-V21 WeakPolarHBondContact O-CB 3.41Å; S17-V21 VanDerWaalsContact O-CG2 3.28Å; S17-V21 WeakPolarHBondContact O-CG2 3.26Å; S17-V21 PolarHBondContact O-N 3.36Å; S17-T35 PolarHBondContact OG-OG1 3.21Å; S17-D57 WeakPolarHBondContact CA-OD2 3.5Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact OG-OD2 3.05Å
18	A	98.3	Very high	97.4	Very high	26 Å²	26	24 Å²	24	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-42.1	176.4	0	0	0	0	0	111.9	G15 K16 Q22 F28 A147	G15-A18 PolarHBondContact O-N 2.59Å; K16-A18 VanDerWaalsContact C-N 3.32Å; K16-A18 PolarHBondContact O-N 3.31Å; A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.27Å; A18-F28 HydrophobicContact CB-CD2 4.29Å; A18-F28 HydrophobicContact CB-CE2 3.98Å; A18-A147 HydrophobicContact CB-CB 3.61Å
19	L	98.8	Very high	97	Very high	1 Å²	1	29 Å²	29	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-46.9	173.6	-72.3	169.3	0	0	0	111.2	G15 K16 Q22 F23 V81 V114 N116 A147 V153 L156	G15-L19 WeakPolarHBondContact O-CG 3.47Å; G15-L19 PolarHBondContact O-N 2.85Å; K16-L19 PolarHBondContact O-N 3.11Å; L19-Q22 PolarHBondContact O-N 2.71Å; L19-F23 WeakPolarHBondContact O-CB 3.27Å; L19-F23 PolarHBondContact O-N 3.42Å; L19-V81 HydrophobicContact CD1-CG1 3.99Å; L19-V81 HydrophobicContact CD1-CG2 4.12Å; L19-V114 HydrophobicContact CD1-CG1 4.38Å; L19-N116 HydrophobicContact CD1-CB 4.26Å; L19-A147 HydrophobicContact CD2-CB 3.94Å; L19-A147 HydrophobicContact CG-CB 4.14Å; L19-V153 HydrophobicContact CD2-CG2 3.8Å; L19-L156 HydrophobicContact CD1-CD2 4.31Å
20	T	98.5	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-49.4	-179.6	-57.9	0	0	0	0	111.7	K16 S17 F23 V24 Y40 I55 D57	K16-T20 PolarHBondContact O-N 3.25Å; K16-T20 PolarHBondContact O-OG1 2.87Å; K16-T20 VanDerWaalsContact O-OG1 3.08Å; S17-T20 PolarHBondContact O-N 2.89Å; T20-F23 PolarHBondContact O-N 2.93Å; T20-V24 HydrophobicContact CG2-CG2 4.4Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 VanDerWaalsContact O-CG2 3.23Å; T20-V24 WeakPolarHBondContact O-CG2 3.18Å; T20-V24 PolarHBondContact O-N 3.44Å; T20-Y40 HydrophobicContact CG2-CD2 3.33Å; T20-Y40 HydrophobicContact CG2-CE2 3.69Å; T20-Y40 HydrophobicContact CG2-CG 3.81Å; T20-I55 HydrophobicContact CG2-CB 4.28Å; T20-I55 HydrophobicContact CG2-CD1 4.31Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; T20-D57 HydrophobicContact CG2-CB 4.48Å
21	V	97.7	Very high	96	Very high	21 Å²	21	44.5 Å²	44.5	13%	0.127	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-42	178.9	172.8	0	0	0	0	110.9	S17 F23 V24 T25 I29 Y40	S17-V21 WeakPolarHBondContact O-CB 3.41Å; S17-V21 VanDerWaalsContact O-CG2 3.28Å; S17-V21 WeakPolarHBondContact O-CG2 3.26Å; S17-V21 PolarHBondContact O-N 3.36Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3Å; V21-V24 PolarHBondContact O-N 3.45Å; V21-T25 HydrophobicContact CG1-CG2 4.23Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.41Å; V21-T25 WeakPolarHBondContact O-CB 3.2Å; V21-T25 PolarHBondContact O-N 3.26Å; V21-T25 PolarHBondContact O-OG1 3.42Å; V21-I29 HydrophobicContact CG1-CD1 4.2Å; V21-Y40 HydrophobicContact CG2-CE1 4.28Å
22	Q	98.1	Very high	95.3	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-40.2	176.7	-178.5	70.4	-59.3	0	0	111.2	A18 L19 G26 T27 A147 K150 V153	A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.27Å; L19-Q22 PolarHBondContact O-N 2.71Å; Q22-G26 WeakPolarHBondContact O-CA 3.02Å; Q22-G26 PolarHBondContact O-N 3.05Å; Q22-G26 PolarHBondContact OE1-O 3.47Å; Q22-T27 WeakPolarHBondContact CA-O 3.44Å; Q22-T27 VanDerWaalsContact OE1-CA 3.29Å; Q22-T27 PolarHBondContact OE1-O 2.73Å; Q22-A147 WeakPolarHBondContact CG-O 3.22Å; Q22-A147 PolarHBondContact NE2-O 3.21Å; Q22-K150 HydrophobicContact CG-CB 4.18Å; Q22-K150 HydrophobicContact CG-CD 4.43Å; Q22-K150 HydrophobicContact CG-CG 3.85Å; Q22-V153 HydrophobicContact CB-CG1 4.42Å; Q22-V153 HydrophobicContact CG-CG1 4.24Å; Q22-V153 HydrophobicContact CG-CG2 4.34Å
23	F	98.6	Very high	94.9	Very high	9 Å²	9	54 Å²	54	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-50	173.8	176.9	-114.7	0	0	0	112	L19 T20 V21 K42 I44 L53 I55 V153 D154 F157	L19-F23 WeakPolarHBondContact O-CB 3.27Å; L19-F23 PolarHBondContact O-N 3.42Å; T20-F23 PolarHBondContact O-N 2.93Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3Å; F23-K42 HydrophobicContact CD1-CD 4.09Å; F23-K42 HydrophobicContact CE1-CB 4.32Å; F23-K42 HydrophobicContact CE1-CD 3.7Å; F23-K42 HydrophobicContact CE1-CG 4.35Å; F23-K42 HydrophobicContact CZ-CD 3.94Å; F23-K42 PolarHBondContact O-NZ 2.88Å; F23-I44 HydrophobicContact CE1-CG2 4.19Å; F23-I44 HydrophobicContact CZ-CG2 3.66Å; F23-L53 HydrophobicContact CE1-CD2 4.24Å; F23-I55 HydrophobicContact CD1-CD1 3.66Å; F23-I55 HydrophobicContact CE1-CD1 3.9Å; F23-V153 HydrophobicContact CB-CG1 3.83Å; F23-D154 VanDerWaalsContact CD2-OD1 3.3Å; F23-D154 WeakPolarHBondContact CD2-OD1 3.49Å; F23-F157 HydrophobicContact CB-CD2 3.44Å; F23-F157 VanDerWaalsContact CB-CD2 3.44Å; F23-F157 HydrophobicContact CB-CE2 3.4Å; F23-F157 HydrophobicContact CB-CG 4.31Å; F23-F157 HydrophobicContact CB-CZ 4.22Å; F23-F157 HydrophobicContact CD1-CB 4.04Å; F23-F157 HydrophobicContact CD1-CD1 4.03Å; F23-F157 AromaticContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CE1 4.41Å; F23-F157 HydrophobicContact CD1-CE2 4.1Å; F23-F157 AromaticContact CD1-CG 3.64Å; F23-F157 HydrophobicContact CD1-CG 3.64Å; F23-F157 HydrophobicContact CD1-CZ 4.44Å; F23-F157 HydrophobicContact CD2-CB 3.85Å; F23-F157 AromaticContact CD2-CD2 3.57Å; F23-F157 HydrophobicContact CD2-CD2 3.57Å; F23-F157 HydrophobicContact CD2-CE2 4.41Å; F23-F157 AromaticContact CD2-CG 3.94Å; F23-F157 HydrophobicContact CD2-CG 3.94Å; F23-F157 HydrophobicContact CE1-CB 3.74Å; F23-F157 HydrophobicContact CE1-CD1 4.2Å; F23-F157 HydrophobicContact CE1-CD2 4.28Å; F23-F157 AromaticContact CE1-CG 3.82Å; F23-F157 HydrophobicContact CE1-CG 3.82Å; F23-F157 HydrophobicContact CE2-CB 3.56Å; F23-F157 HydrophobicContact CE2-CD2 4.2Å; F23-F157 HydrophobicContact CE2-CG 4.12Å; F23-F157 HydrophobicContact CG-CB 4.08Å; F23-F157 HydrophobicContact CG-CD1 4.46Å; F23-F157 AromaticContact CG-CD2 3.26Å; F23-F157 HydrophobicContact CG-CD2 3.26Å; F23-F157 AromaticContact CG-CE2 3.73Å; F23-F157 HydrophobicContact CG-CE2 3.73Å; F23-F157 AromaticContact CG-CG 3.69Å; F23-F157 HydrophobicContact CG-CG 3.69Å; F23-F157 HydrophobicContact CG-CZ 4.48Å; F23-F157 HydrophobicContact CZ-CB 3.48Å; F23-F157 VanDerWaalsContact CZ-CB 3.48Å; F23-F157 HydrophobicContact CZ-CG 4.05Å
24	V	97.9	Very high	94.8	Very high	42 Å²	42	56.5 Å²	56.5	26%	0.255	31%	0.306	S	S	.	.	H	α-helix	trans	-71.2	-40.4	-172.1	174.8	0	0	0	0	112	T20 V21 Y40 I55	T20-V24 HydrophobicContact CG2-CG2 4.4Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 VanDerWaalsContact O-CG2 3.23Å; T20-V24 WeakPolarHBondContact O-CG2 3.18Å; T20-V24 PolarHBondContact O-N 3.44Å; V21-V24 PolarHBondContact O-N 3.45Å; V24-Y40 HydrophobicContact CB-CD1 4.32Å; V24-Y40 HydrophobicContact CG1-CD1 4.12Å; V24-Y40 HydrophobicContact CG2-CD1 4.11Å; V24-Y40 HydrophobicContact CG2-CG 4.14Å; V24-I55 HydrophobicContact CG2-CD1 4.07Å
25	T	96.1	Very high	94.4	Very high	75 Å²	75	57.4 Å²	57.4	46%	0.46	31%	0.311	S	S	.	.	H	α-helix	trans	-111.4	-16.2	-169.3	71.5	0	0	0	0	113.9	V21 T27	V21-T25 HydrophobicContact CG1-CG2 4.23Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.41Å; V21-T25 WeakPolarHBondContact O-CB 3.2Å; V21-T25 PolarHBondContact O-N 3.26Å; V21-T25 PolarHBondContact O-OG1 3.42Å; T25-T27 PolarHBondContact O-N 2.92Å; T25-T27 PolarHBondContact OG1-N 2.94Å; T25-T27 VanDerWaalsContact OG1-N 3.16Å; T25-T27 PolarHBondContact OG1-OG1 3.44Å
26	G	96.3	Very high	94	Very high	43 Å²	43	61.2 Å²	61.2	44%	0.443	33%	0.327	S	S	.	.	S	Bend	trans	69.6	16.8	-170.8	0	0	0	0	0	113.8	Q22	Q22-G26 WeakPolarHBondContact O-CA 3.02Å; Q22-G26 PolarHBondContact O-N 3.05Å; Q22-G26 PolarHBondContact OE1-O 3.47Å
27	T	94.8	Very high	93.8	Very high	72 Å²	72	64.7 Å²	64.7	44%	0.442	34%	0.344	S	S	.	.			trans	-119.5	141.3	178.3	70.2	0	0	0	0	112.8	Q22 T25	Q22-T27 WeakPolarHBondContact CA-O 3.44Å; Q22-T27 VanDerWaalsContact OE1-CA 3.29Å; Q22-T27 PolarHBondContact OE1-O 2.73Å; T25-T27 PolarHBondContact O-N 2.92Å; T25-T27 PolarHBondContact OG1-N 2.94Å; T25-T27 VanDerWaalsContact OG1-N 3.16Å; T25-T27 PolarHBondContact OG1-OG1 3.44Å
28	F	94.6	Very high	93.8	Very high	72 Å²	72	66.7 Å²	66.7	32%	0.316	35%	0.352	S	S	.	.			trans	-103.2	123.2	169.7	178	-105.2	0	0	0	109.7	A18 E30 A147 K148	A18-F28 HydrophobicContact CB-CD2 4.29Å; A18-F28 HydrophobicContact CB-CE2 3.98Å; F28-E30 HydrophobicContact CD1-CG 4.15Å; F28-E30 HydrophobicContact CE1-CB 4.44Å; F28-E30 HydrophobicContact CE1-CG 3.89Å; F28-A147 HydrophobicContact CD2-CB 4.11Å; F28-A147 HydrophobicContact CE2-CB 4.12Å; F28-K148 HydrophobicContact CD1-CB 4.35Å; F28-K148 HydrophobicContact CD1-CG 4.03Å; F28-K148 HydrophobicContact CD2-CB 4.38Å; F28-K148 HydrophobicContact CE1-CB 4.11Å; F28-K148 HydrophobicContact CE1-CD 4.45Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4.15Å; F28-K148 HydrophobicContact CG-CB 4.47Å; F28-K148 HydrophobicContact CZ-CB 4.02Å; F28-K148 HydrophobicContact CZ-CG 4.22Å
29	I	90.3	Very high	93.7	Very high	105 Å²	105	72.3 Å²	72.3	54%	0.538	37%	0.372	S	S	.	.			trans	-100.8	116.1	176.8	-58.4	174.3	0	0	0	107.9	V21 K31	V21-I29 HydrophobicContact CG1-CD1 4.2Å; I29-K31 VanDerWaalsContact C-N 3.28Å; I29-K31 HydrophobicContact CG2-CB 4.22Å; I29-K31 PolarHBondContact O-N 3.31Å
30	E	87.5	Confident	93.7	Very high	161 Å²	161	75.1 Å²	75.1	75%	0.752	38%	0.383	S	S	*	.			trans	-68.3	-28.3	-177.8	-59.2	-166.8	153.6	0	0	113	F28 Y32	F28-E30 HydrophobicContact CD1-CG 4.15Å; F28-E30 HydrophobicContact CE1-CB 4.44Å; F28-E30 HydrophobicContact CE1-CG 3.89Å; E30-Y32 PolarHBondContact O-N 2.7Å
31	K	87.7	Confident	93.7	Very high	169 Å²	169	82.1 Å²	82.1	74%	0.735	41%	0.409	S	S	*	.	S	Bend	trans	-71.4	123.1	179.8	-172.9	-174.7	176.4	-166.2	0	110.1	I29	I29-K31 VanDerWaalsContact C-N 3.28Å; I29-K31 HydrophobicContact CG2-CB 4.22Å; I29-K31 PolarHBondContact O-N 3.31Å
32	Y	81.6	Confident	93.7	Very high	132 Å²	132	83.8 Å²	83.8	52%	0.518	42%	0.415	S	S	.	.			trans	-86.4	128.1	171.4	-178.9	-118.6	0	0	0	111.3	G13 E30 P34	G13-Y32 PolarHBondContact N-OH 3.33Å; E30-Y32 PolarHBondContact O-N 2.7Å; Y32-P34 HydrophobicContact CE1-CG 3.94Å
33	D	88.8	Confident	93.7	Very high	115 Å²	115	90 Å²	90	62%	0.615	44%	0.444	S	S	*	.			trans	-128.9	124.6	168.2	-162.7	-2.7	0	0	0	108.4	T35	D33-T35 PolarHBondContact O-N 3.06Å; D33-T35 VanDerWaalsContact O-N 3.12Å
34	P	92	Very high	93.6	Very high	79 Å²	79	90.6 Å²	90.6	51%	0.513	45%	0.448	S	S	.	.			trans	-60.7	113.5	177.6	-25.2	35.1	0	0	0	112.7	Y32	Y32-P34 HydrophobicContact CE1-CG 3.94Å
35	T	90.5	Very high	93.6	Very high	21 Å²	21	95 Å²	95	13%	0.129	47%	0.465	C	S	.	.			trans	-67.1	142.8	173.1	-55	0	0	0	0	111.8	S17 D33 D38 A59	S17-T35 PolarHBondContact OG-OG1 3.21Å; D33-T35 PolarHBondContact O-N 3.06Å; D33-T35 VanDerWaalsContact O-N 3.12Å; T35-D38 HydrophobicContact CG2-CB 4.4Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.43Å; T35-A59 WeakPolarHBondContact O-CA 2.91Å; T35-A59 VanDerWaalsContact O-CB 3.24Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å
36	I	90	Very high	93.6	Very high	96 Å²	96	91.7 Å²	91.7	49%	0.492	45%	0.445	S	S	.	.	S	Bend	trans	-89.5	-64.9	163.9	-63.7	179.6	0	0	0	108.5	A59 F64	I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.22Å; I36-A59 PolarHBondContact O-N 3.13Å; I36-F64 HydrophobicContact CB-CE1 4.48Å; I36-F64 HydrophobicContact CB-CZ 4.26Å; I36-F64 HydrophobicContact CD1-CZ 4.1Å; I36-F64 HydrophobicContact CG1-CE1 4.37Å; I36-F64 HydrophobicContact CG1-CE2 4.19Å; I36-F64 HydrophobicContact CG1-CZ 3.74Å; I36-F64 HydrophobicContact CG2-CD1 4.08Å; I36-F64 HydrophobicContact CG2-CE1 3.58Å; I36-F64 HydrophobicContact CG2-CZ 3.83Å
37	E	93.8	Very high	93.5	Very high	82 Å²	82	94.4 Å²	94.4	38%	0.383	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	144.6	166.6	60.7	179.1	-168.9	0	0	108	F39 L56 D57 Y71	E37-F39 HydrophobicContact CG-CE2 4.43Å; E37-L56 HydrophobicContact CB-CD1 4.17Å; E37-D57 CarbonylContact C-O 3.43Å; E37-D57 VanDerWaalsContact CA-O 3.26Å; E37-D57 WeakPolarHBondContact CA-O 3.36Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.44Å; E37-Y71 PolarHBondContact OE2-OH 2.92Å; E37-Y71 VanDerWaalsContact OE2-OH 3.11Å
38	D	97	Very high	93.5	Very high	70 Å²	70	95.9 Å²	95.9	37%	0.374	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.5	172.8	-77.6	-56.5	0	0	0	109.5	T35 Y40 D57	T35-D38 HydrophobicContact CG2-CB 4.4Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.43Å; D38-Y40 HydrophobicContact CB-CD2 4.33Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-D57 HydrophobicContact CB-CB 4.39Å; D38-D57 PolarHBondContact N-O 2.97Å; D38-D57 PolarHBondContact O-N 3.15Å
39	F	97.6	Very high	93.5	Very high	144 Å²	144	95.2 Å²	95.2	63%	0.632	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.8	179.3	-70.6	-90.2	0	0	0	110.4	E37 L56	E37-F39 HydrophobicContact CG-CE2 4.43Å; F39-L56 HydrophobicContact CD1-CB 4.42Å; F39-L56 HydrophobicContact CD1-CD1 4Å; F39-L56 HydrophobicContact CD2-CD1 4.33Å; F39-L56 HydrophobicContact CE1-CB 4.2Å; F39-L56 HydrophobicContact CE1-CD1 3.56Å; F39-L56 HydrophobicContact CE1-CD2 4.24Å; F39-L56 HydrophobicContact CE1-CG 4.2Å; F39-L56 HydrophobicContact CE2-CD1 3.91Å; F39-L56 HydrophobicContact CG-CD1 4.38Å; F39-L56 HydrophobicContact CZ-CD1 3.5Å; F39-L56 HydrophobicContact CZ-CD2 4.36Å; F39-L56 HydrophobicContact CZ-CG 4.44Å
