A0A077Z8W3_TRITR Loading...

TPR 11 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8W3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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	80.8	Confident	92.3	Very high	223 Å²	223	81.3 Å²	81.3	100%	1.099	40%	0.401	S	S	*	.				0	144.4	0	-64.9	-156.5	-152	0	0	108.4
2	P	87.6	Confident	92.5	Very high	42 Å²	42	75 Å²	75	27%	0.273	37%	0.371	S	S	.	.			trans	-60.3	150.7	173.1	-13.5	25.3	0	0	0	111.1	D6 R7 F44	P2-D6 HydrophobicContact CB-CB 4.31Å; P2-R7 HydrophobicContact CB-CG 4Å; P2-F44 HydrophobicContact CB-CD1 3.8Å; P2-F44 HydrophobicContact CB-CE1 4.37Å; P2-F44 HydrophobicContact CG-CB 4.4Å; P2-F44 HydrophobicContact CG-CD1 3.93Å; P2-F44 HydrophobicContact CG-CG 4.47Å
3	S	92.8	Very high	92.7	Very high	53 Å²	53	73.6 Å²	73.6	37%	0.371	37%	0.365	S	S	.	.			trans	-69.1	160.2	177.4	75.8	0	0	0	0	111.2	F5 D6 R7	S3-F5 PolarHBondContact O-N 2.89Å; S3-F5 PolarHBondContact OG-N 2.97Å; S3-D6 WeakPolarHBondContact CB-OD2 3.47Å; S3-D6 PolarHBondContact N-OD2 3.32Å; S3-D6 PolarHBondContact O-N 3.26Å; S3-D6 PolarHBondContact OG-N 3.17Å; S3-D6 VanDerWaalsContact OG-N 3.1Å; S3-D6 PolarHBondContact OG-OD2 3.09Å; S3-R7 WeakPolarHBondContact O-CG 3.42Å; S3-R7 PolarHBondContact O-N 3.13Å
4	L	91.9	Very high	92.8	Very high	108 Å²	108	68.6 Å²	68.6	57%	0.565	34%	0.34	S	S	*	.	H	α-helix	trans	-56.8	-38.5	173.5	178.2	62.3	0	0	0	111.3	R7 R8 L53	L4-R7 PolarHBondContact O-N 3.34Å; L4-R8 HydrophobicContact CD1-CG 4.2Å; L4-R8 HydrophobicContact CG-CG 4.47Å; L4-R8 VanDerWaalsContact O-CG 3.25Å; L4-R8 WeakPolarHBondContact O-CG 3.36Å; L4-R8 PolarHBondContact O-N 2.77Å; L4-L53 HydrophobicContact CD1-CD2 4.18Å
5	F	93.1	Very high	92.8	Very high	145 Å²	145	67.5 Å²	67.5	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-60.8	-48.8	176.9	177.8	-95.7	0	0	0	111.4	S3 R7 R8 L9	S3-F5 PolarHBondContact O-N 2.89Å; S3-F5 PolarHBondContact OG-N 2.97Å; F5-R7 VanDerWaalsContact C-N 3.34Å; F5-R7 PolarHBondContact O-N 2.99Å; F5-R8 PolarHBondContact O-N 3.49Å; F5-L9 HydrophobicContact CE1-CD2 4.41Å; F5-L9 PolarHBondContact O-N 3.11Å
6	D	94.3	Very high	92.9	Very high	64 Å²	64	68.5 Å²	68.5	34%	0.342	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-42.8	179.7	-55.6	-39.7	0	0	0	111.3	P2 S3 R8 L9 V10 F44	P2-D6 HydrophobicContact CB-CB 4.31Å; S3-D6 WeakPolarHBondContact CB-OD2 3.47Å; S3-D6 PolarHBondContact N-OD2 3.32Å; S3-D6 PolarHBondContact O-N 3.26Å; S3-D6 PolarHBondContact OG-N 3.17Å; S3-D6 VanDerWaalsContact OG-N 3.1Å; S3-D6 PolarHBondContact OG-OD2 3.09Å; D6-R8 VanDerWaalsContact C-N 3.34Å; D6-R8 PolarHBondContact O-N 3.24Å; D6-L9 PolarHBondContact O-N 3.29Å; D6-V10 WeakPolarHBondContact O-CB 3.35Å; D6-V10 VanDerWaalsContact O-CG2 3.32Å; D6-V10 WeakPolarHBondContact O-CG2 3.27Å; D6-V10 PolarHBondContact O-N 3.37Å; D6-F44 HydrophobicContact CB-CD1 4.41Å; D6-F44 HydrophobicContact CB-CE1 4.19Å
7	R	94.8	Very high	92.9	Very high	57 Å²	57	66.1 Å²	66.1	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-43.1	177.6	-67.1	177.2	74.3	-140.7	-3.1	111.6	P2 S3 L4 F5 Y11 D45 D50 L53	P2-R7 HydrophobicContact CB-CG 4Å; S3-R7 WeakPolarHBondContact O-CG 3.42Å; S3-R7 PolarHBondContact O-N 3.13Å; L4-R7 PolarHBondContact O-N 3.34Å; F5-R7 VanDerWaalsContact C-N 3.34Å; F5-R7 PolarHBondContact O-N 2.99Å; R7-Y11 VanDerWaalsContact O-CB 3.31Å; R7-Y11 WeakPolarHBondContact O-CB 3.3Å; R7-Y11 PolarHBondContact O-N 3.01Å; R7-D45 PolarHBondContact NE-O 2.92Å; R7-D45 PolarHBondContact NH2-O 2.91Å; R7-D50 IonicContact NH2-OD2 3.49Å; R7-L53 HydrophobicContact CB-CD2 3.75Å
8	R	94.4	Very high	92.8	Very high	99 Å²	99	66.6 Å²	66.6	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-65.7	-44.7	177.2	-70.8	-178.3	78.3	179.4	9.2	112	L4 F5 D6 Y11 S12 L53 R54	L4-R8 HydrophobicContact CD1-CG 4.2Å; L4-R8 HydrophobicContact CG-CG 4.47Å; L4-R8 VanDerWaalsContact O-CG 3.25Å; L4-R8 WeakPolarHBondContact O-CG 3.36Å; L4-R8 PolarHBondContact O-N 2.77Å; F5-R8 PolarHBondContact O-N 3.49Å; D6-R8 VanDerWaalsContact C-N 3.34Å; D6-R8 PolarHBondContact O-N 3.24Å; R8-Y11 WeakPolarHBondContact O-CB 3.33Å; R8-Y11 PolarHBondContact O-N 2.99Å; R8-S12 PolarHBondContact O-N 2.89Å; R8-S12 PolarHBondContact O-OG 3.21Å; R8-L53 HydrophobicContact CG-CD2 4.02Å; R8-R54 PolarHBondContact NH2-O 3.28Å
9	L	94.8	Very high	92.6	Very high	78 Å²	78	66 Å²	66	41%	0.408	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-47	177.9	178.7	59.8	0	0	0	111.4	F5 D6 Y11 S12 I13	F5-L9 HydrophobicContact CE1-CD2 4.41Å; F5-L9 PolarHBondContact O-N 3.11Å; D6-L9 PolarHBondContact O-N 3.29Å; L9-Y11 VanDerWaalsContact C-N 3.31Å; L9-Y11 PolarHBondContact O-N 3.48Å; L9-S12 PolarHBondContact O-N 3.41Å; L9-I13 HydrophobicContact CG-CD1 4.35Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 2.89Å
10	V	95.6	Very high	92.5	Very high	12 Å²	12	63.9 Å²	63.9	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-36.8	177.4	176.4	0	0	0	0	110.8	D6 S12 I13 L14 L40 F44 I46	D6-V10 WeakPolarHBondContact O-CB 3.35Å; D6-V10 VanDerWaalsContact O-CG2 3.32Å; D6-V10 WeakPolarHBondContact O-CG2 3.27Å; D6-V10 PolarHBondContact O-N 3.37Å; V10-S12 PolarHBondContact O-N 3.29Å; V10-I13 WeakPolarHBondContact O-CB 3.33Å; V10-I13 PolarHBondContact O-N 3.18Å; V10-I13 VanDerWaalsContact O-N 3.17Å; V10-L14 HydrophobicContact CG1-CD1 4.25Å; V10-L14 HydrophobicContact CG1-CG 4.3Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 3.26Å; V10-L40 HydrophobicContact CG1-CB 4.17Å; V10-L40 HydrophobicContact CG1-CD2 4.45Å; V10-F44 HydrophobicContact CB-CD1 4.39Å; V10-F44 HydrophobicContact CB-CD2 4.43Å; V10-F44 HydrophobicContact CB-CG 4.2Å; V10-F44 HydrophobicContact CG1-CB 4.24Å; V10-F44 HydrophobicContact CG1-CD2 3.95Å; V10-F44 HydrophobicContact CG1-CG 4.06Å; V10-F44 HydrophobicContact CG2-CD1 3.77Å; V10-F44 HydrophobicContact CG2-CD2 3.96Å; V10-F44 HydrophobicContact CG2-CE1 3.75Å; V10-F44 HydrophobicContact CG2-CE2 3.93Å; V10-F44 HydrophobicContact CG2-CG 3.88Å; V10-F44 HydrophobicContact CG2-CZ 3.83Å; V10-I46 HydrophobicContact CB-CD1 3.65Å; V10-I46 HydrophobicContact CG1-CD1 3.38Å
