A0A077ZCD2_TRITR Loading...

inosine/xanthosine triphosphatase

AlphaFold DB , UniProt , Accession A0A077ZCD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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	87.5	Confident	93.9	Very high	154 Å²	154	46.8 Å²	46.8	76%	0.759	25%	0.251	S	S	*	.				0	122.3	0	-170.3	174.5	-70.6	0	0	106.4	S29 H31	M1-S29 CarbonylContact C-O 3.55Å; M1-S29 WeakPolarHBondContact CA-O 3.44Å; M1-S29 WeakPolarHBondContact CG-O 3.22Å; M1-H31 HydrophobicContact CG-CB 4.24Å; M1-H31 HydrophobicContact SD-CB 4Å
2	H	93.2	Very high	93	Very high	64 Å²	64	44.1 Å²	44.1	30%	0.296	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.2	-176.5	-61.5	-62.8	0	0	0	110.7	V4 F25 S29 C30 H31 D70 F71	H2-V4 HydrophobicContact CB-CG2 4.43Å; H2-F25 AromaticContact CD2-CD1 3.77Å; H2-F25 AromaticContact CD2-CE1 3.96Å; H2-F25 AromaticContact CD2-CG 3.83Å; H2-F25 AromaticContact NE2-CD1 3.62Å; H2-F25 AromaticContact NE2-CE1 3.68Å; H2-S29 PolarHBondContact N-O 2.88Å; H2-C30 CarbonylContact O-C 3.43Å; H2-C30 WeakPolarHBondContact O-CA 3.49Å; H2-H31 PolarHBondContact O-N 3.17Å; H2-D70 VanDerWaalsContact CA-OD2 3.3Å; H2-D70 WeakPolarHBondContact CA-OD2 3.49Å; H2-F71 HydrophobicContact CB-CD2 4.38Å; H2-F71 HydrophobicContact CB-CE2 4.24Å
3	Q	96.5	Very high	92.8	Very high	76 Å²	76	42.5 Å²	42.5	36%	0.355	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.3	173.7	-64	-61.6	-29.4	0	0	109.3	H31 A69 D70 F71	Q3-H31 PolarHBondContact OE1-CD2 3.28Å; Q3-A69 HydrophobicContact CB-CB 4.19Å; Q3-D70 PolarHBondContact N-OD2 2.92Å; Q3-D70 PolarHBondContact O-N 3.19Å; Q3-F71 PolarHBondContact O-N 3.04Å
4	V	97.4	Very high	92.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.1	-175.8	-176.9	0	0	0	0	109	H2 I17 F21 C30 H31 I32 A33 F71 V73	H2-V4 HydrophobicContact CB-CG2 4.43Å; V4-I17 HydrophobicContact CG1-CG2 4.11Å; V4-F21 HydrophobicContact CB-CE1 4.31Å; V4-F21 HydrophobicContact CB-CZ 4.46Å; V4-F21 HydrophobicContact CG1-CD1 4.36Å; V4-F21 HydrophobicContact CG1-CD2 4.2Å; V4-F21 HydrophobicContact CG1-CE1 3.95Å; V4-F21 HydrophobicContact CG1-CE2 3.77Å; V4-F21 HydrophobicContact CG1-CG 4.47Å; V4-F21 HydrophobicContact CG1-CZ 3.62Å; V4-F21 HydrophobicContact CG2-CD1 3.47Å; V4-F21 VanDerWaalsContact CG2-CD1 3.47Å; V4-F21 HydrophobicContact CG2-CE1 3.35Å; V4-F21 HydrophobicContact CG2-CG 4.15Å; V4-F21 HydrophobicContact CG2-CZ 3.94Å; V4-C30 HydrophobicContact CG2-CB 4.21Å; V4-H31 PolarHBondContact N-O 3.43Å; V4-I32 HydrophobicContact CB-CD1 3.75Å; V4-I32 HydrophobicContact CG1-CD1 3.71Å; V4-I32 WeakPolarHBondContact O-CA 3.36Å; V4-A33 PolarHBondContact O-N 2.86Å; V4-F71 HydrophobicContact CG1-CB 4.34Å; V4-F71 HydrophobicContact CG2-CB 4.37Å; V4-F71 HydrophobicContact CG2-CD2 4.27Å; V4-V73 HydrophobicContact CG1-CG2 3.98Å
5	V	98.3	Very high	92.7	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114	178.7	179.2	0	0	0	0	109.6	A33 V35 A62 L66 A69 F71 W72 V73	V5-A33 CarbonylContact C-O 3.49Å; V5-A33 VanDerWaalsContact CA-O 3.29Å; V5-A33 WeakPolarHBondContact CA-O 3.35Å; V5-A33 HydrophobicContact CG2-CB 4.42Å; V5-V35 HydrophobicContact CG1-CG1 4.23Å; V5-V35 HydrophobicContact CG1-CG2 3.58Å; V5-A62 HydrophobicContact CG1-CB 3.94Å; V5-L66 HydrophobicContact CG1-CD1 4.15Å; V5-L66 HydrophobicContact CG2-CB 3.97Å; V5-L66 HydrophobicContact CG2-CD1 3.81Å; V5-A69 HydrophobicContact CB-CB 4.47Å; V5-A69 HydrophobicContact CG2-CB 3.4Å; V5-F71 PolarHBondContact N-O 3.38Å; V5-W72 HydrophobicContact CB-CG 4.44Å; V5-W72 WeakPolarHBondContact O-CA 3.37Å; V5-V73 PolarHBondContact O-N 3.38Å
6	C	97.8	Very high	92.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115	172.8	-60.2	0	0	0	0	109.2	T8 I14 I17 A33 S34 V35	C6-T8 HydrophobicContact CB-CG2 4.36Å; C6-T8 PolarHBondContact O-N 2.88Å; C6-I14 HydrophobicContact CB-CG1 4.29Å; C6-I17 HydrophobicContact CB-CD1 4.03Å; C6-A33 PolarHBondContact N-O 2.93Å; C6-S34 WeakPolarHBondContact O-CA 3.44Å; C6-V35 PolarHBondContact O-N 2.99Å
7	A	97.8	Very high	92.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.22	C	C	.	.	S	Bend	trans	-77.4	46.7	177.3	0	0	0	0	0	112.2	V35 V37 R58 A62 V73 A74	A7-V35 CarbonylContact C-O 3.37Å; A7-V37 HydrophobicContact CB-CG2 3.77Å; A7-R58 HydrophobicContact CB-CB 3.88Å; A7-R58 WeakPolarHBondContact O-CD 3.3Å; A7-A62 HydrophobicContact CB-CB 3.81Å; A7-V73 WeakPolarHBondContact CB-O 3.07Å; A7-V73 PolarHBondContact N-O 3.48Å; A7-A74 HydrophobicContact CB-CB 4.11Å
8	T	94.7	Very high	92.4	Very high	19 Å²	19	42.3 Å²	42.3	12%	0.117	22%	0.224	C	C	.	.			trans	-161	149.1	179.3	-172	0	0	0	0	109.8	C6 N10 K13 I14 S34 V35	C6-T8 HydrophobicContact CB-CG2 4.36Å; C6-T8 PolarHBondContact O-N 2.88Å; T8-N10 WeakPolarHBondContact OG1-CB 3.33Å; T8-N10 PolarHBondContact OG1-N 3.2Å; T8-K13 HydrophobicContact CG2-CB 3.69Å; T8-K13 HydrophobicContact CG2-CD 4.17Å; T8-I14 HydrophobicContact CG2-CG1 4.18Å; T8-S34 WeakPolarHBondContact O-CB 3.35Å; T8-V35 PolarHBondContact N-O 2.69Å; T8-V35 VanDerWaalsContact N-O 3.13Å
9	T	92.9	Very high	92.3	Very high	91 Å²	91	46.2 Å²	46.2	56%	0.558	24%	0.241	S	C	*	.			trans	-100.2	5.1	170.7	52.3	0	0	0	0	112.4	P11 A36	T9-P11 WeakPolarHBondContact O-CD 3.47Å; T9-A36 HydrophobicContact CG2-CB 3.89Å
10	N	88.3	Confident	92.3	Very high	37 Å²	37	44.1 Å²	44.1	20%	0.198	23%	0.23	C	C	.	.			trans	-78	121	-176.5	-170	-51	0	0	0	111.2	T8 A12 K13 I14 G136	T8-N10 WeakPolarHBondContact OG1-CB 3.33Å; T8-N10 PolarHBondContact OG1-N 3.2Å; N10-A12 VanDerWaalsContact C-N 3.32Å; N10-A12 PolarHBondContact O-N 3.4Å; N10-A12 PolarHBondContact OD1-N 3.33Å; N10-K13 HydrophobicContact CB-CB 4.27Å; N10-K13 HydrophobicContact CB-CD 4.13Å; N10-K13 HydrophobicContact CB-CG 4.21Å; N10-K13 PolarHBondContact O-N 2.75Å; N10-I14 VanDerWaalsContact O-CG1 3.3Å; N10-I14 WeakPolarHBondContact O-CG1 3.11Å; N10-I14 PolarHBondContact O-N 3.28Å; N10-G136 PolarHBondContact ND2-O 2.99Å; N10-G136 PolarHBondContact OD1-O 3.44Å
11	P	88.4	Confident	92.3	Very high	70 Å²	70	42 Å²	42	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-56.9	-39.6	-177.4	-25.3	34.1	0	0	0	114.3	T9 I14 Q15 Q138	T9-P11 WeakPolarHBondContact O-CD 3.47Å; P11-I14 PolarHBondContact O-N 2.89Å; P11-Q15 WeakPolarHBondContact O-CB 3.39Å; P11-Q15 PolarHBondContact O-N 3.29Å; P11-Q138 HydrophobicContact CB-CG 4.44Å
12	A	83.8	Confident	92.5	Very high	14 Å²	14	37 Å²	37	12%	0.116	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-46.6	-179.4	0	0	0	0	0	111.4	N10 I14 Q15 A16 G136	N10-A12 VanDerWaalsContact C-N 3.32Å; N10-A12 PolarHBondContact O-N 3.4Å; N10-A12 PolarHBondContact OD1-N 3.33Å; A12-I14 PolarHBondContact O-N 2.87Å; A12-Q15 PolarHBondContact O-N 3.36Å; A12-A16 PolarHBondContact O-N 2.87Å; A12-G136 WeakPolarHBondContact CB-O 3.45Å
13	K	90.3	Very high	92.4	Very high	23 Å²	23	40.6 Å²	40.6	10%	0.1	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-41.2	177.2	-65.5	-179.3	177.9	-175.7	0	111.6	T8 N10 Q15 A16 I17 I75	T8-K13 HydrophobicContact CG2-CB 3.69Å; T8-K13 HydrophobicContact CG2-CD 4.17Å; N10-K13 HydrophobicContact CB-CB 4.27Å; N10-K13 HydrophobicContact CB-CD 4.13Å; N10-K13 HydrophobicContact CB-CG 4.21Å; N10-K13 PolarHBondContact O-N 2.75Å; K13-Q15 VanDerWaalsContact C-N 3.34Å; K13-A16 PolarHBondContact O-N 2.91Å; K13-I17 WeakPolarHBondContact O-CD1 3.29Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.48Å; K13-I17 PolarHBondContact O-N 3.32Å; K13-I75 HydrophobicContact CB-CD1 4.33Å; K13-I75 HydrophobicContact CD-CB 4.18Å; K13-I75 WeakPolarHBondContact CE-O 3.43Å; K13-I75 HydrophobicContact CG-CB 4.48Å; K13-I75 PolarHBondContact NZ-O 3.07Å
14	I	92.6	Very high	92.2	Very high	34 Å²	34	39.9 Å²	39.9	17%	0.174	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-45.6	176.8	-69.1	163.9	0	0	0	110.3	C6 T8 N10 P11 A12 I17 L18 I32	C6-I14 HydrophobicContact CB-CG1 4.29Å; T8-I14 HydrophobicContact CG2-CG1 4.18Å; N10-I14 VanDerWaalsContact O-CG1 3.3Å; N10-I14 WeakPolarHBondContact O-CG1 3.11Å; N10-I14 PolarHBondContact O-N 3.28Å; P11-I14 PolarHBondContact O-N 2.89Å; A12-I14 PolarHBondContact O-N 2.87Å; I14-I17 PolarHBondContact O-N 3.11Å; I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 PolarHBondContact O-N 2.7Å; I14-I32 HydrophobicContact CG2-CG2 4.05Å
15	Q	90.5	Very high	91.9	Very high	112 Å²	112	42.5 Å²	42.5	52%	0.523	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-43.2	178.6	-176.3	179	-21.6	0	0	111.9	P11 A12 K13 I17 L18 Q19	P11-Q15 WeakPolarHBondContact O-CB 3.39Å; P11-Q15 PolarHBondContact O-N 3.29Å; A12-Q15 PolarHBondContact O-N 3.36Å; K13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 2.89Å; Q15-L18 PolarHBondContact O-N 3.13Å; Q15-Q19 WeakPolarHBondContact O-CB 3.45Å; Q15-Q19 WeakPolarHBondContact O-CG 3.43Å; Q15-Q19 PolarHBondContact O-N 2.82Å
16	A	89	Confident	91.5	Very high	7 Å²	7	43.9 Å²	43.9	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-43.5	176.3	0	0	0	0	0	112	A12 K13 Q19 A20 D145 L148	A12-A16 PolarHBondContact O-N 2.87Å; K13-A16 PolarHBondContact O-N 2.91Å; A16-Q19 PolarHBondContact O-N 2.82Å; A16-A20 PolarHBondContact O-N 2.83Å; A16-A20 VanDerWaalsContact O-N 3.09Å; A16-D145 HydrophobicContact CB-CB 4.22Å; A16-D145 WeakPolarHBondContact CB-OD1 3.37Å; A16-L148 HydrophobicContact CB-CD1 3.76Å
17	I	92.8	Very high	91.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-49.3	175.8	-64.3	163.4	0	0	0	110	V4 C6 K13 I14 Q15 Q19 A20 F21 I32 V73 I75 L148	V4-I17 HydrophobicContact CG1-CG2 4.11Å; C6-I17 HydrophobicContact CB-CD1 4.03Å; K13-I17 WeakPolarHBondContact O-CD1 3.29Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.48Å; K13-I17 PolarHBondContact O-N 3.32Å; I14-I17 PolarHBondContact O-N 3.11Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 2.89Å; I17-Q19 VanDerWaalsContact C-N 3.32Å; I17-Q19 PolarHBondContact O-N 2.87Å; I17-A20 PolarHBondContact O-N 2.81Å; I17-F21 HydrophobicContact CG2-CD2 3.72Å; I17-F21 HydrophobicContact CG2-CE2 3.78Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 3.36Å; I17-F21 PolarHBondContact O-N 2.82Å; I17-I32 HydrophobicContact CG2-CD1 4.12Å; I17-V73 HydrophobicContact CD1-CB 4.03Å; I17-V73 HydrophobicContact CD1-CG1 3.62Å; I17-V73 HydrophobicContact CG1-CB 4.48Å; I17-V73 HydrophobicContact CG1-CG1 3.77Å; I17-V73 HydrophobicContact CG2-CB 4.32Å; I17-V73 HydrophobicContact CG2-CG1 4.24Å; I17-V73 HydrophobicContact CG2-CG2 4.19Å; I17-I75 HydrophobicContact CD1-CD1 4.19Å; I17-I75 HydrophobicContact CD1-CG1 4.45Å; I17-I75 HydrophobicContact CG1-CD1 3.94Å; I17-L148 HydrophobicContact CG1-CD1 4.43Å; I17-L148 HydrophobicContact CG1-CD2 4.26Å
18	L	91.6	Very high	90.8	Very high	57 Å²	57	54.7 Å²	54.7	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-56.5	-45.8	179.4	179.5	65.2	0	0	0	111.9	I14 Q15 F21 H22 I32	I14-L18 WeakPolarHBondContact O-CB 3.47Å; I14-L18 PolarHBondContact O-N 2.7Å; Q15-L18 PolarHBondContact O-N 3.13Å; L18-F21 PolarHBondContact O-N 2.85Å; L18-H22 WeakPolarHBondContact CD1-NE2 3.23Å; L18-H22 WeakPolarHBondContact O-CB 3.41Å; L18-H22 PolarHBondContact O-N 3.39Å; L18-I32 HydrophobicContact CB-CG1 4.42Å; L18-I32 HydrophobicContact CD1-CG1 3.8Å
19	Q	91.1	Very high	90.7	Very high	115 Å²	115	55 Å²	55	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-46.5	178.1	-76	179.2	-7.5	0	0	111.8	Q15 A16 I17 F21 H22 E23	Q15-Q19 WeakPolarHBondContact O-CB 3.45Å; Q15-Q19 WeakPolarHBondContact O-CG 3.43Å; Q15-Q19 PolarHBondContact O-N 2.82Å; A16-Q19 PolarHBondContact O-N 2.82Å; I17-Q19 VanDerWaalsContact C-N 3.32Å; I17-Q19 PolarHBondContact O-N 2.87Å; Q19-F21 VanDerWaalsContact C-N 3.33Å; Q19-F21 PolarHBondContact O-N 3.03Å; Q19-H22 PolarHBondContact O-N 3.38Å; Q19-E23 WeakPolarHBondContact O-CB 3.44Å; Q19-E23 PolarHBondContact O-N 2.86Å
20	A	91.3	Very high	90.7	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-39.1	178.3	0	0	0	0	0	112.5	A16 I17 E23 I24 L148 P149	A16-A20 PolarHBondContact O-N 2.83Å; A16-A20 VanDerWaalsContact O-N 3.09Å; I17-A20 PolarHBondContact O-N 2.81Å; A20-E23 PolarHBondContact O-N 2.98Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 3.41Å; A20-L148 HydrophobicContact CB-CB 3.5Å; A20-L148 VanDerWaalsContact CB-CB 3.5Å; A20-L148 HydrophobicContact CB-CD1 4.41Å; A20-L148 HydrophobicContact CB-CG 4.48Å; A20-P149 HydrophobicContact CB-CG 4.1Å