40	Y	98.3	Very high	93.8	Very high	59 Å²	59	93.5 Å²	93.5	23%	0.231	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.4	174.7	-58.3	-95.9	0	0	0	110.4	T20 V21 V24 D38 E54 I55 D57	T20-Y40 HydrophobicContact CG2-CD2 3.33Å; T20-Y40 HydrophobicContact CG2-CE2 3.69Å; T20-Y40 HydrophobicContact CG2-CG 3.81Å; V21-Y40 HydrophobicContact CG2-CE1 4.28Å; V24-Y40 HydrophobicContact CB-CD1 4.32Å; V24-Y40 HydrophobicContact CG1-CD1 4.12Å; V24-Y40 HydrophobicContact CG2-CD1 4.11Å; V24-Y40 HydrophobicContact CG2-CG 4.14Å; D38-Y40 HydrophobicContact CB-CD2 4.33Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.44Å; Y40-I55 PolarHBondContact N-O 3.33Å; Y40-I55 PolarHBondContact O-N 3.42Å; Y40-D57 HydrophobicContact CE2-CB 4.24Å
41	R	98.1	Very high	94.2	Very high	147 Å²	147	85.9 Å²	85.9	56%	0.555	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	128.1	175.5	-168.7	169.5	179.4	-106.4	-0.2	108.5	E3 V52 L53 E54	E3-R41 IonicContact OE1-CZ 2.7Å; E3-R41 IonicContact OE1-NH2 3.87Å; E3-R41 PolarHBondContact OE1-NH2 3.24Å; R41-V52 HydrophobicContact CG-CG1 3.54Å; R41-L53 WeakPolarHBondContact CA-O 3.46Å; R41-E54 HydrophobicContact CG-CG 4.28Å
42	K	98.2	Very high	94.7	Very high	57 Å²	57	78.1 Å²	78.1	25%	0.248	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.7	178.9	-179.9	167.7	167.8	-164.3	0	110.5	F23 I44 L53	F23-K42 HydrophobicContact CD1-CD 4.09Å; F23-K42 HydrophobicContact CE1-CB 4.32Å; F23-K42 HydrophobicContact CE1-CD 3.7Å; F23-K42 HydrophobicContact CE1-CG 4.35Å; F23-K42 HydrophobicContact CZ-CD 3.94Å; F23-K42 PolarHBondContact O-NZ 2.88Å; K42-I44 HydrophobicContact CB-CG2 4.35Å; K42-I44 HydrophobicContact CD-CG2 4.43Å; K42-I44 HydrophobicContact CG-CG2 3.91Å; K42-L53 PolarHBondContact N-O 3.43Å; K42-L53 PolarHBondContact O-N 3.4Å
43	E	98.1	Very high	95.5	Very high	139 Å²	139	71.9 Å²	71.9	65%	0.65	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	131	166.5	-66.6	-173.6	179.2	0	0	109.1	V52	E43-V52 HydrophobicContact CG-CG2 4.43Å
44	I	97.4	Very high	96	Very high	23 Å²	23	68.8 Å²	68.8	12%	0.118	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.3	-177.1	79.1	167.5	0	0	0	109	F23 K42 V46 S51 L53 V161	F23-I44 HydrophobicContact CE1-CG2 4.19Å; F23-I44 HydrophobicContact CZ-CG2 3.66Å; K42-I44 HydrophobicContact CB-CG2 4.35Å; K42-I44 HydrophobicContact CD-CG2 4.43Å; K42-I44 HydrophobicContact CG-CG2 3.91Å; I44-V46 HydrophobicContact CD1-CG2 3.48Å; I44-V46 VanDerWaalsContact CD1-CG2 3.48Å; I44-V46 HydrophobicContact CG1-CG2 4Å; I44-S51 PolarHBondContact N-O 2.73Å; I44-S51 PolarHBondContact O-N 3.04Å; I44-L53 HydrophobicContact CD1-CB 4.27Å; I44-L53 HydrophobicContact CD1-CD2 4.28Å; I44-L53 HydrophobicContact CG2-CB 4.44Å; I44-V161 HydrophobicContact CD1-CB 4.3Å; I44-V161 HydrophobicContact CD1-CG2 3.69Å
45	E	96.9	Very high	96.3	Very high	134 Å²	134	65 Å²	65	63%	0.626	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	121	170.4	-170.9	179.2	148	0	0	108.6	S48	E45-S48 WeakPolarHBondContact OE1-CA 3.28Å
46	V	96.1	Very high	96.7	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.03	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.5	177.7	179.1	0	0	0	0	107.7	I44 S48 S49 A158 V161 R162	I44-V46 HydrophobicContact CD1-CG2 3.48Å; I44-V46 VanDerWaalsContact CD1-CG2 3.48Å; I44-V46 HydrophobicContact CG1-CG2 4Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.31Å; V46-S49 PolarHBondContact N-O 3.4Å; V46-S49 WeakPolarHBondContact O-CA 3.42Å; V46-S49 VanDerWaalsContact O-CB 3.3Å; V46-S49 WeakPolarHBondContact O-CB 3.48Å; V46-S49 PolarHBondContact O-N 3.18Å; V46-A158 HydrophobicContact CG2-CB 4Å; V46-V161 HydrophobicContact CB-CG1 4.09Å; V46-V161 HydrophobicContact CG1-CG1 4.3Å; V46-V161 HydrophobicContact CG2-CB 4.1Å; V46-V161 HydrophobicContact CG2-CG1 3.99Å; V46-R162 HydrophobicContact CG1-CG 3.57Å
47	D	94.7	Very high	97	Very high	100 Å²	100	60.3 Å²	60.3	54%	0.535	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	46.6	-179.8	-49.5	-26	0	0	0	112.4	S49 R162	D47-S49 PolarHBondContact O-N 2.75Å; D47-R162 IonicContact OD1-CZ 2.71Å; D47-R162 IonicContact OD1-NE 3.73Å; D47-R162 PolarHBondContact OD1-NE 3.46Å; D47-R162 IonicContact OD1-NH2 3.37Å; D47-R162 PolarHBondContact OD1-NH2 2.64Å; D47-R162 VanDerWaalsContact OD1-NH2 3.14Å; D47-R162 VanDerWaalsContact OD2-CD 3.31Å; D47-R162 WeakPolarHBondContact OD2-CD 3.43Å; D47-R162 WeakPolarHBondContact OD2-CG 3.35Å; D47-R162 IonicContact OD2-NE 2.85Å; D47-R162 PolarHBondContact OD2-NE 2.91Å; D47-R162 VanDerWaalsContact OD2-NE 3.09Å
48	S	93.7	Very high	97.2	Very high	104 Å²	104	56.5 Å²	56.5	73%	0.727	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	19.7	-176.5	-58.6	0	0	0	0	115.5	E45 V46	E45-S48 WeakPolarHBondContact OE1-CA 3.28Å; V46-S48 VanDerWaalsContact C-N 3.27Å; V46-S48 PolarHBondContact O-N 3.31Å
49	S	95.1	Very high	97.1	Very high	58 Å²	58	53.7 Å²	53.7	41%	0.406	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	106	176.3	-161.6	0	0	0	0	111.1	V46 D47 S51	V46-S49 PolarHBondContact N-O 3.4Å; V46-S49 WeakPolarHBondContact O-CA 3.42Å; V46-S49 VanDerWaalsContact O-CB 3.3Å; V46-S49 WeakPolarHBondContact O-CB 3.48Å; V46-S49 PolarHBondContact O-N 3.18Å; D47-S49 PolarHBondContact O-N 2.75Å; S49-S51 PolarHBondContact O-N 3.49Å; S49-S51 PolarHBondContact O-OG 2.87Å
50	P	96.5	Very high	96.6	Very high	69 Å²	69	47.5 Å²	47.5	45%	0.448	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	131	173.4	-23.7	34	0	0	0	111.1	M1	M1-P50 HydrophobicContact CE-CB 3.8Å; M1-P50 HydrophobicContact CG-CB 4.29Å; M1-P50 WeakPolarHBondContact CG-O 3.38Å; M1-P50 HydrophobicContact SD-CB 4.3Å
51	S	96.7	Very high	96	Very high	1 Å²	1	47 Å²	47	1%	0.007	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.6	-170.4	-65.9	0	0	0	0	110.9	R2 Y4 I44 S49	R2-S51 WeakPolarHBondContact O-CA 3.5Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.33Å; I44-S51 PolarHBondContact N-O 2.73Å; I44-S51 PolarHBondContact O-N 3.04Å; S49-S51 PolarHBondContact O-N 3.49Å; S49-S51 PolarHBondContact O-OG 2.87Å
52	V	98.1	Very high	95.3	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.3	169.2	-177.4	0	0	0	0	108.7	M1 R2 E3 Y4 R41 E43	M1-V52 HydrophobicContact CB-CG2 4.48Å; M1-V52 HydrophobicContact CG-CG2 4.18Å; M1-V52 HydrophobicContact SD-CG2 3.5Å; M1-V52 WeakPolarHBondContact SD-CG2 3.42Å; R2-V52 PolarHBondContact O-N 3.02Å; E3-V52 CarbonylContact C-O 3.59Å; E3-V52 WeakPolarHBondContact CA-O 3.46Å; E3-V52 HydrophobicContact CG-CB 4.13Å; Y4-V52 PolarHBondContact N-O 3.03Å; R41-V52 HydrophobicContact CG-CG1 3.54Å; E43-V52 HydrophobicContact CG-CG2 4.43Å
53	L	98.6	Very high	94.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.3	174.5	-172.6	60.6	0	0	0	109.9	V6 F23 R41 K42 I44 I55 F157 V161 M164	V6-L53 HydrophobicContact CB-CD1 4.12Å; V6-L53 HydrophobicContact CG1-CD1 3.64Å; V6-L53 HydrophobicContact CG1-CD2 4.16Å; V6-L53 HydrophobicContact CG1-CG 3.95Å; F23-L53 HydrophobicContact CE1-CD2 4.24Å; R41-L53 WeakPolarHBondContact CA-O 3.46Å; K42-L53 PolarHBondContact N-O 3.43Å; K42-L53 PolarHBondContact O-N 3.4Å; I44-L53 HydrophobicContact CD1-CB 4.27Å; I44-L53 HydrophobicContact CD1-CD2 4.28Å; I44-L53 HydrophobicContact CG2-CB 4.44Å; L53-I55 HydrophobicContact CD2-CD1 4.25Å; L53-I55 HydrophobicContact CD2-CG1 4.05Å; L53-I55 HydrophobicContact CG-CD1 4.46Å; L53-I55 HydrophobicContact CG-CG1 3.86Å; L53-F157 HydrophobicContact CD2-CB 4.12Å; L53-F157 HydrophobicContact CD2-CD1 3.85Å; L53-F157 HydrophobicContact CD2-CG 4.44Å; L53-V161 HydrophobicContact CD1-CG2 3.78Å; L53-V161 HydrophobicContact CD2-CG2 4.2Å; L53-V161 HydrophobicContact CG-CG2 4.45Å; L53-M164 HydrophobicContact CD1-CE 4.11Å
54	E	98.7	Very high	94.1	Very high	51 Å²	51	47 Å²	47	24%	0.238	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122	165.4	-61.1	-172	160.5	0	0	108.8	Y4 K5 V6 Y40 R41	Y4-E54 PolarHBondContact O-N 2.73Å; K5-E54 CarbonylContact C-O 3.53Å; K5-E54 WeakPolarHBondContact CA-O 3.42Å; K5-E54 WeakPolarHBondContact CD-OE2 3.21Å; K5-E54 VanDerWaalsContact CE-OE2 3.26Å; K5-E54 WeakPolarHBondContact CE-OE2 3.46Å; K5-E54 HydrophobicContact CG-CB 4.37Å; K5-E54 IonicContact NZ-OE2 2.73Å; K5-E54 PolarHBondContact NZ-OE2 3.1Å; V6-E54 WeakPolarHBondContact CG1-O 3.5Å; V6-E54 PolarHBondContact N-O 2.95Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.44Å; R41-E54 HydrophobicContact CG-CG 4.28Å
55	I	98.9	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.4	-178.5	-51.6	164.5	0	0	0	107.7	V6 V8 T20 F23 V24 Y40 L53 F157	V6-I55 HydrophobicContact CG1-CB 4.04Å; V6-I55 HydrophobicContact CG1-CG1 3.69Å; V6-I55 HydrophobicContact CG1-CG2 4.04Å; V8-I55 HydrophobicContact CG2-CG2 3.71Å; T20-I55 HydrophobicContact CG2-CB 4.28Å; T20-I55 HydrophobicContact CG2-CD1 4.31Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; F23-I55 HydrophobicContact CD1-CD1 3.66Å; F23-I55 HydrophobicContact CE1-CD1 3.9Å; V24-I55 HydrophobicContact CG2-CD1 4.07Å; Y40-I55 PolarHBondContact N-O 3.33Å; Y40-I55 PolarHBondContact O-N 3.42Å; L53-I55 HydrophobicContact CD2-CD1 4.25Å; L53-I55 HydrophobicContact CD2-CG1 4.05Å; L53-I55 HydrophobicContact CG-CD1 4.46Å; L53-I55 HydrophobicContact CG-CG1 3.86Å; I55-F157 HydrophobicContact CD1-CD1 3.91Å; I55-F157 HydrophobicContact CD1-CE1 3.66Å; I55-F157 HydrophobicContact CD1-CZ 4.34Å; I55-F157 HydrophobicContact CG1-CD1 4.38Å; I55-F157 HydrophobicContact CG1-CE1 4.12Å; I55-F157 HydrophobicContact CG2-CE1 4.09Å
56	L	98.5	Very high	92.9	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.094	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	105.8	166.9	174.9	53.4	0	0	0	108.7	V6 V7 V8 E37 F39 T58 Y71	V6-L56 PolarHBondContact O-N 3.4Å; V7-L56 HydrophobicContact CG1-CB 4.47Å; V7-L56 HydrophobicContact CG1-CD2 4.25Å; V7-L56 HydrophobicContact CG1-CG 4.29Å; V7-L56 HydrophobicContact CG2-CB 4.34Å; V7-L56 HydrophobicContact CG2-CD2 4.26Å; V8-L56 PolarHBondContact N-O 3.05Å; E37-L56 HydrophobicContact CB-CD1 4.17Å; F39-L56 HydrophobicContact CD1-CB 4.42Å; F39-L56 HydrophobicContact CD1-CD1 4Å; F39-L56 HydrophobicContact CD2-CD1 4.33Å; F39-L56 HydrophobicContact CE1-CB 4.2Å; F39-L56 HydrophobicContact CE1-CD1 3.56Å; F39-L56 HydrophobicContact CE1-CD2 4.24Å; F39-L56 HydrophobicContact CE1-CG 4.2Å; F39-L56 HydrophobicContact CE2-CD1 3.91Å; F39-L56 HydrophobicContact CG-CD1 4.38Å; F39-L56 HydrophobicContact CZ-CD1 3.5Å; F39-L56 HydrophobicContact CZ-CD2 4.36Å; F39-L56 HydrophobicContact CZ-CG 4.44Å; L56-T58 HydrophobicContact CD1-CG2 4.4Å; L56-T58 HydrophobicContact CD2-CG2 4.38Å; L56-T58 HydrophobicContact CG-CG2 3.87Å; L56-Y71 HydrophobicContact CD2-CD1 3.68Å; L56-Y71 HydrophobicContact CD2-CE1 4.45Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å
57	D	97.3	Very high	92.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.3	168.1	-175.7	29.4	0	0	0	109.4	K16 S17 T20 E37 D38 Y40	K16-D57 WeakPolarHBondContact CB-OD1 3.42Å; S17-D57 WeakPolarHBondContact CA-OD2 3.5Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact OG-OD2 3.05Å; T20-D57 HydrophobicContact CG2-CB 4.48Å; E37-D57 CarbonylContact C-O 3.43Å; E37-D57 VanDerWaalsContact CA-O 3.26Å; E37-D57 WeakPolarHBondContact CA-O 3.36Å; D38-D57 HydrophobicContact CB-CB 4.39Å; D38-D57 PolarHBondContact N-O 2.97Å; D38-D57 PolarHBondContact O-N 3.15Å; Y40-D57 HydrophobicContact CE2-CB 4.24Å
58	T	96.7	Very high	92.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.6	-167.7	66.5	0	0	0	0	112.7	V7 V8 L9 K16 L56 Y71	V7-T58 HydrophobicContact CG1-CG2 3.7Å; V8-T58 PolarHBondContact O-OG1 3.12Å; L9-T58 HydrophobicContact CD2-CG2 4.23Å; K16-T58 WeakPolarHBondContact CE-O 3.41Å; K16-T58 PolarHBondContact NZ-O 2.88Å; L56-T58 HydrophobicContact CD1-CG2 4.4Å; L56-T58 HydrophobicContact CD2-CG2 4.38Å; L56-T58 HydrophobicContact CG-CG2 3.87Å; T58-Y71 HydrophobicContact CG2-CD2 3.74Å; T58-Y71 HydrophobicContact CG2-CE2 4.1Å; T58-Y71 HydrophobicContact CG2-CG 4.3Å
59	A	94.3	Very high	92.6	Very high	11 Å²	11	44 Å²	44	9%	0.091	25%	0.245	C	C	.	.			trans	-57.2	138.2	167.2	0	0	0	0	0	112	T35 I36 F64	T35-A59 WeakPolarHBondContact O-CA 2.91Å; T35-A59 VanDerWaalsContact O-CB 3.24Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å; I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.22Å; I36-A59 PolarHBondContact O-N 3.13Å; A59-F64 HydrophobicContact CB-CB 3.75Å; A59-F64 HydrophobicContact CB-CD2 3.4Å; A59-F64 HydrophobicContact CB-CE2 4.23Å; A59-F64 HydrophobicContact CB-CG 3.76Å
60	G	87.4	Confident	92.6	Very high	13 Å²	13	45.9 Å²	45.9	13%	0.134	25%	0.25	C	C	.	.			trans	-94.2	8.5	172	0	0	0	0	0	114.7	G10 S11 G12 K16	G10-G60 VanDerWaalsContact O-CA 3.25Å; G10-G60 WeakPolarHBondContact O-CA 3.37Å; S11-G60 CarbonylContact C-O 3.6Å; G12-G60 PolarHBondContact N-O 2.97Å; K16-G60 VanDerWaalsContact NZ-CA 3.29Å
61	T	87.1	Confident	92.5	Very high	48 Å²	48	43.2 Å²	43.2	29%	0.294	23%	0.231	S	C	.	.	S	Bend	trans	-105.2	149.8	-175	66	0	0	0	0	111.3	Q63 F64	T61-Q63 PolarHBondContact O-N 3.35Å; T61-F64 PolarHBondContact O-N 3.22Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.1Å
62	E	83.3	Confident	92.5	Very high	134 Å²	134	43.2 Å²	43.2	63%	0.626	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-65.4	-19.5	-178.8	-69.2	-57.5	115.8	0	0	113.7	F64 A65 R68	E62-F64 PolarHBondContact O-N 3.32Å; E62-F64 VanDerWaalsContact O-N 3.14Å; E62-A65 VanDerWaalsContact O-CB 3.26Å; E62-A65 WeakPolarHBondContact O-CB 3.42Å; E62-A65 PolarHBondContact O-N 3.13Å; E62-R68 IonicContact OE1-NH2 2.82Å; E62-R68 PolarHBondContact OE1-NH2 3.18Å
63	Q	85.2	Confident	92.4	Very high	163 Å²	163	50 Å²	50	76%	0.762	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-57.6	-28.1	175.5	-67.7	171	-5.1	0	0	112.7	T61	T61-Q63 PolarHBondContact O-N 3.35Å