11	Y	95.2	Very high	92.4	Very high	13 Å²	13	63 Å²	63	5%	0.051	31%	0.31	C	S	.	.	H	α-helix	trans	-56.9	-47.9	172.5	-169	-82.6	0	0	0	111.5	R7 R8 L9 I13 L14 E15 I46 P48 L53 R54	R7-Y11 VanDerWaalsContact O-CB 3.31Å; R7-Y11 WeakPolarHBondContact O-CB 3.3Å; R7-Y11 PolarHBondContact O-N 3.01Å; R8-Y11 WeakPolarHBondContact O-CB 3.33Å; R8-Y11 PolarHBondContact O-N 2.99Å; L9-Y11 VanDerWaalsContact C-N 3.31Å; L9-Y11 PolarHBondContact O-N 3.48Å; Y11-I13 VanDerWaalsContact C-N 3.3Å; Y11-I13 PolarHBondContact O-N 3.05Å; Y11-L14 WeakPolarHBondContact O-CB 3.44Å; Y11-L14 PolarHBondContact O-N 3.46Å; Y11-L14 VanDerWaalsContact O-N 3.08Å; Y11-E15 HydrophobicContact CD1-CG 3.98Å; Y11-E15 HydrophobicContact CE1-CG 3.73Å; Y11-E15 WeakPolarHBondContact CE1-OE1 3.47Å; Y11-E15 PolarHBondContact O-N 3.35Å; Y11-I46 HydrophobicContact CD2-CG2 3.6Å; Y11-I46 HydrophobicContact CE2-CG2 4.26Å; Y11-P48 PolarHBondContact OH-O 2.99Å; Y11-L53 HydrophobicContact CD1-CB 4.27Å; Y11-L53 HydrophobicContact CD2-CB 3.49Å; Y11-L53 VanDerWaalsContact CD2-CB 3.49Å; Y11-L53 HydrophobicContact CD2-CD1 3.74Å; Y11-L53 HydrophobicContact CD2-CG 4.27Å; Y11-L53 HydrophobicContact CE2-CB 4.06Å; Y11-L53 HydrophobicContact CE2-CD1 4.44Å; Y11-L53 HydrophobicContact CG-CB 3.61Å; Y11-L53 HydrophobicContact CG-CD1 4.44Å; Y11-R54 HydrophobicContact CD1-CG 4.34Å; Y11-R54 HydrophobicContact CE1-CB 4.44Å; Y11-R54 HydrophobicContact CE1-CG 3.45Å; Y11-R54 VanDerWaalsContact CE1-CG 3.45Å; Y11-R54 PolarHBondContact OH-NE 3.3Å; Y11-R54 VanDerWaalsContact OH-NE 3.15Å
12	S	94.7	Very high	92.8	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-33.9	176.7	-53.8	0	0	0	0	113	R8 L9 V10 F16 T55	R8-S12 PolarHBondContact O-N 2.89Å; R8-S12 PolarHBondContact O-OG 3.21Å; L9-S12 PolarHBondContact O-N 3.41Å; V10-S12 PolarHBondContact O-N 3.29Å; S12-F16 PolarHBondContact O-N 3.01Å; S12-F16 VanDerWaalsContact O-N 3.14Å; S12-T55 PolarHBondContact OG-OG1 3.18Å
13	I	95.4	Very high	92.8	Very high	57 Å²	57	66.2 Å²	66.2	29%	0.292	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-43.2	172.3	-66.7	167.3	0	0	0	110.4	L9 V10 Y11 F16 L17 L40 L59	L9-I13 HydrophobicContact CG-CD1 4.35Å; L9-I13 WeakPolarHBondContact O-CG1 3.47Å; L9-I13 PolarHBondContact O-N 2.89Å; V10-I13 WeakPolarHBondContact O-CB 3.33Å; V10-I13 PolarHBondContact O-N 3.18Å; V10-I13 VanDerWaalsContact O-N 3.17Å; Y11-I13 VanDerWaalsContact C-N 3.3Å; Y11-I13 PolarHBondContact O-N 3.05Å; I13-F16 WeakPolarHBondContact O-CB 3.47Å; I13-F16 PolarHBondContact O-N 3.37Å; I13-L17 HydrophobicContact CG2-CD1 4.16Å; I13-L17 HydrophobicContact CG2-CG 4.32Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 3.2Å; I13-L40 HydrophobicContact CG2-CD1 4.48Å; I13-L59 HydrophobicContact CB-CD2 4.37Å; I13-L59 HydrophobicContact CG1-CD2 3.72Å
14	L	94.1	Very high	92.4	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-42.7	178.7	-69.8	172.9	0	0	0	111.9	V10 Y11 F16 L17 Q18 V37 L40 R41 I46	V10-L14 HydrophobicContact CG1-CD1 4.25Å; V10-L14 HydrophobicContact CG1-CG 4.3Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 3.26Å; Y11-L14 WeakPolarHBondContact O-CB 3.44Å; Y11-L14 PolarHBondContact O-N 3.46Å; Y11-L14 VanDerWaalsContact O-N 3.08Å; L14-F16 VanDerWaalsContact C-N 3.35Å; L14-L17 PolarHBondContact O-N 3.26Å; L14-Q18 WeakPolarHBondContact O-CG 3.39Å; L14-Q18 PolarHBondContact O-N 3.42Å; L14-V37 HydrophobicContact CD2-CB 4.14Å; L14-V37 HydrophobicContact CD2-CG1 4.05Å; L14-V37 HydrophobicContact CD2-CG2 4.13Å; L14-V37 WeakPolarHBondContact CD2-O 3.44Å; L14-L40 HydrophobicContact CD2-CB 3.81Å; L14-L40 HydrophobicContact CD2-CD1 4.1Å; L14-R41 HydrophobicContact CD1-CG 3.52Å; L14-R41 HydrophobicContact CD2-CG 4.3Å; L14-I46 HydrophobicContact CD1-CB 4.3Å; L14-I46 HydrophobicContact CD1-CD1 3.85Å; L14-I46 HydrophobicContact CD1-CG2 3.91Å
15	E	92.8	Very high	91.9	Very high	51 Å²	51	70.3 Å²	70.3	24%	0.238	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-47.8	173.5	-71.9	-176.1	129.6	0	0	110.9	Y11 L17 Q18 E19	Y11-E15 HydrophobicContact CD1-CG 3.98Å; Y11-E15 HydrophobicContact CE1-CG 3.73Å; Y11-E15 WeakPolarHBondContact CE1-OE1 3.47Å; Y11-E15 PolarHBondContact O-N 3.35Å; E15-L17 PolarHBondContact O-N 3.43Å; E15-Q18 WeakPolarHBondContact O-CB 3.46Å; E15-Q18 PolarHBondContact O-N 3.29Å; E15-Q18 VanDerWaalsContact O-N 3.17Å; E15-E19 PolarHBondContact O-N 3.03Å
16	F	94.3	Very high	91.5	Very high	84 Å²	84	67.2 Å²	67.2	37%	0.368	32%	0.317	S	S	.	.	H	α-helix	trans	-57.7	-46.5	175.5	166.6	-104.8	0	0	0	112.5	S12 I13 L14 Q18 E19 V20 L59	S12-F16 PolarHBondContact O-N 3.01Å; S12-F16 VanDerWaalsContact O-N 3.14Å; I13-F16 WeakPolarHBondContact O-CB 3.47Å; I13-F16 PolarHBondContact O-N 3.37Å; L14-F16 VanDerWaalsContact C-N 3.35Å; F16-Q18 VanDerWaalsContact C-N 3.29Å; F16-Q18 PolarHBondContact O-N 3.14Å; F16-E19 WeakPolarHBondContact O-CB 3.4Å; F16-E19 PolarHBondContact O-N 3.05Å; F16-V20 HydrophobicContact CD2-CG2 4.29Å; F16-V20 HydrophobicContact CE1-CG2 4.09Å; F16-V20 HydrophobicContact CE2-CG2 3.77Å; F16-V20 HydrophobicContact CZ-CG2 3.66Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 2.92Å; F16-L59 HydrophobicContact CB-CD2 4.23Å
17	L	92.9	Very high	91	Very high	27 Å²	27	69 Å²	69	14%	0.141	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-36.8	178	-67.7	178.7	0	0	0	111.9	I13 L14 E15 V20 I21 L33 V37 L40	I13-L17 HydrophobicContact CG2-CD1 4.16Å; I13-L17 HydrophobicContact CG2-CG 4.32Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 3.2Å; L14-L17 PolarHBondContact O-N 3.26Å; E15-L17 PolarHBondContact O-N 3.43Å; L17-V20 PolarHBondContact O-N 3.35Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.5Å; L17-I21 PolarHBondContact O-N 3.35Å; L17-L33 HydrophobicContact CD2-CD2 4.22Å; L17-V37 HydrophobicContact CB-CG2 3.75Å; L17-V37 HydrophobicContact CD1-CG2 3.92Å; L17-L40 HydrophobicContact CD1-CD1 4.2Å
18	Q	90.4	Very high	90.7	Very high	76 Å²	76	70.8 Å²	70.8	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-41.3	174.4	-73	179.8	-51.2	0	0	111.9	L14 E15 F16 V20 I21 Q22	L14-Q18 WeakPolarHBondContact O-CG 3.39Å; L14-Q18 PolarHBondContact O-N 3.42Å; E15-Q18 WeakPolarHBondContact O-CB 3.46Å; E15-Q18 PolarHBondContact O-N 3.29Å; E15-Q18 VanDerWaalsContact O-N 3.17Å; F16-Q18 VanDerWaalsContact C-N 3.29Å; F16-Q18 PolarHBondContact O-N 3.14Å; Q18-V20 VanDerWaalsContact C-N 3.34Å; Q18-V20 PolarHBondContact O-N 3.46Å; Q18-I21 PolarHBondContact O-N 3.22Å; Q18-Q22 WeakPolarHBondContact O-CG 3.45Å; Q18-Q22 PolarHBondContact O-N 2.9Å