21	F	93.5	Very high	91	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69.4	-39.1	176.1	-87.4	-99.4	0	0	0	112.4	V4 I17 L18 Q19 E23 I24 F25 C30 F71 V73 L152	V4-F21 HydrophobicContact CB-CE1 4.31Å; V4-F21 HydrophobicContact CB-CZ 4.46Å; V4-F21 HydrophobicContact CG1-CD1 4.36Å; V4-F21 HydrophobicContact CG1-CD2 4.2Å; V4-F21 HydrophobicContact CG1-CE1 3.95Å; V4-F21 HydrophobicContact CG1-CE2 3.77Å; V4-F21 HydrophobicContact CG1-CG 4.47Å; V4-F21 HydrophobicContact CG1-CZ 3.62Å; V4-F21 HydrophobicContact CG2-CD1 3.47Å; V4-F21 VanDerWaalsContact CG2-CD1 3.47Å; V4-F21 HydrophobicContact CG2-CE1 3.35Å; V4-F21 HydrophobicContact CG2-CG 4.15Å; V4-F21 HydrophobicContact CG2-CZ 3.94Å; I17-F21 HydrophobicContact CG2-CD2 3.72Å; I17-F21 HydrophobicContact CG2-CE2 3.78Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 3.36Å; I17-F21 PolarHBondContact O-N 2.82Å; L18-F21 PolarHBondContact O-N 2.85Å; Q19-F21 VanDerWaalsContact C-N 3.33Å; Q19-F21 PolarHBondContact O-N 3.03Å; F21-E23 VanDerWaalsContact C-N 3.33Å; F21-I24 PolarHBondContact O-N 2.94Å; F21-F25 AromaticContact CD1-CD2 3.71Å; F21-F25 HydrophobicContact CD1-CD2 3.71Å; F21-F25 AromaticContact CD1-CE2 3.59Å; F21-F25 HydrophobicContact CD1-CE2 3.59Å; F21-F25 HydrophobicContact CE1-CD2 4.4Å; F21-F25 AromaticContact CE1-CE2 3.81Å; F21-F25 HydrophobicContact CE1-CE2 3.81Å; F21-F25 HydrophobicContact CG-CD2 4.5Å; F21-F25 WeakPolarHBondContact O-CB 3.37Å; F21-F25 PolarHBondContact O-N 2.82Å; F21-C30 HydrophobicContact CB-CB 4.4Å; F21-F71 HydrophobicContact CE1-CB 4.09Å; F21-F71 HydrophobicContact CE1-CD1 4.23Å; F21-F71 AromaticContact CE1-CD2 3.71Å; F21-F71 HydrophobicContact CE1-CD2 3.71Å; F21-F71 HydrophobicContact CE1-CE2 4.19Å; F21-F71 AromaticContact CE1-CG 3.74Å; F21-F71 HydrophobicContact CE1-CG 3.74Å; F21-F71 HydrophobicContact CZ-CB 3.91Å; F21-F71 HydrophobicContact CZ-CD1 4.23Å; F21-F71 HydrophobicContact CZ-CD2 4.35Å; F21-F71 AromaticContact CZ-CG 3.91Å; F21-F71 HydrophobicContact CZ-CG 3.91Å; F21-V73 HydrophobicContact CE2-CG2 3.86Å; F21-V73 HydrophobicContact CZ-CG2 4.01Å; F21-L152 HydrophobicContact CB-CD2 4.31Å; F21-L152 HydrophobicContact CD1-CD1 4.3Å; F21-L152 HydrophobicContact CD1-CD2 3.83Å; F21-L152 HydrophobicContact CD2-CD2 3.72Å; F21-L152 HydrophobicContact CE1-CD1 3.64Å; F21-L152 HydrophobicContact CE1-CD2 4.02Å; F21-L152 HydrophobicContact CE2-CD1 3.94Å; F21-L152 HydrophobicContact CE2-CD2 3.92Å; F21-L152 HydrophobicContact CG-CD2 3.7Å; F21-L152 HydrophobicContact CZ-CD1 3.46Å; F21-L152 VanDerWaalsContact CZ-CD1 3.46Å; F21-L152 HydrophobicContact CZ-CD2 4.09Å; F21-L152 HydrophobicContact CZ-CG 4.42Å
22	H	91.7	Very high	91.2	Very high	50 Å²	50	52.6 Å²	52.6	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-38.5	173.2	-75.7	-179.2	0	0	0	112.6	L18 Q19 I24 G26	L18-H22 WeakPolarHBondContact CD1-NE2 3.23Å; L18-H22 WeakPolarHBondContact O-CB 3.41Å; L18-H22 PolarHBondContact O-N 3.39Å; Q19-H22 PolarHBondContact O-N 3.38Å; H22-I24 VanDerWaalsContact C-N 3.33Å; H22-I24 PolarHBondContact O-N 3.33Å; H22-G26 CarbonylContact O-C 3.41Å; H22-G26 VanDerWaalsContact O-C 3.3Å; H22-G26 WeakPolarHBondContact O-CA 3.49Å; H22-G26 PolarHBondContact O-N 3.07Å
23	E	91.3	Very high	91.8	Very high	140 Å²	140	53.2 Å²	53.2	65%	0.654	28%	0.284	S	S	*	.	H	α-helix	trans	-63.2	-40	177.9	-173.1	179.2	165.6	0	0	111.9	Q19 A20 F21 P149	Q19-E23 WeakPolarHBondContact O-CB 3.44Å; Q19-E23 PolarHBondContact O-N 2.86Å; A20-E23 PolarHBondContact O-N 2.98Å; F21-E23 VanDerWaalsContact C-N 3.33Å; E23-P149 WeakPolarHBondContact OE2-CG 3.4Å
24	I	90.6	Very high	92.2	Very high	60 Å²	60	55.1 Å²	55.1	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-86.3	-41.6	-175.6	-61	-61	0	0	0	113	A20 F21 H22 P149 L152 I156	A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 3.41Å; F21-I24 PolarHBondContact O-N 2.94Å; H22-I24 VanDerWaalsContact C-N 3.33Å; H22-I24 PolarHBondContact O-N 3.33Å; I24-P149 HydrophobicContact CD1-CB 4.37Å; I24-L152 HydrophobicContact CB-CD2 3.88Å; I24-L152 HydrophobicContact CB-CG 4.44Å; I24-L152 HydrophobicContact CG1-CB 4.47Å; I24-L152 HydrophobicContact CG1-CD2 3.85Å; I24-L152 HydrophobicContact CG1-CG 4.27Å; I24-L152 HydrophobicContact CG2-CD2 4.33Å; I24-L152 HydrophobicContact CG2-CG 4.42Å; I24-I156 HydrophobicContact CG2-CD1 3.48Å; I24-I156 VanDerWaalsContact CG2-CD1 3.48Å
25	F	91.5	Very high	92.4	Very high	55 Å²	55	54.3 Å²	54.3	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-104	-8.2	-174.6	-65.4	-68.3	0	0	0	114.4	H2 F21 S29 F71 L152 I156	H2-F25 AromaticContact CD2-CD1 3.77Å; H2-F25 AromaticContact CD2-CE1 3.96Å; H2-F25 AromaticContact CD2-CG 3.83Å; H2-F25 AromaticContact NE2-CD1 3.62Å; H2-F25 AromaticContact NE2-CE1 3.68Å; F21-F25 AromaticContact CD1-CD2 3.71Å; F21-F25 HydrophobicContact CD1-CD2 3.71Å; F21-F25 AromaticContact CD1-CE2 3.59Å; F21-F25 HydrophobicContact CD1-CE2 3.59Å; F21-F25 HydrophobicContact CE1-CD2 4.4Å; F21-F25 AromaticContact CE1-CE2 3.81Å; F21-F25 HydrophobicContact CE1-CE2 3.81Å; F21-F25 HydrophobicContact CG-CD2 4.5Å; F21-F25 WeakPolarHBondContact O-CB 3.37Å; F21-F25 PolarHBondContact O-N 2.82Å; F25-S29 WeakPolarHBondContact CB-OG 3.36Å; F25-S29 WeakPolarHBondContact O-CB 3.37Å; F25-S29 PolarHBondContact O-OG 2.82Å; F25-F71 HydrophobicContact CE2-CE2 4.15Å; F25-F71 HydrophobicContact CE2-CZ 4.17Å; F25-F71 AromaticContact CZ-CE2 3.93Å; F25-F71 HydrophobicContact CZ-CE2 3.93Å; F25-F71 AromaticContact CZ-CZ 3.7Å; F25-F71 HydrophobicContact CZ-CZ 3.7Å; F25-L152 HydrophobicContact CD2-CD2 4.37Å; F25-L152 HydrophobicContact CE2-CD1 4.19Å; F25-L152 HydrophobicContact CE2-CD2 4.08Å; F25-L152 HydrophobicContact CE2-CG 4.38Å; F25-I156 HydrophobicContact CE1-CD1 3.64Å; F25-I156 HydrophobicContact CE1-CG1 4.2Å; F25-I156 HydrophobicContact CE2-CD1 3.61Å; F25-I156 HydrophobicContact CE2-CG1 4.39Å; F25-I156 HydrophobicContact CZ-CD1 3.1Å; F25-I156 HydrophobicContact CZ-CG1 3.6Å
26	G	91.1	Very high	92.7	Very high	33 Å²	33	52.8 Å²	52.8	34%	0.34	30%	0.303	S	S	.	.			trans	91.7	156.1	-173.3	0	0	0	0	0	113.3	H22 S29	H22-G26 CarbonylContact O-C 3.41Å; H22-G26 VanDerWaalsContact O-C 3.3Å; H22-G26 WeakPolarHBondContact O-CA 3.49Å; H22-G26 PolarHBondContact O-N 3.07Å; G26-S29 VanDerWaalsContact O-CB 3.26Å; G26-S29 WeakPolarHBondContact O-CB 3Å; G26-S29 PolarHBondContact O-N 3.48Å; G26-S29 PolarHBondContact O-OG 3.43Å
27	E	90.2	Very high	93.1	Very high	180 Å²	180	53.3 Å²	53.3	84%	0.841	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	137.2	179.6	-166.4	171.1	-166.1	0	0	111.6	S29	E27-S29 PolarHBondContact O-N 2.91Å
28	G	89.8	Confident	93.3	Very high	48 Å²	48	60.4 Å²	60.4	50%	0.495	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	4.9	-179.1	0	0	0	0	0	115.1
29	S	91.9	Very high	93.6	Very high	24 Å²	24	57.9 Å²	57.9	17%	0.168	33%	0.326	C	S	.	.	S	Bend	trans	-79.6	-16.4	177.6	64.9	0	0	0	0	113.8	M1 H2 F25 G26 E27	M1-S29 CarbonylContact C-O 3.55Å; M1-S29 WeakPolarHBondContact CA-O 3.44Å; M1-S29 WeakPolarHBondContact CG-O 3.22Å; H2-S29 PolarHBondContact N-O 2.88Å; F25-S29 WeakPolarHBondContact CB-OG 3.36Å; F25-S29 WeakPolarHBondContact O-CB 3.37Å; F25-S29 PolarHBondContact O-OG 2.82Å; G26-S29 VanDerWaalsContact O-CB 3.26Å; G26-S29 WeakPolarHBondContact O-CB 3Å; G26-S29 PolarHBondContact O-N 3.48Å; G26-S29 PolarHBondContact O-OG 3.43Å; E27-S29 PolarHBondContact O-N 2.91Å
30	C	92.9	Very high	93.9	Very high	13 Å²	13	55.5 Å²	55.5	9%	0.088	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.4	-170.3	-62.3	0	0	0	0	112	H2 V4 F21	H2-C30 CarbonylContact O-C 3.43Å; H2-C30 WeakPolarHBondContact O-CA 3.49Å; V4-C30 HydrophobicContact CG2-CB 4.21Å; F21-C30 HydrophobicContact CB-CB 4.4Å
31	H	94.4	Very high	94.1	Very high	96 Å²	96	56.8 Å²	56.8	44%	0.444	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.4	167.7	-174.7	76	0	0	0	108.8	M1 H2 Q3 V4	M1-H31 HydrophobicContact CG-CB 4.24Å; M1-H31 HydrophobicContact SD-CB 4Å; H2-H31 PolarHBondContact O-N 3.17Å; Q3-H31 PolarHBondContact OE1-CD2 3.28Å; V4-H31 PolarHBondContact N-O 3.43Å
32	I	94.1	Very high	94.1	Very high	39 Å²	39	60.4 Å²	60.4	20%	0.2	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.9	-179.6	-65.9	-79.3	0	0	0	109.8	V4 I14 I17 L18	V4-I32 HydrophobicContact CB-CD1 3.75Å; V4-I32 HydrophobicContact CG1-CD1 3.71Å; V4-I32 WeakPolarHBondContact O-CA 3.36Å; I14-I32 HydrophobicContact CG2-CG2 4.05Å; I17-I32 HydrophobicContact CG2-CD1 4.12Å; L18-I32 HydrophobicContact CB-CG1 4.42Å; L18-I32 HydrophobicContact CD1-CG1 3.8Å
33	A	96.7	Very high	93.9	Very high	27 Å²	27	65.7 Å²	65.7	22%	0.223	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.5	165.3	0	0	0	0	0	109.4	V4 V5 C6 L66	V4-A33 PolarHBondContact O-N 2.86Å; V5-A33 CarbonylContact C-O 3.49Å; V5-A33 VanDerWaalsContact CA-O 3.29Å; V5-A33 WeakPolarHBondContact CA-O 3.35Å; V5-A33 HydrophobicContact CG2-CB 4.42Å; C6-A33 PolarHBondContact N-O 2.93Å; A33-L66 HydrophobicContact CB-CD1 4.22Å
34	S	97.3	Very high	93.8	Very high	64 Å²	64	60.7 Å²	60.7	45%	0.448	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.3	174.5	62.8	0	0	0	0	110.8	C6 T8	C6-S34 WeakPolarHBondContact O-CA 3.44Å; T8-S34 WeakPolarHBondContact O-CB 3.35Å
35	V	97.8	Very high	93.9	Very high	16 Å²	16	57.9 Å²	57.9	10%	0.097	35%	0.35	C	S	.	.			trans	-127.5	138.8	177.2	-62.7	0	0	0	0	111.6	V5 C6 A7 T8 V37 A62 L65 L66	V5-V35 HydrophobicContact CG1-CG1 4.23Å; V5-V35 HydrophobicContact CG1-CG2 3.58Å; C6-V35 PolarHBondContact O-N 2.99Å; A7-V35 CarbonylContact C-O 3.37Å; T8-V35 PolarHBondContact N-O 2.69Å; T8-V35 VanDerWaalsContact N-O 3.13Å; V35-V37 HydrophobicContact CB-CG1 4.44Å; V35-V37 HydrophobicContact CG2-CG1 4.02Å; V35-A62 HydrophobicContact CG2-CB 3.85Å; V35-L65 HydrophobicContact CB-CD2 3.94Å; V35-L65 HydrophobicContact CG1-CD2 3.93Å; V35-L65 HydrophobicContact CG2-CD2 4.47Å; V35-L66 HydrophobicContact CG1-CD1 3.64Å; V35-L66 HydrophobicContact CG1-CG 4.46Å
36	A	96.9	Very high	94.1	Very high	80 Å²	80	59.8 Å²	59.8	66%	0.661	36%	0.359	S	S	*	.			trans	-85.8	114.2	168.6	0	0	0	0	0	108.8	T9	T9-A36 HydrophobicContact CG2-CB 3.89Å
37	V	97.7	Very high	94.3	Very high	18 Å²	18	59.3 Å²	59.3	11%	0.109	35%	0.353	C	S	.	.			trans	-136.6	145.2	178	-68.4	0	0	0	0	110.2	A7 V35 R58 N61 A62 L65	A7-V37 HydrophobicContact CB-CG2 3.77Å; V35-V37 HydrophobicContact CB-CG1 4.44Å; V35-V37 HydrophobicContact CG2-CG1 4.02Å; V37-R58 HydrophobicContact CG2-CB 4.18Å; V37-R58 HydrophobicContact CG2-CG 4.38Å; V37-R58 WeakPolarHBondContact CG2-O 3.39Å; V37-R58 PolarHBondContact O-NH1 2.93Å; V37-N61 HydrophobicContact CB-CB 3.87Å; V37-N61 HydrophobicContact CG1-CB 4.26Å; V37-N61 HydrophobicContact CG2-CB 4.3Å; V37-A62 HydrophobicContact CG2-CB 4.23Å; V37-L65 HydrophobicContact CG1-CD2 4.11Å
38	E	96.9	Very high	94.7	Very high	149 Å²	149	51.9 Å²	51.9	70%	0.696	32%	0.322	S	S	*	.			trans	-65.3	144.4	179.9	-68.9	-62.2	147.8	0	0	112.3	N61	E38-N61 PolarHBondContact O-ND2 2.67Å
39	S	97	Very high	95	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.028	33%	0.332	C	S	.	.			trans	-87.7	-18.9	171.6	61.8	0	0	0	0	112.6	V41 N57	S39-V41 PolarHBondContact O-N 2.83Å; S39-V41 VanDerWaalsContact O-N 3.17Å; S39-V41 PolarHBondContact OG-N 3.44Å; S39-V41 PolarHBondContact OG-O 3.18Å; S39-N57 WeakPolarHBondContact O-CB 3.37Å; S39-N57 PolarHBondContact O-ND2 3.33Å
40	G	97.2	Very high	95.3	Very high	66 Å²	66	59.2 Å²	59.2	68%	0.68	34%	0.34	S	S	*	.	S	Bend	trans	65.4	10.4	-174.1	0	0	0	0	0	114.4
41	V	96	Very high	95.5	Very high	30 Å²	30	58.6 Å²	58.6	18%	0.182	34%	0.336	C	S	.	.	S	Bend	trans	-127.7	164.2	172.2	-59.5	0	0	0	0	108.3	S39 P45 E50	S39-V41 PolarHBondContact O-N 2.83Å; S39-V41 VanDerWaalsContact O-N 3.17Å; S39-V41 PolarHBondContact OG-N 3.44Å; S39-V41 PolarHBondContact OG-O 3.18Å; V41-P45 HydrophobicContact CG2-CB 4.41Å; V41-E50 HydrophobicContact CB-CG 4.03Å; V41-E50 HydrophobicContact CG1-CG 3.99Å
42	P	92.9	Very high	95.7	Very high	76 Å²	76	57.3 Å²	57.3	49%	0.494	33%	0.327	S	S	.	.			trans	-53.3	152	175	-26.6	36.3	0	0	0	112.9	Q44 P45	P42-Q44 PolarHBondContact O-N 3.49Å; P42-P45 WeakPolarHBondContact O-CD 3.3Å
43	E	87.1	Confident	95.9	Very high	162 Å²	162	57.1 Å²	57.1	76%	0.757	33%	0.331	S	S	*	.	S	Bend	trans	-57.9	-35.1	179.9	-173.4	-177.1	177.9	0	0	112.4	P45	E43-P45 VanDerWaalsContact O-CD 3.23Å; E43-P45 WeakPolarHBondContact O-CD 3.43Å