64	F	84.9	Confident	92.2	Very high	48 Å²	48	54.9 Å²	54.9	21%	0.211	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-107.4	9.7	179.3	-60	-79	0	0	0	113.1	I36 A59 T61 E62 S66 M67	I36-F64 HydrophobicContact CB-CE1 4.48Å; I36-F64 HydrophobicContact CB-CZ 4.26Å; I36-F64 HydrophobicContact CD1-CZ 4.1Å; I36-F64 HydrophobicContact CG1-CE1 4.37Å; I36-F64 HydrophobicContact CG1-CE2 4.19Å; I36-F64 HydrophobicContact CG1-CZ 3.74Å; I36-F64 HydrophobicContact CG2-CD1 4.08Å; I36-F64 HydrophobicContact CG2-CE1 3.58Å; I36-F64 HydrophobicContact CG2-CZ 3.83Å; A59-F64 HydrophobicContact CB-CB 3.75Å; A59-F64 HydrophobicContact CB-CD2 3.4Å; A59-F64 HydrophobicContact CB-CE2 4.23Å; A59-F64 HydrophobicContact CB-CG 3.76Å; T61-F64 PolarHBondContact O-N 3.22Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.1Å; E62-F64 PolarHBondContact O-N 3.32Å; E62-F64 VanDerWaalsContact O-N 3.14Å; F64-S66 PolarHBondContact O-N 2.82Å; F64-M67 HydrophobicContact CD1-SD 4.06Å; F64-M67 PolarHBondContact O-N 3.11Å
65	A	82.8	Confident	92.1	Very high	23 Å²	23	52.6 Å²	52.6	19%	0.19	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.2	-29.2	-179.8	0	0	0	0	0	112.8	E62 M67 R68	E62-A65 VanDerWaalsContact O-CB 3.26Å; E62-A65 WeakPolarHBondContact O-CB 3.42Å; E62-A65 PolarHBondContact O-N 3.13Å; A65-M67 PolarHBondContact O-N 2.88Å; A65-R68 WeakPolarHBondContact O-CB 3.26Å; A65-R68 PolarHBondContact O-N 2.91Å; A65-R68 VanDerWaalsContact O-N 3.13Å
66	S	86.6	Confident	92	Very high	105 Å²	105	56.7 Å²	56.7	73%	0.734	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.4	-25.5	176.1	59	0	0	0	0	113.5	F64	F64-S66 PolarHBondContact O-N 2.82Å
67	M	90.1	Very high	92	Very high	86 Å²	86	55.9 Å²	55.9	42%	0.424	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-85	-15.2	176.5	-62.5	179.7	171.2	0	0	112.5	F64 A65 D69 L70 Y71	F64-M67 HydrophobicContact CD1-SD 4.06Å; F64-M67 PolarHBondContact O-N 3.11Å; A65-M67 PolarHBondContact O-N 2.88Å; M67-D69 VanDerWaalsContact C-N 3.29Å; M67-D69 PolarHBondContact O-N 3.05Å; M67-L70 WeakPolarHBondContact O-CB 3.49Å; M67-L70 PolarHBondContact O-N 3.23Å; M67-Y71 HydrophobicContact CB-CE1 4.08Å; M67-Y71 HydrophobicContact CB-CE2 3.79Å; M67-Y71 WeakPolarHBondContact CB-OH 3.32Å; M67-Y71 PolarHBondContact O-N 2.84Å; M67-Y71 PolarHBondContact SD-OH 2.8Å
68	R	92.5	Very high	92.1	Very high	23 Å²	23	55.9 Å²	55.9	9%	0.087	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-36	-174	-161.2	-174.3	-62.5	146.1	-4.6	112.7	L9 E62 A65 L70 Y71 I72	L9-R68 HydrophobicContact CD2-CG 3.9Å; E62-R68 IonicContact OE1-NH2 2.82Å; E62-R68 PolarHBondContact OE1-NH2 3.18Å; A65-R68 WeakPolarHBondContact O-CB 3.26Å; A65-R68 PolarHBondContact O-N 2.91Å; A65-R68 VanDerWaalsContact O-N 3.13Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 2.66Å; R68-Y71 PolarHBondContact O-N 2.86Å; R68-I72 HydrophobicContact CG-CD1 3.86Å; R68-I72 HydrophobicContact CG-CG1 4.35Å; R68-I72 WeakPolarHBondContact O-CB 3.38Å; R68-I72 WeakPolarHBondContact O-CD1 3.43Å; R68-I72 WeakPolarHBondContact O-CG1 3.49Å; R68-I72 PolarHBondContact O-N 2.9Å
69	D	94.7	Very high	92.2	Very high	65 Å²	65	55.8 Å²	55.8	35%	0.348	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-35.9	175.3	-84.7	7.4	0	0	0	111.9	M67 K73 Q99 R102 V103	M67-D69 VanDerWaalsContact C-N 3.29Å; M67-D69 PolarHBondContact O-N 3.05Å; D69-K73 WeakPolarHBondContact O-CB 3.47Å; D69-K73 PolarHBondContact O-N 3.1Å; D69-Q99 WeakPolarHBondContact OD1-CG 3.3Å; D69-Q99 PolarHBondContact OD1-NE2 3.14Å; D69-R102 IonicContact OD1-NH2 3.56Å; D69-R102 IonicContact OD2-NH2 3.72Å; D69-V103 HydrophobicContact CB-CG2 4.37Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.27Å
70	L	95.2	Very high	92.4	Very high	98 Å²	98	55.3 Å²	55.3	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-69.2	-46.3	176.7	-179.5	63.4	0	0	0	111.2	M67 R68 I72 K73 N74	M67-L70 WeakPolarHBondContact O-CB 3.49Å; M67-L70 PolarHBondContact O-N 3.23Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 2.66Å; L70-I72 VanDerWaalsContact C-N 3.32Å; L70-I72 PolarHBondContact O-N 3.37Å; L70-K73 PolarHBondContact O-N 3.14Å; L70-N74 PolarHBondContact O-N 2.7Å; L70-N74 VanDerWaalsContact O-N 3.11Å; L70-N74 PolarHBondContact O-ND2 2.94Å
71	Y	95.9	Very high	92.9	Very high	13 Å²	13	54.7 Å²	54.7	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-47.5	176.2	-52.9	-29.1	0	0	0	110.7	E37 L56 T58 M67 R68 K73 N74 G75	E37-Y71 WeakPolarHBondContact OE2-CE1 3.44Å; E37-Y71 PolarHBondContact OE2-OH 2.92Å; E37-Y71 VanDerWaalsContact OE2-OH 3.11Å; L56-Y71 HydrophobicContact CD2-CD1 3.68Å; L56-Y71 HydrophobicContact CD2-CE1 4.45Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å; T58-Y71 HydrophobicContact CG2-CD2 3.74Å; T58-Y71 HydrophobicContact CG2-CE2 4.1Å; T58-Y71 HydrophobicContact CG2-CG 4.3Å; M67-Y71 HydrophobicContact CB-CE1 4.08Å; M67-Y71 HydrophobicContact CB-CE2 3.79Å; M67-Y71 WeakPolarHBondContact CB-OH 3.32Å; M67-Y71 PolarHBondContact O-N 2.84Å; M67-Y71 PolarHBondContact SD-OH 2.8Å; R68-Y71 PolarHBondContact O-N 2.86Å; Y71-K73 PolarHBondContact O-N 3.13Å; Y71-N74 PolarHBondContact O-N 3.37Å; Y71-G75 PolarHBondContact O-N 2.92Å
72	I	96.1	Very high	93.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-45.7	178.2	-66.1	165.4	0	0	0	110.9	L9 R68 L70 N74 G75 F78 Q99 I100 V103 K104	L9-I72 HydrophobicContact CD1-CD1 4.49Å; L9-I72 HydrophobicContact CD1-CG1 4.14Å; R68-I72 HydrophobicContact CG-CD1 3.86Å; R68-I72 HydrophobicContact CG-CG1 4.35Å; R68-I72 WeakPolarHBondContact O-CB 3.38Å; R68-I72 WeakPolarHBondContact O-CD1 3.43Å; R68-I72 WeakPolarHBondContact O-CG1 3.49Å; R68-I72 PolarHBondContact O-N 2.9Å; L70-I72 VanDerWaalsContact C-N 3.32Å; L70-I72 PolarHBondContact O-N 3.37Å; I72-N74 PolarHBondContact O-N 2.96Å; I72-G75 PolarHBondContact O-N 3.33Å; I72-F78 HydrophobicContact CB-CE1 4.17Å; I72-F78 HydrophobicContact CB-CZ 4.38Å; I72-F78 HydrophobicContact CG1-CE1 4.06Å; I72-F78 HydrophobicContact CG2-CE1 4.08Å; I72-F78 HydrophobicContact CG2-CZ 3.87Å; I72-F78 WeakPolarHBondContact O-CZ 3.07Å; I72-Q99 HydrophobicContact CD1-CB 4.34Å; I72-Q99 HydrophobicContact CD1-CG 3.83Å; I72-I100 HydrophobicContact CD1-CG1 3.78Å; I72-I100 HydrophobicContact CG1-CG1 3.97Å; I72-I100 HydrophobicContact CG2-CB 4.47Å; I72-I100 HydrophobicContact CG2-CG1 4.35Å; I72-V103 HydrophobicContact CB-CB 4.36Å; I72-V103 HydrophobicContact CB-CG1 4.1Å; I72-V103 HydrophobicContact CG2-CB 3.63Å; I72-V103 HydrophobicContact CG2-CG1 3.63Å; I72-V103 HydrophobicContact CG2-CG2 4.38Å; I72-K104 HydrophobicContact CG2-CG 4.2Å; I72-K104 WeakPolarHBondContact O-CE 3.36Å; I72-K104 PolarHBondContact O-NZ 3.09Å
73	K	95.6	Very high	94.2	Very high	150 Å²	150	46.1 Å²	46.1	65%	0.652	24%	0.236	S	C	*	.	H	α-helix	trans	-56.1	-41.7	179.6	-173.9	176.7	179.9	-177.8	0	111.5	D69 L70 Y71 V103 K104	D69-K73 WeakPolarHBondContact O-CB 3.47Å; D69-K73 PolarHBondContact O-N 3.1Å; L70-K73 PolarHBondContact O-N 3.14Å; Y71-K73 PolarHBondContact O-N 3.13Å; K73-V103 HydrophobicContact CB-CG1 4.14Å; K73-K104 PolarHBondContact O-NZ 2.9Å
74	N	95.2	Very high	94.9	Very high	102 Å²	102	38.4 Å²	38.4	55%	0.545	20%	0.2	S	C	.	.	H	α-helix	trans	-86.1	-24.5	-175.5	-65.1	-18	0	0	0	114.6	L70 Y71 I72	L70-N74 PolarHBondContact O-N 2.7Å; L70-N74 VanDerWaalsContact O-N 3.11Å; L70-N74 PolarHBondContact O-ND2 2.94Å; Y71-N74 PolarHBondContact O-N 3.37Å; I72-N74 PolarHBondContact O-N 2.96Å
75	G	96.9	Very high	95.5	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	20%	0.197	C	C	.	.			trans	-71.7	146.4	178.5	0	0	0	0	0	113.7	Y71 I72 K104	Y71-G75 PolarHBondContact O-N 2.92Å; I72-G75 PolarHBondContact O-N 3.33Å; G75-K104 WeakPolarHBondContact O-CE 3.47Å; G75-K104 PolarHBondContact O-NZ 2.73Å
76	Q	96.4	Very high	96.3	Very high	87 Å²	87	39.3 Å²	39.3	41%	0.407	21%	0.205	S	C	.	.	S	Bend	trans	-97.3	-31.7	174.4	-67.7	170.2	-61	0	0	112.3	K5 P110 M164	K5-Q76 HydrophobicContact CB-CG 4.41Å; K5-Q76 WeakPolarHBondContact O-CA 3.47Å; K5-Q76 WeakPolarHBondContact O-CB 3.29Å; K5-Q76 PolarHBondContact O-N 3.3Å; Q76-P110 WeakPolarHBondContact O-CG 3.45Å; Q76-M164 HydrophobicContact CB-CG 4.41Å; Q76-M164 HydrophobicContact CB-SD 3.57Å; Q76-M164 VanDerWaalsContact CB-SD 3.57Å
77	G	98.1	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160.8	174.1	0	0	0	0	0	112.7	K5 V6 V7 P110 M164	K5-G77 PolarHBondContact O-N 2.82Å; K5-G77 VanDerWaalsContact O-N 3.1Å; V6-G77 CarbonylContact C-O 3.48Å; V6-G77 WeakPolarHBondContact CA-O 3.36Å; V7-G77 PolarHBondContact N-O 2.97Å; G77-P110 CarbonylContact C-O 3.57Å; G77-P110 VanDerWaalsContact CA-O 3.28Å; G77-P110 WeakPolarHBondContact CA-O 3.41Å; G77-M164 PolarHBondContact N-SD 3.4Å; G77-M164 VanDerWaalsContact N-SD 3.37Å
78	F	98.6	Very high	97.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.3	-172.8	-58.8	-79.3	0	0	0	111.6	V7 L9 I72 I100 K104 V109 P110 L111 I112 I160	V7-F78 HydrophobicContact CB-CD1 3.95Å; V7-F78 HydrophobicContact CB-CE1 4Å; V7-F78 HydrophobicContact CG2-CD1 4.45Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 WeakPolarHBondContact O-CA 3.31Å; L9-F78 HydrophobicContact CD1-CD1 4.03Å; I72-F78 HydrophobicContact CB-CE1 4.17Å; I72-F78 HydrophobicContact CB-CZ 4.38Å; I72-F78 HydrophobicContact CG1-CE1 4.06Å; I72-F78 HydrophobicContact CG2-CE1 4.08Å; I72-F78 HydrophobicContact CG2-CZ 3.87Å; I72-F78 WeakPolarHBondContact O-CZ 3.07Å; F78-I100 HydrophobicContact CB-CD1 3.9Å; F78-I100 HydrophobicContact CD1-CD1 4.01Å; F78-I100 HydrophobicContact CD1-CG1 4.12Å; F78-I100 HydrophobicContact CD2-CG2 3.64Å; F78-I100 HydrophobicContact CE2-CG2 3.84Å; F78-I100 HydrophobicContact CG-CD1 3.87Å; F78-I100 HydrophobicContact CG-CG1 4.21Å; F78-I100 HydrophobicContact CG-CG2 4Å; F78-I100 HydrophobicContact CZ-CG2 4.39Å; F78-K104 HydrophobicContact CE2-CD 4.34Å; F78-K104 HydrophobicContact CE2-CG 4.08Å; F78-K104 VanDerWaalsContact CZ-CE 3.42Å; F78-K104 HydrophobicContact CZ-CG 4.38Å; F78-V109 HydrophobicContact CD2-CG1 3.44Å; F78-V109 VanDerWaalsContact CD2-CG1 3.44Å; F78-V109 HydrophobicContact CE2-CG1 3.5Å; F78-V109 VanDerWaalsContact CE2-CG1 3.5Å; F78-P110 PolarHBondContact N-O 2.94Å; F78-L111 HydrophobicContact CB-CD1 4.37Å; F78-L111 HydrophobicContact CB-CG 4.44Å; F78-L111 CarbonylContact O-C 3.55Å; F78-L111 VanDerWaalsContact O-CA 3.27Å; F78-L111 WeakPolarHBondContact O-CA 3.49Å; F78-I112 PolarHBondContact O-N 3.06Å; F78-I160 WeakPolarHBondContact O-CD1 3.42Å
79	I	98.9	Very high	97.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.3	167.6	-63.7	172.5	0	0	0	106.7	V6 V7 V8 L9 V81 V114 L156 F157 I160	V6-I79 HydrophobicContact CG2-CD1 3.84Å; V6-I79 HydrophobicContact CG2-CG1 3.78Å; V7-I79 PolarHBondContact O-N 3Å; V8-I79 HydrophobicContact CG1-CB 4.39Å; V8-I79 HydrophobicContact CG1-CG2 4.34Å; V8-I79 HydrophobicContact CG2-CB 4.46Å; V8-I79 HydrophobicContact CG2-CD1 4.43Å; L9-I79 PolarHBondContact N-O 3.05Å; I79-V81 HydrophobicContact CG2-CG2 3.67Å; I79-V114 HydrophobicContact CG2-CB 4.46Å; I79-V114 HydrophobicContact CG2-CG2 3.67Å; I79-L156 HydrophobicContact CD1-CD1 4.21Å; I79-L156 HydrophobicContact CD1-CD2 4.41Å; I79-L156 HydrophobicContact CD1-CG 4.12Å; I79-L156 HydrophobicContact CG1-CD1 4.32Å; I79-L156 HydrophobicContact CG2-CD1 4.15Å; I79-L156 HydrophobicContact CG2-CD2 4.15Å; I79-F157 HydrophobicContact CD1-CD1 3.88Å; I79-F157 HydrophobicContact CD1-CE1 3.68Å; I79-F157 HydrophobicContact CD1-CZ 4.29Å; I79-I160 HydrophobicContact CD1-CB 4.38Å; I79-I160 HydrophobicContact CD1-CG2 4.13Å; I79-I160 HydrophobicContact CG1-CB 4.23Å; I79-I160 HydrophobicContact CG1-CD1 4.47Å; I79-I160 HydrophobicContact CG1-CG1 4.1Å; I79-I160 HydrophobicContact CG1-CG2 4.48Å
80	L	98.7	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.1	174.8	-78.9	176.7	0	0	0	109.8	L9 M96 R97 I100 L111 I112 V114 W138	L9-L80 HydrophobicContact CB-CD2 3.74Å; L80-M96 HydrophobicContact CD2-CB 3.96Å; L80-R97 HydrophobicContact CD1-CB 3.68Å; L80-R97 HydrophobicContact CD1-CG 4.27Å; L80-I100 HydrophobicContact CD1-CD1 4.05Å; L80-I100 HydrophobicContact CD2-CD1 3.95Å; L80-I100 HydrophobicContact CG-CD1 4.04Å; L80-L111 HydrophobicContact CD1-CD1 3.78Å; L80-L111 HydrophobicContact CD1-CD2 4.35Å; L80-L111 HydrophobicContact CD1-CG 4.34Å; L80-L111 HydrophobicContact CG-CD1 4.39Å; L80-I112 PolarHBondContact N-O 2.85Å; L80-V114 PolarHBondContact O-N 3.08Å; L80-W138 HydrophobicContact CD1-CH2 4.18Å; L80-W138 HydrophobicContact CD1-CZ3 3.76Å
81	V	98.9	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.5	-174.8	-168.5	0	0	0	0	110.3	V8 L9 G10 V14 K16 L19 I79 V114 N116	V8-V81 HydrophobicContact CG1-CG2 3.78Å; L9-V81 PolarHBondContact O-N 2.74Å; G10-V81 WeakPolarHBondContact CA-O 3.3Å; V14-V81 HydrophobicContact CB-CG1 4.27Å; V14-V81 HydrophobicContact CG2-CB 3.95Å; V14-V81 HydrophobicContact CG2-CG1 3.82Å; K16-V81 HydrophobicContact CG-CB 4.21Å; K16-V81 HydrophobicContact CG-CG2 4.29Å; L19-V81 HydrophobicContact CD1-CG1 3.99Å; L19-V81 HydrophobicContact CD1-CG2 4.12Å; I79-V81 HydrophobicContact CG2-CG2 3.67Å; V81-V114 WeakPolarHBondContact CA-O 3.39Å; V81-V114 HydrophobicContact CG1-CG1 4.46Å; V81-V114 HydrophobicContact CG2-CB 4.34Å; V81-N116 HydrophobicContact CG1-CB 3.8Å
82	Y	98.9	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	166.6	161.5	72	-84.8	0	0	0	109.6	L84 S89 F90 I93 L113 V114 G115 N116 V126 F142	Y82-L84 HydrophobicContact CE2-CD2 3.73Å; Y82-S89 WeakPolarHBondContact CB-O 3.4Å; Y82-F90 AromaticContact CD1-CD2 3.83Å; Y82-F90 HydrophobicContact CD1-CD2 3.83Å; Y82-F90 HydrophobicContact CD1-CE2 4.49Å; Y82-F90 HydrophobicContact CD2-CB 3.8Å; Y82-F90 AromaticContact CD2-CD2 3.77Å; Y82-F90 HydrophobicContact CD2-CD2 3.77Å; Y82-F90 HydrophobicContact CD2-CG 4.21Å; Y82-F90 AromaticContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CE2 4.06Å; Y82-F90 HydrophobicContact CE2-CB 4.3Å; Y82-F90 AromaticContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CE2 4.42Å; Y82-F90 HydrophobicContact CE2-CG 4.31Å; Y82-F90 HydrophobicContact CG-CB 4.16Å; Y82-F90 AromaticContact CG-CD2 3.84Å; Y82-F90 HydrophobicContact CG-CD2 3.84Å; Y82-F90 AromaticContact CZ-CD2 3.68Å; Y82-I93 HydrophobicContact CD1-CD1 3.97Å; Y82-L113 HydrophobicContact CD1-CD1 3.78Å; Y82-L113 HydrophobicContact CE1-CD1 3.82Å; Y82-L113 HydrophobicContact CE1-CG 4.1Å; Y82-V114 WeakPolarHBondContact CD1-O 3.23Å; Y82-V114 PolarHBondContact N-O 3.2Å; Y82-G115 VanDerWaalsContact CZ-CA 3.48Å; Y82-N116 PolarHBondContact O-N 3.28Å; Y82-V126 HydrophobicContact CD2-CG1 4.49Å; Y82-V126 HydrophobicContact CD2-CG2 4.19Å; Y82-V126 HydrophobicContact CE2-CB 3.84Å; Y82-V126 HydrophobicContact CE2-CG1 3.6Å; Y82-V126 HydrophobicContact CE2-CG2 3.98Å; Y82-F142 HydrophobicContact CE1-CE2 4.13Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.47Å