19	E	90.3	Very high	90.4	Very high	55 Å²	55	69.8 Å²	69.8	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-59.4	-44.7	172.9	-70.2	-177.8	-154.5	0	0	111.5	E15 F16 I21 Q22 R23	E15-E19 PolarHBondContact O-N 3.03Å; F16-E19 WeakPolarHBondContact O-CB 3.4Å; F16-E19 PolarHBondContact O-N 3.05Å; E19-I21 VanDerWaalsContact C-N 3.32Å; E19-I21 PolarHBondContact O-N 3.48Å; E19-Q22 PolarHBondContact O-N 3.23Å; E19-R23 WeakPolarHBondContact O-CB 3.36Å; E19-R23 VanDerWaalsContact O-CG 3.24Å; E19-R23 WeakPolarHBondContact O-CG 3.07Å; E19-R23 PolarHBondContact O-N 2.98Å; E19-R23 IonicContact OE2-CZ 3.58Å; E19-R23 IonicContact OE2-NH2 3.55Å; E19-R23 PolarHBondContact OE2-NH2 3.47Å
20	V	90.6	Very high	90.2	Very high	23 Å²	23	68.6 Å²	68.6	14%	0.139	36%	0.357	C	S	.	.	H	α-helix	trans	-60.4	-42.1	177.7	171.3	0	0	0	0	111.4	F16 L17 Q18 K24 S25 L26 L33	F16-V20 HydrophobicContact CD2-CG2 4.29Å; F16-V20 HydrophobicContact CE1-CG2 4.09Å; F16-V20 HydrophobicContact CE2-CG2 3.77Å; F16-V20 HydrophobicContact CZ-CG2 3.66Å; F16-V20 WeakPolarHBondContact O-CG2 3.44Å; F16-V20 PolarHBondContact O-N 2.92Å; L17-V20 PolarHBondContact O-N 3.35Å; Q18-V20 VanDerWaalsContact C-N 3.34Å; Q18-V20 PolarHBondContact O-N 3.46Å; V20-K24 PolarHBondContact O-N 3.24Å; V20-S25 PolarHBondContact O-N 3.4Å; V20-L26 HydrophobicContact CG1-CD1 4.23Å; V20-L33 HydrophobicContact CG1-CD1 4.16Å
21	I	89	Confident	89.9	Confident	47 Å²	47	71.7 Å²	71.7	24%	0.241	38%	0.384	C	S	.	.	H	α-helix	trans	-63.4	-46.3	175.7	-70	166	0	0	0	110.6	L17 Q18 E19 K24 V30 L33 V37	L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.5Å; L17-I21 PolarHBondContact O-N 3.35Å; Q18-I21 PolarHBondContact O-N 3.22Å; E19-I21 VanDerWaalsContact C-N 3.32Å; E19-I21 PolarHBondContact O-N 3.48Å; I21-K24 PolarHBondContact O-N 3.02Å; I21-K24 VanDerWaalsContact O-N 3.11Å; I21-V30 HydrophobicContact CG2-CG1 4.24Å; I21-L33 HydrophobicContact CD1-CB 3.94Å; I21-L33 HydrophobicContact CG1-CB 4.02Å; I21-L33 HydrophobicContact CG1-CD1 4.19Å; I21-V37 HydrophobicContact CD1-CG2 4.49Å
22	Q	89.2	Confident	89.7	Confident	156 Å²	156	75.8 Å²	75.8	73%	0.729	41%	0.41	S	S	*	.	H	α-helix	trans	-64.1	-41.1	179.9	-75.1	179.9	-4.6	0	0	112.6	Q18 E19 K24	Q18-Q22 WeakPolarHBondContact O-CG 3.45Å; Q18-Q22 PolarHBondContact O-N 2.9Å; E19-Q22 PolarHBondContact O-N 3.23Å; Q22-K24 PolarHBondContact O-N 3.21Å; Q22-K24 VanDerWaalsContact O-N 3.15Å
23	R	88.9	Confident	89.6	Confident	176 Å²	176	77 Å²	77	66%	0.664	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.5	175.9	-67.7	174.2	-164.5	-163.7	9.2	113	E19 S25	E19-R23 WeakPolarHBondContact O-CB 3.36Å; E19-R23 VanDerWaalsContact O-CG 3.24Å; E19-R23 WeakPolarHBondContact O-CG 3.07Å; E19-R23 PolarHBondContact O-N 2.98Å; E19-R23 IonicContact OE2-CZ 3.58Å; E19-R23 IonicContact OE2-NH2 3.55Å; E19-R23 PolarHBondContact OE2-NH2 3.47Å; R23-S25 PolarHBondContact O-N 3.39Å; R23-S25 VanDerWaalsContact O-N 3.16Å
24	K	83.5	Confident	89.4	Confident	164 Å²	164	76.7 Å²	76.7	71%	0.713	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	32.6	-173.1	-59.3	-177.8	179.9	178.5	0	112.7	V20 I21 Q22 L26 P27	V20-K24 PolarHBondContact O-N 3.24Å; I21-K24 PolarHBondContact O-N 3.02Å; I21-K24 VanDerWaalsContact O-N 3.11Å; Q22-K24 PolarHBondContact O-N 3.21Å; Q22-K24 VanDerWaalsContact O-N 3.15Å; K24-L26 PolarHBondContact O-N 2.8Å; K24-P27 WeakPolarHBondContact O-CD 3.49Å
25	S	81.5	Confident	89.4	Confident	83 Å²	83	81 Å²	81	58%	0.58	45%	0.449	S	S	*	.	S	Bend	trans	-67.6	-23.4	-175.4	-171.2	0	0	0	0	112.9	V20 R23	V20-S25 PolarHBondContact O-N 3.4Å; R23-S25 PolarHBondContact O-N 3.39Å; R23-S25 VanDerWaalsContact O-N 3.16Å
26	L	85.1	Confident	89.4	Confident	80 Å²	80	80.5 Å²	80.5	42%	0.419	45%	0.453	S	S	.	.			trans	-133.4	69.3	-178.3	-66.6	173.8	0	0	0	110.6	V20 K24 A28 N29 V30 L33	V20-L26 HydrophobicContact CG1-CD1 4.23Å; K24-L26 PolarHBondContact O-N 2.8Å; L26-A28 VanDerWaalsContact C-N 3.26Å; L26-A28 PolarHBondContact O-N 3.17Å; L26-N29 HydrophobicContact CB-CB 4.28Å; L26-N29 PolarHBondContact O-N 3.45Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.49Å; L26-L33 HydrophobicContact CB-CD1 4.42Å; L26-L33 HydrophobicContact CD1-CD1 4.33Å
27	P	84	Confident	89.4	Confident	101 Å²	101	77 Å²	77	66%	0.656	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-61.1	-34.5	-172.3	24.8	-33.3	0	0	0	112.8	K24 N29	K24-P27 WeakPolarHBondContact O-CD 3.49Å; P27-N29 PolarHBondContact O-N 2.92Å
28	A	87.3	Confident	89.5	Confident	95 Å²	95	80.6 Å²	80.6	79%	0.785	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-65.9	-21.6	177.5	0	0	0	0	0	113.6	L26	L26-A28 VanDerWaalsContact C-N 3.26Å; L26-A28 PolarHBondContact O-N 3.17Å
29	N	88.7	Confident	89.7	Confident	77 Å²	77	81.2 Å²	81.2	41%	0.412	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-114.6	7.3	-171.4	-64.4	-25.3	0	0	0	113.6	L26 P27 A31 V32 L33	L26-N29 HydrophobicContact CB-CB 4.28Å; L26-N29 PolarHBondContact O-N 3.45Å; P27-N29 PolarHBondContact O-N 2.92Å; N29-A31 VanDerWaalsContact C-N 3.32Å; N29-A31 PolarHBondContact O-N 3.35Å; N29-V32 PolarHBondContact O-N 3.07Å; N29-V32 VanDerWaalsContact O-N 3.09Å; N29-L33 WeakPolarHBondContact O-CG 3.39Å; N29-L33 PolarHBondContact O-N 3.28Å
30	V	90.1	Very high	90	Very high	54 Å²	54	80.9 Å²	80.9	33%	0.327	46%	0.463	S	S	.	.	H	α-helix	trans	-56.5	-44.8	-175.2	175.3	0	0	0	0	112.1	I21 L26 V32 L33 A34	I21-V30 HydrophobicContact CG2-CG1 4.24Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.49Å; V30-V32 PolarHBondContact O-N 3.25Å; V30-L33 PolarHBondContact O-N 3.06Å; V30-A34 WeakPolarHBondContact O-CB 3.46Å; V30-A34 PolarHBondContact O-N 3.42Å
31	A	90.2	Very high	90.2	Very high	76 Å²	76	81.9 Å²	81.9	63%	0.628	46%	0.464	S	S	*	.	H	α-helix	trans	-63.3	-41.4	178.3	0	0	0	0	0	112.1	N29 A34 V35	N29-A31 VanDerWaalsContact C-N 3.32Å; N29-A31 PolarHBondContact O-N 3.35Å; A31-A34 PolarHBondContact O-N 2.97Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.47Å; A31-V35 VanDerWaalsContact O-N 3.1Å
32	V	91.6	Very high	90.5	Very high	100 Å²	100	84.5 Å²	84.5	61%	0.606	48%	0.483	S	S	*	.	H	α-helix	trans	-64.6	-43.7	178.2	-178.7	0	0	0	0	110.7	N29 V30 V35 A36	N29-V32 PolarHBondContact O-N 3.07Å; N29-V32 VanDerWaalsContact O-N 3.09Å; V30-V32 PolarHBondContact O-N 3.25Å; V32-V35 PolarHBondContact O-N 2.96Å; V32-A36 PolarHBondContact O-N 2.92Å
33	L	92.3	Very high	90.8	Very high	30 Å²	30	80.2 Å²	80.2	16%	0.157	47%	0.473	C	S	.	.	H	α-helix	trans	-64.8	-41.3	177.3	-68.6	173.6	0	0	0	112.1	L17 V20 I21 L26 N29 V30 V35 A36 V37	L17-L33 HydrophobicContact CD2-CD2 4.22Å; V20-L33 HydrophobicContact CG1-CD1 4.16Å; I21-L33 HydrophobicContact CD1-CB 3.94Å; I21-L33 HydrophobicContact CG1-CB 4.02Å; I21-L33 HydrophobicContact CG1-CD1 4.19Å; L26-L33 HydrophobicContact CB-CD1 4.42Å; L26-L33 HydrophobicContact CD1-CD1 4.33Å; N29-L33 WeakPolarHBondContact O-CG 3.39Å; N29-L33 PolarHBondContact O-N 3.28Å; V30-L33 PolarHBondContact O-N 3.06Å; L33-V35 VanDerWaalsContact C-N 3.31Å; L33-V35 PolarHBondContact O-N 3.34Å; L33-A36 PolarHBondContact O-N 3.38Å; L33-V37 WeakPolarHBondContact O-CG2 3.33Å; L33-V37 PolarHBondContact O-N 3.33Å