44	Q	89.4	Confident	96	Very high	35 Å²	35	55.8 Å²	55.8	16%	0.164	32%	0.321	C	S	.	.	S	Bend	trans	-110.3	85.7	172.6	-174.9	62.9	73.7	0	0	109.1	P42 F46 I79 V114 L120	P42-Q44 PolarHBondContact O-N 3.49Å; Q44-F46 HydrophobicContact CG-CE2 4.32Å; Q44-F46 WeakPolarHBondContact O-CD2 3.44Å; Q44-I79 HydrophobicContact CG-CD1 4.38Å; Q44-V114 HydrophobicContact CG-CG1 3.97Å; Q44-L120 VanDerWaalsContact OE1-CB 3.25Å
45	P	94	Very high	96	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.299	C	S	.	.			trans	-68.4	143.5	178.8	27.5	-33.4	0	0	0	111	V41 P42 E43 E50 T51 E76 A77 G78 I79	V41-P45 HydrophobicContact CG2-CB 4.41Å; P42-P45 WeakPolarHBondContact O-CD 3.3Å; E43-P45 VanDerWaalsContact O-CD 3.23Å; E43-P45 WeakPolarHBondContact O-CD 3.43Å; P45-E50 VanDerWaalsContact CA-OE1 3.24Å; P45-E50 WeakPolarHBondContact CA-OE1 3.24Å; P45-E50 HydrophobicContact CB-CB 4.27Å; P45-E50 HydrophobicContact CB-CG 3.85Å; P45-T51 HydrophobicContact CG-CG2 4.09Å; P45-E76 HydrophobicContact CG-CG 4.46Å; P45-A77 WeakPolarHBondContact CD-O 3.49Å; P45-A77 VanDerWaalsContact CG-O 3.32Å; P45-A77 WeakPolarHBondContact CG-O 3.49Å; P45-G78 WeakPolarHBondContact O-CA 3.29Å; P45-I79 PolarHBondContact O-N 2.73Å; P45-I79 VanDerWaalsContact O-N 3.14Å
46	F	95	Very high	96	Very high	96 Å²	96	55.4 Å²	55.4	42%	0.421	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-110.5	128.8	174.6	-76.5	-87.5	0	0	0	110.4	Q44 E50 I79 V114	Q44-F46 HydrophobicContact CG-CE2 4.32Å; Q44-F46 WeakPolarHBondContact O-CD2 3.44Å; F46-E50 PolarHBondContact N-OE1 3.11Å; F46-I79 CarbonylContact C-O 3.6Å; F46-I79 WeakPolarHBondContact CA-O 3.32Å; F46-I79 HydrophobicContact CD1-CB 4.09Å; F46-I79 HydrophobicContact CD1-CG2 4.08Å; F46-I79 HydrophobicContact CE1-CB 4.13Å; F46-I79 HydrophobicContact CE1-CD1 4.43Å; F46-I79 HydrophobicContact CE1-CG2 4Å; F46-V114 HydrophobicContact CE1-CG1 4.31Å; F46-V114 HydrophobicContact CZ-CG1 3.74Å
47	G	96.3	Very high	96.1	Very high	22 Å²	22	54.7 Å²	54.7	23%	0.227	29%	0.293	C	S	.	.	S	Bend	trans	90.9	149.2	-174.9	0	0	0	0	0	113.1	E49 T51 I79	G47-E49 VanDerWaalsContact C-N 3.3Å; G47-E49 PolarHBondContact O-N 3.24Å; G47-T51 WeakPolarHBondContact O-CB 3.13Å; G47-T51 PolarHBondContact O-N 2.89Å; G47-T51 VanDerWaalsContact O-N 3.16Å; G47-T51 PolarHBondContact O-OG1 3.32Å; G47-I79 PolarHBondContact N-O 2.97Å
48	S	96.9	Very high	96.1	Very high	25 Å²	25	56.3 Å²	56.3	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-38.1	179.1	-173.8	0	0	0	0	113	R52 W87	S48-R52 WeakPolarHBondContact O-CB 3.37Å; S48-R52 PolarHBondContact O-N 3.38Å; S48-W87 PolarHBondContact O-NE1 2.87Å; S48-W87 VanDerWaalsContact O-NE1 3.12Å; S48-W87 PolarHBondContact OG-NE1 2.76Å
49	E	97.8	Very high	96.2	Very high	152 Å²	152	49.2 Å²	49.2	71%	0.71	26%	0.264	S	S	*	.	H	α-helix	trans	-69.3	-46.6	-176.8	-63.7	-168.7	155.8	0	0	112.8	G47 R52 A53	G47-E49 VanDerWaalsContact C-N 3.3Å; G47-E49 PolarHBondContact O-N 3.24Å; E49-R52 PolarHBondContact O-N 2.69Å; E49-A53 WeakPolarHBondContact O-CB 3.45Å; E49-A53 PolarHBondContact O-N 2.63Å
50	E	97.9	Very high	96.3	Very high	73 Å²	73	51 Å²	51	34%	0.341	28%	0.278	S	S	.	.	H	α-helix	trans	-63.8	-42.7	177.2	-172.1	173.4	82	0	0	111	V41 P45 F46 R52 A53 G54	V41-E50 HydrophobicContact CB-CG 4.03Å; V41-E50 HydrophobicContact CG1-CG 3.99Å; P45-E50 VanDerWaalsContact CA-OE1 3.24Å; P45-E50 WeakPolarHBondContact CA-OE1 3.24Å; P45-E50 HydrophobicContact CB-CB 4.27Å; P45-E50 HydrophobicContact CB-CG 3.85Å; F46-E50 PolarHBondContact N-OE1 3.11Å; E50-R52 VanDerWaalsContact C-N 3.33Å; E50-R52 PolarHBondContact O-N 2.96Å; E50-A53 WeakPolarHBondContact O-CB 3.45Å; E50-A53 PolarHBondContact O-N 3.24Å; E50-A53 VanDerWaalsContact O-N 3.17Å; E50-G54 PolarHBondContact O-N 3Å
51	T	96.8	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-43.7	176.1	-51.9	0	0	0	0	111.3	P45 G47 G54 A55 E76 G78 F85	P45-T51 HydrophobicContact CG-CG2 4.09Å; G47-T51 WeakPolarHBondContact O-CB 3.13Å; G47-T51 PolarHBondContact O-N 2.89Å; G47-T51 VanDerWaalsContact O-N 3.16Å; G47-T51 PolarHBondContact O-OG1 3.32Å; T51-G54 PolarHBondContact O-N 3.21Å; T51-A55 PolarHBondContact O-N 3.4Å; T51-A55 VanDerWaalsContact O-N 3.14Å; T51-E76 HydrophobicContact CG2-CB 4.27Å; T51-E76 HydrophobicContact CG2-CG 4.38Å; T51-E76 WeakPolarHBondContact CG2-O 3.26Å; T51-G78 WeakPolarHBondContact OG1-CA 3.24Å; T51-F85 HydrophobicContact CG2-CE2 3.91Å; T51-F85 HydrophobicContact CG2-CZ 4.16Å
52	R	98.1	Very high	96.5	Very high	70 Å²	70	49.3 Å²	49.3	26%	0.264	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-39.5	175.9	-169.6	173.1	63.2	171.6	-6.2	111.9	S48 E49 E50 G54 A55 R56 W87 E98	S48-R52 WeakPolarHBondContact O-CB 3.37Å; S48-R52 PolarHBondContact O-N 3.38Å; E49-R52 PolarHBondContact O-N 2.69Å; E50-R52 VanDerWaalsContact C-N 3.33Å; E50-R52 PolarHBondContact O-N 2.96Å; R52-G54 VanDerWaalsContact C-N 3.34Å; R52-A55 PolarHBondContact O-N 2.89Å; R52-R56 WeakPolarHBondContact O-CG 3.08Å; R52-R56 PolarHBondContact O-N 2.98Å; R52-W87 HydrophobicContact CB-CD2 3.89Å; R52-W87 HydrophobicContact CB-CG 3.78Å; R52-W87 HydrophobicContact CG-CD2 3.79Å; R52-W87 HydrophobicContact CG-CE3 4.03Å; R52-W87 HydrophobicContact CG-CG 4.07Å; R52-W87 HydrophobicContact CG-CZ2 4.45Å; R52-W87 HydrophobicContact CG-CZ3 4.47Å; R52-E98 WeakPolarHBondContact CD-OE2 3.45Å
53	A	98.5	Very high	96.7	Very high	34 Å²	34	49.7 Å²	49.7	28%	0.281	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-44	176.1	0	0	0	0	0	110.8	E49 E50 A55 R56 N57	E49-A53 WeakPolarHBondContact O-CB 3.45Å; E49-A53 PolarHBondContact O-N 2.63Å; E50-A53 WeakPolarHBondContact O-CB 3.45Å; E50-A53 PolarHBondContact O-N 3.24Å; E50-A53 VanDerWaalsContact O-N 3.17Å; A53-A55 PolarHBondContact O-N 3.3Å; A53-R56 PolarHBondContact O-N 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.36Å; A53-N57 PolarHBondContact O-N 2.89Å; A53-N57 PolarHBondContact O-ND2 2.6Å; A53-N57 PolarHBondContact O-OD1 3.43Å
54	G	98.3	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.8	-47.6	174	0	0	0	0	0	113	E50 T51 R52 R56 N57 R58	E50-G54 PolarHBondContact O-N 3Å; T51-G54 PolarHBondContact O-N 3.21Å; R52-G54 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 3.49Å; G54-N57 PolarHBondContact O-N 3.05Å; G54-R58 WeakPolarHBondContact O-CG 3.39Å; G54-R58 PolarHBondContact O-N 2.88Å
55	A	97.5	Very high	97.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-46.3	176.2	0	0	0	0	0	112.4	T51 R52 A53 N57 R58 V59 A74 E76 W87 V89	T51-A55 PolarHBondContact O-N 3.4Å; T51-A55 VanDerWaalsContact O-N 3.14Å; R52-A55 PolarHBondContact O-N 2.89Å; A53-A55 PolarHBondContact O-N 3.3Å; A55-N57 PolarHBondContact O-N 3.35Å; A55-R58 PolarHBondContact O-N 3.4Å; A55-V59 PolarHBondContact O-N 3.01Å; A55-A74 HydrophobicContact CB-CB 4.42Å; A55-A74 WeakPolarHBondContact O-CB 3.38Å; A55-E76 HydrophobicContact CB-CB 3.72Å; A55-W87 HydrophobicContact CB-CB 4.17Å; A55-V89 HydrophobicContact CB-CB 4.34Å; A55-V89 HydrophobicContact CB-CG2 3.58Å
56	R	98.5	Very high	97.8	Very high	72 Å²	72	58.6 Å²	58.6	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-42.9	177.7	-73.3	170.6	172.5	175.7	-4.5	112.2	R52 A53 G54 V59 A60 V89 E98	R52-R56 WeakPolarHBondContact O-CG 3.08Å; R52-R56 PolarHBondContact O-N 2.98Å; A53-R56 PolarHBondContact O-N 3.22Å; G54-R56 PolarHBondContact O-N 3.49Å; R56-V59 PolarHBondContact O-N 3.17Å; R56-A60 WeakPolarHBondContact O-CB 3.26Å; R56-A60 PolarHBondContact O-N 3.49Å; R56-V89 HydrophobicContact CG-CG2 4.13Å; R56-E98 IonicContact CZ-OE1 3.34Å; R56-E98 VanDerWaalsContact CZ-OE1 3.28Å; R56-E98 IonicContact CZ-OE2 3.51Å; R56-E98 VanDerWaalsContact NE-CD 3.32Å; R56-E98 IonicContact NE-OE1 3.25Å; R56-E98 PolarHBondContact NE-OE1 3.38Å; R56-E98 IonicContact NE-OE2 3.65Å; R56-E98 PolarHBondContact NE-OE2 3.32Å; R56-E98 VanDerWaalsContact NH2-CD 3.27Å; R56-E98 IonicContact NH2-OE1 2.68Å; R56-E98 PolarHBondContact NH2-OE1 2.89Å; R56-E98 IonicContact NH2-OE2 3.17Å; R56-E98 PolarHBondContact NH2-OE2 3.44Å
57	N	98.7	Very high	97.9	Very high	64 Å²	64	57.8 Å²	57.8	34%	0.342	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-42.4	179	-71.1	-10.8	0	0	0	111.2	S39 A53 G54 A55 V59 A60 N61	S39-N57 WeakPolarHBondContact O-CB 3.37Å; S39-N57 PolarHBondContact O-ND2 3.33Å; A53-N57 WeakPolarHBondContact O-CB 3.36Å; A53-N57 PolarHBondContact O-N 2.89Å; A53-N57 PolarHBondContact O-ND2 2.6Å; A53-N57 PolarHBondContact O-OD1 3.43Å; G54-N57 PolarHBondContact O-N 3.05Å; A55-N57 PolarHBondContact O-N 3.35Å; N57-V59 PolarHBondContact O-N 3.37Å; N57-A60 PolarHBondContact O-N 3.27Å; N57-N61 WeakPolarHBondContact O-CB 3.35Å; N57-N61 PolarHBondContact O-N 3.48Å; N57-N61 PolarHBondContact O-ND2 3.36Å
58	R	98.5	Very high	98	Very high	52 Å²	52	65.2 Å²	65.2	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-45.5	173.9	-75.4	-165.7	-163.9	-84.2	0.1	111.9	A7 V37 G54 A55 N61 A62 A74 E76	A7-R58 HydrophobicContact CB-CB 3.88Å; A7-R58 WeakPolarHBondContact O-CD 3.3Å; V37-R58 HydrophobicContact CG2-CB 4.18Å; V37-R58 HydrophobicContact CG2-CG 4.38Å; V37-R58 WeakPolarHBondContact CG2-O 3.39Å; V37-R58 PolarHBondContact O-NH1 2.93Å; G54-R58 WeakPolarHBondContact O-CG 3.39Å; G54-R58 PolarHBondContact O-N 2.88Å; A55-R58 PolarHBondContact O-N 3.4Å; R58-N61 PolarHBondContact O-N 2.9Å; R58-A62 VanDerWaalsContact O-CB 3.28Å; R58-A62 WeakPolarHBondContact O-CB 3.46Å; R58-A62 PolarHBondContact O-N 2.92Å; R58-A74 HydrophobicContact CB-CB 3.85Å; R58-E76 WeakPolarHBondContact CD-OE2 3.36Å; R58-E76 IonicContact CZ-OE1 2.99Å; R58-E76 IonicContact CZ-OE2 3.07Å; R58-E76 VanDerWaalsContact NE-CD 3.31Å; R58-E76 IonicContact NE-OE1 3.91Å; R58-E76 PolarHBondContact NE-OE1 2.99Å; R58-E76 VanDerWaalsContact NE-OE1 3.17Å; R58-E76 IonicContact NE-OE2 3.28Å; R58-E76 PolarHBondContact NE-OE2 3.27Å; R58-E76 IonicContact NH2-OE1 2.69Å; R58-E76 PolarHBondContact NH2-OE1 3.23Å; R58-E76 IonicContact NH2-OE2 2.67Å
59	V	98.5	Very high	98	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-47.9	175.2	169	0	0	0	0	111.4	A55 R56 N57 N61 A62 R63 W72 A74 V89 E91	A55-V59 PolarHBondContact O-N 3.01Å; R56-V59 PolarHBondContact O-N 3.17Å; N57-V59 PolarHBondContact O-N 3.37Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 2.74Å; V59-A62 PolarHBondContact O-N 2.94Å; V59-R63 WeakPolarHBondContact O-CB 3.4Å; V59-R63 PolarHBondContact O-N 2.96Å; V59-W72 HydrophobicContact CG1-CB 3.87Å; V59-A74 HydrophobicContact CG2-CB 3.57Å; V59-V89 HydrophobicContact CB-CG1 4.33Å; V59-V89 HydrophobicContact CG2-CB 3.92Å; V59-V89 HydrophobicContact CG2-CG1 3.82Å; V59-E91 HydrophobicContact CG1-CB 3.88Å; V59-E91 VanDerWaalsContact CG1-CD 3.43Å; V59-E91 HydrophobicContact CG1-CG 3.65Å
60	A	98.4	Very high	97.9	Very high	41 Å²	41	60.2 Å²	60.2	34%	0.339	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-41.5	179.5	0	0	0	0	0	112.5	R56 N57 R63 R64	R56-A60 WeakPolarHBondContact O-CB 3.26Å; R56-A60 PolarHBondContact O-N 3.49Å; N57-A60 PolarHBondContact O-N 3.27Å; A60-R63 PolarHBondContact O-N 2.89Å; A60-R64 PolarHBondContact O-N 3.45Å
61	N	98.6	Very high	97.9	Very high	62 Å²	62	57.3 Å²	57.3	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-69.8	-41.3	178.5	-70.5	-21.3	0	0	0	111.7	V37 E38 N57 R58 V59 R63 R64 L65	V37-N61 HydrophobicContact CB-CB 3.87Å; V37-N61 HydrophobicContact CG1-CB 4.26Å; V37-N61 HydrophobicContact CG2-CB 4.3Å; E38-N61 PolarHBondContact O-ND2 2.67Å; N57-N61 WeakPolarHBondContact O-CB 3.35Å; N57-N61 PolarHBondContact O-N 3.48Å; N57-N61 PolarHBondContact O-ND2 3.36Å; R58-N61 PolarHBondContact O-N 2.9Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 2.74Å; N61-R63 VanDerWaalsContact C-N 3.3Å; N61-R63 PolarHBondContact O-N 3.38Å; N61-R64 PolarHBondContact O-N 3.36Å; N61-L65 PolarHBondContact O-N 3.14Å
62	A	98.5	Very high	98	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-40.3	173.3	0	0	0	0	0	111.6	V5 A7 V35 V37 R58 V59 L65 L66	V5-A62 HydrophobicContact CG1-CB 3.94Å; A7-A62 HydrophobicContact CB-CB 3.81Å; V35-A62 HydrophobicContact CG2-CB 3.85Å; V37-A62 HydrophobicContact CG2-CB 4.23Å; R58-A62 VanDerWaalsContact O-CB 3.28Å; R58-A62 WeakPolarHBondContact O-CB 3.46Å; R58-A62 PolarHBondContact O-N 2.92Å; V59-A62 PolarHBondContact O-N 2.94Å; A62-L65 PolarHBondContact O-N 3.17Å; A62-L66 PolarHBondContact O-N 2.86Å