83	S	98.8	Very high	98.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.6	176.6	168	0	0	0	0	109.6	V85 N86 S89	S83-V85 PolarHBondContact O-N 3.26Å; S83-V85 VanDerWaalsContact O-N 3.17Å; S83-V85 VanDerWaalsContact OG-CG2 3.24Å; S83-V85 WeakPolarHBondContact OG-CG2 3.41Å; S83-V85 PolarHBondContact OG-N 3.2Å; S83-N86 PolarHBondContact O-N 3.29Å; S83-S89 PolarHBondContact N-OG 2.95Å; S83-S89 PolarHBondContact O-OG 3.29Å
84	L	98.9	Very high	98.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24	177.7	-67.3	173.2	0	0	0	112.6	Y82 N116 V118 R124 E125 V126 E144	Y82-L84 HydrophobicContact CE2-CD2 3.73Å; L84-N116 WeakPolarHBondContact CB-O 3.3Å; L84-N116 VanDerWaalsContact CG-O 3.32Å; L84-N116 WeakPolarHBondContact CG-O 3.28Å; L84-N116 PolarHBondContact N-O 3.17Å; L84-V118 HydrophobicContact CD1-CB 3.82Å; L84-V118 HydrophobicContact CD1-CG2 4.22Å; L84-R124 VanDerWaalsContact CD2-NH1 3.29Å; L84-E125 PolarHBondContact O-N 3.42Å; L84-V126 PolarHBondContact O-N 3.3Å; L84-E144 HydrophobicContact CD1-CB 4.34Å; L84-E144 HydrophobicContact CD1-CG 4.18Å; L84-E144 HydrophobicContact CD2-CG 4.34Å
85	V	98.7	Very high	98.2	Very high	24 Å²	24	30.1 Å²	30.1	15%	0.145	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	21.7	177.3	-51.5	0	0	0	0	113.2	S83 K117 L120 E123	S83-V85 PolarHBondContact O-N 3.26Å; S83-V85 VanDerWaalsContact O-N 3.17Å; S83-V85 VanDerWaalsContact OG-CG2 3.24Å; S83-V85 WeakPolarHBondContact OG-CG2 3.41Å; S83-V85 PolarHBondContact OG-N 3.2Å; V85-K117 HydrophobicContact CG2-CD 4Å; V85-L120 HydrophobicContact CG1-CB 3.56Å; V85-L120 HydrophobicContact CG1-CD1 4.26Å; V85-L120 WeakPolarHBondContact CG1-O 3.24Å; V85-L120 HydrophobicContact CG2-CD1 4.04Å; V85-E123 HydrophobicContact CB-CB 4.13Å; V85-E123 WeakPolarHBondContact CB-O 3.49Å; V85-E123 HydrophobicContact CG1-CB 3.68Å; V85-E123 WeakPolarHBondContact CG1-O 3.14Å
86	N	98.6	Very high	98.1	Very high	67 Å²	67	30.3 Å²	30.3	36%	0.358	15%	0.153	S	C	.	.			trans	-150.1	98.4	176.7	-176.3	-43.6	0	0	0	110.7	S83 Q88 S89 E125	S83-N86 PolarHBondContact O-N 3.29Å; N86-Q88 VanDerWaalsContact C-N 3.28Å; N86-Q88 PolarHBondContact O-N 3.29Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.39Å; N86-Q88 PolarHBondContact OD1-N 3.37Å; N86-Q88 VanDerWaalsContact OD1-N 3.09Å; N86-S89 PolarHBondContact O-N 3.01Å; N86-S89 PolarHBondContact O-OG 2.96Å; N86-S89 PolarHBondContact OD1-N 3.42Å; N86-E125 VanDerWaalsContact CA-OE2 3.31Å; N86-E125 WeakPolarHBondContact CA-OE2 3.41Å
87	Q	98.6	Very high	98.1	Very high	58 Å²	58	29.1 Å²	29.1	27%	0.271	15%	0.145	S	C	.	.	H	α-helix	trans	-59.7	-35.7	-179.4	-174.3	64.7	17.4	0	0	112.7	S89 F90 Q91 E125	Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 3.27Å; Q87-F90 WeakPolarHBondContact O-CB 3.21Å; Q87-F90 PolarHBondContact O-N 3.5Å; Q87-F90 VanDerWaalsContact O-N 3.17Å; Q87-Q91 PolarHBondContact O-N 3.35Å; Q87-E125 HydrophobicContact CB-CB 4.29Å; Q87-E125 PolarHBondContact N-OE2 3.29Å; Q87-E125 PolarHBondContact OE1-O 3.46Å
88	Q	98.5	Very high	98	Very high	116 Å²	116	33.2 Å²	33.2	54%	0.542	17%	0.167	S	C	.	.	H	α-helix	trans	-63.1	-41.6	179.5	-174.8	59.6	52.8	0	0	111	N86 F90 Q91 D92	N86-Q88 VanDerWaalsContact C-N 3.28Å; N86-Q88 PolarHBondContact O-N 3.29Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.39Å; N86-Q88 PolarHBondContact OD1-N 3.37Å; N86-Q88 VanDerWaalsContact OD1-N 3.09Å; Q88-F90 PolarHBondContact O-N 2.81Å; Q88-Q91 WeakPolarHBondContact O-CA 3.24Å; Q88-Q91 WeakPolarHBondContact O-CB 3.26Å; Q88-Q91 PolarHBondContact O-N 3.2Å; Q88-D92 PolarHBondContact NE2-OD1 2.94Å; Q88-D92 PolarHBondContact O-N 2.95Å
89	S	98.6	Very high	97.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-28.6	177.3	75.8	0	0	0	0	113.1	Y82 S83 N86 Q87 I93	Y82-S89 WeakPolarHBondContact CB-O 3.4Å; S83-S89 PolarHBondContact N-OG 2.95Å; S83-S89 PolarHBondContact O-OG 3.29Å; N86-S89 PolarHBondContact O-N 3.01Å; N86-S89 PolarHBondContact O-OG 2.96Å; N86-S89 PolarHBondContact OD1-N 3.42Å; Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 3.27Å; S89-I93 PolarHBondContact O-N 2.92Å
90	F	98.8	Very high	97.7	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-74	-29.3	173.4	-179.1	-112.4	0	0	0	112.8	Y82 Q87 Q88 I93 V126 E130 L134	Y82-F90 AromaticContact CD1-CD2 3.83Å; Y82-F90 HydrophobicContact CD1-CD2 3.83Å; Y82-F90 HydrophobicContact CD1-CE2 4.49Å; Y82-F90 HydrophobicContact CD2-CB 3.8Å; Y82-F90 AromaticContact CD2-CD2 3.77Å; Y82-F90 HydrophobicContact CD2-CD2 3.77Å; Y82-F90 HydrophobicContact CD2-CG 4.21Å; Y82-F90 AromaticContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CD2 3.76Å; Y82-F90 HydrophobicContact CE1-CE2 4.06Å; Y82-F90 HydrophobicContact CE2-CB 4.3Å; Y82-F90 AromaticContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CD2 3.69Å; Y82-F90 HydrophobicContact CE2-CE2 4.42Å; Y82-F90 HydrophobicContact CE2-CG 4.31Å; Y82-F90 HydrophobicContact CG-CB 4.16Å; Y82-F90 AromaticContact CG-CD2 3.84Å; Y82-F90 HydrophobicContact CG-CD2 3.84Å; Y82-F90 AromaticContact CZ-CD2 3.68Å; Q87-F90 WeakPolarHBondContact O-CB 3.21Å; Q87-F90 PolarHBondContact O-N 3.5Å; Q87-F90 VanDerWaalsContact O-N 3.17Å; Q88-F90 PolarHBondContact O-N 2.81Å; F90-I93 HydrophobicContact CD2-CD1 4.07Å; F90-I93 HydrophobicContact CE2-CD1 4.39Å; F90-I93 WeakPolarHBondContact O-CG1 3.47Å; F90-V126 HydrophobicContact CB-CG1 4.38Å; F90-V126 HydrophobicContact CB-CG2 3.75Å; F90-V126 HydrophobicContact CD1-CG1 4.11Å; F90-V126 HydrophobicContact CD2-CG1 4.05Å; F90-V126 HydrophobicContact CE1-CG1 4.41Å; F90-V126 HydrophobicContact CE2-CG1 4.35Å; F90-V126 HydrophobicContact CG-CG1 3.93Å; F90-V126 HydrophobicContact CG-CG2 4.19Å; F90-E130 HydrophobicContact CE1-CB 4.1Å; F90-E130 HydrophobicContact CZ-CB 4.03Å; F90-L134 HydrophobicContact CD2-CD2 4.41Å; F90-L134 HydrophobicContact CE2-CB 4.39Å; F90-L134 HydrophobicContact CE2-CD2 3.55Å; F90-L134 HydrophobicContact CZ-CB 4.08Å; F90-L134 HydrophobicContact CZ-CD2 3.65Å; F90-L134 HydrophobicContact CZ-CG 4.48Å
91	Q	98.5	Very high	97.5	Very high	69 Å²	69	36.9 Å²	36.9	32%	0.322	19%	0.187	S	C	.	.	H	α-helix	trans	-76	-39.5	172	-56.6	-52.7	-42.9	0	0	111.4	Q87 Q88 I93 K94 P95	Q87-Q91 PolarHBondContact O-N 3.35Å; Q88-Q91 WeakPolarHBondContact O-CA 3.24Å; Q88-Q91 WeakPolarHBondContact O-CB 3.26Å; Q88-Q91 PolarHBondContact O-N 3.2Å; Q91-I93 VanDerWaalsContact C-N 3.29Å; Q91-I93 PolarHBondContact O-N 2.82Å; Q91-K94 WeakPolarHBondContact O-CB 3.37Å; Q91-K94 PolarHBondContact O-N 3.01Å; Q91-P95 WeakPolarHBondContact O-CD 3.35Å
92	D	97.3	Very high	97.3	Very high	50 Å²	50	44.4 Å²	44.4	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-28.7	-175.8	-64.5	-16.7	0	0	0	113.7	S11 Q88 K94 P95 M96	S11-D92 WeakPolarHBondContact OG-CB 3.26Å; S11-D92 PolarHBondContact OG-OD2 2.89Å; Q88-D92 PolarHBondContact NE2-OD1 2.94Å; Q88-D92 PolarHBondContact O-N 2.95Å; D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 2.84Å; D92-P95 VanDerWaalsContact O-CD 3.29Å; D92-P95 WeakPolarHBondContact O-CD 2.85Å; D92-P95 VanDerWaalsContact O-CG 3.31Å; D92-P95 WeakPolarHBondContact O-CG 3.44Å; D92-M96 HydrophobicContact CB-CE 4.47Å; D92-M96 WeakPolarHBondContact O-CG 3.32Å
93	I	97.7	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-21.5	178.4	53.2	155	0	0	0	113.5	Y82 S89 F90 Q91 M96 R97 L113 L134 W138	Y82-I93 HydrophobicContact CD1-CD1 3.97Å; S89-I93 PolarHBondContact O-N 2.92Å; F90-I93 HydrophobicContact CD2-CD1 4.07Å; F90-I93 HydrophobicContact CE2-CD1 4.39Å; F90-I93 WeakPolarHBondContact O-CG1 3.47Å; Q91-I93 VanDerWaalsContact C-N 3.29Å; Q91-I93 PolarHBondContact O-N 2.82Å; I93-M96 WeakPolarHBondContact O-CB 3.25Å; I93-M96 PolarHBondContact O-N 2.86Å; I93-R97 PolarHBondContact O-N 3.37Å; I93-L113 HydrophobicContact CD1-CD1 3.28Å; I93-L134 HydrophobicContact CD1-CD2 3.91Å; I93-W138 HydrophobicContact CD1-CH2 3.87Å; I93-W138 HydrophobicContact CD1-CZ3 4.3Å; I93-W138 HydrophobicContact CG1-CH2 4.33Å
94	K	98.1	Very high	96.9	Very high	69 Å²	69	47.5 Å²	47.5	30%	0.3	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-54.4	-178.1	-61.4	173.5	180	174.4	0	112.2	Q91 D92 M96 R97 D98 L134 W138	Q91-K94 WeakPolarHBondContact O-CB 3.37Å; Q91-K94 PolarHBondContact O-N 3.01Å; D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 2.84Å; K94-M96 PolarHBondContact O-N 2.81Å; K94-R97 WeakPolarHBondContact O-CB 3.5Å; K94-R97 PolarHBondContact O-N 3.48Å; K94-R97 VanDerWaalsContact O-N 3.12Å; K94-D98 PolarHBondContact O-N 3.23Å; K94-L134 HydrophobicContact CG-CD2 4.43Å; K94-W138 HydrophobicContact CB-CZ2 4.49Å; K94-W138 HydrophobicContact CG-CZ2 4.16Å
95	P	95.6	Very high	96.4	Very high	79 Å²	79	58 Å²	58	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-28.6	173.7	24.8	-34.6	0	0	0	112.9	Q91 D92 D98 Q99	Q91-P95 WeakPolarHBondContact O-CD 3.35Å; D92-P95 VanDerWaalsContact O-CD 3.29Å; D92-P95 WeakPolarHBondContact O-CD 2.85Å; D92-P95 VanDerWaalsContact O-CG 3.31Å; D92-P95 WeakPolarHBondContact O-CG 3.44Å; P95-D98 PolarHBondContact O-N 2.91Å; P95-Q99 WeakPolarHBondContact O-CB 3.35Å; P95-Q99 PolarHBondContact O-N 2.92Å
96	M	95.7	Very high	95.4	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-41.6	173	-62	-173.4	-164.1	0	0	111.7	L80 D92 I93 K94 Q99 I100	L80-M96 HydrophobicContact CD2-CB 3.96Å; D92-M96 HydrophobicContact CB-CE 4.47Å; D92-M96 WeakPolarHBondContact O-CG 3.32Å; I93-M96 WeakPolarHBondContact O-CB 3.25Å; I93-M96 PolarHBondContact O-N 2.86Å; K94-M96 PolarHBondContact O-N 2.81Å; M96-Q99 WeakPolarHBondContact O-CB 3.4Å; M96-Q99 PolarHBondContact O-N 3.29Å; M96-I100 WeakPolarHBondContact O-CG1 3.45Å; M96-I100 PolarHBondContact O-N 2.91Å
97	R	96.5	Very high	94.3	Very high	63 Å²	63	69.7 Å²	69.7	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-44.6	173.3	-178.9	-92.2	175.9	-164.2	2.6	111.3	L80 I93 K94 Q99 I100 V101 L111 W138	L80-R97 HydrophobicContact CD1-CB 3.68Å; L80-R97 HydrophobicContact CD1-CG 4.27Å; I93-R97 PolarHBondContact O-N 3.37Å; K94-R97 WeakPolarHBondContact O-CB 3.5Å; K94-R97 PolarHBondContact O-N 3.48Å; K94-R97 VanDerWaalsContact O-N 3.12Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.2Å; R97-I100 WeakPolarHBondContact O-CB 3.37Å; R97-I100 PolarHBondContact O-N 2.86Å; R97-I100 VanDerWaalsContact O-N 3.15Å; R97-V101 PolarHBondContact O-N 3.11Å; R97-L111 HydrophobicContact CG-CD1 4.31Å; R97-W138 HydrophobicContact CB-CE3 4.42Å; R97-W138 HydrophobicContact CB-CH2 3.57Å; R97-W138 HydrophobicContact CB-CZ2 3.68Å; R97-W138 HydrophobicContact CB-CZ3 3.97Å; R97-W138 HydrophobicContact CG-CD2 3.78Å; R97-W138 HydrophobicContact CG-CE3 3.89Å; R97-W138 HydrophobicContact CG-CG 4.4Å; R97-W138 HydrophobicContact CG-CH2 3.91Å; R97-W138 HydrophobicContact CG-CZ2 3.82Å; R97-W138 HydrophobicContact CG-CZ3 3.95Å
98	D	95.4	Very high	93.6	Very high	86 Å²	86	73.3 Å²	73.3	46%	0.46	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-37	179	-66.5	-23.6	0	0	0	111.8	K94 P95 V101 R102	K94-D98 PolarHBondContact O-N 3.23Å; P95-D98 PolarHBondContact O-N 2.91Å; D98-V101 PolarHBondContact O-N 2.86Å; D98-R102 VanDerWaalsContact O-CB 3.27Å; D98-R102 WeakPolarHBondContact O-CB 3.31Å; D98-R102 PolarHBondContact O-N 2.82Å
99	Q	95.1	Very high	93.3	Very high	28 Å²	28	69 Å²	69	13%	0.131	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-42.2	172.3	-170.5	174	-2.9	0	0	111.8	D69 I72 P95 M96 R97 R102 V103	D69-Q99 WeakPolarHBondContact OD1-CG 3.3Å; D69-Q99 PolarHBondContact OD1-NE2 3.14Å; I72-Q99 HydrophobicContact CD1-CB 4.34Å; I72-Q99 HydrophobicContact CD1-CG 3.83Å; P95-Q99 WeakPolarHBondContact O-CB 3.35Å; P95-Q99 PolarHBondContact O-N 2.92Å; M96-Q99 WeakPolarHBondContact O-CB 3.4Å; M96-Q99 PolarHBondContact O-N 3.29Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.2Å; Q99-R102 PolarHBondContact O-N 3.08Å; Q99-V103 HydrophobicContact CG-CG2 4.5Å; Q99-V103 WeakPolarHBondContact O-CB 3.14Å; Q99-V103 VanDerWaalsContact O-CG2 3.3Å; Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 3.32Å
100	I	96.1	Very high	93.2	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.4	-52.8	175.2	-70.4	162	0	0	0	110.9	L9 I72 F78 L80 M96 R97 R102 V103 K104 V109 L111	L9-I100 HydrophobicContact CD1-CD1 3.83Å; L9-I100 HydrophobicContact CD1-CG1 4.12Å; I72-I100 HydrophobicContact CD1-CG1 3.78Å; I72-I100 HydrophobicContact CG1-CG1 3.97Å; I72-I100 HydrophobicContact CG2-CB 4.47Å; I72-I100 HydrophobicContact CG2-CG1 4.35Å; F78-I100 HydrophobicContact CB-CD1 3.9Å; F78-I100 HydrophobicContact CD1-CD1 4.01Å; F78-I100 HydrophobicContact CD1-CG1 4.12Å; F78-I100 HydrophobicContact CD2-CG2 3.64Å; F78-I100 HydrophobicContact CE2-CG2 3.84Å; F78-I100 HydrophobicContact CG-CD1 3.87Å; F78-I100 HydrophobicContact CG-CG1 4.21Å; F78-I100 HydrophobicContact CG-CG2 4Å; F78-I100 HydrophobicContact CZ-CG2 4.39Å; L80-I100 HydrophobicContact CD1-CD1 4.05Å; L80-I100 HydrophobicContact CD2-CD1 3.95Å; L80-I100 HydrophobicContact CG-CD1 4.04Å; M96-I100 WeakPolarHBondContact O-CG1 3.45Å; M96-I100 PolarHBondContact O-N 2.91Å; R97-I100 WeakPolarHBondContact O-CB 3.37Å; R97-I100 PolarHBondContact O-N 2.86Å; R97-I100 VanDerWaalsContact O-N 3.15Å; I100-R102 PolarHBondContact O-N 3.45Å; I100-V103 PolarHBondContact O-N 2.89Å; I100-K104 HydrophobicContact CG2-CG 4.46Å; I100-K104 WeakPolarHBondContact O-CB 3.47Å; I100-K104 WeakPolarHBondContact O-CG 3.49Å; I100-K104 PolarHBondContact O-N 3.41Å; I100-V109 HydrophobicContact CG2-CB 4.41Å; I100-V109 HydrophobicContact CG2-CG1 3.75Å; I100-L111 HydrophobicContact CD1-CD1 4.05Å; I100-L111 HydrophobicContact CG2-CD1 4.43Å