34	A	90.8	Very high	91.1	Very high	51 Å²	51	74.6 Å²	74.6	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-40.3	176.4	0	0	0	0	0	112	V30 A31 V37 Q38	V30-A34 WeakPolarHBondContact O-CB 3.46Å; V30-A34 PolarHBondContact O-N 3.42Å; A31-A34 PolarHBondContact O-N 2.97Å; A34-V37 PolarHBondContact O-N 2.98Å; A34-Q38 PolarHBondContact O-N 2.71Å; A34-Q38 VanDerWaalsContact O-N 3.11Å
35	V	93.9	Very high	91.6	Very high	96 Å²	96	71.9 Å²	71.9	58%	0.582	45%	0.448	S	S	*	.	H	α-helix	trans	-64.2	-46.7	173.4	173.3	0	0	0	0	110.8	A31 V32 L33 V37 Q38 V39	A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.47Å; A31-V35 VanDerWaalsContact O-N 3.1Å; V32-V35 PolarHBondContact O-N 2.96Å; L33-V35 VanDerWaalsContact C-N 3.31Å; L33-V35 PolarHBondContact O-N 3.34Å; V35-V37 VanDerWaalsContact C-N 3.32Å; V35-V37 PolarHBondContact O-N 2.88Å; V35-Q38 PolarHBondContact O-N 2.9Å; V35-Q38 VanDerWaalsContact O-N 3.13Å; V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 VanDerWaalsContact O-CG2 3.31Å; V35-V39 WeakPolarHBondContact O-CG2 3.38Å; V35-V39 PolarHBondContact O-N 2.91Å
36	A	93.2	Very high	92.2	Very high	39 Å²	39	68.5 Å²	68.5	32%	0.322	42%	0.423	S	S	.	.	H	α-helix	trans	-58.8	-42.8	177.9	0	0	0	0	0	112.3	V32 L33 Q38 V39 L40	V32-A36 PolarHBondContact O-N 2.92Å; L33-A36 PolarHBondContact O-N 3.38Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; A36-Q38 PolarHBondContact O-N 3.01Å; A36-V39 PolarHBondContact O-N 3.21Å; A36-L40 WeakPolarHBondContact O-CB 3.44Å; A36-L40 WeakPolarHBondContact O-CG 3.42Å; A36-L40 PolarHBondContact O-N 3.5Å
37	V	94.2	Very high	92.5	Very high	10 Å²	10	68.6 Å²	68.6	6%	0.061	42%	0.424	C	S	.	.	H	α-helix	trans	-57.3	-46.3	174.2	160.9	0	0	0	0	111.1	L14 L17 I21 L33 A34 V35 R41	L14-V37 HydrophobicContact CD2-CB 4.14Å; L14-V37 HydrophobicContact CD2-CG1 4.05Å; L14-V37 HydrophobicContact CD2-CG2 4.13Å; L14-V37 WeakPolarHBondContact CD2-O 3.44Å; L17-V37 HydrophobicContact CB-CG2 3.75Å; L17-V37 HydrophobicContact CD1-CG2 3.92Å; I21-V37 HydrophobicContact CD1-CG2 4.49Å; L33-V37 WeakPolarHBondContact O-CG2 3.33Å; L33-V37 PolarHBondContact O-N 3.33Å; A34-V37 PolarHBondContact O-N 2.98Å; V35-V37 VanDerWaalsContact C-N 3.32Å; V35-V37 PolarHBondContact O-N 2.88Å; V37-R41 VanDerWaalsContact O-CG 3.3Å; V37-R41 WeakPolarHBondContact O-CG 3.4Å; V37-R41 PolarHBondContact O-N 2.99Å; V37-R41 VanDerWaalsContact O-N 3.07Å
38	Q	93.9	Very high	92.6	Very high	103 Å²	103	66.2 Å²	66.2	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-67.5	-42.3	179.5	-172.8	57.1	40.7	0	0	112.1	A34 V35 A36 L40 R41 T42	A34-Q38 PolarHBondContact O-N 2.71Å; A34-Q38 VanDerWaalsContact O-N 3.11Å; V35-Q38 PolarHBondContact O-N 2.9Å; V35-Q38 VanDerWaalsContact O-N 3.13Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; A36-Q38 PolarHBondContact O-N 3.01Å; Q38-L40 PolarHBondContact O-N 2.94Å; Q38-R41 PolarHBondContact O-N 3.2Å; Q38-T42 PolarHBondContact NE2-OG1 3.02Å; Q38-T42 PolarHBondContact O-N 3.28Å; Q38-T42 PolarHBondContact O-OG1 3.28Å
39	V	95.7	Very high	92.7	Very high	90 Å²	90	69.2 Å²	69.2	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-47.1	177.8	169.6	0	0	0	0	110.8	V35 A36 R41 T42 A43	V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 VanDerWaalsContact O-CG2 3.31Å; V35-V39 WeakPolarHBondContact O-CG2 3.38Å; V35-V39 PolarHBondContact O-N 2.91Å; A36-V39 PolarHBondContact O-N 3.21Å; V39-R41 PolarHBondContact O-N 3.32Å; V39-T42 PolarHBondContact O-N 3.09Å; V39-A43 VanDerWaalsContact O-CB 3.23Å; V39-A43 WeakPolarHBondContact O-CB 3.36Å; V39-A43 PolarHBondContact O-N 3.12Å
40	L	95.6	Very high	92.8	Very high	48 Å²	48	67.2 Å²	67.2	25%	0.251	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-41.7	177.8	-74.8	173.1	0	0	0	112	V10 I13 L14 L17 A36 Q38 T42 A43 F44	V10-L40 HydrophobicContact CG1-CB 4.17Å; V10-L40 HydrophobicContact CG1-CD2 4.45Å; I13-L40 HydrophobicContact CG2-CD1 4.48Å; L14-L40 HydrophobicContact CD2-CB 3.81Å; L14-L40 HydrophobicContact CD2-CD1 4.1Å; L17-L40 HydrophobicContact CD1-CD1 4.2Å; A36-L40 WeakPolarHBondContact O-CB 3.44Å; A36-L40 WeakPolarHBondContact O-CG 3.42Å; A36-L40 PolarHBondContact O-N 3.5Å; Q38-L40 PolarHBondContact O-N 2.94Å; L40-T42 PolarHBondContact O-N 3.29Å; L40-A43 PolarHBondContact O-N 3.29Å; L40-F44 HydrophobicContact CD2-CD2 4.39Å; L40-F44 HydrophobicContact CD2-CE2 4.16Å; L40-F44 WeakPolarHBondContact O-CB 3.33Å; L40-F44 WeakPolarHBondContact O-CD2 3.35Å; L40-F44 PolarHBondContact O-N 3.38Å
41	R	94.9	Very high	92.7	Very high	43 Å²	43	69.7 Å²	69.7	16%	0.162	40%	0.403	C	S	.	.	H	α-helix	trans	-59.5	-47.8	176.6	-77	173.7	178.2	174.7	-2.2	112.5	L14 V37 Q38 V39 D45 I46 P48	L14-R41 HydrophobicContact CD1-CG 3.52Å; L14-R41 HydrophobicContact CD2-CG 4.3Å; V37-R41 VanDerWaalsContact O-CG 3.3Å; V37-R41 WeakPolarHBondContact O-CG 3.4Å; V37-R41 PolarHBondContact O-N 2.99Å; V37-R41 VanDerWaalsContact O-N 3.07Å; Q38-R41 PolarHBondContact O-N 3.2Å; V39-R41 PolarHBondContact O-N 3.32Å; R41-D45 WeakPolarHBondContact O-CA 3.43Å; R41-D45 PolarHBondContact O-N 3.33Å; R41-I46 HydrophobicContact CG-CB 4.48Å; R41-I46 PolarHBondContact O-N 3.49Å; R41-P48 VanDerWaalsContact CZ-CG 3.44Å
42	T	95.2	Very high	92.8	Very high	103 Å²	103	72.2 Å²	72.2	63%	0.632	41%	0.406	S	S	*	.	H	α-helix	trans	-69.6	-40.1	179.9	-58.9	0	0	0	0	111.6	Q38 V39 L40 F44	Q38-T42 PolarHBondContact NE2-OG1 3.02Å; Q38-T42 PolarHBondContact O-N 3.28Å; Q38-T42 PolarHBondContact O-OG1 3.28Å; V39-T42 PolarHBondContact O-N 3.09Å; L40-T42 PolarHBondContact O-N 3.29Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 2.66Å
43	A	95.1	Very high	92.8	Very high	65 Å²	65	67.5 Å²	67.5	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-33.9	179.3	0	0	0	0	0	113	V39 L40	V39-A43 VanDerWaalsContact O-CB 3.23Å; V39-A43 WeakPolarHBondContact O-CB 3.36Å; V39-A43 PolarHBondContact O-N 3.12Å; L40-A43 PolarHBondContact O-N 3.29Å