63	R	98.2	Very high	98	Very high	84 Å²	84	54 Å²	54	32%	0.317	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-38	175.6	-175.5	169.3	-177.3	169.7	4.3	113.5	V59 A60 N61 L65 L66 P67 W72 E91 N92 T93	V59-R63 WeakPolarHBondContact O-CB 3.4Å; V59-R63 PolarHBondContact O-N 2.96Å; A60-R63 PolarHBondContact O-N 2.89Å; N61-R63 VanDerWaalsContact C-N 3.3Å; N61-R63 PolarHBondContact O-N 3.38Å; R63-L65 VanDerWaalsContact C-N 3.3Å; R63-L66 CarbonylContact O-C 3.59Å; R63-P67 WeakPolarHBondContact O-CA 3.41Å; R63-W72 HydrophobicContact CB-CD2 3.87Å; R63-W72 HydrophobicContact CB-CE3 4.5Å; R63-W72 HydrophobicContact CB-CG 3.95Å; R63-W72 HydrophobicContact CB-CZ2 4.4Å; R63-W72 HydrophobicContact CG-CD2 3.9Å; R63-W72 HydrophobicContact CG-CE3 4.18Å; R63-W72 HydrophobicContact CG-CH2 4.06Å; R63-W72 HydrophobicContact CG-CZ2 3.75Å; R63-W72 HydrophobicContact CG-CZ3 4.26Å; R63-E91 IonicContact NH1-OE2 3.7Å; R63-E91 PolarHBondContact NH1-OE2 2.82Å; R63-N92 PolarHBondContact NH1-O 3.26Å; R63-T93 PolarHBondContact NH2-O 2.99Å; R63-T93 VanDerWaalsContact NH2-O 3.11Å
64	R	98.1	Very high	97.9	Very high	215 Å²	215	52.4 Å²	52.4	81%	0.811	25%	0.253	S	S	*	.	H	α-helix	trans	-65.6	-34.5	171.8	-74.9	-175.2	79	99.2	-1	112.4	A60 N61	A60-R64 PolarHBondContact O-N 3.45Å; N61-R64 PolarHBondContact O-N 3.36Å
65	L	97.8	Very high	97.7	Very high	101 Å²	101	52.5 Å²	52.5	53%	0.529	25%	0.253	S	S	.	.	H	α-helix	trans	-75.5	-42	-178.2	-174.4	63.5	0	0	0	112.4	V35 V37 N61 A62 R63	V35-L65 HydrophobicContact CB-CD2 3.94Å; V35-L65 HydrophobicContact CG1-CD2 3.93Å; V35-L65 HydrophobicContact CG2-CD2 4.47Å; V37-L65 HydrophobicContact CG1-CD2 4.11Å; N61-L65 PolarHBondContact O-N 3.14Å; A62-L65 PolarHBondContact O-N 3.17Å; R63-L65 VanDerWaalsContact C-N 3.3Å
66	L	97.8	Very high	97.5	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.356	25%	0.254	S	S	.	.			trans	-130	77.2	-179.4	-65	176.8	0	0	0	110	V5 A33 V35 A62 R63 E68 W72	V5-L66 HydrophobicContact CG1-CD1 4.15Å; V5-L66 HydrophobicContact CG2-CB 3.97Å; V5-L66 HydrophobicContact CG2-CD1 3.81Å; A33-L66 HydrophobicContact CB-CD1 4.22Å; V35-L66 HydrophobicContact CG1-CD1 3.64Å; V35-L66 HydrophobicContact CG1-CG 4.46Å; A62-L66 PolarHBondContact O-N 2.86Å; R63-L66 CarbonylContact O-C 3.59Å; L66-E68 VanDerWaalsContact C-N 3.29Å; L66-E68 PolarHBondContact O-N 3.09Å; L66-W72 WeakPolarHBondContact O-CZ2 3.12Å; L66-W72 PolarHBondContact O-NE1 3.04Å
67	P	97.3	Very high	97.3	Very high	79 Å²	79	50.2 Å²	50.2	51%	0.513	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.4	-172.8	28.6	-35.7	0	0	0	114.4	R63 A69 W72	R63-P67 WeakPolarHBondContact O-CA 3.41Å; P67-A69 VanDerWaalsContact C-N 3.31Å; P67-A69 PolarHBondContact O-N 2.81Å; P67-W72 WeakPolarHBondContact O-CZ2 3.43Å
68	E	96.6	Very high	97	Very high	178 Å²	178	47.1 Å²	47.1	83%	0.832	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	3.6	-177.1	-56.8	-60	148	0	0	113.6	L66	L66-E68 VanDerWaalsContact C-N 3.29Å; L66-E68 PolarHBondContact O-N 3.09Å
69	A	97.5	Very high	96.7	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	22%	0.223	C	C	.	.			trans	-75.4	159.9	177.8	0	0	0	0	0	112.2	Q3 V5 P67 W72	Q3-A69 HydrophobicContact CB-CB 4.19Å; V5-A69 HydrophobicContact CB-CB 4.47Å; V5-A69 HydrophobicContact CG2-CB 3.4Å; P67-A69 VanDerWaalsContact C-N 3.31Å; P67-A69 PolarHBondContact O-N 2.81Å; A69-W72 HydrophobicContact CB-CZ2 3.89Å; A69-W72 WeakPolarHBondContact O-CH2 3.29Å; A69-W72 WeakPolarHBondContact O-CZ2 3.49Å
70	D	96.9	Very high	96.5	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	24%	0.239	S	C	.	.	S	Bend	trans	-83	-35.3	176.2	-62.3	-65.1	0	0	0	111.5	H2 Q3 N92	H2-D70 VanDerWaalsContact CA-OD2 3.3Å; H2-D70 WeakPolarHBondContact CA-OD2 3.49Å; Q3-D70 PolarHBondContact N-OD2 2.92Å; Q3-D70 PolarHBondContact O-N 3.19Å; D70-N92 WeakPolarHBondContact O-CA 2.93Å; D70-N92 WeakPolarHBondContact O-CB 2.93Å
71	F	97.9	Very high	96.2	Very high	13 Å²	13	48.3 Å²	48.3	6%	0.057	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.3	-177.7	-61.8	-88.4	0	0	0	112.9	H2 Q3 V4 V5 F21 F25 I90 E91 N92 L152 V155 I156	H2-F71 HydrophobicContact CB-CD2 4.38Å; H2-F71 HydrophobicContact CB-CE2 4.24Å; Q3-F71 PolarHBondContact O-N 3.04Å; V4-F71 HydrophobicContact CG1-CB 4.34Å; V4-F71 HydrophobicContact CG2-CB 4.37Å; V4-F71 HydrophobicContact CG2-CD2 4.27Å; V5-F71 PolarHBondContact N-O 3.38Å; F21-F71 HydrophobicContact CE1-CB 4.09Å; F21-F71 HydrophobicContact CE1-CD1 4.23Å; F21-F71 AromaticContact CE1-CD2 3.71Å; F21-F71 HydrophobicContact CE1-CD2 3.71Å; F21-F71 HydrophobicContact CE1-CE2 4.19Å; F21-F71 AromaticContact CE1-CG 3.74Å; F21-F71 HydrophobicContact CE1-CG 3.74Å; F21-F71 HydrophobicContact CZ-CB 3.91Å; F21-F71 HydrophobicContact CZ-CD1 4.23Å; F21-F71 HydrophobicContact CZ-CD2 4.35Å; F21-F71 AromaticContact CZ-CG 3.91Å; F21-F71 HydrophobicContact CZ-CG 3.91Å; F25-F71 HydrophobicContact CE2-CE2 4.15Å; F25-F71 HydrophobicContact CE2-CZ 4.17Å; F25-F71 AromaticContact CZ-CE2 3.93Å; F25-F71 HydrophobicContact CZ-CE2 3.93Å; F25-F71 AromaticContact CZ-CZ 3.7Å; F25-F71 HydrophobicContact CZ-CZ 3.7Å; F71-I90 HydrophobicContact CD1-CG2 4.24Å; F71-E91 CarbonylContact C-O 3.52Å; F71-E91 VanDerWaalsContact CA-O 3.23Å; F71-E91 WeakPolarHBondContact CA-O 3.42Å; F71-N92 HydrophobicContact CD1-CB 3.84Å; F71-N92 HydrophobicContact CE1-CB 3.75Å; F71-L152 HydrophobicContact CD1-CD1 4.37Å; F71-L152 HydrophobicContact CE1-CD1 4.19Å; F71-V155 HydrophobicContact CD1-CG1 4.46Å; F71-V155 HydrophobicContact CE1-CG1 4.22Å; F71-I156 HydrophobicContact CE1-CG1 4.25Å; F71-I156 HydrophobicContact CZ-CG1 4.18Å
72	W	98.4	Very high	96	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.6	170.9	-58.7	-87.8	0	0	0	110	V5 V59 R63 L66 P67 A69 I90 E91 T93	V5-W72 HydrophobicContact CB-CG 4.44Å; V5-W72 WeakPolarHBondContact O-CA 3.37Å; V59-W72 HydrophobicContact CG1-CB 3.87Å; R63-W72 HydrophobicContact CB-CD2 3.87Å; R63-W72 HydrophobicContact CB-CE3 4.5Å; R63-W72 HydrophobicContact CB-CG 3.95Å; R63-W72 HydrophobicContact CB-CZ2 4.4Å; R63-W72 HydrophobicContact CG-CD2 3.9Å; R63-W72 HydrophobicContact CG-CE3 4.18Å; R63-W72 HydrophobicContact CG-CH2 4.06Å; R63-W72 HydrophobicContact CG-CZ2 3.75Å; R63-W72 HydrophobicContact CG-CZ3 4.26Å; L66-W72 WeakPolarHBondContact O-CZ2 3.12Å; L66-W72 PolarHBondContact O-NE1 3.04Å; P67-W72 WeakPolarHBondContact O-CZ2 3.43Å; A69-W72 HydrophobicContact CB-CZ2 3.89Å; A69-W72 WeakPolarHBondContact O-CH2 3.29Å; A69-W72 WeakPolarHBondContact O-CZ2 3.49Å; W72-I90 CarbonylContact O-C 3.56Å; W72-I90 WeakPolarHBondContact O-CA 3.37Å; W72-E91 HydrophobicContact CE3-CB 4.19Å; W72-E91 PolarHBondContact N-O 2.81Å; W72-E91 PolarHBondContact O-N 2.71Å; W72-T93 HydrophobicContact CH2-CG2 4.46Å
73	V	97.8	Very high	95.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.5	-171	-171.1	0	0	0	0	110.8	V4 V5 A7 I17 F21 V89 I90 L148	V4-V73 HydrophobicContact CG1-CG2 3.98Å; V5-V73 PolarHBondContact O-N 3.38Å; A7-V73 WeakPolarHBondContact CB-O 3.07Å; A7-V73 PolarHBondContact N-O 3.48Å; I17-V73 HydrophobicContact CD1-CB 4.03Å; I17-V73 HydrophobicContact CD1-CG1 3.62Å; I17-V73 HydrophobicContact CG1-CB 4.48Å; I17-V73 HydrophobicContact CG1-CG1 3.77Å; I17-V73 HydrophobicContact CG2-CB 4.32Å; I17-V73 HydrophobicContact CG2-CG1 4.24Å; I17-V73 HydrophobicContact CG2-CG2 4.19Å; F21-V73 HydrophobicContact CE2-CG2 3.86Å; F21-V73 HydrophobicContact CZ-CG2 4.01Å; V73-V89 WeakPolarHBondContact CA-O 3.29Å; V73-I90 HydrophobicContact CB-CG1 4.39Å; V73-I90 HydrophobicContact CG1-CG1 3.78Å; V73-I90 HydrophobicContact CG2-CG1 4.05Å; V73-I90 HydrophobicContact CG2-CG2 4.28Å; V73-L148 HydrophobicContact CG1-CD2 4.38Å
74	A	96.7	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.5	169.1	0	0	0	0	0	111.2	A7 A55 R58 V59 V88 V89	A7-A74 HydrophobicContact CB-CB 4.11Å; A55-A74 HydrophobicContact CB-CB 4.42Å; A55-A74 WeakPolarHBondContact O-CB 3.38Å; R58-A74 HydrophobicContact CB-CB 3.85Å; V59-A74 HydrophobicContact CG2-CB 3.57Å; A74-V88 WeakPolarHBondContact O-CA 3.48Å; A74-V89 PolarHBondContact N-O 2.9Å; A74-V89 PolarHBondContact O-N 3.25Å
75	I	94.3	Very high	95.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	110.2	170.9	-53.6	177.5	0	0	0	106.9	K13 I17 W87 V88 L148	K13-I75 HydrophobicContact CB-CD1 4.33Å; K13-I75 HydrophobicContact CD-CB 4.18Å; K13-I75 WeakPolarHBondContact CE-O 3.43Å; K13-I75 HydrophobicContact CG-CB 4.48Å; K13-I75 PolarHBondContact NZ-O 3.07Å; I17-I75 HydrophobicContact CD1-CD1 4.19Å; I17-I75 HydrophobicContact CD1-CG1 4.45Å; I17-I75 HydrophobicContact CG1-CD1 3.94Å; I75-W87 CarbonylContact C-O 3.55Å; I75-W87 WeakPolarHBondContact CA-O 3.23Å; I75-V88 HydrophobicContact CG1-CG1 4.42Å; I75-V88 HydrophobicContact CG1-CG2 4.18Å; I75-V88 HydrophobicContact CG2-CG2 4.3Å; I75-L148 HydrophobicContact CD1-CD1 3.97Å; I75-L148 HydrophobicContact CD1-CD2 4.24Å; I75-L148 HydrophobicContact CD1-CG 4.48Å
76	E	93.6	Very high	94.8	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.1	179.9	-156	70.1	174.9	0	0	110.2	P45 T51 A55 R58 S86 W87	P45-E76 HydrophobicContact CG-CG 4.46Å; T51-E76 HydrophobicContact CG2-CB 4.27Å; T51-E76 HydrophobicContact CG2-CG 4.38Å; T51-E76 WeakPolarHBondContact CG2-O 3.26Å; A55-E76 HydrophobicContact CB-CB 3.72Å; R58-E76 WeakPolarHBondContact CD-OE2 3.36Å; R58-E76 IonicContact CZ-OE1 2.99Å; R58-E76 IonicContact CZ-OE2 3.07Å; R58-E76 VanDerWaalsContact NE-CD 3.31Å; R58-E76 IonicContact NE-OE1 3.91Å; R58-E76 PolarHBondContact NE-OE1 2.99Å; R58-E76 VanDerWaalsContact NE-OE1 3.17Å; R58-E76 IonicContact NE-OE2 3.28Å; R58-E76 PolarHBondContact NE-OE2 3.27Å; R58-E76 IonicContact NH2-OE1 2.69Å; R58-E76 PolarHBondContact NH2-OE1 3.23Å; R58-E76 IonicContact NH2-OE2 2.67Å; E76-S86 CarbonylContact O-C 3.4Å; E76-S86 WeakPolarHBondContact O-CA 3.33Å; E76-S86 WeakPolarHBondContact O-CB 3.33Å; E76-W87 PolarHBondContact N-O 2.92Å; E76-W87 PolarHBondContact O-N 3.22Å
77	A	92.4	Very high	94.7	Very high	17 Å²	17	30 Å²	30	14%	0.14	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.5	175.9	0	0	0	0	0	110	P45 F85 P135	P45-A77 WeakPolarHBondContact CD-O 3.49Å; P45-A77 VanDerWaalsContact CG-O 3.32Å; P45-A77 WeakPolarHBondContact CG-O 3.49Å; A77-F85 VanDerWaalsContact CA-O 3.29Å; A77-F85 WeakPolarHBondContact CA-O 3.39Å; A77-P135 HydrophobicContact CB-CB 4.35Å
78	G	93.1	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	173.5	179.7	0	0	0	0	0	112.1	P45 T51 T84 F85	P45-G78 WeakPolarHBondContact O-CA 3.29Å; T51-G78 WeakPolarHBondContact OG1-CA 3.24Å; G78-T84 WeakPolarHBondContact O-CA 3.5Å; G78-T84 PolarHBondContact O-OG1 3.48Å; G78-F85 PolarHBondContact N-O 2.94Å; G78-F85 WeakPolarHBondContact O-CD1 3.35Å; G78-F85 WeakPolarHBondContact O-CE1 3.1Å; G78-F85 PolarHBondContact O-N 3.24Å
79	I	92.6	Very high	94.6	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.5	179.9	-69.2	170.4	0	0	0	109.6	Q44 P45 F46 G47 S83 L106 L111 V114 L120	Q44-I79 HydrophobicContact CG-CD1 4.38Å; P45-I79 PolarHBondContact O-N 2.73Å; P45-I79 VanDerWaalsContact O-N 3.14Å; F46-I79 CarbonylContact C-O 3.6Å; F46-I79 WeakPolarHBondContact CA-O 3.32Å; F46-I79 HydrophobicContact CD1-CB 4.09Å; F46-I79 HydrophobicContact CD1-CG2 4.08Å; F46-I79 HydrophobicContact CE1-CB 4.13Å; F46-I79 HydrophobicContact CE1-CD1 4.43Å; F46-I79 HydrophobicContact CE1-CG2 4Å; G47-I79 PolarHBondContact N-O 2.97Å; I79-S83 WeakPolarHBondContact CA-O 3.39Å; I79-L106 HydrophobicContact CD1-CD1 4.16Å; I79-L106 HydrophobicContact CG1-CD1 4.31Å; I79-L111 HydrophobicContact CG2-CD2 4.32Å; I79-V114 HydrophobicContact CD1-CB 4.07Å; I79-V114 HydrophobicContact CD1-CG1 3.25Å; I79-V114 HydrophobicContact CD1-CG2 4.35Å; I79-L120 HydrophobicContact CD1-CD2 4.46Å
80	D	93.8	Very high	94.6	Very high	63 Å²	63	17.3 Å²	17.3	34%	0.337	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	118.7	179.6	-176.2	29.5	0	0	0	108.1	D82 S83 F85 R100	D80-D82 PolarHBondContact O-N 3.46Å; D80-S83 PolarHBondContact N-O 2.91Å; D80-S83 PolarHBondContact O-N 3.41Å; D80-F85 HydrophobicContact CB-CD1 3.97Å; D80-F85 HydrophobicContact CB-CE1 3.22Å; D80-F85 HydrophobicContact CB-CZ 3.92Å; D80-R100 IonicContact OD2-CZ 3.57Å; D80-R100 IonicContact OD2-NH1 3.46Å; D80-R100 PolarHBondContact OD2-NH1 3.49Å; D80-R100 IonicContact OD2-NH2 2.82Å; D80-R100 PolarHBondContact OD2-NH2 2.91Å