101	V	94.7	Very high	93.2	Very high	50 Å²	50	69.6 Å²	69.6	30%	0.303	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-45.2	-179	173.8	0	0	0	0	111.1	R97 D98 V103 K104 R105	R97-V101 PolarHBondContact O-N 3.11Å; D98-V101 PolarHBondContact O-N 2.86Å; V101-V103 PolarHBondContact O-N 2.83Å; V101-K104 PolarHBondContact O-N 3.01Å; V101-R105 PolarHBondContact O-N 2.77Å
102	R	94.5	Very high	93.2	Very high	158 Å²	158	66.3 Å²	66.3	60%	0.596	30%	0.302	S	S	*	.	H	α-helix	trans	-59.2	-45.4	178.9	-176.8	-173.6	71.8	-171.8	3.1	112.6	D69 D98 Q99 I100 R105	D69-R102 IonicContact OD1-NH2 3.56Å; D69-R102 IonicContact OD2-NH2 3.72Å; D98-R102 VanDerWaalsContact O-CB 3.27Å; D98-R102 WeakPolarHBondContact O-CB 3.31Å; D98-R102 PolarHBondContact O-N 2.82Å; Q99-R102 PolarHBondContact O-N 3.08Å; I100-R102 PolarHBondContact O-N 3.45Å; R102-R105 WeakPolarHBondContact O-CG 3.06Å
103	V	95.6	Very high	93.3	Very high	37 Å²	37	64 Å²	64	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-74.3	-38.5	-177.9	172.8	0	0	0	0	111.1	D69 I72 K73 Q99 I100 V101	D69-V103 HydrophobicContact CB-CG2 4.37Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.27Å; I72-V103 HydrophobicContact CB-CB 4.36Å; I72-V103 HydrophobicContact CB-CG1 4.1Å; I72-V103 HydrophobicContact CG2-CB 3.63Å; I72-V103 HydrophobicContact CG2-CG1 3.63Å; I72-V103 HydrophobicContact CG2-CG2 4.38Å; K73-V103 HydrophobicContact CB-CG1 4.14Å; Q99-V103 HydrophobicContact CG-CG2 4.5Å; Q99-V103 WeakPolarHBondContact O-CB 3.14Å; Q99-V103 VanDerWaalsContact O-CG2 3.3Å; Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 3.32Å; I100-V103 PolarHBondContact O-N 2.89Å; V101-V103 PolarHBondContact O-N 2.83Å
104	K	93.8	Very high	93.3	Very high	30 Å²	30	64 Å²	64	13%	0.13	29%	0.289	C	S	.	.	H	α-helix	trans	-75.9	-33.8	-177.2	-77.6	-70.6	173.7	-154.4	0	114.5	I72 K73 G75 F78 I100 V101 Y106 V109	I72-K104 HydrophobicContact CG2-CG 4.2Å; I72-K104 WeakPolarHBondContact O-CE 3.36Å; I72-K104 PolarHBondContact O-NZ 3.09Å; K73-K104 PolarHBondContact O-NZ 2.9Å; G75-K104 WeakPolarHBondContact O-CE 3.47Å; G75-K104 PolarHBondContact O-NZ 2.73Å; F78-K104 HydrophobicContact CE2-CD 4.34Å; F78-K104 HydrophobicContact CE2-CG 4.08Å; F78-K104 VanDerWaalsContact CZ-CE 3.42Å; F78-K104 HydrophobicContact CZ-CG 4.38Å; I100-K104 HydrophobicContact CG2-CG 4.46Å; I100-K104 WeakPolarHBondContact O-CB 3.47Å; I100-K104 WeakPolarHBondContact O-CG 3.49Å; I100-K104 PolarHBondContact O-N 3.41Å; V101-K104 PolarHBondContact O-N 3.01Å; K104-Y106 HydrophobicContact CB-CD2 4.04Å; K104-Y106 HydrophobicContact CD-CD2 4.11Å; K104-Y106 HydrophobicContact CD-CE2 4.09Å; K104-Y106 WeakPolarHBondContact O-CD2 3.5Å; K104-Y106 PolarHBondContact O-N 3.14Å; K104-Y106 VanDerWaalsContact O-N 3.1Å; K104-V109 HydrophobicContact CB-CG2 3.65Å; K104-V109 HydrophobicContact CG-CG1 4.06Å; K104-V109 HydrophobicContact CG-CG2 4.09Å
105	R	87.6	Confident	93.4	Very high	221 Å²	221	60.7 Å²	60.7	83%	0.834	28%	0.275	S	S	*	.			trans	56.8	21.2	-179.7	-50.5	-179.9	178.1	-171.5	-1.8	114.2	V101 R102	V101-R105 PolarHBondContact O-N 2.77Å; R102-R105 WeakPolarHBondContact O-CG 3.06Å
106	Y	79	Confident	93.5	Very high	157 Å²	157	57 Å²	57	62%	0.616	25%	0.251	S	S	*	.			trans	-101.7	146.6	174.2	-59.6	-49.5	0	0	0	109.8	K104 K108	K104-Y106 HydrophobicContact CB-CD2 4.04Å; K104-Y106 HydrophobicContact CD-CD2 4.11Å; K104-Y106 HydrophobicContact CD-CE2 4.09Å; K104-Y106 WeakPolarHBondContact O-CD2 3.5Å; K104-Y106 PolarHBondContact O-N 3.14Å; K104-Y106 VanDerWaalsContact O-N 3.1Å; Y106-K108 VanDerWaalsContact C-N 3.3Å; Y106-K108 PolarHBondContact O-N 2.82Å
107	E	74.8	Confident	93.7	Very high	179 Å²	179	59.5 Å²	59.5	84%	0.836	26%	0.262	S	S	*	.	S	Bend	trans	-62.9	-38.6	176.8	-66.8	-174.7	174.9	0	0	111.9
108	K	83.9	Confident	93.8	Very high	134 Å²	134	58.3 Å²	58.3	58%	0.583	26%	0.261	S	S	*	.	S	Bend	trans	-125.6	113.4	176.5	-70.8	173.7	-176.4	156.5	0	109.9	Y106 E171	Y106-K108 VanDerWaalsContact C-N 3.3Å; Y106-K108 PolarHBondContact O-N 2.82Å; K108-E171 IonicContact NZ-OE1 3.85Å; K108-E171 PolarHBondContact NZ-OE1 3.3Å
109	V	92.4	Very high	93.9	Very high	25 Å²	25	56.9 Å²	56.9	15%	0.152	25%	0.254	C	S	.	.			trans	-100.5	127.6	174.2	-177.4	0	0	0	0	108.1	F78 I100 K104 L111	F78-V109 HydrophobicContact CD2-CG1 3.44Å; F78-V109 VanDerWaalsContact CD2-CG1 3.44Å; F78-V109 HydrophobicContact CE2-CG1 3.5Å; F78-V109 VanDerWaalsContact CE2-CG1 3.5Å; I100-V109 HydrophobicContact CG2-CB 4.41Å; I100-V109 HydrophobicContact CG2-CG1 3.75Å; K104-V109 HydrophobicContact CB-CG2 3.65Å; K104-V109 HydrophobicContact CG-CG1 4.06Å; K104-V109 HydrophobicContact CG-CG2 4.09Å; V109-L111 WeakPolarHBondContact O-CB 3.41Å; V109-L111 PolarHBondContact O-N 3.01Å
110	P	96.9	Very high	94.1	Very high	12 Å²	12	57.6 Å²	57.6	8%	0.078	26%	0.258	C	S	.	.			trans	-55.7	110.2	173.3	-23.9	31.9	0	0	0	110.5	Q76 G77 F78 Q163 M164 S167	Q76-P110 WeakPolarHBondContact O-CG 3.45Å; G77-P110 CarbonylContact C-O 3.57Å; G77-P110 VanDerWaalsContact CA-O 3.28Å; G77-P110 WeakPolarHBondContact CA-O 3.41Å; F78-P110 PolarHBondContact N-O 2.94Å; P110-Q163 HydrophobicContact CB-CB 3.98Å; P110-M164 HydrophobicContact CB-CB 4.37Å; P110-M164 HydrophobicContact CB-CG 3.58Å; P110-M164 HydrophobicContact CG-CB 4.38Å; P110-M164 HydrophobicContact CG-CG 3.85Å; P110-S167 WeakPolarHBondContact CG-OG 3.35Å
111	L	97.9	Very high	94.1	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.052	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.5	-171.7	-174.4	142.7	0	0	0	109.4	F78 L80 R97 I100 V109 W138 C140 P141	F78-L111 HydrophobicContact CB-CD1 4.37Å; F78-L111 HydrophobicContact CB-CG 4.44Å; F78-L111 CarbonylContact O-C 3.55Å; F78-L111 VanDerWaalsContact O-CA 3.27Å; F78-L111 WeakPolarHBondContact O-CA 3.49Å; L80-L111 HydrophobicContact CD1-CD1 3.78Å; L80-L111 HydrophobicContact CD1-CD2 4.35Å; L80-L111 HydrophobicContact CD1-CG 4.34Å; L80-L111 HydrophobicContact CG-CD1 4.39Å; R97-L111 HydrophobicContact CG-CD1 4.31Å; I100-L111 HydrophobicContact CD1-CD1 4.05Å; I100-L111 HydrophobicContact CG2-CD1 4.43Å; V109-L111 WeakPolarHBondContact O-CB 3.41Å; V109-L111 PolarHBondContact O-N 3.01Å; L111-W138 HydrophobicContact CD2-CE3 4.04Å; L111-W138 HydrophobicContact CD2-CZ3 4.48Å; L111-C140 HydrophobicContact CD2-CB 3.78Å; L111-C140 WeakPolarHBondContact CD2-SG 3.41Å; L111-C140 WeakPolarHBondContact O-CB 3.49Å; L111-P141 WeakPolarHBondContact O-CD 3.42Å
112	I	98.7	Very high	94.3	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133	169.9	-61.2	176.6	0	0	0	108.7	F78 L80 V114 P141 M143 L156 E159 I160 Q163	F78-I112 PolarHBondContact O-N 3.06Å; L80-I112 PolarHBondContact N-O 2.85Å; I112-V114 HydrophobicContact CG2-CG2 3.91Å; I112-P141 HydrophobicContact CG1-CB 4.3Å; I112-P141 HydrophobicContact CG1-CG 4.27Å; I112-P141 HydrophobicContact CG2-CB 4.42Å; I112-M143 HydrophobicContact CG2-CG 4.42Å; I112-M143 HydrophobicContact CG2-SD 4.42Å; I112-L156 HydrophobicContact CB-CD1 4.36Å; I112-L156 HydrophobicContact CD1-CD1 4.26Å; I112-L156 HydrophobicContact CG2-CD1 3.84Å; I112-E159 HydrophobicContact CD1-CB 3.65Å; I112-E159 HydrophobicContact CD1-CG 3.5Å; I112-E159 HydrophobicContact CG1-CG 4.47Å; I112-I160 HydrophobicContact CD1-CB 3.81Å; I112-I160 HydrophobicContact CD1-CD1 4.09Å; I112-I160 VanDerWaalsContact CD1-N 3.27Å; I112-I160 HydrophobicContact CG1-CD1 3.94Å; I112-Q163 HydrophobicContact CD1-CG 4.23Å; I112-Q163 HydrophobicContact CG1-CG 4.05Å
113	L	98.9	Very high	94.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.2	171.1	177.6	59.6	0	0	0	110	Y82 I93 G131 L134 A135 W138 P141 F142 M143	Y82-L113 HydrophobicContact CD1-CD1 3.78Å; Y82-L113 HydrophobicContact CE1-CD1 3.82Å; Y82-L113 HydrophobicContact CE1-CG 4.1Å; I93-L113 HydrophobicContact CD1-CD1 3.28Å; L113-G131 WeakPolarHBondContact CD2-O 3.05Å; L113-L134 HydrophobicContact CD2-CB 4.04Å; L113-L134 HydrophobicContact CD2-CD2 4Å; L113-L134 HydrophobicContact CD2-CG 4.14Å; L113-A135 HydrophobicContact CB-CB 4.32Å; L113-A135 HydrophobicContact CD2-CB 4.04Å; L113-W138 HydrophobicContact CD1-CZ3 4Å; L113-W138 HydrophobicContact CD2-CZ3 4.41Å; L113-P141 PolarHBondContact N-O 2.92Å; L113-F142 HydrophobicContact CB-CD2 4.29Å; L113-F142 HydrophobicContact CD2-CD2 4.12Å; L113-F142 HydrophobicContact CG-CD2 3.92Å; L113-F142 HydrophobicContact CG-CE2 4.44Å; L113-F142 WeakPolarHBondContact O-CA 3.37Å; L113-F142 WeakPolarHBondContact O-CD2 3.29Å; L113-M143 PolarHBondContact O-N 2.94Å
114	V	99	Very high	94.6	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.2	-175.1	-176.5	0	0	0	0	111.7	L19 I79 L80 V81 Y82 I112 M143 T145 L156	L19-V114 HydrophobicContact CD1-CG1 4.38Å; I79-V114 HydrophobicContact CG2-CB 4.46Å; I79-V114 HydrophobicContact CG2-CG2 3.67Å; L80-V114 PolarHBondContact O-N 3.08Å; V81-V114 WeakPolarHBondContact CA-O 3.39Å; V81-V114 HydrophobicContact CG1-CG1 4.46Å; V81-V114 HydrophobicContact CG2-CB 4.34Å; Y82-V114 WeakPolarHBondContact CD1-O 3.23Å; Y82-V114 PolarHBondContact N-O 3.2Å; I112-V114 HydrophobicContact CG2-CG2 3.91Å; V114-M143 VanDerWaalsContact CA-O 3.31Å; V114-M143 WeakPolarHBondContact CA-O 3.11Å; V114-T145 HydrophobicContact CG1-CG2 3.78Å; V114-T145 VanDerWaalsContact CG1-OG1 3.27Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.45Å; V114-L156 HydrophobicContact CG1-CD2 4.22Å; V114-L156 HydrophobicContact CG2-CD1 3.4Å; V114-L156 VanDerWaalsContact CG2-CD1 3.4Å; V114-L156 HydrophobicContact CG2-CD2 3.93Å; V114-L156 HydrophobicContact CG2-CG 4.32Å
115	G	98.9	Very high	94.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	105.8	164.2	0	0	0	0	0	110.2	Y82 M143 E144 T145	Y82-G115 VanDerWaalsContact CZ-CA 3.48Å; G115-M143 PolarHBondContact N-O 3.31Å; G115-E144 CarbonylContact O-C 3.51Å; G115-E144 WeakPolarHBondContact O-CA 3.35Å; G115-T145 PolarHBondContact O-N 3.39Å
116	N	98.9	Very high	95.4	Very high	3 Å²	3	57 Å²	57	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	165.1	-179.5	-173.3	35	0	0	0	112.3	V14 L19 V81 Y82 L84 T145 A147	V14-N116 PolarHBondContact O-ND2 3.37Å; L19-N116 HydrophobicContact CD1-CB 4.26Å; V81-N116 HydrophobicContact CG1-CB 3.8Å; Y82-N116 PolarHBondContact O-N 3.28Å; L84-N116 WeakPolarHBondContact CB-O 3.3Å; L84-N116 VanDerWaalsContact CG-O 3.32Å; L84-N116 WeakPolarHBondContact CG-O 3.28Å; L84-N116 PolarHBondContact N-O 3.17Å; N116-T145 CarbonylContact C-O 3.45Å; N116-T145 WeakPolarHBondContact CA-O 3.33Å; N116-T145 PolarHBondContact OD1-O 3.02Å; N116-T145 PolarHBondContact OD1-OG1 2.99Å; N116-A147 PolarHBondContact OD1-N 3.33Å
117	K	98.5	Very high	96.3	Very high	56 Å²	56	53.6 Å²	53.6	24%	0.243	27%	0.267	C	S	.	.			trans	74.4	39.2	179.9	-46.6	-173.7	-171.4	174.6	0	114.1	G13 V85 D119 L120 T145	G13-K117 VanDerWaalsContact O-CE 3.26Å; G13-K117 WeakPolarHBondContact O-CE 3.32Å; G13-K117 PolarHBondContact O-NZ 3.5Å; V85-K117 HydrophobicContact CG2-CD 4Å; K117-D119 WeakPolarHBondContact CA-OD1 3.38Å; K117-D119 PolarHBondContact O-N 2.97Å; K117-D119 VanDerWaalsContact O-N 3.14Å; K117-L120 HydrophobicContact CB-CD1 4.13Å; K117-L120 HydrophobicContact CB-CG 4.35Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 PolarHBondContact O-N 3.42Å; K117-T145 PolarHBondContact N-O 3.49Å
118	V	98.6	Very high	97.5	Very high	38 Å²	38	46.4 Å²	46.4	23%	0.23	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.6	-17.2	174.8	73.4	0	0	0	0	112.9	L84 L120 E121 T145	L84-V118 HydrophobicContact CD1-CB 3.82Å; L84-V118 HydrophobicContact CD1-CG2 4.22Å; V118-L120 PolarHBondContact O-N 2.93Å; V118-E121 PolarHBondContact O-N 3.03Å; V118-T145 PolarHBondContact N-O 3.41Å
119	D	98.3	Very high	98.2	Very high	57 Å²	57	43.5 Å²	43.5	31%	0.305	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-66.1	-16.5	171	57.9	-71.8	0	0	0	113.9	K117 S146 K148	K117-D119 WeakPolarHBondContact CA-OD1 3.38Å; K117-D119 PolarHBondContact O-N 2.97Å; K117-D119 VanDerWaalsContact O-N 3.14Å; D119-S146 VanDerWaalsContact OD1-CB 3.26Å; D119-S146 WeakPolarHBondContact OD1-CB 3.48Å; D119-S146 PolarHBondContact OD1-OG 2.77Å; D119-K148 WeakPolarHBondContact OD2-CD 3.32Å
120	L	98	Very high	98.5	Very high	43 Å²	43	45.4 Å²	45.4	23%	0.225	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-101.6	37.2	178.1	-56.9	-179.5	0	0	0	112.1	V85 K117 V118 P122 E123 R124	V85-L120 HydrophobicContact CG1-CB 3.56Å; V85-L120 HydrophobicContact CG1-CD1 4.26Å; V85-L120 WeakPolarHBondContact CG1-O 3.24Å; V85-L120 HydrophobicContact CG2-CD1 4.04Å; K117-L120 HydrophobicContact CB-CD1 4.13Å; K117-L120 HydrophobicContact CB-CG 4.35Å; K117-L120 HydrophobicContact CD-CD1 4Å; K117-L120 PolarHBondContact O-N 3.42Å; V118-L120 PolarHBondContact O-N 2.93Å; L120-P122 VanDerWaalsContact C-N 3.31Å; L120-E123 HydrophobicContact CB-CB 4.43Å; L120-E123 WeakPolarHBondContact O-CA 3.49Å; L120-E123 PolarHBondContact O-N 3.12Å; L120-R124 PolarHBondContact O-N 3.32Å
121	E	97.7	Very high	98.6	Very high	98 Å²	98	44.9 Å²	44.9	46%	0.458	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-48.6	-40.5	-178.5	-168.1	63.3	-154.2	0	0	114.8	V118 E123 R124	V118-E121 PolarHBondContact O-N 3.03Å; E121-E123 PolarHBondContact O-N 2.61Å; E121-R124 WeakPolarHBondContact O-CB 3.27Å; E121-R124 PolarHBondContact O-N 2.88Å; E121-R124 VanDerWaalsContact O-N 3.1Å; E121-R124 WeakPolarHBondContact OE1-CD 3.31Å; E121-R124 IonicContact OE1-CZ 3.49Å; E121-R124 IonicContact OE1-NE 2.9Å; E121-R124 PolarHBondContact OE1-NE 3.28Å; E121-R124 IonicContact OE1-NH2 3.09Å; E121-R124 IonicContact OE2-CZ 3.25Å; E121-R124 VanDerWaalsContact OE2-CZ 3.25Å; E121-R124 IonicContact OE2-NE 2.92Å; E121-R124 PolarHBondContact OE2-NE 2.92Å; E121-R124 IonicContact OE2-NH2 3.14Å; E121-R124 PolarHBondContact OE2-NH2 3.21Å