44	F	95.7	Very high	92.7	Very high	58 Å²	58	71 Å²	71	25%	0.254	39%	0.389	S	S	.	.	H	α-helix	trans	-105.5	4.5	-176.5	-73.3	-93.1	0	0	0	114.9	P2 D6 V10 L40 T42 I46	P2-F44 HydrophobicContact CB-CD1 3.8Å; P2-F44 HydrophobicContact CB-CE1 4.37Å; P2-F44 HydrophobicContact CG-CB 4.4Å; P2-F44 HydrophobicContact CG-CD1 3.93Å; P2-F44 HydrophobicContact CG-CG 4.47Å; D6-F44 HydrophobicContact CB-CD1 4.41Å; D6-F44 HydrophobicContact CB-CE1 4.19Å; V10-F44 HydrophobicContact CB-CD1 4.39Å; V10-F44 HydrophobicContact CB-CD2 4.43Å; V10-F44 HydrophobicContact CB-CG 4.2Å; V10-F44 HydrophobicContact CG1-CB 4.24Å; V10-F44 HydrophobicContact CG1-CD2 3.95Å; V10-F44 HydrophobicContact CG1-CG 4.06Å; V10-F44 HydrophobicContact CG2-CD1 3.77Å; V10-F44 HydrophobicContact CG2-CD2 3.96Å; V10-F44 HydrophobicContact CG2-CE1 3.75Å; V10-F44 HydrophobicContact CG2-CE2 3.93Å; V10-F44 HydrophobicContact CG2-CG 3.88Å; V10-F44 HydrophobicContact CG2-CZ 3.83Å; L40-F44 HydrophobicContact CD2-CD2 4.39Å; L40-F44 HydrophobicContact CD2-CE2 4.16Å; L40-F44 WeakPolarHBondContact O-CB 3.33Å; L40-F44 WeakPolarHBondContact O-CD2 3.35Å; L40-F44 PolarHBondContact O-N 3.38Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 2.66Å; F44-I46 HydrophobicContact CB-CD1 3.64Å; F44-I46 HydrophobicContact CB-CG1 3.87Å
45	D	93.9	Very high	92.6	Very high	108 Å²	108	70.5 Å²	70.5	58%	0.578	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	57.4	-177.2	-167.6	35.6	0	0	0	112	R7 R41	R7-D45 PolarHBondContact NE-O 2.92Å; R7-D45 PolarHBondContact NH2-O 2.91Å; R41-D45 WeakPolarHBondContact O-CA 3.43Å; R41-D45 PolarHBondContact O-N 3.33Å
46	I	94.3	Very high	92.3	Very high	12 Å²	12	70.3 Å²	70.3	6%	0.062	40%	0.398	C	S	.	.			trans	-106.7	116.2	-177.1	-65.9	171.1	0	0	0	110	V10 Y11 L14 R41 F44 L53	V10-I46 HydrophobicContact CB-CD1 3.65Å; V10-I46 HydrophobicContact CG1-CD1 3.38Å; Y11-I46 HydrophobicContact CD2-CG2 3.6Å; Y11-I46 HydrophobicContact CE2-CG2 4.26Å; L14-I46 HydrophobicContact CD1-CB 4.3Å; L14-I46 HydrophobicContact CD1-CD1 3.85Å; L14-I46 HydrophobicContact CD1-CG2 3.91Å; R41-I46 HydrophobicContact CG-CB 4.48Å; R41-I46 PolarHBondContact O-N 3.49Å; F44-I46 HydrophobicContact CB-CD1 3.64Å; F44-I46 HydrophobicContact CB-CG1 3.87Å; I46-L53 HydrophobicContact CB-CD1 4.43Å; I46-L53 HydrophobicContact CG1-CD1 4.2Å; I46-L53 HydrophobicContact CG2-CD1 3.94Å
47	D	91.6	Very high	92.2	Very high	81 Å²	81	71.3 Å²	71.3	43%	0.433	40%	0.4	S	S	.	.			trans	-84.9	123.7	164.6	-177.2	-4.1	0	0	0	109.5	Q49 D50	D47-Q49 PolarHBondContact O-N 2.98Å; D47-Q49 VanDerWaalsContact O-N 3.14Å; D47-Q49 PolarHBondContact OD1-N 3.16Å; D47-D50 HydrophobicContact CB-CB 4.17Å; D47-D50 WeakPolarHBondContact O-CB 3.45Å; D47-D50 PolarHBondContact O-N 3.11Å
48	P	86.7	Confident	92	Very high	52 Å²	52	73 Å²	73	34%	0.338	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.4	174.1	-25.5	35.7	0	0	0	114.5	Y11 R41	Y11-P48 PolarHBondContact OH-O 2.99Å; R41-P48 VanDerWaalsContact CZ-CG 3.44Å
49	Q	88.1	Confident	92	Very high	157 Å²	157	70.2 Å²	70.2	73%	0.734	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.5	179.2	-64	176.9	67.2	0	0	113.3	D47 E51	D47-Q49 PolarHBondContact O-N 2.98Å; D47-Q49 VanDerWaalsContact O-N 3.14Å; D47-Q49 PolarHBondContact OD1-N 3.16Å; Q49-E51 PolarHBondContact O-N 3.5Å
50	D	91.4	Very high	91.8	Very high	35 Å²	35	67 Å²	67	19%	0.187	38%	0.382	C	S	.	.			trans	-74.7	91.4	178.1	-170.5	-1.7	0	0	0	111.1	R7 D47 N52 L53	R7-D50 IonicContact NH2-OD2 3.49Å; D47-D50 HydrophobicContact CB-CB 4.17Å; D47-D50 WeakPolarHBondContact O-CB 3.45Å; D47-D50 PolarHBondContact O-N 3.11Å; D50-N52 PolarHBondContact O-N 2.97Å; D50-N52 VanDerWaalsContact O-N 3.14Å; D50-N52 VanDerWaalsContact OD1-CB 3.25Å; D50-N52 WeakPolarHBondContact OD1-CB 3.35Å; D50-N52 PolarHBondContact OD1-N 3.16Å; D50-N52 PolarHBondContact OD1-ND2 3.18Å; D50-L53 HydrophobicContact CB-CD1 4.1Å; D50-L53 HydrophobicContact CB-CG 4.16Å; D50-L53 PolarHBondContact O-N 3.37Å; D50-L53 VanDerWaalsContact O-N 3.09Å
51	E	88.3	Confident	91.5	Very high	106 Å²	106	69.6 Å²	69.6	50%	0.495	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-56.7	-24	176	-63.3	-63.5	151.6	0	0	113.2	Q49 L53 R54	Q49-E51 PolarHBondContact O-N 3.5Å; E51-L53 PolarHBondContact O-N 2.95Å; E51-R54 PolarHBondContact O-N 3.48Å; E51-R54 IonicContact OE1-CZ 2.84Å; E51-R54 IonicContact OE1-NE 3.51Å; E51-R54 IonicContact OE1-NH1 2.69Å; E51-R54 PolarHBondContact OE1-NH1 3.07Å; E51-R54 IonicContact OE1-NH2 3.83Å; E51-R54 PolarHBondContact OE1-NH2 2.86Å; E51-R54 WeakPolarHBondContact OE2-CD 3.34Å; E51-R54 IonicContact OE2-CZ 2.62Å; E51-R54 IonicContact OE2-NE 2.76Å; E51-R54 IonicContact OE2-NH1 2.94Å; E51-R54 PolarHBondContact OE2-NH1 3.32Å; E51-R54 IonicContact OE2-NH2 2.65Å
52	N	91.5	Very high	91.4	Very high	130 Å²	130	71.6 Å²	71.6	70%	0.695	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-70.2	-18	179.5	-54.4	-66.6	0	0	0	112.5	D50	D50-N52 PolarHBondContact O-N 2.97Å; D50-N52 VanDerWaalsContact O-N 3.14Å; D50-N52 VanDerWaalsContact OD1-CB 3.25Å; D50-N52 WeakPolarHBondContact OD1-CB 3.35Å; D50-N52 PolarHBondContact OD1-N 3.16Å; D50-N52 PolarHBondContact OD1-ND2 3.18Å
53	L	92.6	Very high	91.3	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-83.8	-20.3	177.2	-62.2	-179.2	0	0	0	112.8	L4 R7 R8 Y11 I46 D50 E51	L4-L53 HydrophobicContact CD1-CD2 4.18Å; R7-L53 HydrophobicContact CB-CD2 3.75Å; R8-L53 HydrophobicContact CG-CD2 4.02Å; Y11-L53 HydrophobicContact CD1-CB 4.27Å; Y11-L53 HydrophobicContact CD2-CB 3.49Å; Y11-L53 VanDerWaalsContact CD2-CB 3.49Å; Y11-L53 HydrophobicContact CD2-CD1 3.74Å; Y11-L53 HydrophobicContact CD2-CG 4.27Å; Y11-L53 HydrophobicContact CE2-CB 4.06Å; Y11-L53 HydrophobicContact CE2-CD1 4.44Å; Y11-L53 HydrophobicContact CG-CB 3.61Å; Y11-L53 HydrophobicContact CG-CD1 4.44Å; I46-L53 HydrophobicContact CB-CD1 4.43Å; I46-L53 HydrophobicContact CG1-CD1 4.2Å; I46-L53 HydrophobicContact CG2-CD1 3.94Å; D50-L53 HydrophobicContact CB-CD1 4.1Å; D50-L53 HydrophobicContact CB-CG 4.16Å; D50-L53 PolarHBondContact O-N 3.37Å; D50-L53 VanDerWaalsContact O-N 3.09Å; E51-L53 PolarHBondContact O-N 2.95Å
54	R	90.7	Very high	91	Very high	103 Å²	103	76.1 Å²	76.1	39%	0.389	41%	0.407	S	S	.	.			trans	-61.1	145.8	-179.2	-75.9	-173.5	-173.1	151.1	17.6	112.1	R8 Y11 E51	R8-R54 PolarHBondContact NH2-O 3.28Å; Y11-R54 HydrophobicContact CD1-CG 4.34Å; Y11-R54 HydrophobicContact CE1-CB 4.44Å; Y11-R54 HydrophobicContact CE1-CG 3.45Å; Y11-R54 VanDerWaalsContact CE1-CG 3.45Å; Y11-R54 PolarHBondContact OH-NE 3.3Å; Y11-R54 VanDerWaalsContact OH-NE 3.15Å; E51-R54 PolarHBondContact O-N 3.48Å; E51-R54 IonicContact OE1-CZ 2.84Å; E51-R54 IonicContact OE1-NE 3.51Å; E51-R54 IonicContact OE1-NH1 2.69Å; E51-R54 PolarHBondContact OE1-NH1 3.07Å; E51-R54 IonicContact OE1-NH2 3.83Å; E51-R54 PolarHBondContact OE1-NH2 2.86Å; E51-R54 WeakPolarHBondContact OE2-CD 3.34Å; E51-R54 IonicContact OE2-CZ 2.62Å; E51-R54 IonicContact OE2-NE 2.76Å; E51-R54 IonicContact OE2-NH1 2.94Å; E51-R54 PolarHBondContact OE2-NH1 3.32Å; E51-R54 IonicContact OE2-NH2 2.65Å