81	G	92.8	Very high	94.6	Very high	52 Å²	52	14.9 Å²	14.9	54%	0.536	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-117.5	-164.5	0	0	0	0	0	112.1	R115	G81-R115 PolarHBondContact O-NH2 2.84Å
82	D	93.4	Very high	94.6	Very high	93 Å²	93	15.3 Å²	15.3	50%	0.497	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	17.6	-177	-62.9	-26.9	0	0	0	112.3	D80 L106 L111 R115	D80-D82 PolarHBondContact O-N 3.46Å; D82-L106 PolarHBondContact O-N 3.3Å; D82-L111 HydrophobicContact CB-CD1 3.57Å; D82-R115 IonicContact OD1-CZ 2.93Å; D82-R115 IonicContact OD1-NH2 2.66Å; D82-R115 PolarHBondContact OD1-NH2 3.09Å
83	S	91.9	Very high	94.3	Very high	22 Å²	22	19.4 Å²	19.4	15%	0.154	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149	-174.3	-62.9	0	0	0	0	112.8	I79 D80 L104 P105	I79-S83 WeakPolarHBondContact CA-O 3.39Å; D80-S83 PolarHBondContact N-O 2.91Å; D80-S83 PolarHBondContact O-N 3.41Å; S83-L104 CarbonylContact C-O 3.3Å; S83-L104 VanDerWaalsContact CA-O 3.25Å; S83-L104 WeakPolarHBondContact CA-O 3.28Å; S83-L104 WeakPolarHBondContact CB-O 3.41Å; S83-P105 WeakPolarHBondContact OG-CA 3.19Å
84	T	91.8	Very high	94.1	Very high	1 Å²	1	25 Å²	25	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	148.7	165.9	-171.6	0	0	0	0	110.8	G78 T103 L104 L106 L120 P135	G78-T84 WeakPolarHBondContact O-CA 3.5Å; G78-T84 PolarHBondContact O-OG1 3.48Å; T84-T103 WeakPolarHBondContact O-CA 3.29Å; T84-L104 HydrophobicContact CG2-CB 3.84Å; T84-L104 HydrophobicContact CG2-CD2 4.12Å; T84-L104 HydrophobicContact CG2-CG 4.29Å; T84-L104 PolarHBondContact N-O 3.41Å; T84-L104 PolarHBondContact O-N 3.16Å; T84-L106 HydrophobicContact CG2-CD1 4.43Å; T84-L106 HydrophobicContact CG2-CD2 3.92Å; T84-L106 HydrophobicContact CG2-CG 4.2Å; T84-L120 HydrophobicContact CG2-CD2 4.13Å; T84-P135 HydrophobicContact CG2-CG 4.35Å
85	F	91.8	Very high	94.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-177	175.4	62.5	-77.6	0	0	0	109.2	T51 A77 G78 D80 W87 R100 S101 T103	T51-F85 HydrophobicContact CG2-CE2 3.91Å; T51-F85 HydrophobicContact CG2-CZ 4.16Å; A77-F85 VanDerWaalsContact CA-O 3.29Å; A77-F85 WeakPolarHBondContact CA-O 3.39Å; G78-F85 PolarHBondContact N-O 2.94Å; G78-F85 WeakPolarHBondContact O-CD1 3.35Å; G78-F85 WeakPolarHBondContact O-CE1 3.1Å; G78-F85 PolarHBondContact O-N 3.24Å; D80-F85 HydrophobicContact CB-CD1 3.97Å; D80-F85 HydrophobicContact CB-CE1 3.22Å; D80-F85 HydrophobicContact CB-CZ 3.92Å; F85-W87 AromaticContact CE2-CD1 3.62Å; F85-W87 AromaticContact CE2-NE1 3.81Å; F85-R100 HydrophobicContact CD2-CG 3.63Å; F85-R100 VanDerWaalsContact CE1-NH2 3.32Å; F85-R100 HydrophobicContact CE2-CG 4.28Å; F85-R100 HydrophobicContact CG-CG 4.38Å; F85-S101 WeakPolarHBondContact CA-OG 3.34Å; F85-S101 WeakPolarHBondContact CB-OG 3.47Å; F85-T103 HydrophobicContact CB-CG2 4.06Å
86	S	92.8	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.3	171.2	-54.7	0	0	0	0	111.8	E76 R100 S101	E76-S86 CarbonylContact O-C 3.4Å; E76-S86 WeakPolarHBondContact O-CA 3.33Å; E76-S86 WeakPolarHBondContact O-CB 3.33Å; S86-R100 WeakPolarHBondContact O-CA 3.41Å; S86-S101 PolarHBondContact N-OG 2.98Å; S86-S101 PolarHBondContact O-N 3.45Å; S86-S101 PolarHBondContact O-OG 2.75Å
87	W	95	Very high	94.3	Very high	29 Å²	29	33.9 Å²	33.9	11%	0.11	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.5	163.2	-88.3	103.4	0	0	0	109.8	S48 R52 A55 I75 E76 F85 E98 A99 R100	S48-W87 PolarHBondContact O-NE1 2.87Å; S48-W87 VanDerWaalsContact O-NE1 3.12Å; S48-W87 PolarHBondContact OG-NE1 2.76Å; R52-W87 HydrophobicContact CB-CD2 3.89Å; R52-W87 HydrophobicContact CB-CG 3.78Å; R52-W87 HydrophobicContact CG-CD2 3.79Å; R52-W87 HydrophobicContact CG-CE3 4.03Å; R52-W87 HydrophobicContact CG-CG 4.07Å; R52-W87 HydrophobicContact CG-CZ2 4.45Å; R52-W87 HydrophobicContact CG-CZ3 4.47Å; A55-W87 HydrophobicContact CB-CB 4.17Å; I75-W87 CarbonylContact C-O 3.55Å; I75-W87 WeakPolarHBondContact CA-O 3.23Å; E76-W87 PolarHBondContact N-O 2.92Å; E76-W87 PolarHBondContact O-N 3.22Å; F85-W87 AromaticContact CE2-CD1 3.62Å; F85-W87 AromaticContact CE2-NE1 3.81Å; W87-E98 HydrophobicContact CE3-CB 4.32Å; W87-E98 HydrophobicContact CZ3-CB 3.98Å; W87-A99 VanDerWaalsContact CE3-O 3.24Å; W87-A99 VanDerWaalsContact CZ3-C 3.45Å; W87-R100 HydrophobicContact CD2-CB 4.11Å; W87-R100 HydrophobicContact CD2-CG 4.45Å; W87-R100 HydrophobicContact CE3-CB 4.26Å; W87-R100 HydrophobicContact CH2-CB 4Å; W87-R100 HydrophobicContact CZ2-CB 3.84Å; W87-R100 HydrophobicContact CZ2-CG 4.33Å; W87-R100 HydrophobicContact CZ3-CB 4.21Å
88	V	96	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129	170.2	-176.7	0	0	0	0	107.9	A74 I75 I90 E98 A99 V147 L148 L151	A74-V88 WeakPolarHBondContact O-CA 3.48Å; I75-V88 HydrophobicContact CG1-CG1 4.42Å; I75-V88 HydrophobicContact CG1-CG2 4.18Å; I75-V88 HydrophobicContact CG2-CG2 4.3Å; V88-I90 HydrophobicContact CG1-CD1 4.49Å; V88-I90 HydrophobicContact CG1-CG1 4.26Å; V88-E98 WeakPolarHBondContact O-CA 3.48Å; V88-A99 PolarHBondContact N-O 3.2Å; V88-A99 PolarHBondContact O-N 3.4Å; V88-V147 HydrophobicContact CB-CG2 4.18Å; V88-V147 HydrophobicContact CG2-CG2 3.62Å; V88-L148 HydrophobicContact CG1-CD2 3.45Å; V88-L148 VanDerWaalsContact CG1-CD2 3.45Å; V88-L148 HydrophobicContact CG1-CG 4.25Å; V88-L151 HydrophobicContact CB-CD2 4.08Å; V88-L151 HydrophobicContact CG1-CD2 3.6Å
89	V	96.9	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.1	172.6	-178.3	0	0	0	0	107.7	A55 R56 V59 V73 A74 R96 G97 E98	A55-V89 HydrophobicContact CB-CB 4.34Å; A55-V89 HydrophobicContact CB-CG2 3.58Å; R56-V89 HydrophobicContact CG-CG2 4.13Å; V59-V89 HydrophobicContact CB-CG1 4.33Å; V59-V89 HydrophobicContact CG2-CB 3.92Å; V59-V89 HydrophobicContact CG2-CG1 3.82Å; V73-V89 WeakPolarHBondContact CA-O 3.29Å; A74-V89 PolarHBondContact N-O 2.9Å; A74-V89 PolarHBondContact O-N 3.25Å; V89-R96 HydrophobicContact CG1-CG 3.94Å; V89-G97 WeakPolarHBondContact CA-O 3.47Å; V89-E98 HydrophobicContact CG1-CG 4.25Å; V89-E98 HydrophobicContact CG2-CG 4.13Å
90	I	97.1	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.9	172.9	-62.7	171.4	0	0	0	107.3	F71 W72 V73 V88 R96 G97 L148 L151 L152 V155	F71-I90 HydrophobicContact CD1-CG2 4.24Å; W72-I90 CarbonylContact O-C 3.56Å; W72-I90 WeakPolarHBondContact O-CA 3.37Å; V73-I90 HydrophobicContact CB-CG1 4.39Å; V73-I90 HydrophobicContact CG1-CG1 3.78Å; V73-I90 HydrophobicContact CG2-CG1 4.05Å; V73-I90 HydrophobicContact CG2-CG2 4.28Å; V88-I90 HydrophobicContact CG1-CD1 4.49Å; V88-I90 HydrophobicContact CG1-CG1 4.26Å; I90-R96 CarbonylContact O-C 3.57Å; I90-R96 WeakPolarHBondContact O-CA 3.45Å; I90-G97 PolarHBondContact N-O 3.14Å; I90-G97 PolarHBondContact O-N 3.12Å; I90-L148 HydrophobicContact CD1-CD2 4.25Å; I90-L151 HydrophobicContact CB-CD2 4.05Å; I90-L151 HydrophobicContact CD1-CB 4.15Å; I90-L151 HydrophobicContact CD1-CD2 3.76Å; I90-L151 HydrophobicContact CD1-CG 4.2Å; I90-L151 HydrophobicContact CG1-CD2 3.73Å; I90-L152 HydrophobicContact CD1-CB 4.07Å; I90-L152 HydrophobicContact CD1-CD1 4.46Å; I90-L152 HydrophobicContact CG2-CD1 4.36Å; I90-V155 HydrophobicContact CB-CG2 4.09Å; I90-V155 HydrophobicContact CG2-CB 4.29Å; I90-V155 HydrophobicContact CG2-CG1 4.17Å; I90-V155 HydrophobicContact CG2-CG2 4.04Å
91	E	97.4	Very high	94.4	Very high	12 Å²	12	37 Å²	37	6%	0.056	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.6	168.4	-78.3	-174.6	-168.2	0	0	110.6	V59 R63 F71 W72 Q95 R96	V59-E91 HydrophobicContact CG1-CB 3.88Å; V59-E91 VanDerWaalsContact CG1-CD 3.43Å; V59-E91 HydrophobicContact CG1-CG 3.65Å; R63-E91 IonicContact NH1-OE2 3.7Å; R63-E91 PolarHBondContact NH1-OE2 2.82Å; F71-E91 CarbonylContact C-O 3.52Å; F71-E91 VanDerWaalsContact CA-O 3.23Å; F71-E91 WeakPolarHBondContact CA-O 3.42Å; W72-E91 HydrophobicContact CE3-CB 4.19Å; W72-E91 PolarHBondContact N-O 2.81Å; W72-E91 PolarHBondContact O-N 2.71Å; E91-Q95 WeakPolarHBondContact CA-O 3.39Å; E91-R96 HydrophobicContact CG-CB 3.85Å; E91-R96 HydrophobicContact CG-CG 3.73Å; E91-R96 IonicContact OE1-CZ 3.17Å; E91-R96 IonicContact OE1-NE 2.74Å; E91-R96 PolarHBondContact OE1-NE 2.86Å; E91-R96 IonicContact OE1-NH2 3.38Å; E91-R96 PolarHBondContact OE1-NH2 2.97Å
92	N	95.9	Very high	94.2	Very high	21 Å²	21	38.1 Å²	38.1	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-167.3	153.8	72.1	20.6	0	0	0	109.3	R63 D70 F71 T94 Q95 V155	R63-N92 PolarHBondContact NH1-O 3.26Å; D70-N92 WeakPolarHBondContact O-CA 2.93Å; D70-N92 WeakPolarHBondContact O-CB 2.93Å; F71-N92 HydrophobicContact CD1-CB 3.84Å; F71-N92 HydrophobicContact CE1-CB 3.75Å; N92-T94 PolarHBondContact O-N 3.4Å; N92-T94 PolarHBondContact OD1-N 3.08Å; N92-T94 PolarHBondContact OD1-OG1 3.09Å; N92-Q95 PolarHBondContact N-O 3.41Å; N92-Q95 PolarHBondContact OD1-N 3.33Å; N92-Q95 PolarHBondContact OD1-O 2.98Å; N92-V155 HydrophobicContact CB-CG1 3.89Å; N92-V155 PolarHBondContact ND2-O 3.03Å
93	T	93.3	Very high	93.9	Very high	88 Å²	88	37.3 Å²	37.3	54%	0.54	21%	0.206	S	C	.	.	S	Bend	trans	-60.4	-26.1	-178.7	53.7	0	0	0	0	114.2	R63 W72	R63-T93 PolarHBondContact NH2-O 2.99Å; R63-T93 VanDerWaalsContact NH2-O 3.11Å; W72-T93 HydrophobicContact CH2-CG2 4.46Å
94	T	93.7	Very high	93.7	Very high	116 Å²	116	40.5 Å²	40.5	71%	0.712	22%	0.221	S	C	*	.	S	Bend	trans	-125.2	-20.9	-170	59.4	0	0	0	0	115.2	N92	N92-T94 PolarHBondContact O-N 3.4Å; N92-T94 PolarHBondContact OD1-N 3.08Å; N92-T94 PolarHBondContact OD1-OG1 3.09Å
95	Q	95.5	Very high	93.6	Very high	70 Å²	70	44.9 Å²	44.9	33%	0.327	25%	0.249	S	C	.	.			trans	-134.4	154.5	-170.2	-66	-173.4	-0.1	0	0	111.8	E91 N92 V155	E91-Q95 WeakPolarHBondContact CA-O 3.39Å; N92-Q95 PolarHBondContact N-O 3.41Å; N92-Q95 PolarHBondContact OD1-N 3.33Å; N92-Q95 PolarHBondContact OD1-O 2.98Å; Q95-V155 PolarHBondContact OE1-O 2.66Å; Q95-V155 VanDerWaalsContact OE1-O 3.09Å
96	R	96.1	Very high	93.4	Very high	117 Å²	117	45.6 Å²	45.6	44%	0.442	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.9	172.5	-175.1	-172.9	-66.5	174.2	-2.5	110	V89 I90 E91 E98	V89-R96 HydrophobicContact CG1-CG 3.94Å; I90-R96 CarbonylContact O-C 3.57Å; I90-R96 WeakPolarHBondContact O-CA 3.45Å; E91-R96 HydrophobicContact CG-CB 3.85Å; E91-R96 HydrophobicContact CG-CG 3.73Å; E91-R96 IonicContact OE1-CZ 3.17Å; E91-R96 IonicContact OE1-NE 2.74Å; E91-R96 PolarHBondContact OE1-NE 2.86Å; E91-R96 IonicContact OE1-NH2 3.38Å; E91-R96 PolarHBondContact OE1-NH2 2.97Å; R96-E98 WeakPolarHBondContact CD-OE1 3.44Å; R96-E98 HydrophobicContact CG-CG 3.97Å; R96-E98 IonicContact NE-OE1 3.04Å; R96-E98 IonicContact NH1-OE1 2.71Å; R96-E98 PolarHBondContact NH1-OE1 3.3Å
97	G	96	Very high	93.3	Very high	8 Å²	8	48.3 Å²	48.3	8%	0.082	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.1	166.4	0	0	0	0	0	109.8	V89 I90 V155	V89-G97 WeakPolarHBondContact CA-O 3.47Å; I90-G97 PolarHBondContact N-O 3.14Å; I90-G97 PolarHBondContact O-N 3.12Å; G97-V155 VanDerWaalsContact CA-CG2 3.49Å
98	E	96.4	Very high	93.2	Very high	42 Å²	42	50.7 Å²	50.7	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.3	174.4	-51.9	-178.1	179.6	0	0	110.6	R52 R56 W87 V88 V89 R96 L151	R52-E98 WeakPolarHBondContact CD-OE2 3.45Å; R56-E98 IonicContact CZ-OE1 3.34Å; R56-E98 VanDerWaalsContact CZ-OE1 3.28Å; R56-E98 IonicContact CZ-OE2 3.51Å; R56-E98 VanDerWaalsContact NE-CD 3.32Å; R56-E98 IonicContact NE-OE1 3.25Å; R56-E98 PolarHBondContact NE-OE1 3.38Å; R56-E98 IonicContact NE-OE2 3.65Å; R56-E98 PolarHBondContact NE-OE2 3.32Å; R56-E98 VanDerWaalsContact NH2-CD 3.27Å; R56-E98 IonicContact NH2-OE1 2.68Å; R56-E98 PolarHBondContact NH2-OE1 2.89Å; R56-E98 IonicContact NH2-OE2 3.17Å; R56-E98 PolarHBondContact NH2-OE2 3.44Å; W87-E98 HydrophobicContact CE3-CB 4.32Å; W87-E98 HydrophobicContact CZ3-CB 3.98Å; V88-E98 WeakPolarHBondContact O-CA 3.48Å; V89-E98 HydrophobicContact CG1-CG 4.25Å; V89-E98 HydrophobicContact CG2-CG 4.13Å; R96-E98 WeakPolarHBondContact CD-OE1 3.44Å; R96-E98 HydrophobicContact CG-CG 3.97Å; R96-E98 IonicContact NE-OE1 3.04Å; R96-E98 IonicContact NH1-OE1 2.71Å; R96-E98 PolarHBondContact NH1-OE1 3.3Å; E98-L151 VanDerWaalsContact N-CD1 3.32Å; E98-L151 WeakPolarHBondContact O-CD1 3.45Å
99	A	94.9	Very high	93.1	Very high	17 Å²	17	54 Å²	54	14%	0.14	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.7	175.9	0	0	0	0	0	110.8	W87 V88 V147 L151	W87-A99 VanDerWaalsContact CE3-O 3.24Å; W87-A99 VanDerWaalsContact CZ3-C 3.45Å; V88-A99 PolarHBondContact N-O 3.2Å; V88-A99 PolarHBondContact O-N 3.4Å; A99-V147 HydrophobicContact CB-CB 3.93Å; A99-V147 HydrophobicContact CB-CG1 4.47Å; A99-V147 HydrophobicContact CB-CG2 3.93Å; A99-L151 HydrophobicContact CB-CD1 3.57Å; A99-L151 HydrophobicContact CB-CG 4.47Å