122	P	98.3	Very high	98.6	Very high	129 Å²	129	51.5 Å²	51.5	84%	0.838	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-63.5	-20.3	177	-22.7	35.5	0	0	0	114.7	L120	L120-P122 VanDerWaalsContact C-N 3.31Å
123	E	98.5	Very high	98.6	Very high	119 Å²	119	54.2 Å²	54.2	56%	0.556	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-101.2	6.4	179.5	-63	171.6	-120.2	0	0	111.7	V85 L120 E121 E125	V85-E123 HydrophobicContact CB-CB 4.13Å; V85-E123 WeakPolarHBondContact CB-O 3.49Å; V85-E123 HydrophobicContact CG1-CB 3.68Å; V85-E123 WeakPolarHBondContact CG1-O 3.14Å; L120-E123 HydrophobicContact CB-CB 4.43Å; L120-E123 WeakPolarHBondContact O-CA 3.49Å; L120-E123 PolarHBondContact O-N 3.12Å; E121-E123 PolarHBondContact O-N 2.61Å; E123-E125 PolarHBondContact O-N 2.81Å
124	R	98.7	Very high	98.6	Very high	32 Å²	32	54.7 Å²	54.7	12%	0.121	29%	0.286	C	S	.	.			trans	-60.3	126.3	-175.8	-179.3	-173.8	-75.4	-95.3	7.1	111.3	L84 L120 E121 V126 M127 S128 E144	L84-R124 VanDerWaalsContact CD2-NH1 3.29Å; L120-R124 PolarHBondContact O-N 3.32Å; E121-R124 WeakPolarHBondContact O-CB 3.27Å; E121-R124 PolarHBondContact O-N 2.88Å; E121-R124 VanDerWaalsContact O-N 3.1Å; E121-R124 WeakPolarHBondContact OE1-CD 3.31Å; E121-R124 IonicContact OE1-CZ 3.49Å; E121-R124 IonicContact OE1-NE 2.9Å; E121-R124 PolarHBondContact OE1-NE 3.28Å; E121-R124 IonicContact OE1-NH2 3.09Å; E121-R124 IonicContact OE2-CZ 3.25Å; E121-R124 VanDerWaalsContact OE2-CZ 3.25Å; E121-R124 IonicContact OE2-NE 2.92Å; E121-R124 PolarHBondContact OE2-NE 2.92Å; E121-R124 IonicContact OE2-NH2 3.14Å; E121-R124 PolarHBondContact OE2-NH2 3.21Å; R124-V126 VanDerWaalsContact CD-O 3.31Å; R124-V126 WeakPolarHBondContact CD-O 3.41Å; R124-V126 WeakPolarHBondContact CG-O 3.35Å; R124-V126 PolarHBondContact NH1-O 3.34Å; R124-M127 HydrophobicContact CG-CE 3.77Å; R124-S128 PolarHBondContact NH1-OG 2.66Å; R124-E144 IonicContact CZ-OE1 3.67Å; R124-E144 IonicContact CZ-OE2 2.81Å; R124-E144 IonicContact NH1-OE1 2.83Å; R124-E144 PolarHBondContact NH1-OE1 2.78Å; R124-E144 IonicContact NH1-OE2 2.73Å; R124-E144 PolarHBondContact NH1-OE2 3.17Å; R124-E144 IonicContact NH2-OE1 3.71Å; R124-E144 IonicContact NH2-OE2 3.65Å; R124-E144 PolarHBondContact NH2-OE2 2.96Å
125	E	98.7	Very high	98.6	Very high	106 Å²	106	54.9 Å²	54.9	50%	0.495	29%	0.287	S	S	.	.			trans	-104.9	-32.3	173.4	-61.7	-175.2	176.4	0	0	111.9	L84 N86 Q87 E123	L84-E125 PolarHBondContact O-N 3.42Å; N86-E125 VanDerWaalsContact CA-OE2 3.31Å; N86-E125 WeakPolarHBondContact CA-OE2 3.41Å; Q87-E125 HydrophobicContact CB-CB 4.29Å; Q87-E125 PolarHBondContact N-OE2 3.29Å; Q87-E125 PolarHBondContact OE1-O 3.46Å; E123-E125 PolarHBondContact O-N 2.81Å
126	V	98.8	Very high	98.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-105	121.1	-178.3	-173.2	0	0	0	0	110.3	Y82 L84 F90 R124 E130	Y82-V126 HydrophobicContact CD2-CG1 4.49Å; Y82-V126 HydrophobicContact CD2-CG2 4.19Å; Y82-V126 HydrophobicContact CE2-CB 3.84Å; Y82-V126 HydrophobicContact CE2-CG1 3.6Å; Y82-V126 HydrophobicContact CE2-CG2 3.98Å; L84-V126 PolarHBondContact O-N 3.3Å; F90-V126 HydrophobicContact CB-CG1 4.38Å; F90-V126 HydrophobicContact CB-CG2 3.75Å; F90-V126 HydrophobicContact CD1-CG1 4.11Å; F90-V126 HydrophobicContact CD2-CG1 4.05Å; F90-V126 HydrophobicContact CE1-CG1 4.41Å; F90-V126 HydrophobicContact CE2-CG1 4.35Å; F90-V126 HydrophobicContact CG-CG1 3.93Å; F90-V126 HydrophobicContact CG-CG2 4.19Å; R124-V126 VanDerWaalsContact CD-O 3.31Å; R124-V126 WeakPolarHBondContact CD-O 3.41Å; R124-V126 WeakPolarHBondContact CG-O 3.35Å; R124-V126 PolarHBondContact NH1-O 3.34Å; V126-E130 HydrophobicContact CG1-CB 4.18Å
127	M	98.6	Very high	98.5	Very high	84 Å²	84	69.7 Å²	69.7	41%	0.414	36%	0.356	S	S	.	.			trans	-76.2	145.7	179.3	-61.4	-59.5	111.4	0	0	111.5	R124 S129 E130 G131	R124-M127 HydrophobicContact CG-CE 3.77Å; M127-S129 PolarHBondContact O-N 3.41Å; M127-S129 VanDerWaalsContact O-N 3.08Å; M127-E130 HydrophobicContact CB-CG 4.34Å; M127-E130 WeakPolarHBondContact CB-OE2 3.49Å; M127-E130 PolarHBondContact N-OE2 3.22Å; M127-E130 WeakPolarHBondContact O-CB 3.33Å; M127-E130 PolarHBondContact O-N 3.08Å; M127-G131 PolarHBondContact O-N 3.07Å
128	S	98.6	Very high	98.3	Very high	28 Å²	28	68.6 Å²	68.6	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-58.3	-26.3	176.7	-48.3	0	0	0	0	113.2	R124 R132 E144	R124-S128 PolarHBondContact NH1-OG 2.66Å; S128-R132 WeakPolarHBondContact O-CB 3.28Å; S128-R132 WeakPolarHBondContact O-CG 3.4Å; S128-R132 PolarHBondContact O-N 3.36Å; S128-R132 PolarHBondContact O-NE 2.83Å; S128-E144 VanDerWaalsContact CA-OE1 3.31Å; S128-E144 WeakPolarHBondContact CA-OE1 3.26Å; S128-E144 WeakPolarHBondContact CB-OE1 3.19Å; S128-E144 VanDerWaalsContact OG-CD 3.27Å; S128-E144 PolarHBondContact OG-OE1 3.04Å; S128-E144 PolarHBondContact OG-OE2 3.48Å
129	S	98.7	Very high	98.2	Very high	73 Å²	73	70.2 Å²	70.2	51%	0.51	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-35	173.5	49.7	0	0	0	0	112.9	M127 A133	M127-S129 PolarHBondContact O-N 3.41Å; M127-S129 VanDerWaalsContact O-N 3.08Å; S129-A133 VanDerWaalsContact O-CB 3.29Å; S129-A133 WeakPolarHBondContact O-CB 3.32Å; S129-A133 PolarHBondContact O-N 3.42Å
130	E	98.7	Very high	98.1	Very high	66 Å²	66	68.5 Å²	68.5	31%	0.308	37%	0.367	S	S	.	.	H	α-helix	trans	-69.6	-46.5	178.2	-64.7	173.8	85.9	0	0	110.7	F90 V126 M127 R132 A133 L134	F90-E130 HydrophobicContact CE1-CB 4.1Å; F90-E130 HydrophobicContact CZ-CB 4.03Å; V126-E130 HydrophobicContact CG1-CB 4.18Å; M127-E130 HydrophobicContact CB-CG 4.34Å; M127-E130 WeakPolarHBondContact CB-OE2 3.49Å; M127-E130 PolarHBondContact N-OE2 3.22Å; M127-E130 WeakPolarHBondContact O-CB 3.33Å; M127-E130 PolarHBondContact O-N 3.08Å; E130-R132 PolarHBondContact O-N 2.96Å; E130-A133 PolarHBondContact O-N 2.9Å; E130-L134 WeakPolarHBondContact O-CB 3.37Å; E130-L134 PolarHBondContact O-N 3.46Å
131	G	98.8	Very high	98.1	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-44.7	174.5	0	0	0	0	0	112.4	L113 M127 L134 A135	L113-G131 WeakPolarHBondContact CD2-O 3.05Å; M127-G131 PolarHBondContact O-N 3.07Å; G131-L134 PolarHBondContact O-N 3.4Å; G131-A135 WeakPolarHBondContact O-CB 3.03Å; G131-A135 PolarHBondContact O-N 3.36Å
132	R	98.8	Very high	98.1	Very high	150 Å²	150	65.3 Å²	65.3	57%	0.566	35%	0.353	S	S	*	.	H	α-helix	trans	-61.8	-44.9	175.2	-79.7	-174.2	-80.8	-125.7	2.5	113	S128 E130 A135 Q136 F142	S128-R132 WeakPolarHBondContact O-CB 3.28Å; S128-R132 WeakPolarHBondContact O-CG 3.4Å; S128-R132 PolarHBondContact O-N 3.36Å; S128-R132 PolarHBondContact O-NE 2.83Å; E130-R132 PolarHBondContact O-N 2.96Å; R132-A135 PolarHBondContact O-N 3.02Å; R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 PolarHBondContact O-N 3.47Å; R132-F142 HydrophobicContact CB-CD1 4.37Å; R132-F142 HydrophobicContact CG-CD1 3.41Å; R132-F142 VanDerWaalsContact CG-CD1 3.41Å; R132-F142 HydrophobicContact CG-CE1 3.84Å; R132-F142 HydrophobicContact CG-CG 4.33Å
133	A	98.8	Very high	98.2	Very high	56 Å²	56	60.3 Å²	60.3	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-43.8	178.8	0	0	0	0	0	111.4	S129 E130 Q136 E137	S129-A133 VanDerWaalsContact O-CB 3.29Å; S129-A133 WeakPolarHBondContact O-CB 3.32Å; S129-A133 PolarHBondContact O-N 3.42Å; E130-A133 PolarHBondContact O-N 2.9Å; A133-Q136 PolarHBondContact O-N 3.5Å; A133-E137 PolarHBondContact O-N 2.68Å
134	L	98.7	Very high	98.2	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-41.6	178	-172.7	64.3	0	0	0	112.2	F90 I93 K94 L113 E130 G131 Q136 E137 W138	F90-L134 HydrophobicContact CD2-CD2 4.41Å; F90-L134 HydrophobicContact CE2-CB 4.39Å; F90-L134 HydrophobicContact CE2-CD2 3.55Å; F90-L134 HydrophobicContact CZ-CB 4.08Å; F90-L134 HydrophobicContact CZ-CD2 3.65Å; F90-L134 HydrophobicContact CZ-CG 4.48Å; I93-L134 HydrophobicContact CD1-CD2 3.91Å; K94-L134 HydrophobicContact CG-CD2 4.43Å; L113-L134 HydrophobicContact CD2-CB 4.04Å; L113-L134 HydrophobicContact CD2-CD2 4Å; L113-L134 HydrophobicContact CD2-CG 4.14Å; E130-L134 WeakPolarHBondContact O-CB 3.37Å; E130-L134 PolarHBondContact O-N 3.46Å; G131-L134 PolarHBondContact O-N 3.4Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.94Å; L134-E137 WeakPolarHBondContact O-CB 3.24Å; L134-E137 PolarHBondContact O-N 3.46Å; L134-W138 HydrophobicContact CD1-CD2 4.37Å; L134-W138 HydrophobicContact CD1-CZ2 3.75Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.72Å; L134-W138 HydrophobicContact CD2-CZ3 4.32Å; L134-W138 HydrophobicContact CG-CD2 4.1Å; L134-W138 HydrophobicContact CG-CE3 4.44Å; L134-W138 HydrophobicContact CG-CH2 4.17Å; L134-W138 HydrophobicContact CG-CZ2 3.77Å; L134-W138 HydrophobicContact CG-CZ3 4.48Å; L134-W138 VanDerWaalsContact O-CG 3.32Å; L134-W138 PolarHBondContact O-N 2.84Å
135	A	98.7	Very high	98.2	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-36.9	176.3	0	0	0	0	0	112.8	L113 G131 R132 W138 G139 C140 F142	L113-A135 HydrophobicContact CB-CB 4.32Å; L113-A135 HydrophobicContact CD2-CB 4.04Å; G131-A135 WeakPolarHBondContact O-CB 3.03Å; G131-A135 PolarHBondContact O-N 3.36Å; R132-A135 PolarHBondContact O-N 3.02Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 2.9Å; A135-G139 PolarHBondContact O-N 2.87Å; A135-C140 WeakPolarHBondContact CB-O 3.26Å; A135-C140 PolarHBondContact O-N 3.09Å; A135-F142 HydrophobicContact CB-CB 3.56Å; A135-F142 HydrophobicContact CB-CG 4.44Å
136	Q	98.4	Very high	98.2	Very high	163 Å²	163	49.7 Å²	49.7	76%	0.762	27%	0.271	S	S	*	.	H	α-helix	trans	-63.3	-43.5	172.7	-176.6	178.9	2.5	0	0	111.3	R132 A133 L134 W138 G139	R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 PolarHBondContact O-N 3.47Å; A133-Q136 PolarHBondContact O-N 3.5Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.94Å; Q136-W138 VanDerWaalsContact C-N 3.27Å; Q136-W138 PolarHBondContact O-N 3.44Å; Q136-G139 PolarHBondContact O-N 3.2Å
137	E	97.3	Very high	98.2	Very high	151 Å²	151	49.9 Å²	49.9	71%	0.706	27%	0.272	S	S	*	.	H	α-helix	trans	-58.7	-40.4	173.6	-175.4	-169.6	149.2	0	0	111.5	A133 L134 G139	A133-E137 PolarHBondContact O-N 2.68Å; L134-E137 WeakPolarHBondContact O-CB 3.24Å; L134-E137 PolarHBondContact O-N 3.46Å; E137-G139 VanDerWaalsContact C-N 3.34Å
138	W	95.8	Very high	98.2	Very high	34 Å²	34	51.2 Å²	51.2	13%	0.129	28%	0.276	C	S	.	.	H	α-helix	trans	-81.1	-11.1	179.8	-67	-3.4	0	0	0	114.4	L80 I93 K94 R97 L111 L113 L134 A135 Q136 C140	L80-W138 HydrophobicContact CD1-CH2 4.18Å; L80-W138 HydrophobicContact CD1-CZ3 3.76Å; I93-W138 HydrophobicContact CD1-CH2 3.87Å; I93-W138 HydrophobicContact CD1-CZ3 4.3Å; I93-W138 HydrophobicContact CG1-CH2 4.33Å; K94-W138 HydrophobicContact CB-CZ2 4.49Å; K94-W138 HydrophobicContact CG-CZ2 4.16Å; R97-W138 HydrophobicContact CB-CE3 4.42Å; R97-W138 HydrophobicContact CB-CH2 3.57Å; R97-W138 HydrophobicContact CB-CZ2 3.68Å; R97-W138 HydrophobicContact CB-CZ3 3.97Å; R97-W138 HydrophobicContact CG-CD2 3.78Å; R97-W138 HydrophobicContact CG-CE3 3.89Å; R97-W138 HydrophobicContact CG-CG 4.4Å; R97-W138 HydrophobicContact CG-CH2 3.91Å; R97-W138 HydrophobicContact CG-CZ2 3.82Å; R97-W138 HydrophobicContact CG-CZ3 3.95Å; L111-W138 HydrophobicContact CD2-CE3 4.04Å; L111-W138 HydrophobicContact CD2-CZ3 4.48Å; L113-W138 HydrophobicContact CD1-CZ3 4Å; L113-W138 HydrophobicContact CD2-CZ3 4.41Å; L134-W138 HydrophobicContact CD1-CD2 4.37Å; L134-W138 HydrophobicContact CD1-CZ2 3.75Å; L134-W138 HydrophobicContact CD2-CH2 3.79Å; L134-W138 HydrophobicContact CD2-CZ2 3.72Å; L134-W138 HydrophobicContact CD2-CZ3 4.32Å; L134-W138 HydrophobicContact CG-CD2 4.1Å; L134-W138 HydrophobicContact CG-CE3 4.44Å; L134-W138 HydrophobicContact CG-CH2 4.17Å; L134-W138 HydrophobicContact CG-CZ2 3.77Å; L134-W138 HydrophobicContact CG-CZ3 4.48Å; L134-W138 VanDerWaalsContact O-CG 3.32Å; L134-W138 PolarHBondContact O-N 2.84Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 2.9Å; Q136-W138 VanDerWaalsContact C-N 3.27Å; Q136-W138 PolarHBondContact O-N 3.44Å; W138-C140 VanDerWaalsContact C-N 3.33Å
139	G	94.9	Very high	98.1	Very high	72 Å²	72	53.5 Å²	53.5	74%	0.742	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	34.2	-175.3	0	0	0	0	0	113.3	A135 Q136 E137	A135-G139 PolarHBondContact O-N 2.87Å; Q136-G139 PolarHBondContact O-N 3.2Å; E137-G139 VanDerWaalsContact C-N 3.34Å
140	C	96.5	Very high	98.1	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.135	28%	0.284	C	S	.	.	S	Bend	trans	-124.5	161.3	-178.4	72.4	0	0	0	0	112.5	L111 A135 W138	L111-C140 HydrophobicContact CD2-CB 3.78Å; L111-C140 WeakPolarHBondContact CD2-SG 3.41Å; L111-C140 WeakPolarHBondContact O-CB 3.49Å; A135-C140 WeakPolarHBondContact CB-O 3.26Å; A135-C140 PolarHBondContact O-N 3.09Å; W138-C140 VanDerWaalsContact C-N 3.33Å
141	P	98.3	Very high	98.1	Very high	33 Å²	33	53 Å²	53	21%	0.214	29%	0.285	C	S	.	.			trans	-62.9	151.4	169.4	-20.8	32.6	0	0	0	112.7	L111 I112 L113 E159 Q163	L111-P141 WeakPolarHBondContact O-CD 3.42Å; I112-P141 HydrophobicContact CG1-CB 4.3Å; I112-P141 HydrophobicContact CG1-CG 4.27Å; I112-P141 HydrophobicContact CG2-CB 4.42Å; L113-P141 PolarHBondContact N-O 2.92Å; P141-E159 HydrophobicContact CB-CG 4.46Å; P141-E159 HydrophobicContact CG-CG 4.43Å; P141-Q163 HydrophobicContact CG-CG 4.07Å; P141-Q163 VanDerWaalsContact CG-NE2 3.26Å