55	T	87.7	Confident	90.7	Very high	42 Å²	42	81 Å²	81	26%	0.258	42%	0.424	S	S	.	.			trans	-107.2	144.4	173.1	52.7	0	0	0	0	109	S12 V57	S12-T55 PolarHBondContact OG-OG1 3.18Å; T55-V57 WeakPolarHBondContact CB-O 3.48Å; T55-V57 PolarHBondContact O-N 3.19Å; T55-V57 VanDerWaalsContact O-N 3.11Å; T55-V57 PolarHBondContact OG1-O 3.24Å
56	G	88.5	Confident	90.5	Very high	92 Å²	92	78.6 Å²	78.6	95%	0.948	42%	0.419	S	S	*	.	S	Bend	trans	-67.6	-8.3	178.2	0	0	0	0	0	114.2
57	V	90.5	Very high	90.1	Very high	59 Å²	59	81.3 Å²	81.3	36%	0.358	44%	0.436	S	S	.	.	S	Bend	trans	-132.5	139	177.7	-174.3	0	0	0	0	107.9	T55 H61 L62	T55-V57 WeakPolarHBondContact CB-O 3.48Å; T55-V57 PolarHBondContact O-N 3.19Å; T55-V57 VanDerWaalsContact O-N 3.11Å; T55-V57 PolarHBondContact OG1-O 3.24Å; V57-H61 HydrophobicContact CG1-CB 3.84Å; V57-H61 WeakPolarHBondContact CG1-ND1 3.45Å; V57-L62 HydrophobicContact CB-CD2 4.29Å; V57-L62 HydrophobicContact CB-CG 4.27Å; V57-L62 HydrophobicContact CG1-CD2 3.97Å; V57-L62 HydrophobicContact CG1-CG 3.85Å
58	S	90.6	Very high	89.6	Confident	45 Å²	45	79.8 Å²	79.8	32%	0.315	44%	0.435	S	S	.	.			trans	-73.2	154.7	176.8	68.6	0	0	0	0	111.8	S60 H61 L62	S58-S60 VanDerWaalsContact C-N 3.25Å; S58-S60 PolarHBondContact O-N 3.23Å; S58-H61 PolarHBondContact O-N 2.9Å; S58-H61 PolarHBondContact OG-N 3.3Å; S58-L62 PolarHBondContact O-N 3.12Å
59	L	93.4	Very high	89.6	Confident	45 Å²	45	82.6 Å²	82.6	24%	0.236	45%	0.447	C	S	.	.	H	α-helix	trans	-57.8	-39.9	176	-177.2	59.3	0	0	0	111.9	I13 F16 H61 L62 F63	I13-L59 HydrophobicContact CB-CD2 4.37Å; I13-L59 HydrophobicContact CG1-CD2 3.72Å; F16-L59 HydrophobicContact CB-CD2 4.23Å; L59-H61 PolarHBondContact O-N 3.14Å; L59-L62 PolarHBondContact O-N 3.12Å; L59-F63 WeakPolarHBondContact O-CB 2.97Å; L59-F63 PolarHBondContact O-N 3.34Å
60	S	91.1	Very high	89.5	Confident	24 Å²	24	78.1 Å²	78.1	17%	0.168	43%	0.43	C	S	.	.	H	α-helix	trans	-57.8	-48.2	177.4	-51.4	0	0	0	0	111.6	S58 F63 E64	S58-S60 VanDerWaalsContact C-N 3.25Å; S58-S60 PolarHBondContact O-N 3.23Å; S60-F63 PolarHBondContact O-N 2.76Å; S60-E64 WeakPolarHBondContact O-CB 3.27Å; S60-E64 VanDerWaalsContact O-CG 3.27Å; S60-E64 WeakPolarHBondContact O-CG 3.08Å; S60-E64 PolarHBondContact O-N 2.84Å
61	H	90.6	Very high	89.2	Confident	102 Å²	102	82 Å²	82	47%	0.472	45%	0.445	S	S	.	.	H	α-helix	trans	-68.8	-36.6	179.4	-178.8	-90.4	0	0	0	112.4	V57 S58 L59 F63 R65	V57-H61 HydrophobicContact CG1-CB 3.84Å; V57-H61 WeakPolarHBondContact CG1-ND1 3.45Å; S58-H61 PolarHBondContact O-N 2.9Å; S58-H61 PolarHBondContact OG-N 3.3Å; L59-H61 PolarHBondContact O-N 3.14Å; H61-F63 VanDerWaalsContact C-N 3.32Å; H61-R65 WeakPolarHBondContact O-CB 3.24Å; H61-R65 PolarHBondContact O-N 3.04Å
62	L	92.6	Very high	88.9	Confident	84 Å²	84	79.5 Å²	79.5	44%	0.44	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-42.2	172.4	-72	174.4	0	0	0	111.5	V57 S58 L59 R65 A66	V57-L62 HydrophobicContact CB-CD2 4.29Å; V57-L62 HydrophobicContact CB-CG 4.27Å; V57-L62 HydrophobicContact CG1-CD2 3.97Å; V57-L62 HydrophobicContact CG1-CG 3.85Å; S58-L62 PolarHBondContact O-N 3.12Å; L59-L62 PolarHBondContact O-N 3.12Å; L62-R65 PolarHBondContact O-N 3.16Å; L62-A66 WeakPolarHBondContact O-CB 3.41Å; L62-A66 PolarHBondContact O-N 2.91Å
63	F	92.5	Very high	88.7	Confident	142 Å²	142	78.9 Å²	78.9	62%	0.623	43%	0.431	S	S	*	.	H	α-helix	trans	-69.6	-43.2	178.9	-171.3	-99	0	0	0	111.9	L59 S60 H61 R65 A66 V67	L59-F63 WeakPolarHBondContact O-CB 2.97Å; L59-F63 PolarHBondContact O-N 3.34Å; S60-F63 PolarHBondContact O-N 2.76Å; H61-F63 VanDerWaalsContact C-N 3.32Å; F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 2.69Å; F63-A66 PolarHBondContact O-N 3.49Å; F63-A66 VanDerWaalsContact O-N 3.14Å; F63-V67 HydrophobicContact CD1-CG2 3.94Å; F63-V67 HydrophobicContact CE1-CG2 3.56Å; F63-V67 HydrophobicContact CE2-CG2 4.43Å; F63-V67 HydrophobicContact CZ-CG2 3.83Å; F63-V67 WeakPolarHBondContact O-CG2 3.45Å; F63-V67 PolarHBondContact O-N 3.2Å
64	E	88.5	Confident	88.6	Confident	122 Å²	122	83.9 Å²	83.9	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-55.6	-44.5	173.7	-77.1	167.5	-166.5	0	0	111.5	S60 V67 A68	S60-E64 WeakPolarHBondContact O-CB 3.27Å; S60-E64 VanDerWaalsContact O-CG 3.27Å; S60-E64 WeakPolarHBondContact O-CG 3.08Å; S60-E64 PolarHBondContact O-N 2.84Å; E64-V67 PolarHBondContact O-N 3.1Å; E64-A68 VanDerWaalsContact O-CB 3.3Å; E64-A68 WeakPolarHBondContact O-CB 3.31Å; E64-A68 PolarHBondContact O-N 3.46Å
65	R	88.9	Confident	88.6	Confident	160 Å²	160	79.7 Å²	79.7	60%	0.604	44%	0.443	S	S	*	.	H	α-helix	trans	-63.8	-46.7	174.8	-178.5	179	172.3	177.6	0.8	111.9	H61 L62 F63 V67 A68 D69	H61-R65 WeakPolarHBondContact O-CB 3.24Å; H61-R65 PolarHBondContact O-N 3.04Å; L62-R65 PolarHBondContact O-N 3.16Å; F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 2.69Å; R65-V67 VanDerWaalsContact C-N 3.27Å; R65-V67 PolarHBondContact O-N 2.91Å; R65-A68 PolarHBondContact O-N 3.43Å; R65-A68 VanDerWaalsContact O-N 3.11Å; R65-D69 IonicContact NE-OD2 3.13Å; R65-D69 PolarHBondContact O-N 2.98Å
66	A	89.4	Confident	88.9	Confident	57 Å²	57	81.3 Å²	81.3	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-60.3	-38.4	179.4	0	0	0	0	0	112.1	L62 F63	L62-A66 WeakPolarHBondContact O-CB 3.41Å; L62-A66 PolarHBondContact O-N 2.91Å; F63-A66 PolarHBondContact O-N 3.49Å; F63-A66 VanDerWaalsContact O-N 3.14Å
67	V	86.9	Confident	89.2	Confident	70 Å²	70	83.4 Å²	83.4	42%	0.424	44%	0.44	S	S	.	.	H	α-helix	trans	-69	-40.4	173.8	173	0	0	0	0	111.3	F63 E64 R65 D69 V70	F63-V67 HydrophobicContact CD1-CG2 3.94Å; F63-V67 HydrophobicContact CE1-CG2 3.56Å; F63-V67 HydrophobicContact CE2-CG2 4.43Å; F63-V67 HydrophobicContact CZ-CG2 3.83Å; F63-V67 WeakPolarHBondContact O-CG2 3.45Å; F63-V67 PolarHBondContact O-N 3.2Å; E64-V67 PolarHBondContact O-N 3.1Å; R65-V67 VanDerWaalsContact C-N 3.27Å; R65-V67 PolarHBondContact O-N 2.91Å; V67-D69 VanDerWaalsContact C-N 3.31Å; V67-D69 PolarHBondContact O-N 3.21Å; V67-V70 WeakPolarHBondContact O-CB 3.36Å; V67-V70 WeakPolarHBondContact O-CG2 3.35Å; V67-V70 PolarHBondContact O-N 2.87Å