100	R	93.3	Very high	92.8	Very high	81 Å²	81	54.1 Å²	54.1	31%	0.306	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.8	169.3	-166.4	-174.6	178.5	176.2	7.3	108.4	D80 F85 S86 W87	D80-R100 IonicContact OD2-CZ 3.57Å; D80-R100 IonicContact OD2-NH1 3.46Å; D80-R100 PolarHBondContact OD2-NH1 3.49Å; D80-R100 IonicContact OD2-NH2 2.82Å; D80-R100 PolarHBondContact OD2-NH2 2.91Å; F85-R100 HydrophobicContact CD2-CG 3.63Å; F85-R100 VanDerWaalsContact CE1-NH2 3.32Å; F85-R100 HydrophobicContact CE2-CG 4.28Å; F85-R100 HydrophobicContact CG-CG 4.38Å; S86-R100 WeakPolarHBondContact O-CA 3.41Å; W87-R100 HydrophobicContact CD2-CB 4.11Å; W87-R100 HydrophobicContact CD2-CG 4.45Å; W87-R100 HydrophobicContact CE3-CB 4.26Å; W87-R100 HydrophobicContact CH2-CB 4Å; W87-R100 HydrophobicContact CZ2-CB 3.84Å; W87-R100 HydrophobicContact CZ2-CG 4.33Å; W87-R100 HydrophobicContact CZ3-CB 4.21Å
101	S	90.4	Very high	92.5	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.063	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-64.2	171.6	170.7	68.2	0	0	0	0	113	F85 S86 P143	F85-S101 WeakPolarHBondContact CA-OG 3.34Å; F85-S101 WeakPolarHBondContact CB-OG 3.47Å; S86-S101 PolarHBondContact N-OG 2.98Å; S86-S101 PolarHBondContact O-N 3.45Å; S86-S101 PolarHBondContact O-OG 2.75Å; S101-P143 VanDerWaalsContact CB-CB 3.44Å; S101-P143 WeakPolarHBondContact CB-O 3.46Å; S101-P143 VanDerWaalsContact OG-CB 3.25Å; S101-P143 WeakPolarHBondContact OG-CB 3.49Å
102	A	87.5	Confident	92.4	Very high	75 Å²	75	59.2 Å²	59.2	62%	0.62	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-55	153.7	156.2	0	0	0	0	0	111.3	P143	A102-P143 WeakPolarHBondContact O-CB 3.42Å
103	T	88.9	Confident	92.3	Very high	76 Å²	76	61.5 Å²	61.5	47%	0.466	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-94.9	141.1	175.9	50.9	0	0	0	0	110.3	T84 F85	T84-T103 WeakPolarHBondContact O-CA 3.29Å; F85-T103 HydrophobicContact CB-CG2 4.06Å
104	L	86.5	Confident	92.2	Very high	89 Å²	89	57.3 Å²	57.3	47%	0.466	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111	171.5	175.1	65.7	0	0	0	108.7	S83 T84 L106	S83-L104 CarbonylContact C-O 3.3Å; S83-L104 VanDerWaalsContact CA-O 3.25Å; S83-L104 WeakPolarHBondContact CA-O 3.28Å; S83-L104 WeakPolarHBondContact CB-O 3.41Å; T84-L104 HydrophobicContact CG2-CB 3.84Å; T84-L104 HydrophobicContact CG2-CD2 4.12Å; T84-L104 HydrophobicContact CG2-CG 4.29Å; T84-L104 PolarHBondContact N-O 3.41Å; T84-L104 PolarHBondContact O-N 3.16Å; L104-L106 PolarHBondContact O-N 2.97Å
105	P	89.9	Confident	92.1	Very high	92 Å²	92	58.9 Å²	58.9	60%	0.597	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	133.4	171.5	-23.4	34	0	0	0	110.9	S83	S83-P105 WeakPolarHBondContact OG-CA 3.19Å
106	L	88.5	Confident	92	Very high	16 Å²	16	61.1 Å²	61.1	8%	0.084	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-99.2	142.4	178.6	-68.2	175.5	0	0	0	110.4	I79 D82 T84 L104 L111 L120 M124	I79-L106 HydrophobicContact CD1-CD1 4.16Å; I79-L106 HydrophobicContact CG1-CD1 4.31Å; D82-L106 PolarHBondContact O-N 3.3Å; T84-L106 HydrophobicContact CG2-CD1 4.43Å; T84-L106 HydrophobicContact CG2-CD2 3.92Å; T84-L106 HydrophobicContact CG2-CG 4.2Å; L104-L106 PolarHBondContact O-N 2.97Å; L106-L111 HydrophobicContact CB-CD1 4.19Å; L106-L111 HydrophobicContact CB-CD2 3.88Å; L106-L111 HydrophobicContact CB-CG 3.73Å; L106-L111 HydrophobicContact CD1-CD2 3.82Å; L106-L111 HydrophobicContact CD1-CG 4.47Å; L106-L111 HydrophobicContact CG-CD2 4.45Å; L106-L111 WeakPolarHBondContact O-CD1 3.39Å; L106-L120 HydrophobicContact CD1-CD1 3.79Å; L106-L120 HydrophobicContact CD1-CD2 4.09Å; L106-L120 HydrophobicContact CD2-CD1 4.08Å; L106-L120 HydrophobicContact CD2-CD2 4.47Å; L106-M124 HydrophobicContact CD2-SD 4.44Å
107	P	90.3	Very high	91.7	Very high	57 Å²	57	58.8 Å²	58.8	37%	0.37	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-56.5	143.1	170.2	-23.2	32.6	0	0	0	111.7	V109 I110 L111	P107-V109 HydrophobicContact CB-CG1 4.12Å; P107-V109 PolarHBondContact O-N 3.12Å; P107-I110 HydrophobicContact CB-CD1 4.48Å; P107-I110 HydrophobicContact CB-CG1 4.24Å; P107-I110 HydrophobicContact CG-CD1 4.04Å; P107-I110 HydrophobicContact CG-CG1 4.34Å; P107-I110 WeakPolarHBondContact O-CB 3.34Å; P107-I110 PolarHBondContact O-N 3.12Å; P107-L111 PolarHBondContact O-N 3.32Å; P107-L111 VanDerWaalsContact O-N 3.07Å
108	A	93.4	Very high	91.4	Very high	79 Å²	79	61.3 Å²	61.3	65%	0.653	35%	0.35	S	S	*	.	H	α-helix	trans	-54.2	-39.4	-178.6	0	0	0	0	0	113.2	I110 L111 E112	A108-I110 VanDerWaalsContact C-N 3.25Å; A108-I110 PolarHBondContact O-N 2.68Å; A108-L111 PolarHBondContact O-N 3.05Å; A108-E112 PolarHBondContact O-N 3.38Å
109	V	92.6	Very high	91	Very high	70 Å²	70	60.7 Å²	60.7	42%	0.424	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-30.7	177.1	65	0	0	0	0	113.3	P107 K113 Y127	P107-V109 HydrophobicContact CB-CG1 4.12Å; P107-V109 PolarHBondContact O-N 3.12Å; V109-K113 WeakPolarHBondContact O-CG 3.5Å; V109-Y127 HydrophobicContact CG1-CD2 4.14Å; V109-Y127 HydrophobicContact CG1-CE2 3.55Å
110	I	91.3	Very high	90.6	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-78.8	-44.3	176.2	-61.2	-168.9	0	0	0	109.6	P107 A108 E112 K113 V114 L120 V123 M124 Y127	P107-I110 HydrophobicContact CB-CD1 4.48Å; P107-I110 HydrophobicContact CB-CG1 4.24Å; P107-I110 HydrophobicContact CG-CD1 4.04Å; P107-I110 HydrophobicContact CG-CG1 4.34Å; P107-I110 WeakPolarHBondContact O-CB 3.34Å; P107-I110 PolarHBondContact O-N 3.12Å; A108-I110 VanDerWaalsContact C-N 3.25Å; A108-I110 PolarHBondContact O-N 2.68Å; I110-E112 VanDerWaalsContact C-N 3.29Å; I110-E112 PolarHBondContact O-N 3.5Å; I110-K113 PolarHBondContact O-N 3.34Å; I110-V114 HydrophobicContact CG2-CG2 4.43Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 3.48Å; I110-L120 HydrophobicContact CG2-CD1 3.52Å; I110-V123 HydrophobicContact CB-CG1 4.26Å; I110-V123 HydrophobicContact CG1-CG1 4.39Å; I110-V123 HydrophobicContact CG2-CG1 3.8Å; I110-M124 HydrophobicContact CD1-SD 3.35Å; I110-M124 WeakPolarHBondContact CD1-SD 3.36Å; I110-M124 HydrophobicContact CG2-SD 4.15Å; I110-Y127 HydrophobicContact CD1-CD1 3.79Å; I110-Y127 HydrophobicContact CD1-CE1 4.31Å; I110-Y127 HydrophobicContact CD1-CG 3.91Å; I110-Y127 HydrophobicContact CG1-CD1 4.47Å; I110-Y127 HydrophobicContact CG1-CD2 4.37Å; I110-Y127 HydrophobicContact CG1-CG 4.2Å
111	L	91.3	Very high	90.2	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-38.8	177.8	-73.3	167.2	0	0	0	112.5	I79 D82 L106 P107 A108 V114 R115	I79-L111 HydrophobicContact CG2-CD2 4.32Å; D82-L111 HydrophobicContact CB-CD1 3.57Å; L106-L111 HydrophobicContact CB-CD1 4.19Å; L106-L111 HydrophobicContact CB-CD2 3.88Å; L106-L111 HydrophobicContact CB-CG 3.73Å; L106-L111 HydrophobicContact CD1-CD2 3.82Å; L106-L111 HydrophobicContact CD1-CG 4.47Å; L106-L111 HydrophobicContact CG-CD2 4.45Å; L106-L111 WeakPolarHBondContact O-CD1 3.39Å; P107-L111 PolarHBondContact O-N 3.32Å; P107-L111 VanDerWaalsContact O-N 3.07Å; A108-L111 PolarHBondContact O-N 3.05Å; L111-V114 PolarHBondContact O-N 2.91Å; L111-R115 WeakPolarHBondContact O-CB 3.28Å; L111-R115 WeakPolarHBondContact O-CG 3.41Å; L111-R115 PolarHBondContact O-N 2.66Å
112	E	94.2	Very high	90.1	Very high	111 Å²	111	58.8 Å²	58.8	52%	0.519	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-50.2	176.9	-172.7	173.7	-160.8	0	0	111	A108 I110 V114 R115 E116	A108-E112 PolarHBondContact O-N 3.38Å; I110-E112 VanDerWaalsContact C-N 3.29Å; I110-E112 PolarHBondContact O-N 3.5Å; E112-V114 VanDerWaalsContact C-N 3.34Å; E112-V114 PolarHBondContact O-N 3.44Å; E112-R115 PolarHBondContact O-N 3.36Å; E112-E116 WeakPolarHBondContact O-CG 3.21Å; E112-E116 PolarHBondContact O-N 2.92Å
113	K	93.6	Very high	90.1	Very high	69 Å²	69	55.5 Å²	55.5	30%	0.3	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-39.8	177.8	-63.9	-70.6	144.2	-143.1	0	112.8	V109 I110 E116 E118 V123	V109-K113 WeakPolarHBondContact O-CG 3.5Å; I110-K113 PolarHBondContact O-N 3.34Å; K113-E116 IonicContact NZ-OE1 3.73Å; K113-E116 PolarHBondContact NZ-OE1 3.34Å; K113-E116 IonicContact NZ-OE2 3.43Å; K113-E116 PolarHBondContact NZ-OE2 3.38Å; K113-E116 WeakPolarHBondContact O-CB 3.4Å; K113-E116 PolarHBondContact O-N 3.36Å; K113-E118 WeakPolarHBondContact CD-OE1 3.42Å; K113-E118 WeakPolarHBondContact O-CB 3.13Å; K113-E118 PolarHBondContact O-N 3.27Å; K113-V123 HydrophobicContact CB-CB 4.47Å; K113-V123 HydrophobicContact CB-CG1 3.78Å; K113-V123 HydrophobicContact CB-CG2 3.76Å; K113-V123 HydrophobicContact CG-CG1 4.24Å
114	V	91.9	Very high	90	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-70.9	-35.8	178.4	-179.1	0	0	0	0	111.8	Q44 F46 I79 I110 L111 E112 E116 G117 E118 L120 V123	Q44-V114 HydrophobicContact CG-CG1 3.97Å; F46-V114 HydrophobicContact CE1-CG1 4.31Å; F46-V114 HydrophobicContact CZ-CG1 3.74Å; I79-V114 HydrophobicContact CD1-CB 4.07Å; I79-V114 HydrophobicContact CD1-CG1 3.25Å; I79-V114 HydrophobicContact CD1-CG2 4.35Å; I110-V114 HydrophobicContact CG2-CG2 4.43Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 3.48Å; L111-V114 PolarHBondContact O-N 2.91Å; E112-V114 VanDerWaalsContact C-N 3.34Å; E112-V114 PolarHBondContact O-N 3.44Å; V114-E116 VanDerWaalsContact C-N 3.26Å; V114-E116 PolarHBondContact O-N 3.03Å; V114-G117 WeakPolarHBondContact O-CA 3.39Å; V114-G117 PolarHBondContact O-N 3.29Å; V114-E118 WeakPolarHBondContact CA-O 3.33Å; V114-E118 WeakPolarHBondContact CG1-O 3.41Å; V114-L120 HydrophobicContact CG2-CB 4.17Å; V114-L120 HydrophobicContact CG2-CD1 3.98Å; V114-V123 HydrophobicContact CG2-CB 4.48Å; V114-V123 HydrophobicContact CG2-CG2 4.18Å
115	R	91	Very high	89.9	Confident	149 Å²	149	50 Å²	50	56%	0.562	29%	0.292	S	S	*	.	H	α-helix	trans	-67.1	-26.2	173	-74.3	171.9	179.9	163.1	5.6	112.8	G81 D82 L111 E112 G117	G81-R115 PolarHBondContact O-NH2 2.84Å; D82-R115 IonicContact OD1-CZ 2.93Å; D82-R115 IonicContact OD1-NH2 2.66Å; D82-R115 PolarHBondContact OD1-NH2 3.09Å; L111-R115 WeakPolarHBondContact O-CB 3.28Å; L111-R115 WeakPolarHBondContact O-CG 3.41Å; L111-R115 PolarHBondContact O-N 2.66Å; E112-R115 PolarHBondContact O-N 3.36Å; R115-G117 PolarHBondContact O-N 3.31Å
116	E	93.4	Very high	89.8	Confident	117 Å²	117	52.4 Å²	52.4	55%	0.547	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-2.8	169.6	-70.3	169.7	171.9	0	0	113.2	E112 K113 V114	E112-E116 WeakPolarHBondContact O-CG 3.21Å; E112-E116 PolarHBondContact O-N 2.92Å; K113-E116 IonicContact NZ-OE1 3.73Å; K113-E116 PolarHBondContact NZ-OE1 3.34Å; K113-E116 IonicContact NZ-OE2 3.43Å; K113-E116 PolarHBondContact NZ-OE2 3.38Å; K113-E116 WeakPolarHBondContact O-CB 3.4Å; K113-E116 PolarHBondContact O-N 3.36Å; V114-E116 VanDerWaalsContact C-N 3.26Å; V114-E116 PolarHBondContact O-N 3.03Å
117	G	90.2	Very high	89.6	Confident	67 Å²	67	58.2 Å²	58.2	69%	0.691	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	5	175.3	0	0	0	0	0	114.6	V114 R115	V114-G117 WeakPolarHBondContact O-CA 3.39Å; V114-G117 PolarHBondContact O-N 3.29Å; R115-G117 PolarHBondContact O-N 3.31Å
118	E	90.7	Very high	89.2	Confident	61 Å²	61	58.2 Å²	58.2	29%	0.285	31%	0.31	S	S	.	.			trans	-77.4	141.8	175.3	-59.8	-160.8	-107.4	0	0	112.1	K113 V114 V123 R126	K113-E118 WeakPolarHBondContact CD-OE1 3.42Å; K113-E118 WeakPolarHBondContact O-CB 3.13Å; K113-E118 PolarHBondContact O-N 3.27Å; V114-E118 WeakPolarHBondContact CA-O 3.33Å; V114-E118 WeakPolarHBondContact CG1-O 3.41Å; E118-V123 HydrophobicContact CB-CG2 3.59Å; E118-R126 IonicContact OE1-NH2 2.7Å; E118-R126 PolarHBondContact OE1-NH2 2.85Å; E118-R126 IonicContact OE2-CZ 2.66Å; E118-R126 IonicContact OE2-NH1 3.03Å; E118-R126 PolarHBondContact OE2-NH1 2.94Å; E118-R126 IonicContact OE2-NH2 2.84Å; E118-R126 PolarHBondContact OE2-NH2 3.09Å
119	A	86.9	Confident	88.7	Confident	29 Å²	29	57.6 Å²	57.6	24%	0.24	31%	0.311	C	S	.	.			trans	-67	142.2	173.1	0	0	0	0	0	111.2	G121 P122 V123	A119-G121 VanDerWaalsContact C-N 3.34Å; A119-G121 PolarHBondContact O-N 3.25Å; A119-P122 HydrophobicContact CB-CG 4.19Å; A119-P122 VanDerWaalsContact O-CD 3.29Å; A119-P122 WeakPolarHBondContact O-CD 3.37Å; A119-V123 WeakPolarHBondContact O-CG2 3.44Å; A119-V123 PolarHBondContact O-N 2.62Å