142	F	98.8	Very high	98.1	Very high	42 Å²	42	56.5 Å²	56.5	18%	0.184	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.1	171	173.6	-115.9	0	0	0	110.4	Y82 L113 R132 A135 E144	Y82-F142 HydrophobicContact CE1-CE2 4.13Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.47Å; L113-F142 HydrophobicContact CB-CD2 4.29Å; L113-F142 HydrophobicContact CD2-CD2 4.12Å; L113-F142 HydrophobicContact CG-CD2 3.92Å; L113-F142 HydrophobicContact CG-CE2 4.44Å; L113-F142 WeakPolarHBondContact O-CA 3.37Å; L113-F142 WeakPolarHBondContact O-CD2 3.29Å; R132-F142 HydrophobicContact CB-CD1 4.37Å; R132-F142 HydrophobicContact CG-CD1 3.41Å; R132-F142 VanDerWaalsContact CG-CD1 3.41Å; R132-F142 HydrophobicContact CG-CE1 3.84Å; R132-F142 HydrophobicContact CG-CG 4.33Å; A135-F142 HydrophobicContact CB-CB 3.56Å; A135-F142 HydrophobicContact CB-CG 4.44Å; F142-E144 HydrophobicContact CE1-CG 3.84Å; F142-E144 HydrophobicContact CE2-CG 4.36Å; F142-E144 HydrophobicContact CZ-CG 3.47Å; F142-E144 VanDerWaalsContact CZ-CG 3.47Å
143	M	98.8	Very high	98.1	Very high	24 Å²	24	49.4 Å²	49.4	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.2	174.6	-58.9	178.5	73.6	0	0	110.5	I112 L113 V114 G115 M152 E155 L156 E159	I112-M143 HydrophobicContact CG2-CG 4.42Å; I112-M143 HydrophobicContact CG2-SD 4.42Å; L113-M143 PolarHBondContact O-N 2.94Å; V114-M143 VanDerWaalsContact CA-O 3.31Å; V114-M143 WeakPolarHBondContact CA-O 3.11Å; G115-M143 PolarHBondContact N-O 3.31Å; M143-M152 HydrophobicContact CE-CB 4.22Å; M143-M152 HydrophobicContact CE-CE 3.35Å; M143-E155 HydrophobicContact CE-CB 3.67Å; M143-L156 HydrophobicContact CE-CB 4.35Å; M143-L156 HydrophobicContact SD-CB 4.24Å; M143-L156 HydrophobicContact SD-CD1 4.21Å; M143-E159 HydrophobicContact SD-CB 4.21Å; M143-E159 HydrophobicContact SD-CG 4.42Å
144	E	98.9	Very high	98.1	Very high	34 Å²	34	49.5 Å²	49.5	16%	0.159	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.1	163	-67.3	-169.5	170.6	0	0	109.6	L84 G115 R124 S128 F142 M152	L84-E144 HydrophobicContact CD1-CB 4.34Å; L84-E144 HydrophobicContact CD1-CG 4.18Å; L84-E144 HydrophobicContact CD2-CG 4.34Å; G115-E144 CarbonylContact O-C 3.51Å; G115-E144 WeakPolarHBondContact O-CA 3.35Å; R124-E144 IonicContact CZ-OE1 3.67Å; R124-E144 IonicContact CZ-OE2 2.81Å; R124-E144 IonicContact NH1-OE1 2.83Å; R124-E144 PolarHBondContact NH1-OE1 2.78Å; R124-E144 IonicContact NH1-OE2 2.73Å; R124-E144 PolarHBondContact NH1-OE2 3.17Å; R124-E144 IonicContact NH2-OE1 3.71Å; R124-E144 IonicContact NH2-OE2 3.65Å; R124-E144 PolarHBondContact NH2-OE2 2.96Å; S128-E144 VanDerWaalsContact CA-OE1 3.31Å; S128-E144 WeakPolarHBondContact CA-OE1 3.26Å; S128-E144 WeakPolarHBondContact CB-OE1 3.19Å; S128-E144 VanDerWaalsContact OG-CD 3.27Å; S128-E144 PolarHBondContact OG-OE1 3.04Å; S128-E144 PolarHBondContact OG-OE2 3.48Å; F142-E144 HydrophobicContact CE1-CG 3.84Å; F142-E144 HydrophobicContact CE2-CG 4.36Å; F142-E144 HydrophobicContact CZ-CG 3.47Å; F142-E144 VanDerWaalsContact CZ-CG 3.47Å; E144-M152 WeakPolarHBondContact O-CB 3.18Å; E144-M152 WeakPolarHBondContact O-CG 3.4Å
145	T	98.9	Very high	98.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	160.5	-173.3	59	0	0	0	0	111.3	V114 G115 N116 K117 V118 S151 M152 L156	V114-T145 HydrophobicContact CG1-CG2 3.78Å; V114-T145 VanDerWaalsContact CG1-OG1 3.27Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.45Å; G115-T145 PolarHBondContact O-N 3.39Å; N116-T145 CarbonylContact C-O 3.45Å; N116-T145 WeakPolarHBondContact CA-O 3.33Å; N116-T145 PolarHBondContact OD1-O 3.02Å; N116-T145 PolarHBondContact OD1-OG1 2.99Å; K117-T145 PolarHBondContact N-O 3.49Å; V118-T145 PolarHBondContact N-O 3.41Å; T145-S151 WeakPolarHBondContact CA-O 3.24Å; T145-M152 HydrophobicContact CG2-CB 3.93Å; T145-L156 HydrophobicContact CG2-CB 4.41Å; T145-L156 HydrophobicContact CG2-CD2 4.2Å
146	S	98.8	Very high	98.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.286	C	S	.	.			trans	-133.1	114.2	161.6	172.1	0	0	0	0	109.1	D119 K148 S149 K150 S151	D119-S146 VanDerWaalsContact OD1-CB 3.26Å; D119-S146 WeakPolarHBondContact OD1-CB 3.48Å; D119-S146 PolarHBondContact OD1-OG 2.77Å; S146-K148 PolarHBondContact O-N 3.08Å; S146-K148 PolarHBondContact OG-N 3.41Å; S146-K148 VanDerWaalsContact OG-N 3.15Å; S146-S149 VanDerWaalsContact CB-OG 3.24Å; S146-S149 WeakPolarHBondContact CB-OG 3.45Å; S146-S149 PolarHBondContact OG-N 2.81Å; S146-S149 PolarHBondContact OG-OG 3.16Å; S146-K150 CarbonylContact O-C 3.58Å; S146-K150 VanDerWaalsContact O-CA 3.26Å; S146-K150 WeakPolarHBondContact O-CA 3.4Å; S146-K150 PolarHBondContact O-N 3.33Å; S146-S151 PolarHBondContact N-O 2.91Å; S146-S151 PolarHBondContact O-N 2.67Å; S146-S151 VanDerWaalsContact O-N 3.15Å
147	A	98.6	Very high	98.1	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.7	167	0	0	0	0	0	111.6	A18 L19 Q22 F28 N116	A18-A147 HydrophobicContact CB-CB 3.61Å; L19-A147 HydrophobicContact CD2-CB 3.94Å; L19-A147 HydrophobicContact CG-CB 4.14Å; Q22-A147 WeakPolarHBondContact CG-O 3.22Å; Q22-A147 PolarHBondContact NE2-O 3.21Å; F28-A147 HydrophobicContact CD2-CB 4.11Å; F28-A147 HydrophobicContact CE2-CB 4.12Å; N116-A147 PolarHBondContact OD1-N 3.33Å
148	K	98.2	Very high	98.2	Very high	113 Å²	113	39.3 Å²	39.3	49%	0.491	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-50.1	-177.1	-172.5	-179.5	-173.1	176.4	0	112.6	F28 D119 S146	F28-K148 HydrophobicContact CD1-CB 4.35Å; F28-K148 HydrophobicContact CD1-CG 4.03Å; F28-K148 HydrophobicContact CD2-CB 4.38Å; F28-K148 HydrophobicContact CE1-CB 4.11Å; F28-K148 HydrophobicContact CE1-CD 4.45Å; F28-K148 HydrophobicContact CE1-CG 3.83Å; F28-K148 HydrophobicContact CE2-CB 4.15Å; F28-K148 HydrophobicContact CG-CB 4.47Å; F28-K148 HydrophobicContact CZ-CB 4.02Å; F28-K148 HydrophobicContact CZ-CG 4.22Å; D119-K148 WeakPolarHBondContact OD2-CD 3.32Å; S146-K148 PolarHBondContact O-N 3.08Å; S146-K148 PolarHBondContact OG-N 3.41Å; S146-K148 VanDerWaalsContact OG-N 3.15Å
149	S	97.8	Very high	98.3	Very high	76 Å²	76	39.5 Å²	39.5	53%	0.531	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	1.5	-179.6	66.7	0	0	0	0	113.9	S146 S151	S146-S149 VanDerWaalsContact CB-OG 3.24Å; S146-S149 WeakPolarHBondContact CB-OG 3.45Å; S146-S149 PolarHBondContact OG-N 2.81Å; S146-S149 PolarHBondContact OG-OG 3.16Å; S149-S151 PolarHBondContact O-N 2.88Å; S149-S151 WeakPolarHBondContact OG-CB 3.41Å
150	K	98	Very high	98.4	Very high	79 Å²	79	36 Å²	36	34%	0.343	19%	0.19	S	C	.	.			trans	62.8	10.7	-172.2	-158.2	175.8	-179.6	-141.7	0	114.1	Q22 S146 M152 V153 D154	Q22-K150 HydrophobicContact CG-CB 4.18Å; Q22-K150 HydrophobicContact CG-CD 4.43Å; Q22-K150 HydrophobicContact CG-CG 3.85Å; S146-K150 CarbonylContact O-C 3.58Å; S146-K150 VanDerWaalsContact O-CA 3.26Å; S146-K150 WeakPolarHBondContact O-CA 3.4Å; S146-K150 PolarHBondContact O-N 3.33Å; K150-M152 PolarHBondContact O-N 2.93Å; K150-V153 HydrophobicContact CG-CB 4.18Å; K150-V153 HydrophobicContact CG-CG2 4.43Å; K150-V153 PolarHBondContact O-N 3.28Å; K150-D154 VanDerWaalsContact CE-OD2 3.24Å; K150-D154 WeakPolarHBondContact CE-OD2 3.37Å; K150-D154 IonicContact NZ-OD1 3.62Å; K150-D154 IonicContact NZ-OD2 3.49Å; K150-D154 PolarHBondContact NZ-OD2 2.81Å
151	S	98.6	Very high	98.5	Very high	49 Å²	49	35.1 Å²	35.1	34%	0.343	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	124	179.9	-174.1	0	0	0	0	111.5	T145 S146 S149 V153	T145-S151 WeakPolarHBondContact CA-O 3.24Å; S146-S151 PolarHBondContact N-O 2.91Å; S146-S151 PolarHBondContact O-N 2.67Å; S146-S151 VanDerWaalsContact O-N 3.15Å; S149-S151 PolarHBondContact O-N 2.88Å; S149-S151 WeakPolarHBondContact OG-CB 3.41Å; S151-V153 PolarHBondContact O-N 2.93Å; S151-V153 VanDerWaalsContact O-N 3.14Å
152	M	98.6	Very high	98.4	Very high	74 Å²	74	36.7 Å²	36.7	37%	0.365	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	12.3	177.7	-57.3	-60.7	-60.8	0	0	115.5	M143 E144 T145 K150 E155 L156	M143-M152 HydrophobicContact CE-CB 4.22Å; M143-M152 HydrophobicContact CE-CE 3.35Å; E144-M152 WeakPolarHBondContact O-CB 3.18Å; E144-M152 WeakPolarHBondContact O-CG 3.4Å; T145-M152 HydrophobicContact CG2-CB 3.93Å; K150-M152 PolarHBondContact O-N 2.93Å; M152-E155 VanDerWaalsContact C-OE2 3.25Å; M152-E155 WeakPolarHBondContact CA-OE2 3.31Å; M152-E155 HydrophobicContact CE-CB 3.9Å; M152-E155 HydrophobicContact CE-CG 4.09Å; M152-L156 WeakPolarHBondContact O-CB 3.37Å; M152-L156 PolarHBondContact O-N 3.26Å
153	V	98.8	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.9	-48.5	-175.4	175.1	0	0	0	0	111.4	L19 Q22 F23 K150 S151 E155 L156 F157	L19-V153 HydrophobicContact CD2-CG2 3.8Å; Q22-V153 HydrophobicContact CB-CG1 4.42Å; Q22-V153 HydrophobicContact CG-CG1 4.24Å; Q22-V153 HydrophobicContact CG-CG2 4.34Å; F23-V153 HydrophobicContact CB-CG1 3.83Å; K150-V153 HydrophobicContact CG-CB 4.18Å; K150-V153 HydrophobicContact CG-CG2 4.43Å; K150-V153 PolarHBondContact O-N 3.28Å; S151-V153 PolarHBondContact O-N 2.93Å; S151-V153 VanDerWaalsContact O-N 3.14Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 2.71Å; V153-L156 PolarHBondContact O-N 3.26Å; V153-F157 HydrophobicContact CG1-CD2 4.41Å; V153-F157 HydrophobicContact CG1-CE2 4.34Å; V153-F157 WeakPolarHBondContact O-CD2 3.21Å; V153-F157 PolarHBondContact O-N 3.35Å
154	D	98.4	Very high	98.1	Very high	58 Å²	58	35.9 Å²	35.9	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-67.8	-38.2	-179.4	-70.5	-35.9	0	0	0	110.4	F23 K150 L156 F157 A158	F23-D154 VanDerWaalsContact CD2-OD1 3.3Å; F23-D154 WeakPolarHBondContact CD2-OD1 3.49Å; K150-D154 VanDerWaalsContact CE-OD2 3.24Å; K150-D154 WeakPolarHBondContact CE-OD2 3.37Å; K150-D154 IonicContact NZ-OD1 3.62Å; K150-D154 IonicContact NZ-OD2 3.49Å; K150-D154 PolarHBondContact NZ-OD2 2.81Å; D154-L156 PolarHBondContact O-N 3.27Å; D154-F157 PolarHBondContact O-N 3.15Å; D154-A158 WeakPolarHBondContact O-CB 3.31Å; D154-A158 PolarHBondContact O-N 3.33Å
155	E	98.6	Very high	97.7	Very high	94 Å²	94	36.2 Å²	36.2	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-39.6	176.1	-64.3	82.7	172.6	0	0	112.1	M143 M152 V153 A158 E159	M143-E155 HydrophobicContact CE-CB 3.67Å; M152-E155 VanDerWaalsContact C-OE2 3.25Å; M152-E155 WeakPolarHBondContact CA-OE2 3.31Å; M152-E155 HydrophobicContact CE-CB 3.9Å; M152-E155 HydrophobicContact CE-CG 4.09Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 2.71Å; E155-A158 PolarHBondContact O-N 3.14Å; E155-E159 VanDerWaalsContact O-CB 3.24Å; E155-E159 WeakPolarHBondContact O-CB 3.37Å; E155-E159 PolarHBondContact O-N 3.25Å
156	L	98.8	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-49.4	176.8	167.5	61.3	0	0	0	111.9	L19 I79 I112 V114 M143 T145 M152 V153 D154 E159 I160	L19-L156 HydrophobicContact CD1-CD2 4.31Å; I79-L156 HydrophobicContact CD1-CD1 4.21Å; I79-L156 HydrophobicContact CD1-CD2 4.41Å; I79-L156 HydrophobicContact CD1-CG 4.12Å; I79-L156 HydrophobicContact CG1-CD1 4.32Å; I79-L156 HydrophobicContact CG2-CD1 4.15Å; I79-L156 HydrophobicContact CG2-CD2 4.15Å; I112-L156 HydrophobicContact CB-CD1 4.36Å; I112-L156 HydrophobicContact CD1-CD1 4.26Å; I112-L156 HydrophobicContact CG2-CD1 3.84Å; V114-L156 HydrophobicContact CG1-CD2 4.22Å; V114-L156 HydrophobicContact CG2-CD1 3.4Å; V114-L156 VanDerWaalsContact CG2-CD1 3.4Å; V114-L156 HydrophobicContact CG2-CD2 3.93Å; V114-L156 HydrophobicContact CG2-CG 4.32Å; M143-L156 HydrophobicContact CE-CB 4.35Å; M143-L156 HydrophobicContact SD-CB 4.24Å; M143-L156 HydrophobicContact SD-CD1 4.21Å; T145-L156 HydrophobicContact CG2-CB 4.41Å; T145-L156 HydrophobicContact CG2-CD2 4.2Å; M152-L156 WeakPolarHBondContact O-CB 3.37Å; M152-L156 PolarHBondContact O-N 3.26Å; V153-L156 PolarHBondContact O-N 3.26Å; D154-L156 PolarHBondContact O-N 3.27Å; L156-E159 PolarHBondContact O-N 2.96Å; L156-I160 PolarHBondContact O-N 2.94Å; L156-I160 VanDerWaalsContact O-N 3.08Å
157	F	98.8	Very high	95.5	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-74.6	-27.3	-178.2	-74.1	-78.6	0	0	0	112.6	F23 L53 I55 I79 V153 D154 I160	F23-F157 HydrophobicContact CB-CD2 3.44Å; F23-F157 VanDerWaalsContact CB-CD2 3.44Å; F23-F157 HydrophobicContact CB-CE2 3.4Å; F23-F157 HydrophobicContact CB-CG 4.31Å; F23-F157 HydrophobicContact CB-CZ 4.22Å; F23-F157 HydrophobicContact CD1-CB 4.04Å; F23-F157 HydrophobicContact CD1-CD1 4.03Å; F23-F157 AromaticContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CD2 3.68Å; F23-F157 HydrophobicContact CD1-CE1 4.41Å; F23-F157 HydrophobicContact CD1-CE2 4.1Å; F23-F157 AromaticContact CD1-CG 3.64Å; F23-F157 HydrophobicContact CD1-CG 3.64Å; F23-F157 HydrophobicContact CD1-CZ 4.44Å; F23-F157 HydrophobicContact CD2-CB 3.85Å; F23-F157 AromaticContact CD2-CD2 3.57Å; F23-F157 HydrophobicContact CD2-CD2 3.57Å; F23-F157 HydrophobicContact CD2-CE2 4.41Å; F23-F157 AromaticContact CD2-CG 3.94Å; F23-F157 HydrophobicContact CD2-CG 3.94Å; F23-F157 HydrophobicContact CE1-CB 3.74Å; F23-F157 HydrophobicContact CE1-CD1 4.2Å; F23-F157 HydrophobicContact CE1-CD2 4.28Å; F23-F157 AromaticContact CE1-CG 3.82Å; F23-F157 HydrophobicContact CE1-CG 3.82Å; F23-F157 HydrophobicContact CE2-CB 3.56Å; F23-F157 HydrophobicContact CE2-CD2 4.2Å; F23-F157 HydrophobicContact CE2-CG 4.12Å; F23-F157 HydrophobicContact CG-CB 4.08Å; F23-F157 HydrophobicContact CG-CD1 4.46Å; F23-F157 AromaticContact CG-CD2 3.26Å; F23-F157 HydrophobicContact CG-CD2 3.26Å; F23-F157 AromaticContact CG-CE2 3.73Å; F23-F157 HydrophobicContact CG-CE2 3.73Å; F23-F157 AromaticContact CG-CG 3.69Å; F23-F157 HydrophobicContact CG-CG 3.69Å; F23-F157 HydrophobicContact CG-CZ 4.48Å; F23-F157 HydrophobicContact CZ-CB 3.48Å; F23-F157 VanDerWaalsContact CZ-CB 3.48Å; F23-F157 HydrophobicContact CZ-CG 4.05Å; L53-F157 HydrophobicContact CD2-CB 4.12Å; L53-F157 HydrophobicContact CD2-CD1 3.85Å; L53-F157 HydrophobicContact CD2-CG 4.44Å; I55-F157 HydrophobicContact CD1-CD1 3.91Å; I55-F157 HydrophobicContact CD1-CE1 3.66Å; I55-F157 HydrophobicContact CD1-CZ 4.34Å; I55-F157 HydrophobicContact CG1-CD1 4.38Å; I55-F157 HydrophobicContact CG1-CE1 4.12Å; I55-F157 HydrophobicContact CG2-CE1 4.09Å; I79-F157 HydrophobicContact CD1-CD1 3.88Å; I79-F157 HydrophobicContact CD1-CE1 3.68Å; I79-F157 HydrophobicContact CD1-CZ 4.29Å; V153-F157 HydrophobicContact CG1-CD2 4.41Å; V153-F157 HydrophobicContact CG1-CE2 4.34Å; V153-F157 WeakPolarHBondContact O-CD2 3.21Å; V153-F157 PolarHBondContact O-N 3.35Å; D154-F157 PolarHBondContact O-N 3.15Å; F157-I160 WeakPolarHBondContact O-CG2 3.33Å