68	A	81.9	Confident	89.5	Confident	49 Å²	49	88.5 Å²	88.5	41%	0.405	46%	0.46	S	S	.	.	H	α-helix	trans	-68.3	-28.3	178.5	0	0	0	0	0	113.6	E64 R65 V70	E64-A68 VanDerWaalsContact O-CB 3.3Å; E64-A68 WeakPolarHBondContact O-CB 3.31Å; E64-A68 PolarHBondContact O-N 3.46Å; R65-A68 PolarHBondContact O-N 3.43Å; R65-A68 VanDerWaalsContact O-N 3.11Å; A68-V70 VanDerWaalsContact C-N 3.26Å
69	D	85.2	Confident	89.6	Confident	110 Å²	110	89.4 Å²	89.4	59%	0.588	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.3	175.7	-72.2	-22	0	0	0	112.4	R65 V67 K71	R65-D69 IonicContact NE-OD2 3.13Å; R65-D69 PolarHBondContact O-N 2.98Å; V67-D69 VanDerWaalsContact C-N 3.31Å; V67-D69 PolarHBondContact O-N 3.21Å; D69-K71 PolarHBondContact O-N 3.27Å
70	V	87	Confident	89.7	Confident	63 Å²	63	89.2 Å²	89.2	38%	0.382	46%	0.458	S	S	.	.	S	Bend	trans	-65.1	120.5	171.7	-178.6	0	0	0	0	108.5	V67 A68 D74 V75	V67-V70 WeakPolarHBondContact O-CB 3.36Å; V67-V70 WeakPolarHBondContact O-CG2 3.35Å; V67-V70 PolarHBondContact O-N 2.87Å; A68-V70 VanDerWaalsContact C-N 3.26Å; V70-D74 HydrophobicContact CG1-CB 4.06Å; V70-V75 HydrophobicContact CG1-CG2 3.84Å
71	K	85.1	Confident	90	Very high	118 Å²	118	90.7 Å²	90.7	51%	0.513	47%	0.472	S	S	.	.			trans	-68.4	148	179.6	-52.1	-174.1	-173.5	172.8	0	110.6	D69 E73 D74 V75	D69-K71 PolarHBondContact O-N 3.27Å; K71-E73 HydrophobicContact CB-CG 3.98Å; K71-E73 WeakPolarHBondContact CB-OE2 3.45Å; K71-E73 HydrophobicContact CD-CG 4.43Å; K71-E73 WeakPolarHBondContact CD-OE1 3.5Å; K71-E73 PolarHBondContact O-N 3.08Å; K71-E73 VanDerWaalsContact O-N 3.11Å; K71-D74 PolarHBondContact O-N 2.99Å; K71-V75 PolarHBondContact O-N 3.22Å
72	P	82.5	Confident	90.3	Very high	52 Å²	52	91.9 Å²	91.9	34%	0.338	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-51.8	-35.8	177.6	-27.7	35.8	0	0	0	113.8	D74 K80	P72-D74 PolarHBondContact O-N 3.4Å; P72-K80 WeakPolarHBondContact O-CE 3.49Å; P72-K80 PolarHBondContact O-NZ 3.36Å; P72-K80 VanDerWaalsContact O-NZ 3.16Å
73	E	86.2	Confident	90.6	Very high	117 Å²	117	87.9 Å²	87.9	55%	0.547	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-64.8	-35.4	176	57.9	-92	-146.2	0	0	113.4	K71 K80	K71-E73 HydrophobicContact CB-CG 3.98Å; K71-E73 WeakPolarHBondContact CB-OE2 3.45Å; K71-E73 HydrophobicContact CD-CG 4.43Å; K71-E73 WeakPolarHBondContact CD-OE1 3.5Å; K71-E73 PolarHBondContact O-N 3.08Å; K71-E73 VanDerWaalsContact O-N 3.11Å; E73-K80 PolarHBondContact O-NZ 3.47Å
74	D	91.2	Very high	90.8	Very high	105 Å²	105	84.3 Å²	84.3	56%	0.561	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-85.5	-8.9	-174.9	-62.9	-41	0	0	0	113	V70 K71 P72 P76	V70-D74 HydrophobicContact CG1-CB 4.06Å; K71-D74 PolarHBondContact O-N 2.99Å; P72-D74 PolarHBondContact O-N 3.4Å; D74-P76 WeakPolarHBondContact O-CD 3.47Å
75	V	91.3	Very high	91.3	Very high	15 Å²	15	80.7 Å²	80.7	9%	0.091	43%	0.431	C	S	.	.	S	Bend	trans	-64.5	128.2	176.1	177.9	0	0	0	0	109.8	V70 K71 L79 K80 H113	V70-V75 HydrophobicContact CG1-CG2 3.84Å; K71-V75 PolarHBondContact O-N 3.22Å; V75-L79 HydrophobicContact CG1-CB 3.88Å; V75-L79 HydrophobicContact CG1-CD1 4.45Å; V75-K80 HydrophobicContact CB-CG 4.32Å; V75-K80 HydrophobicContact CG1-CG 4.04Å; V75-K80 WeakPolarHBondContact O-CE 3.49Å; V75-K80 PolarHBondContact O-NZ 3.4Å; V75-H113 HydrophobicContact CG1-CB 4.32Å
76	P	93.8	Very high	91.7	Very high	76 Å²	76	74.3 Å²	74.3	49%	0.494	41%	0.408	S	S	.	.			trans	-52.4	140.6	177.7	-28.2	33.1	0	0	0	113.3	D74 E78 L79 K80	D74-P76 WeakPolarHBondContact O-CD 3.47Å; P76-E78 PolarHBondContact O-N 3.4Å; P76-L79 HydrophobicContact CB-CG 4.32Å; P76-L79 HydrophobicContact CG-CD1 4.24Å; P76-L79 WeakPolarHBondContact O-CB 3.36Å; P76-L79 PolarHBondContact O-N 3.01Å; P76-K80 PolarHBondContact O-N 2.9Å; P76-K80 VanDerWaalsContact O-N 3.08Å
77	E	94.2	Very high	92.2	Very high	137 Å²	137	72.8 Å²	72.8	64%	0.64	39%	0.391	S	S	*	.	H	α-helix	trans	-59.4	-34.7	-176.3	-168.3	56.9	-149.9	0	0	112.8	L79 K80 A81	E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.49Å; E77-K80 PolarHBondContact O-N 3.08Å; E77-A81 WeakPolarHBondContact O-CB 3.38Å; E77-A81 PolarHBondContact O-N 3.32Å
78	E	95.8	Very high	92.7	Very high	166 Å²	166	73 Å²	73	78%	0.776	39%	0.39	S	S	*	.	H	α-helix	trans	-60.9	-41	174.8	-173.6	-178.2	173.1	0	0	112.3	P76 K82	P76-E78 PolarHBondContact O-N 3.4Å; E78-K82 WeakPolarHBondContact O-CB 2.97Å; E78-K82 PolarHBondContact O-N 3.02Å
79	L	94.5	Very high	93.5	Very high	64 Å²	64	74.4 Å²	74.4	34%	0.335	39%	0.388	S	S	.	.	H	α-helix	trans	-70.7	-38.4	177.3	-63.3	-174.4	0	0	0	111.3	V75 P76 E77 K82 A83 L112	V75-L79 HydrophobicContact CG1-CB 3.88Å; V75-L79 HydrophobicContact CG1-CD1 4.45Å; P76-L79 HydrophobicContact CB-CG 4.32Å; P76-L79 HydrophobicContact CG-CD1 4.24Å; P76-L79 WeakPolarHBondContact O-CB 3.36Å; P76-L79 PolarHBondContact O-N 3.01Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.49Å; L79-K82 PolarHBondContact O-N 3.29Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 2.88Å; L79-L112 HydrophobicContact CD2-CD2 4.42Å
80	K	95.3	Very high	94.1	Very high	41 Å²	41	69.1 Å²	69.1	18%	0.178	36%	0.36	C	S	.	.	H	α-helix	trans	-59.9	-48.1	173.3	-70.9	174.3	175.3	155.2	0	111.3	P72 E73 V75 P76 E77 K82 A83 E84	P72-K80 WeakPolarHBondContact O-CE 3.49Å; P72-K80 PolarHBondContact O-NZ 3.36Å; P72-K80 VanDerWaalsContact O-NZ 3.16Å; E73-K80 PolarHBondContact O-NZ 3.47Å; V75-K80 HydrophobicContact CB-CG 4.32Å; V75-K80 HydrophobicContact CG1-CG 4.04Å; V75-K80 WeakPolarHBondContact O-CE 3.49Å; V75-K80 PolarHBondContact O-NZ 3.4Å; P76-K80 PolarHBondContact O-N 2.9Å; P76-K80 VanDerWaalsContact O-N 3.08Å; E77-K80 PolarHBondContact O-N 3.08Å; K80-K82 PolarHBondContact O-N 2.87Å; K80-A83 WeakPolarHBondContact O-CB 3.48Å; K80-A83 PolarHBondContact O-N 3.36Å; K80-E84 PolarHBondContact O-N 2.96Å
81	A	96.9	Very high	94.7	Very high	55 Å²	55	68.9 Å²	68.9	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-42.8	177.9	0	0	0	0	0	112.2	E77 E84 A85	E77-A81 WeakPolarHBondContact O-CB 3.38Å; E77-A81 PolarHBondContact O-N 3.32Å; A81-E84 PolarHBondContact O-N 2.98Å; A81-A85 PolarHBondContact O-N 3.32Å