120	L	87.9	Confident	87.8	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-40.1	-175.6	177.7	61	0	0	0	113.3	Q44 I79 T84 L106 I110 V114 V123 M124 P135	Q44-L120 VanDerWaalsContact OE1-CB 3.25Å; I79-L120 HydrophobicContact CD1-CD2 4.46Å; T84-L120 HydrophobicContact CG2-CD2 4.13Å; L106-L120 HydrophobicContact CD1-CD1 3.79Å; L106-L120 HydrophobicContact CD1-CD2 4.09Å; L106-L120 HydrophobicContact CD2-CD1 4.08Å; L106-L120 HydrophobicContact CD2-CD2 4.47Å; I110-L120 HydrophobicContact CG2-CD1 3.52Å; V114-L120 HydrophobicContact CG2-CB 4.17Å; V114-L120 HydrophobicContact CG2-CD1 3.98Å; L120-V123 PolarHBondContact O-N 2.91Å; L120-M124 HydrophobicContact CD1-CG 3.68Å; L120-M124 HydrophobicContact CD1-SD 4.17Å; L120-M124 HydrophobicContact CG-CG 3.98Å; L120-M124 WeakPolarHBondContact O-CB 3.43Å; L120-M124 WeakPolarHBondContact O-CG 3.34Å; L120-M124 PolarHBondContact O-N 2.7Å; L120-P135 HydrophobicContact CD2-CG 3.47Å; L120-P135 VanDerWaalsContact CD2-CG 3.47Å; L120-P135 HydrophobicContact CG-CG 4.32Å
121	G	84.9	Confident	86.8	Confident	13 Å²	13	64.6 Å²	64.6	13%	0.134	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-55.9	-179	0	0	0	0	0	113.4	A119 V123 M124 S125 I133	A119-G121 VanDerWaalsContact C-N 3.34Å; A119-G121 PolarHBondContact O-N 3.25Å; G121-V123 VanDerWaalsContact C-N 3.32Å; G121-V123 PolarHBondContact O-N 2.96Å; G121-M124 PolarHBondContact O-N 3.04Å; G121-S125 PolarHBondContact O-N 3.34Å; G121-S125 PolarHBondContact O-OG 3.3Å; G121-I133 VanDerWaalsContact O-O 3.1Å
122	P	86.3	Confident	85.5	Confident	53 Å²	53	68.4 Å²	68.4	34%	0.344	36%	0.363	S	S	.	.	H	α-helix	trans	-54.8	-42.1	173.3	-29.9	35.4	0	0	0	114.2	A119 S125 R126	A119-P122 HydrophobicContact CB-CG 4.19Å; A119-P122 VanDerWaalsContact O-CD 3.29Å; A119-P122 WeakPolarHBondContact O-CD 3.37Å; P122-S125 PolarHBondContact O-N 2.92Å; P122-R126 WeakPolarHBondContact O-CG 3.38Å; P122-R126 PolarHBondContact O-N 3.33Å
123	V	89.5	Confident	84.1	Confident	7 Å²	7	64 Å²	64	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-47.2	177.9	178.1	0	0	0	0	110.8	I110 K113 V114 E118 A119 L120 G121 S125 R126 Y127	I110-V123 HydrophobicContact CB-CG1 4.26Å; I110-V123 HydrophobicContact CG1-CG1 4.39Å; I110-V123 HydrophobicContact CG2-CG1 3.8Å; K113-V123 HydrophobicContact CB-CB 4.47Å; K113-V123 HydrophobicContact CB-CG1 3.78Å; K113-V123 HydrophobicContact CB-CG2 3.76Å; K113-V123 HydrophobicContact CG-CG1 4.24Å; V114-V123 HydrophobicContact CG2-CB 4.48Å; V114-V123 HydrophobicContact CG2-CG2 4.18Å; E118-V123 HydrophobicContact CB-CG2 3.59Å; A119-V123 WeakPolarHBondContact O-CG2 3.44Å; A119-V123 PolarHBondContact O-N 2.62Å; L120-V123 PolarHBondContact O-N 2.91Å; G121-V123 VanDerWaalsContact C-N 3.32Å; G121-V123 PolarHBondContact O-N 2.96Å; V123-S125 VanDerWaalsContact C-N 3.32Å; V123-S125 PolarHBondContact O-N 3.4Å; V123-R126 PolarHBondContact O-N 3.34Å; V123-Y127 WeakPolarHBondContact O-CB 3.44Å; V123-Y127 PolarHBondContact O-N 3.33Å
124	M	84.9	Confident	82.4	Confident	33 Å²	33	60.8 Å²	60.8	16%	0.163	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-43.3	176.8	-72.2	-68.8	-60.8	0	0	111.4	L106 I110 L120 G121 R126 Y127 T128 I133	L106-M124 HydrophobicContact CD2-SD 4.44Å; I110-M124 HydrophobicContact CD1-SD 3.35Å; I110-M124 WeakPolarHBondContact CD1-SD 3.36Å; I110-M124 HydrophobicContact CG2-SD 4.15Å; L120-M124 HydrophobicContact CD1-CG 3.68Å; L120-M124 HydrophobicContact CD1-SD 4.17Å; L120-M124 HydrophobicContact CG-CG 3.98Å; L120-M124 WeakPolarHBondContact O-CB 3.43Å; L120-M124 WeakPolarHBondContact O-CG 3.34Å; L120-M124 PolarHBondContact O-N 2.7Å; G121-M124 PolarHBondContact O-N 3.04Å; M124-R126 PolarHBondContact O-N 3.25Å; M124-Y127 PolarHBondContact O-N 2.98Å; M124-T128 WeakPolarHBondContact O-CG2 3.13Å; M124-T128 PolarHBondContact O-N 3.41Å; M124-T128 PolarHBondContact O-OG1 2.85Å; M124-T128 VanDerWaalsContact O-OG1 3.07Å; M124-I133 VanDerWaalsContact C-CG2 3.46Å; M124-I133 HydrophobicContact CB-CG2 3.89Å
125	S	85.5	Confident	80.5	Confident	17 Å²	17	62 Å²	62	12%	0.119	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-44.7	-179.6	-55.8	0	0	0	0	111.7	G121 P122 V123 Y127 G129 I130 I133	G121-S125 PolarHBondContact O-N 3.34Å; G121-S125 PolarHBondContact O-OG 3.3Å; P122-S125 PolarHBondContact O-N 2.92Å; V123-S125 VanDerWaalsContact C-N 3.32Å; V123-S125 PolarHBondContact O-N 3.4Å; S125-Y127 VanDerWaalsContact C-N 3.33Å; S125-Y127 PolarHBondContact O-N 3.29Å; S125-G129 WeakPolarHBondContact O-CA 3.06Å; S125-G129 PolarHBondContact O-N 3.01Å; S125-I130 WeakPolarHBondContact CA-O 3.47Å; S125-I130 WeakPolarHBondContact CB-O 3.46Å; S125-I133 VanDerWaalsContact CA-CG2 3.42Å; S125-I133 PolarHBondContact OG-N 3.37Å; S125-I133 PolarHBondContact OG-O 3.22Å
126	R	88	Confident	78.6	Confident	141 Å²	141	55 Å²	55	53%	0.532	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-35.1	175.1	-66.9	-172.2	-49.4	-110	0.2	112.7	E118 P122 V123 M124	E118-R126 IonicContact OE1-NH2 2.7Å; E118-R126 PolarHBondContact OE1-NH2 2.85Å; E118-R126 IonicContact OE2-CZ 2.66Å; E118-R126 IonicContact OE2-NH1 3.03Å; E118-R126 PolarHBondContact OE2-NH1 2.94Å; E118-R126 IonicContact OE2-NH2 2.84Å; E118-R126 PolarHBondContact OE2-NH2 3.09Å; P122-R126 WeakPolarHBondContact O-CG 3.38Å; P122-R126 PolarHBondContact O-N 3.33Å; V123-R126 PolarHBondContact O-N 3.34Å; M124-R126 PolarHBondContact O-N 3.25Å
127	Y	85	Confident	76.8	Confident	138 Å²	138	53.8 Å²	53.8	54%	0.541	30%	0.301	S	S	.	.	H	α-helix	trans	-72.4	-39.2	-178.5	-174.1	-98.3	0	0	0	112.8	V109 I110 V123 M124 S125	V109-Y127 HydrophobicContact CG1-CD2 4.14Å; V109-Y127 HydrophobicContact CG1-CE2 3.55Å; I110-Y127 HydrophobicContact CD1-CD1 3.79Å; I110-Y127 HydrophobicContact CD1-CE1 4.31Å; I110-Y127 HydrophobicContact CD1-CG 3.91Å; I110-Y127 HydrophobicContact CG1-CD1 4.47Å; I110-Y127 HydrophobicContact CG1-CD2 4.37Å; I110-Y127 HydrophobicContact CG1-CG 4.2Å; V123-Y127 WeakPolarHBondContact O-CB 3.44Å; V123-Y127 PolarHBondContact O-N 3.33Å; M124-Y127 PolarHBondContact O-N 2.98Å; S125-Y127 VanDerWaalsContact C-N 3.33Å; S125-Y127 PolarHBondContact O-N 3.29Å
128	T	80.4	Confident	74.7	Confident	58 Å²	58	56.2 Å²	56.2	36%	0.356	30%	0.295	S	S	.	.	H	α-helix	trans	-94.3	-17.3	-177.8	65.2	0	0	0	0	113.5	M124 I130 I133	M124-T128 WeakPolarHBondContact O-CG2 3.13Å; M124-T128 PolarHBondContact O-N 3.41Å; M124-T128 PolarHBondContact O-OG1 2.85Å; M124-T128 VanDerWaalsContact O-OG1 3.07Å; T128-I130 PolarHBondContact O-N 2.99Å; T128-I130 PolarHBondContact OG1-N 3.32Å; T128-I133 HydrophobicContact CG2-CD1 4.15Å; T128-I133 VanDerWaalsContact OG1-CG2 3.28Å; T128-I133 WeakPolarHBondContact OG1-CG2 3.49Å
129	G	82.6	Confident	72.2	Confident	66 Å²	66	59 Å²	59	68%	0.68	31%	0.312	S	S	*	.	S	Bend	trans	72.6	10.7	-170.9	0	0	0	0	0	113.8	S125	S125-G129 WeakPolarHBondContact O-CA 3.06Å; S125-G129 PolarHBondContact O-N 3.01Å
130	I	74.6	Confident	70.6	Confident	80 Å²	80	59.8 Å²	59.8	41%	0.41	31%	0.313	S	S	.	.			trans	-100.9	116.5	177.9	-60.3	169.3	0	0	0	108	S125 T128 I133	S125-I130 WeakPolarHBondContact CA-O 3.47Å; S125-I130 WeakPolarHBondContact CB-O 3.46Å; T128-I130 PolarHBondContact O-N 2.99Å; T128-I130 PolarHBondContact OG1-N 3.32Å; I130-I133 HydrophobicContact CB-CB 4.05Å; I130-I133 HydrophobicContact CB-CD1 3.87Å; I130-I133 HydrophobicContact CB-CG1 4.49Å; I130-I133 HydrophobicContact CB-CG2 4.25Å; I130-I133 HydrophobicContact CD1-CD1 3.68Å; I130-I133 HydrophobicContact CG1-CD1 4.33Å; I130-I133 HydrophobicContact CG2-CB 3.99Å; I130-I133 HydrophobicContact CG2-CD1 4.08Å; I130-I133 HydrophobicContact CG2-CG1 4.38Å; I130-I133 WeakPolarHBondContact O-CB 3.35Å; I130-I133 WeakPolarHBondContact O-CG2 3.35Å
131	D	69.6	Low	68.7	Low	138 Å²	138	65.2 Å²	65.2	74%	0.738	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	142.7	174.4	-70.8	-36.9	0	0	0	110.9	I133	D131-I133 VanDerWaalsContact C-N 3.28Å; D131-I133 PolarHBondContact O-N 2.8Å
132	E	65.5	Low	67.4	Low	87 Å²	87	64.7 Å²	64.7	41%	0.407	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	38	-179.1	-52.2	-163.5	150	0	0	114.4	R137 Q138	E132-R137 HydrophobicContact CB-CB 4.43Å; E132-R137 WeakPolarHBondContact O-CB 3.46Å; E132-Q138 PolarHBondContact OE2-NE2 3.32Å; E132-Q138 VanDerWaalsContact OE2-NE2 3.11Å
133	I	63.8	Low	66.1	Low	20 Å²	20	63.5 Å²	63.5	10%	0.103	33%	0.333	C	S	.	.			trans	-96.2	139.5	171.8	-156.4	172.5	0	0	0	111.1	G121 M124 S125 T128 I130 D131 V140	G121-I133 VanDerWaalsContact O-O 3.1Å; M124-I133 VanDerWaalsContact C-CG2 3.46Å; M124-I133 HydrophobicContact CB-CG2 3.89Å; S125-I133 VanDerWaalsContact CA-CG2 3.42Å; S125-I133 PolarHBondContact OG-N 3.37Å; S125-I133 PolarHBondContact OG-O 3.22Å; T128-I133 HydrophobicContact CG2-CD1 4.15Å; T128-I133 VanDerWaalsContact OG1-CG2 3.28Å; T128-I133 WeakPolarHBondContact OG1-CG2 3.49Å; I130-I133 HydrophobicContact CB-CB 4.05Å; I130-I133 HydrophobicContact CB-CD1 3.87Å; I130-I133 HydrophobicContact CB-CG1 4.49Å; I130-I133 HydrophobicContact CB-CG2 4.25Å; I130-I133 HydrophobicContact CD1-CD1 3.68Å; I130-I133 HydrophobicContact CG1-CD1 4.33Å; I130-I133 HydrophobicContact CG2-CB 3.99Å; I130-I133 HydrophobicContact CG2-CD1 4.08Å; I130-I133 HydrophobicContact CG2-CG1 4.38Å; I130-I133 WeakPolarHBondContact O-CB 3.35Å; I130-I133 WeakPolarHBondContact O-CG2 3.35Å; D131-I133 VanDerWaalsContact C-N 3.28Å; D131-I133 PolarHBondContact O-N 2.8Å; I133-V140 HydrophobicContact CB-CG2 4.38Å; I133-V140 HydrophobicContact CD1-CG2 4.22Å; I133-V140 HydrophobicContact CG1-CG2 3.29Å
134	G	58.8	Low	64.6	Low	1 Å²	1	63.2 Å²	63.2	1%	0.01	33%	0.331	C	S	.	.	S	Bend	trans	148.2	162.5	178.1	0	0	0	0	0	112.2	G136 R137	G134-G136 PolarHBondContact O-N 2.85Å; G134-R137 PolarHBondContact O-N 3.01Å
135	P	52.3	Low	64	Low	27 Å²	27	63.4 Å²	63.4	18%	0.175	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	110.6	-179.6	21.6	-29.1	0	0	0	109.9	A77 T84 L120	A77-P135 HydrophobicContact CB-CB 4.35Å; T84-P135 HydrophobicContact CG2-CG 4.35Å; L120-P135 HydrophobicContact CD2-CG 3.47Å; L120-P135 VanDerWaalsContact CD2-CG 3.47Å; L120-P135 HydrophobicContact CG-CG 4.32Å
136	G	50	Low	63.5	Low	1 Å²	1	66.8 Å²	66.8	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.2	-7.6	177.4	0	0	0	0	0	113	N10 A12 G134 T142	N10-G136 PolarHBondContact ND2-O 2.99Å; N10-G136 PolarHBondContact OD1-O 3.44Å; A12-G136 WeakPolarHBondContact CB-O 3.45Å; G134-G136 PolarHBondContact O-N 2.85Å; G136-T142 VanDerWaalsContact N-CG2 3.35Å
137	R	55.2	Low	63	Low	91 Å²	91	61.3 Å²	61.3	34%	0.343	34%	0.344	S	S	.	.	S	Bend	trans	-94.9	161.2	178.1	-62.8	-160.4	167	-156.7	-2	112.3	E132 G134 N139 V140	E132-R137 HydrophobicContact CB-CB 4.43Å; E132-R137 WeakPolarHBondContact O-CB 3.46Å; G134-R137 PolarHBondContact O-N 3.01Å; R137-N139 PolarHBondContact O-N 2.79Å; R137-V140 PolarHBondContact O-N 3.38Å; R137-V140 VanDerWaalsContact O-N 3.07Å
138	Q	45.8	Very low	62.8	Low	118 Å²	118	54.8 Å²	54.8	55%	0.551	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-34.2	-163	-61.9	-169.4	49.7	0	0	115.4	P11 E132	P11-Q138 HydrophobicContact CB-CG 4.44Å; E132-Q138 PolarHBondContact OE2-NE2 3.32Å; E132-Q138 VanDerWaalsContact OE2-NE2 3.11Å
139	N	39.8	Very low	62.7	Low	121 Å²	121	53.2 Å²	53.2	65%	0.647	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	7.5	-172	-69.5	-28.6	0	0	0	115	R137	R137-N139 PolarHBondContact O-N 2.79Å
140	V	51.5	Low	62.5	Low	44 Å²	44	53.4 Å²	53.4	27%	0.267	30%	0.3	S	S	.	.	S	Bend	trans	-129.4	116.1	177.1	-175.1	0	0	0	0	109.6	I133 R137 T142	I133-V140 HydrophobicContact CB-CG2 4.38Å; I133-V140 HydrophobicContact CD1-CG2 4.22Å; I133-V140 HydrophobicContact CG1-CG2 3.29Å; R137-V140 PolarHBondContact O-N 3.38Å; R137-V140 VanDerWaalsContact O-N 3.07Å; V140-T142 PolarHBondContact O-N 2.74Å; V140-T142 VanDerWaalsContact O-N 3.09Å
141	T	49.7	Very low	62.6	Low	116 Å²	116	49.6 Å²	49.6	71%	0.712	28%	0.281	S	S	*	.			trans	-48.4	118.9	168.6	-46.3	0	0	0	0	108.6	D145	T141-D145 HydrophobicContact CG2-CB 4.22Å; T141-D145 WeakPolarHBondContact CG2-OD2 3.46Å