158	A	98.5	Very high	93.6	Very high	19 Å²	19	48.2 Å²	48.2	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-44.2	168	0	0	0	0	0	111.4	V46 D154 E155 I160 V161 R162	V46-A158 HydrophobicContact CG2-CB 4Å; D154-A158 WeakPolarHBondContact O-CB 3.31Å; D154-A158 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 3.14Å; A158-I160 PolarHBondContact O-N 2.86Å; A158-V161 WeakPolarHBondContact O-CB 3.15Å; A158-V161 PolarHBondContact O-N 2.88Å; A158-R162 PolarHBondContact O-N 2.78Å; A158-R162 VanDerWaalsContact O-N 3.08Å
159	E	98.5	Very high	91.3	Very high	38 Å²	38	48 Å²	48	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-38.8	-177.1	-172.8	52.7	-147.6	0	0	112	I112 P141 M143 E155 L156 V161 R162 Q163	I112-E159 HydrophobicContact CD1-CB 3.65Å; I112-E159 HydrophobicContact CD1-CG 3.5Å; I112-E159 HydrophobicContact CG1-CG 4.47Å; P141-E159 HydrophobicContact CB-CG 4.46Å; P141-E159 HydrophobicContact CG-CG 4.43Å; M143-E159 HydrophobicContact SD-CB 4.21Å; M143-E159 HydrophobicContact SD-CG 4.42Å; E155-E159 VanDerWaalsContact O-CB 3.24Å; E155-E159 WeakPolarHBondContact O-CB 3.37Å; E155-E159 PolarHBondContact O-N 3.25Å; L156-E159 PolarHBondContact O-N 2.96Å; E159-V161 PolarHBondContact O-N 2.97Å; E159-R162 WeakPolarHBondContact O-CA 3.26Å; E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 3.32Å; E159-R162 WeakPolarHBondContact OE2-CD 3.48Å; E159-R162 IonicContact OE2-CZ 2.78Å; E159-R162 IonicContact OE2-NH1 3.57Å; E159-R162 PolarHBondContact OE2-NH1 3.04Å; E159-Q163 WeakPolarHBondContact O-CG 3.2Å; E159-Q163 PolarHBondContact O-N 3.45Å; E159-Q163 PolarHBondContact OE1-NE2 2.73Å
160	I	98.3	Very high	88.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-31.6	178.1	-166.2	59.8	0	0	0	111.9	V6 F78 I79 I112 L156 F157 A158 Q163 M164	V6-I160 HydrophobicContact CB-CG1 4.45Å; V6-I160 HydrophobicContact CB-CG2 4.47Å; V6-I160 HydrophobicContact CG2-CG1 3.72Å; V6-I160 HydrophobicContact CG2-CG2 4.15Å; F78-I160 WeakPolarHBondContact O-CD1 3.42Å; I79-I160 HydrophobicContact CD1-CB 4.38Å; I79-I160 HydrophobicContact CD1-CG2 4.13Å; I79-I160 HydrophobicContact CG1-CB 4.23Å; I79-I160 HydrophobicContact CG1-CD1 4.47Å; I79-I160 HydrophobicContact CG1-CG1 4.1Å; I79-I160 HydrophobicContact CG1-CG2 4.48Å; I112-I160 HydrophobicContact CD1-CB 3.81Å; I112-I160 HydrophobicContact CD1-CD1 4.09Å; I112-I160 VanDerWaalsContact CD1-N 3.27Å; I112-I160 HydrophobicContact CG1-CD1 3.94Å; L156-I160 PolarHBondContact O-N 2.94Å; L156-I160 VanDerWaalsContact O-N 3.08Å; F157-I160 WeakPolarHBondContact O-CG2 3.33Å; A158-I160 PolarHBondContact O-N 2.86Å; I160-Q163 HydrophobicContact CD1-CB 4.39Å; I160-Q163 PolarHBondContact O-N 3.01Å; I160-M164 HydrophobicContact CG1-CE 4.24Å; I160-M164 HydrophobicContact CG2-CE 4.42Å; I160-M164 WeakPolarHBondContact O-CE 3.47Å; I160-M164 WeakPolarHBondContact O-CG 3.48Å; I160-M164 PolarHBondContact O-N 2.83Å
161	V	97.8	Very high	86.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.3	-39.8	172.5	169.9	0	0	0	0	111.2	Y4 I44 V46 L53 A158 E159 M164 N165	Y4-V161 HydrophobicContact CD1-CG1 4.46Å; Y4-V161 HydrophobicContact CD2-CG1 4.02Å; Y4-V161 HydrophobicContact CD2-CG2 4.28Å; Y4-V161 HydrophobicContact CE1-CG1 4.16Å; Y4-V161 HydrophobicContact CE2-CG1 3.72Å; Y4-V161 HydrophobicContact CG-CG1 4.38Å; Y4-V161 HydrophobicContact CG-CG2 4.29Å; I44-V161 HydrophobicContact CD1-CB 4.3Å; I44-V161 HydrophobicContact CD1-CG2 3.69Å; V46-V161 HydrophobicContact CB-CG1 4.09Å; V46-V161 HydrophobicContact CG1-CG1 4.3Å; V46-V161 HydrophobicContact CG2-CB 4.1Å; V46-V161 HydrophobicContact CG2-CG1 3.99Å; L53-V161 HydrophobicContact CD1-CG2 3.78Å; L53-V161 HydrophobicContact CD2-CG2 4.2Å; L53-V161 HydrophobicContact CG-CG2 4.45Å; A158-V161 WeakPolarHBondContact O-CB 3.15Å; A158-V161 PolarHBondContact O-N 2.88Å; E159-V161 PolarHBondContact O-N 2.97Å; V161-M164 HydrophobicContact CG2-CE 4Å; V161-M164 PolarHBondContact O-N 3.02Å; V161-N165 PolarHBondContact O-N 3.23Å; V161-N165 PolarHBondContact O-ND2 2.8Å
162	R	96.4	Very high	83.8	Confident	67 Å²	67	58.3 Å²	58.3	25%	0.253	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-46.7	171.2	-63.2	-166.3	-168.7	98.5	5.5	111.9	V46 D47 A158 E159 M164 N165 Y166	V46-R162 HydrophobicContact CG1-CG 3.57Å; D47-R162 IonicContact OD1-CZ 2.71Å; D47-R162 IonicContact OD1-NE 3.73Å; D47-R162 PolarHBondContact OD1-NE 3.46Å; D47-R162 IonicContact OD1-NH2 3.37Å; D47-R162 PolarHBondContact OD1-NH2 2.64Å; D47-R162 VanDerWaalsContact OD1-NH2 3.14Å; D47-R162 VanDerWaalsContact OD2-CD 3.31Å; D47-R162 WeakPolarHBondContact OD2-CD 3.43Å; D47-R162 WeakPolarHBondContact OD2-CG 3.35Å; D47-R162 IonicContact OD2-NE 2.85Å; D47-R162 PolarHBondContact OD2-NE 2.91Å; D47-R162 VanDerWaalsContact OD2-NE 3.09Å; A158-R162 PolarHBondContact O-N 2.78Å; A158-R162 VanDerWaalsContact O-N 3.08Å; E159-R162 WeakPolarHBondContact O-CA 3.26Å; E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 3.32Å; E159-R162 WeakPolarHBondContact OE2-CD 3.48Å; E159-R162 IonicContact OE2-CZ 2.78Å; E159-R162 IonicContact OE2-NH1 3.57Å; E159-R162 PolarHBondContact OE2-NH1 3.04Å; R162-M164 VanDerWaalsContact C-N 3.3Å; R162-M164 PolarHBondContact O-N 3.44Å; R162-N165 WeakPolarHBondContact O-CA 3.22Å; R162-N165 WeakPolarHBondContact O-CB 3.24Å; R162-N165 PolarHBondContact O-N 3.42Å; R162-Y166 HydrophobicContact CB-CD2 4.4Å; R162-Y166 HydrophobicContact CB-CE2 4.12Å; R162-Y166 WeakPolarHBondContact O-CD2 3.48Å; R162-Y166 PolarHBondContact O-N 3.49Å
163	Q	95.4	Very high	81.1	Confident	39 Å²	39	62.2 Å²	62.2	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-43.3	177.5	-65.9	-58	-51.8	0	0	111.7	P110 I112 P141 E159 I160 N165 Y166 S167	P110-Q163 HydrophobicContact CB-CB 3.98Å; I112-Q163 HydrophobicContact CD1-CG 4.23Å; I112-Q163 HydrophobicContact CG1-CG 4.05Å; P141-Q163 HydrophobicContact CG-CG 4.07Å; P141-Q163 VanDerWaalsContact CG-NE2 3.26Å; E159-Q163 WeakPolarHBondContact O-CG 3.2Å; E159-Q163 PolarHBondContact O-N 3.45Å; E159-Q163 PolarHBondContact OE1-NE2 2.73Å; I160-Q163 HydrophobicContact CD1-CB 4.39Å; I160-Q163 PolarHBondContact O-N 3.01Å; Q163-N165 VanDerWaalsContact C-N 3.29Å; Q163-N165 PolarHBondContact O-N 3.2Å; Q163-Y166 PolarHBondContact O-N 2.81Å; Q163-S167 PolarHBondContact O-N 3.37Å; Q163-S167 VanDerWaalsContact O-N 3.13Å; Q163-S167 PolarHBondContact O-OG 2.78Å
164	M	95.1	Very high	78.5	Confident	9 Å²	9	69.2 Å²	69.2	4%	0.044	35%	0.349	C	S	.	.	H	α-helix	trans	-67.3	-27.7	176.4	-72.7	-175.9	-76.5	0	0	113.5	Y4 L53 Q76 G77 P110 I160 V161 R162 S168	Y4-M164 HydrophobicContact CD1-CB 3.73Å; Y4-M164 HydrophobicContact CD1-CE 3.88Å; Y4-M164 HydrophobicContact CD1-CG 4.48Å; Y4-M164 HydrophobicContact CD1-SD 3.99Å; Y4-M164 HydrophobicContact CE1-CB 4.05Å; Y4-M164 HydrophobicContact CG-CE 3.98Å; Y4-M164 HydrophobicContact CG-SD 4.45Å; L53-M164 HydrophobicContact CD1-CE 4.11Å; Q76-M164 HydrophobicContact CB-CG 4.41Å; Q76-M164 HydrophobicContact CB-SD 3.57Å; Q76-M164 VanDerWaalsContact CB-SD 3.57Å; G77-M164 PolarHBondContact N-SD 3.4Å; G77-M164 VanDerWaalsContact N-SD 3.37Å; P110-M164 HydrophobicContact CB-CB 4.37Å; P110-M164 HydrophobicContact CB-CG 3.58Å; P110-M164 HydrophobicContact CG-CB 4.38Å; P110-M164 HydrophobicContact CG-CG 3.85Å; I160-M164 HydrophobicContact CG1-CE 4.24Å; I160-M164 HydrophobicContact CG2-CE 4.42Å; I160-M164 WeakPolarHBondContact O-CE 3.47Å; I160-M164 WeakPolarHBondContact O-CG 3.48Å; I160-M164 PolarHBondContact O-N 2.83Å; V161-M164 HydrophobicContact CG2-CE 4Å; V161-M164 PolarHBondContact O-N 3.02Å; R162-M164 VanDerWaalsContact C-N 3.3Å; R162-M164 PolarHBondContact O-N 3.44Å; M164-S168 PolarHBondContact O-OG 2.83Å
165	N	91.2	Very high	75.8	Confident	41 Å²	41	73.7 Å²	73.7	22%	0.219	37%	0.368	C	S	.	.	H	α-helix	trans	-70.6	-46.9	172.4	-79.1	-40.5	0	0	0	112	R2 Y4 V161 R162 Q163 S168	R2-N165 PolarHBondContact NH1-OD1 3.27Å; Y4-N165 VanDerWaalsContact OH-CG 3.28Å; Y4-N165 PolarHBondContact OH-ND2 2.74Å; Y4-N165 VanDerWaalsContact OH-ND2 3.13Å; Y4-N165 PolarHBondContact OH-OD1 3.08Å; V161-N165 PolarHBondContact O-N 3.23Å; V161-N165 PolarHBondContact O-ND2 2.8Å; R162-N165 WeakPolarHBondContact O-CA 3.22Å; R162-N165 WeakPolarHBondContact O-CB 3.24Å; R162-N165 PolarHBondContact O-N 3.42Å; Q163-N165 VanDerWaalsContact C-N 3.29Å; Q163-N165 PolarHBondContact O-N 3.2Å; N165-S168 PolarHBondContact O-N 3.03Å; N165-S168 PolarHBondContact O-OG 3.27Å
166	Y	81.1	Confident	72.9	Confident	144 Å²	144	74.8 Å²	74.8	57%	0.565	39%	0.385	S	S	*	.	H	α-helix	trans	-65.5	-40.2	-178.7	-71.8	-67.4	0	0	0	113	R162 Q163 S168 L169	R162-Y166 HydrophobicContact CB-CD2 4.4Å; R162-Y166 HydrophobicContact CB-CE2 4.12Å; R162-Y166 WeakPolarHBondContact O-CD2 3.48Å; R162-Y166 PolarHBondContact O-N 3.49Å; Q163-Y166 PolarHBondContact O-N 2.81Å; Y166-S168 PolarHBondContact O-N 3.15Å; Y166-L169 HydrophobicContact CD1-CD1 4.28Å; Y166-L169 WeakPolarHBondContact O-CB 3.16Å; Y166-L169 PolarHBondContact O-N 2.57Å
167	S	69.1	Low	70.4	Confident	51 Å²	51	79.2 Å²	79.2	36%	0.357	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.1	177.9	-58.4	0	0	0	0	114.1	P110 Q163 L169	P110-S167 WeakPolarHBondContact CG-OG 3.35Å; Q163-S167 PolarHBondContact O-N 3.37Å; Q163-S167 VanDerWaalsContact O-N 3.13Å; Q163-S167 PolarHBondContact O-OG 2.78Å; S167-L169 VanDerWaalsContact C-N 3.32Å
168	S	60.5	Low	68.1	Low	61 Å²	61	85.6 Å²	85.6	43%	0.427	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-8.1	175.5	62.5	0	0	0	0	113.9	R2 M164 N165 Y166	R2-S168 PolarHBondContact NH1-OG 2.99Å; R2-S168 PolarHBondContact NH2-OG 3.29Å; M164-S168 PolarHBondContact O-OG 2.83Å; N165-S168 PolarHBondContact O-N 3.03Å; N165-S168 PolarHBondContact O-OG 3.27Å; Y166-S168 PolarHBondContact O-N 3.15Å
169	L	49.6	Very low	65.6	Low	109 Å²	109	90 Å²	90	57%	0.571	48%	0.479	S	S	*	.	S	Bend	trans	-77.3	125.2	173.7	-61.6	172.4	0	0	0	107.8	Y166 S167 E171	Y166-L169 HydrophobicContact CD1-CD1 4.28Å; Y166-L169 WeakPolarHBondContact O-CB 3.16Å; Y166-L169 PolarHBondContact O-N 2.57Å; S167-L169 VanDerWaalsContact C-N 3.32Å; L169-E171 PolarHBondContact O-N 2.98Å
170	P	45.1	Very low	63	Low	115 Å²	115	93.7 Å²	93.7	75%	0.747	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-53.3	122.8	164.5	21.1	-28	0	0	0	106	K172	P170-K172 PolarHBondContact O-N 3.21Å
171	E	49.2	Very low	60.4	Low	119 Å²	119	100 Å²	100	56%	0.556	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-46.5	119.7	167.5	-71.7	-164.7	155.8	0	0	104.9	K108 L169 Q173	K108-E171 IonicContact NZ-OE1 3.85Å; K108-E171 PolarHBondContact NZ-OE1 3.3Å; L169-E171 PolarHBondContact O-N 2.98Å; E171-Q173 VanDerWaalsContact C-N 3.31Å; E171-Q173 PolarHBondContact O-N 3.41Å
172	K	42	Very low	57.8	Low	186 Å²	186	105.2 Å²	105.2	81%	0.809	58%	0.578	S	S	*	*			trans	-47	111.4	175.5	-79	179.7	177.6	177.9	0	104	P170 D174	P170-K172 PolarHBondContact O-N 3.21Å; K172-D174 PolarHBondContact O-N 3.14Å
173	Q	41.9	Very low	55	Low	155 Å²	155	114.7 Å²	114.7	72%	0.724	63%	0.625	S	S	*	*			trans	-61.6	93.7	168.2	-81.2	-177.7	-10.8	0	0	102.9	E171 Q175	E171-Q173 VanDerWaalsContact C-N 3.31Å; E171-Q173 PolarHBondContact O-N 3.41Å; Q173-Q175 HydrophobicContact CB-CG 4.23Å; Q173-Q175 PolarHBondContact O-N 3.1Å; Q173-Q175 VanDerWaalsContact OE1-NE2 3.14Å
174	D	44.8	Very low	53	Low	147 Å²	147	118.5 Å²	118.5	79%	0.786	65%	0.647	S	S	*	*			trans	-66.4	65.8	159.4	-75.8	-25.5	0	0	0	105.2	K172 C176	K172-D174 PolarHBondContact O-N 3.14Å; D174-C176 PolarHBondContact O-N 3.29Å
175	Q	41.6	Very low	50.8	Low	153 Å²	153	124.2 Å²	124.2	72%	0.715	68%	0.679	S	S	*	*			trans	-70.7	72.5	158.7	-81.9	-179.7	17.1	0	0	106	Q173 C177	Q173-Q175 HydrophobicContact CB-CG 4.23Å; Q173-Q175 PolarHBondContact O-N 3.1Å; Q173-Q175 VanDerWaalsContact OE1-NE2 3.14Å; Q175-C177 VanDerWaalsContact C-N 3.31Å; Q175-C177 PolarHBondContact O-N 2.9Å; Q175-C177 VanDerWaalsContact O-N 3.08Å
176	C	36.6	Very low	48.6	Very low	117 Å²	117	128.8 Å²	128.8	79%	0.791	70%	0.704	S	S	*	*			trans	-59.8	96.5	153.1	-172.1	0	0	0	0	106.9	D174	D174-C176 PolarHBondContact O-N 3.29Å
177	C	46.9	Very low	46.7	Very low	93 Å²	93	127.9 Å²	127.9	63%	0.628	71%	0.712	S	S	*	*			trans	-160.4	58.7	163.3	-115.9	0	0	0	0	110.7	Q175 T179	Q175-C177 VanDerWaalsContact C-N 3.31Å; Q175-C177 PolarHBondContact O-N 2.9Å; Q175-C177 VanDerWaalsContact O-N 3.08Å; C177-T179 PolarHBondContact O-N 3.18Å
178	T	49.6	Very low	45.3	Very low	134 Å²	134	132.8 Å²	132.8	82%	0.822	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	8.3	166.1	-23.2	0	0	0	0	112.4	C180	T178-C180 PolarHBondContact O-N 3.48Å
179	T	46.6	Very low	44.2	Very low	111 Å²	111	137.5 Å²	137.5	68%	0.681	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	4.5	177	-37.6	0	0	0	0	113.2	C177 V181	C177-T179 PolarHBondContact O-N 3.18Å; T179-V181 PolarHBondContact O-N 2.92Å
180	C	44.1	Very low	43.9	Very low	116 Å²	116	139.6 Å²	139.6	78%	0.784	77%	0.768	S	S	*	*			trans	-81	55.5	167.5	-63.4	0	0	0	0	111.8	T178	T178-C180 PolarHBondContact O-N 3.48Å
181	V	44.2	Very low	43.8	Very low	134 Å²	134	141.5 Å²	141.5	81%	0.812	77%	0.77	S	S	*	*			trans	-136.7	71.3	156.5	-169.1	0	0	0	0	106.6	T179	T179-V181 PolarHBondContact O-N 2.92Å
182	V	42.3	Very low	43.3	Very low	109 Å²	109	143.3 Å²	143.3	66%	0.661	79%	0.788	S	S	*	*			trans	-128.6	115.4	170.1	-176.6	0	0	0	0	107.6
183	Q	39.1	Very low	43.4	Very low	265 Å²	265	139.5 Å²	139.5	100%	1.238	79%	0.786	S	S	*	*			trans	73.3	0	165	-76.4	175.1	-27.6	0	0	119.4

Retrieved 183 of 183 residues in 96.2 ms (Link to these results)

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