142	T	56	Low	62.9	Low	2 Å²	2	43.1 Å²	43.1	1%	0.012	25%	0.246	C	C	.	.			trans	-66.9	135.9	178.8	-7.8	0	0	0	0	107.4	G136 V140 G144 D145	G136-T142 VanDerWaalsContact N-CG2 3.35Å; V140-T142 PolarHBondContact O-N 2.74Å; V140-T142 VanDerWaalsContact O-N 3.09Å; T142-G144 PolarHBondContact O-N 3.38Å; T142-D145 WeakPolarHBondContact CB-OD1 3.49Å; T142-D145 PolarHBondContact N-OD2 3.2Å; T142-D145 WeakPolarHBondContact O-CB 3.34Å; T142-D145 PolarHBondContact O-N 3.02Å; T142-D145 VanDerWaalsContact OG1-CG 3.28Å; T142-D145 PolarHBondContact OG1-OD1 2.95Å; T142-D145 PolarHBondContact OG1-OD2 3.07Å
143	P	59.3	Low	63.7	Low	28 Å²	28	42.8 Å²	42.8	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.2	173	-29.8	36.7	0	0	0	112.6	S101 A102 D145	S101-P143 VanDerWaalsContact CB-CB 3.44Å; S101-P143 WeakPolarHBondContact CB-O 3.46Å; S101-P143 VanDerWaalsContact OG-CB 3.25Å; S101-P143 WeakPolarHBondContact OG-CB 3.49Å; A102-P143 WeakPolarHBondContact O-CB 3.42Å; P143-D145 VanDerWaalsContact C-N 3.28Å; P143-D145 PolarHBondContact O-N 2.92Å
144	G	59	Low	64.4	Low	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18	177.5	0	0	0	0	0	116	T142 A146 V147	T142-G144 PolarHBondContact O-N 3.38Å; G144-A146 VanDerWaalsContact C-N 3.31Å; G144-A146 PolarHBondContact O-N 3.43Å; G144-V147 WeakPolarHBondContact O-CG2 3.36Å; G144-V147 PolarHBondContact O-N 3.19Å
145	D	71.4	Confident	65.2	Low	37 Å²	37	49 Å²	49	20%	0.198	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-64.1	-40.1	-170.9	-60.2	-9.4	0	0	0	111.3	A16 T141 T142 P143 V147 L148	A16-D145 HydrophobicContact CB-CB 4.22Å; A16-D145 WeakPolarHBondContact CB-OD1 3.37Å; T141-D145 HydrophobicContact CG2-CB 4.22Å; T141-D145 WeakPolarHBondContact CG2-OD2 3.46Å; T142-D145 WeakPolarHBondContact CB-OD1 3.49Å; T142-D145 PolarHBondContact N-OD2 3.2Å; T142-D145 WeakPolarHBondContact O-CB 3.34Å; T142-D145 PolarHBondContact O-N 3.02Å; T142-D145 VanDerWaalsContact OG1-CG 3.28Å; T142-D145 PolarHBondContact OG1-OD1 2.95Å; T142-D145 PolarHBondContact OG1-OD2 3.07Å; P143-D145 VanDerWaalsContact C-N 3.28Å; P143-D145 PolarHBondContact O-N 2.92Å; D145-V147 VanDerWaalsContact C-N 3.26Å; D145-V147 PolarHBondContact O-N 2.93Å; D145-L148 PolarHBondContact O-N 3.23Å
146	A	74.8	Confident	66.5	Low	89 Å²	89	50.6 Å²	50.6	74%	0.736	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-67.2	-21.4	-178.1	0	0	0	0	0	114.3	G144	G144-A146 VanDerWaalsContact C-N 3.31Å; G144-A146 PolarHBondContact O-N 3.43Å
147	V	77.9	Confident	67.5	Low	25 Å²	25	55.8 Å²	55.8	15%	0.152	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-92.8	-17.4	-179	-60.8	0	0	0	0	112.9	V88 A99 G144 D145 S150 L151	V88-V147 HydrophobicContact CB-CG2 4.18Å; V88-V147 HydrophobicContact CG2-CG2 3.62Å; A99-V147 HydrophobicContact CB-CB 3.93Å; A99-V147 HydrophobicContact CB-CG1 4.47Å; A99-V147 HydrophobicContact CB-CG2 3.93Å; G144-V147 WeakPolarHBondContact O-CG2 3.36Å; G144-V147 PolarHBondContact O-N 3.19Å; D145-V147 VanDerWaalsContact C-N 3.26Å; D145-V147 PolarHBondContact O-N 2.93Å; V147-S150 PolarHBondContact O-N 3.43Å; V147-S150 PolarHBondContact O-OG 3.27Å; V147-L151 WeakPolarHBondContact O-CB 3.44Å; V147-L151 PolarHBondContact O-N 2.99Å
148	L	81.3	Confident	67.7	Low	1 Å²	1	52 Å²	52	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-56.1	-50.6	-174.6	-77.6	162.7	0	0	0	113.6	A16 I17 A20 V73 I75 V88 I90 D145 S150 L151 L152	A16-L148 HydrophobicContact CB-CD1 3.76Å; I17-L148 HydrophobicContact CG1-CD1 4.43Å; I17-L148 HydrophobicContact CG1-CD2 4.26Å; A20-L148 HydrophobicContact CB-CB 3.5Å; A20-L148 VanDerWaalsContact CB-CB 3.5Å; A20-L148 HydrophobicContact CB-CD1 4.41Å; A20-L148 HydrophobicContact CB-CG 4.48Å; V73-L148 HydrophobicContact CG1-CD2 4.38Å; I75-L148 HydrophobicContact CD1-CD1 3.97Å; I75-L148 HydrophobicContact CD1-CD2 4.24Å; I75-L148 HydrophobicContact CD1-CG 4.48Å; V88-L148 HydrophobicContact CG1-CD2 3.45Å; V88-L148 VanDerWaalsContact CG1-CD2 3.45Å; V88-L148 HydrophobicContact CG1-CG 4.25Å; I90-L148 HydrophobicContact CD1-CD2 4.25Å; D145-L148 PolarHBondContact O-N 3.23Å; L148-S150 PolarHBondContact O-N 3.37Å; L148-L151 PolarHBondContact O-N 2.91Å; L148-L152 WeakPolarHBondContact O-CB 3.47Å; L148-L152 PolarHBondContact O-N 3.22Å
149	P	78.7	Confident	68.2	Low	25 Å²	25	54.9 Å²	54.9	16%	0.162	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-43	-177.1	-22.1	33.9	0	0	0	112.1	A20 E23 I24 L151 L152 N153	A20-P149 HydrophobicContact CB-CG 4.1Å; E23-P149 WeakPolarHBondContact OE2-CG 3.4Å; I24-P149 HydrophobicContact CD1-CB 4.37Å; P149-L151 VanDerWaalsContact C-N 3.29Å; P149-L151 PolarHBondContact O-N 3.07Å; P149-L152 PolarHBondContact O-N 2.88Å; P149-N153 PolarHBondContact O-N 3.22Å
150	S	78.4	Confident	69.7	Low	70 Å²	70	51.6 Å²	51.6	49%	0.49	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-37.3	178.1	74.9	0	0	0	0	112.2	V147 L148 R154	V147-S150 PolarHBondContact O-N 3.43Å; V147-S150 PolarHBondContact O-OG 3.27Å; L148-S150 PolarHBondContact O-N 3.37Å; S150-R154 WeakPolarHBondContact O-CG 3.35Å; S150-R154 PolarHBondContact O-N 3.31Å
151	L	76.3	Confident	70.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-72	-44.8	179.7	-164.3	76.8	0	0	0	111.5	V88 I90 E98 A99 V147 L148 P149 N153 R154 V155	V88-L151 HydrophobicContact CB-CD2 4.08Å; V88-L151 HydrophobicContact CG1-CD2 3.6Å; I90-L151 HydrophobicContact CB-CD2 4.05Å; I90-L151 HydrophobicContact CD1-CB 4.15Å; I90-L151 HydrophobicContact CD1-CD2 3.76Å; I90-L151 HydrophobicContact CD1-CG 4.2Å; I90-L151 HydrophobicContact CG1-CD2 3.73Å; E98-L151 VanDerWaalsContact N-CD1 3.32Å; E98-L151 WeakPolarHBondContact O-CD1 3.45Å; A99-L151 HydrophobicContact CB-CD1 3.57Å; A99-L151 HydrophobicContact CB-CG 4.47Å; V147-L151 WeakPolarHBondContact O-CB 3.44Å; V147-L151 PolarHBondContact O-N 2.99Å; L148-L151 PolarHBondContact O-N 2.91Å; P149-L151 VanDerWaalsContact C-N 3.29Å; P149-L151 PolarHBondContact O-N 3.07Å; L151-N153 VanDerWaalsContact C-N 3.28Å; L151-N153 PolarHBondContact O-N 3.41Å; L151-R154 WeakPolarHBondContact O-CB 3.45Å; L151-R154 PolarHBondContact O-N 2.92Å; L151-R154 VanDerWaalsContact O-N 3.12Å; L151-V155 WeakPolarHBondContact O-CG2 3.25Å; L151-V155 PolarHBondContact O-N 3.43Å; L151-V155 VanDerWaalsContact O-N 3.08Å
152	L	75.6	Confident	71.8	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-44.5	178.1	-178.5	56.6	0	0	0	110.6	F21 I24 F25 F71 I90 L148 P149 R154 V155 I156	F21-L152 HydrophobicContact CB-CD2 4.31Å; F21-L152 HydrophobicContact CD1-CD1 4.3Å; F21-L152 HydrophobicContact CD1-CD2 3.83Å; F21-L152 HydrophobicContact CD2-CD2 3.72Å; F21-L152 HydrophobicContact CE1-CD1 3.64Å; F21-L152 HydrophobicContact CE1-CD2 4.02Å; F21-L152 HydrophobicContact CE2-CD1 3.94Å; F21-L152 HydrophobicContact CE2-CD2 3.92Å; F21-L152 HydrophobicContact CG-CD2 3.7Å; F21-L152 HydrophobicContact CZ-CD1 3.46Å; F21-L152 VanDerWaalsContact CZ-CD1 3.46Å; F21-L152 HydrophobicContact CZ-CD2 4.09Å; F21-L152 HydrophobicContact CZ-CG 4.42Å; I24-L152 HydrophobicContact CB-CD2 3.88Å; I24-L152 HydrophobicContact CB-CG 4.44Å; I24-L152 HydrophobicContact CG1-CB 4.47Å; I24-L152 HydrophobicContact CG1-CD2 3.85Å; I24-L152 HydrophobicContact CG1-CG 4.27Å; I24-L152 HydrophobicContact CG2-CD2 4.33Å; I24-L152 HydrophobicContact CG2-CG 4.42Å; F25-L152 HydrophobicContact CD2-CD2 4.37Å; F25-L152 HydrophobicContact CE2-CD1 4.19Å; F25-L152 HydrophobicContact CE2-CD2 4.08Å; F25-L152 HydrophobicContact CE2-CG 4.38Å; F71-L152 HydrophobicContact CD1-CD1 4.37Å; F71-L152 HydrophobicContact CE1-CD1 4.19Å; I90-L152 HydrophobicContact CD1-CB 4.07Å; I90-L152 HydrophobicContact CD1-CD1 4.46Å; I90-L152 HydrophobicContact CG2-CD1 4.36Å; L148-L152 WeakPolarHBondContact O-CB 3.47Å; L148-L152 PolarHBondContact O-N 3.22Å; P149-L152 PolarHBondContact O-N 2.88Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-R154 PolarHBondContact O-N 2.83Å; L152-V155 PolarHBondContact O-N 3.23Å; L152-V155 VanDerWaalsContact O-N 3.09Å; L152-I156 HydrophobicContact CD1-CD1 3.82Å; L152-I156 HydrophobicContact CD1-CG1 4.18Å; L152-I156 HydrophobicContact CD2-CD1 4.45Å; L152-I156 HydrophobicContact CG-CD1 3.64Å; L152-I156 HydrophobicContact CG-CG1 4.46Å; L152-I156 WeakPolarHBondContact O-CD1 3.44Å; L152-I156 VanDerWaalsContact O-CG1 3.26Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 2.95Å
153	N	81.2	Confident	72.7	Confident	81 Å²	81	51.1 Å²	51.1	43%	0.433	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-40.9	176.2	-162	32.1	0	0	0	112.5	P149 L151 V155 I156 V157	P149-N153 PolarHBondContact O-N 3.22Å; L151-N153 VanDerWaalsContact C-N 3.28Å; L151-N153 PolarHBondContact O-N 3.41Å; N153-V155 VanDerWaalsContact C-N 3.33Å; N153-V155 PolarHBondContact O-N 2.82Å; N153-I156 PolarHBondContact O-N 3.46Å; N153-V157 WeakPolarHBondContact O-CB 3.25Å; N153-V157 WeakPolarHBondContact O-CG2 3.22Å; N153-V157 PolarHBondContact O-N 3.17Å; N153-V157 VanDerWaalsContact OD1-CG2 3.29Å; N153-V157 WeakPolarHBondContact OD1-CG2 3.32Å
154	R	79	Confident	73.5	Confident	149 Å²	149	52.6 Å²	52.6	56%	0.562	31%	0.313	S	S	*	.	H	α-helix	trans	-65.4	-33.5	176	-68	176.4	78.7	-178.4	5.8	113.2	S150 L151 L152 G158	S150-R154 WeakPolarHBondContact O-CG 3.35Å; S150-R154 PolarHBondContact O-N 3.31Å; L151-R154 WeakPolarHBondContact O-CB 3.45Å; L151-R154 PolarHBondContact O-N 2.92Å; L151-R154 VanDerWaalsContact O-N 3.12Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-R154 PolarHBondContact O-N 2.83Å; R154-G158 CarbonylContact O-C 3.55Å; R154-G158 VanDerWaalsContact O-CA 3.28Å; R154-G158 WeakPolarHBondContact O-CA 3.48Å; R154-G158 PolarHBondContact O-N 2.89Å; R154-G158 VanDerWaalsContact O-N 3.12Å
155	V	76	Confident	74.5	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-75.9	-30.1	177.4	178	0	0	0	0	111.7	F71 I90 N92 Q95 G97 L151 L152 N153	F71-V155 HydrophobicContact CD1-CG1 4.46Å; F71-V155 HydrophobicContact CE1-CG1 4.22Å; I90-V155 HydrophobicContact CB-CG2 4.09Å; I90-V155 HydrophobicContact CG2-CB 4.29Å; I90-V155 HydrophobicContact CG2-CG1 4.17Å; I90-V155 HydrophobicContact CG2-CG2 4.04Å; N92-V155 HydrophobicContact CB-CG1 3.89Å; N92-V155 PolarHBondContact ND2-O 3.03Å; Q95-V155 PolarHBondContact OE1-O 2.66Å; Q95-V155 VanDerWaalsContact OE1-O 3.09Å; G97-V155 VanDerWaalsContact CA-CG2 3.49Å; L151-V155 WeakPolarHBondContact O-CG2 3.25Å; L151-V155 PolarHBondContact O-N 3.43Å; L151-V155 VanDerWaalsContact O-N 3.08Å; L152-V155 PolarHBondContact O-N 3.23Å; L152-V155 VanDerWaalsContact O-N 3.09Å; N153-V155 VanDerWaalsContact C-N 3.33Å; N153-V155 PolarHBondContact O-N 2.82Å
156	I	79.1	Confident	74.7	Confident	62 Å²	62	57.4 Å²	57.4	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-80.7	-50	179.8	-65.4	160.4	0	0	0	111.3	I24 F25 F71 L152 N153	I24-I156 HydrophobicContact CG2-CD1 3.48Å; I24-I156 VanDerWaalsContact CG2-CD1 3.48Å; F25-I156 HydrophobicContact CE1-CD1 3.64Å; F25-I156 HydrophobicContact CE1-CG1 4.2Å; F25-I156 HydrophobicContact CE2-CD1 3.61Å; F25-I156 HydrophobicContact CE2-CG1 4.39Å; F25-I156 HydrophobicContact CZ-CD1 3.1Å; F25-I156 HydrophobicContact CZ-CG1 3.6Å; F71-I156 HydrophobicContact CE1-CG1 4.25Å; F71-I156 HydrophobicContact CZ-CG1 4.18Å; L152-I156 HydrophobicContact CD1-CD1 3.82Å; L152-I156 HydrophobicContact CD1-CG1 4.18Å; L152-I156 HydrophobicContact CD2-CD1 4.45Å; L152-I156 HydrophobicContact CG-CD1 3.64Å; L152-I156 HydrophobicContact CG-CG1 4.46Å; L152-I156 WeakPolarHBondContact O-CD1 3.44Å; L152-I156 VanDerWaalsContact O-CG1 3.26Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 2.95Å; N153-I156 PolarHBondContact O-N 3.46Å
157	V	72.5	Confident	74.7	Confident	110 Å²	110	55 Å²	55	67%	0.667	31%	0.313	S	S	*	.	H	α-helix	trans	-88.4	-19.4	-170.3	-175.1	0	0	0	0	111.5	N153	N153-V157 WeakPolarHBondContact O-CB 3.25Å; N153-V157 WeakPolarHBondContact O-CG2 3.22Å; N153-V157 PolarHBondContact O-N 3.17Å; N153-V157 VanDerWaalsContact OD1-CG2 3.29Å; N153-V157 WeakPolarHBondContact OD1-CG2 3.32Å
158	G	59	Low	74.4	Confident	11 Å²	11	57.5 Å²	57.5	11%	0.113	33%	0.327	C	S	.	.			trans	85.2	173.5	-166.4	0	0	0	0	0	112.4	R154	R154-G158 CarbonylContact O-C 3.55Å; R154-G158 VanDerWaalsContact O-CA 3.28Å; R154-G158 WeakPolarHBondContact O-CA 3.48Å; R154-G158 PolarHBondContact O-N 2.89Å; R154-G158 VanDerWaalsContact O-N 3.12Å
159	P	56.3	Low	73.8	Confident	178 Å²	178	62.6 Å²	62.6	100%	1.156	36%	0.356	S	S	*	.			trans	-68.1	0	179	29.4	-34.8	0	0	0	114

Retrieved 159 of 159 residues in 1344.1 ms (Link to these results)

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