82	K	97.7	Very high	95.3	Very high	126 Å²	126	67.7 Å²	67.7	55%	0.548	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-39.4	175.3	-171.6	177.8	178.6	-179.7	0	112.2	E78 L79 K80 A85 L86 L112	E78-K82 WeakPolarHBondContact O-CB 2.97Å; E78-K82 PolarHBondContact O-N 3.02Å; L79-K82 PolarHBondContact O-N 3.29Å; K80-K82 PolarHBondContact O-N 2.87Å; K82-A85 PolarHBondContact O-N 2.98Å; K82-L86 WeakPolarHBondContact O-CG 3.41Å; K82-L86 PolarHBondContact O-N 3.45Å; K82-L86 VanDerWaalsContact O-N 3.08Å; K82-L112 HydrophobicContact CB-CD1 3.92Å; K82-L112 HydrophobicContact CD-CD1 3.71Å; K82-L112 HydrophobicContact CG-CD1 3.59Å
83	A	97.1	Very high	96.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-41.8	175.5	0	0	0	0	0	111.9	L79 K80 A85 L86 K87 A109 L112 H113 Y118	L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 2.88Å; K80-A83 WeakPolarHBondContact O-CB 3.48Å; K80-A83 PolarHBondContact O-N 3.36Å; A83-A85 PolarHBondContact O-N 3.39Å; A83-L86 PolarHBondContact O-N 2.95Å; A83-K87 WeakPolarHBondContact O-CB 3.32Å; A83-K87 PolarHBondContact O-N 3.46Å; A83-A109 HydrophobicContact CB-CB 4.39Å; A83-A109 WeakPolarHBondContact O-CB 3.42Å; A83-L112 HydrophobicContact CB-CB 4Å; A83-L112 HydrophobicContact CB-CD1 4.41Å; A83-H113 HydrophobicContact CB-CB 3.84Å; A83-Y118 HydrophobicContact CB-CE2 3.79Å
84	E	97.6	Very high	96.7	Very high	67 Å²	67	62.9 Å²	62.9	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-40.7	175	-82.7	-63.9	149.4	0	0	112.1	K80 A81 K87 N88 Y118	K80-E84 PolarHBondContact O-N 2.96Å; A81-E84 PolarHBondContact O-N 2.98Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 WeakPolarHBondContact OE2-CE 3.28Å; E84-K87 IonicContact OE2-NZ 2.91Å; E84-K87 PolarHBondContact OE2-NZ 2.87Å; E84-N88 PolarHBondContact O-N 2.93Å; E84-N88 PolarHBondContact O-ND2 3.34Å; E84-Y118 WeakPolarHBondContact CG-OH 3.41Å; E84-Y118 WeakPolarHBondContact OE1-CE1 3.4Å; E84-Y118 PolarHBondContact OE1-OH 2.96Å
85	A	98.4	Very high	97	Very high	46 Å²	46	62.1 Å²	62.1	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-47.8	174	0	0	0	0	0	111.7	A81 K82 A83 K87 N88 E89	A81-A85 PolarHBondContact O-N 3.32Å; K82-A85 PolarHBondContact O-N 2.98Å; A83-A85 PolarHBondContact O-N 3.39Å; A85-K87 VanDerWaalsContact C-N 3.32Å; A85-K87 PolarHBondContact O-N 3.17Å; A85-N88 WeakPolarHBondContact O-CB 3.46Å; A85-N88 PolarHBondContact O-N 3.31Å; A85-N88 VanDerWaalsContact O-N 3.09Å; A85-E89 PolarHBondContact O-N 2.93Å
86	L	98.6	Very high	97.3	Very high	26 Å²	26	69.6 Å²	69.6	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-38.5	175.6	-73	167.5	0	0	0	112.4	K82 A83 N88 E89 G90 K105 A108 A109 L112	K82-L86 WeakPolarHBondContact O-CG 3.41Å; K82-L86 PolarHBondContact O-N 3.45Å; K82-L86 VanDerWaalsContact O-N 3.08Å; A83-L86 PolarHBondContact O-N 2.95Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.95Å; L86-E89 PolarHBondContact O-N 3.21Å; L86-G90 PolarHBondContact O-N 3.05Å; L86-K105 HydrophobicContact CD2-CD 4.29Å; L86-A108 HydrophobicContact CD1-CB 3.89Å; L86-A108 HydrophobicContact CD2-CB 4.31Å; L86-A109 HydrophobicContact CB-CB 3.88Å; L86-L112 HydrophobicContact CD1-CD1 3.69Å
87	K	98.3	Very high	97.5	Very high	25 Å²	25	67.7 Å²	67.7	11%	0.109	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-38.7	174	175.8	-121.5	59.6	-173.4	0	111.2	A83 E84 A85 G90 N91 Y106 A109 Y118	A83-K87 WeakPolarHBondContact O-CB 3.32Å; A83-K87 PolarHBondContact O-N 3.46Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 WeakPolarHBondContact OE2-CE 3.28Å; E84-K87 IonicContact OE2-NZ 2.91Å; E84-K87 PolarHBondContact OE2-NZ 2.87Å; A85-K87 VanDerWaalsContact C-N 3.32Å; A85-K87 PolarHBondContact O-N 3.17Å; K87-G90 PolarHBondContact O-N 2.94Å; K87-N91 PolarHBondContact O-N 3.27Å; K87-N91 PolarHBondContact O-OD1 3.46Å; K87-Y106 HydrophobicContact CB-CD1 4.49Å; K87-Y106 HydrophobicContact CG-CD1 4.26Å; K87-Y106 HydrophobicContact CG-CE1 4.09Å; K87-Y106 WeakPolarHBondContact O-CE1 3.46Å; K87-A109 HydrophobicContact CB-CB 4.42Å; K87-Y118 HydrophobicContact CB-CD1 3.95Å; K87-Y118 HydrophobicContact CB-CE1 3.92Å; K87-Y118 HydrophobicContact CD-CD1 4.02Å; K87-Y118 HydrophobicContact CD-CE1 3.86Å; K87-Y118 HydrophobicContact CG-CD1 3.65Å; K87-Y118 HydrophobicContact CG-CE1 3.86Å
88	N	98.5	Very high	97.6	Very high	75 Å²	75	63.1 Å²	63.1	40%	0.401	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-43.9	174.9	-68.6	-31.7	0	0	0	111.6	E84 A85 L86 G90 N91 D92	E84-N88 PolarHBondContact O-N 2.93Å; E84-N88 PolarHBondContact O-ND2 3.34Å; A85-N88 WeakPolarHBondContact O-CB 3.46Å; A85-N88 PolarHBondContact O-N 3.31Å; A85-N88 VanDerWaalsContact O-N 3.09Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.95Å; N88-G90 VanDerWaalsContact C-N 3.25Å; N88-G90 PolarHBondContact O-N 2.93Å; N88-N91 WeakPolarHBondContact O-CA 3.46Å; N88-N91 WeakPolarHBondContact O-CB 3.41Å; N88-N91 PolarHBondContact O-N 3.32Å; N88-D92 PolarHBondContact O-N 2.93Å
89	E	98.5	Very high	97.8	Very high	78 Å²	78	57.9 Å²	57.9	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-39.3	173.1	-68.6	175.8	-141.7	0	0	111.8	A85 L86 N91 D92 C93 K105	A85-E89 PolarHBondContact O-N 2.93Å; L86-E89 PolarHBondContact O-N 3.21Å; E89-N91 VanDerWaalsContact C-N 3.35Å; E89-D92 PolarHBondContact O-N 3.2Å; E89-C93 PolarHBondContact O-N 3.27Å; E89-C93 PolarHBondContact O-SG 3.46Å; E89-C93 VanDerWaalsContact O-SG 3.34Å; E89-K105 HydrophobicContact CB-CD 4.06Å; E89-K105 HydrophobicContact CB-CG 4.23Å; E89-K105 WeakPolarHBondContact OE2-CD 3.47Å; E89-K105 VanDerWaalsContact OE2-CE 3.25Å; E89-K105 WeakPolarHBondContact OE2-CE 3.45Å; E89-K105 IonicContact OE2-NZ 3.83Å; E89-K105 PolarHBondContact OE2-NZ 2.99Å
90	G	98.6	Very high	98	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-39.1	173.4	0	0	0	0	0	112.9	L86 K87 N88 D92 C93 M94 A102 Y106	L86-G90 PolarHBondContact O-N 3.05Å; K87-G90 PolarHBondContact O-N 2.94Å; N88-G90 VanDerWaalsContact C-N 3.25Å; N88-G90 PolarHBondContact O-N 2.93Å; G90-D92 VanDerWaalsContact C-N 3.34Å; G90-C93 WeakPolarHBondContact O-CB 3.46Å; G90-C93 PolarHBondContact O-N 2.71Å; G90-M94 WeakPolarHBondContact O-CG 3.48Å; G90-M94 PolarHBondContact O-N 3.38Å; G90-A102 WeakPolarHBondContact O-CB 3.37Å; G90-Y106 VanDerWaalsContact C-CZ 3.45Å; G90-Y106 PolarHBondContact O-OH 3.11Å
91	N	98.5	Very high	98.1	Very high	58 Å²	58	59.4 Å²	59.4	31%	0.31	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-39.3	174.6	-68.7	-18.1	0	0	0	111.3	K87 N88 E89 M94 S95 Y106 N121	K87-N91 PolarHBondContact O-N 3.27Å; K87-N91 PolarHBondContact O-OD1 3.46Å; N88-N91 WeakPolarHBondContact O-CA 3.46Å; N88-N91 WeakPolarHBondContact O-CB 3.41Å; N88-N91 PolarHBondContact O-N 3.32Å; E89-N91 VanDerWaalsContact C-N 3.35Å; N91-M94 WeakPolarHBondContact O-CB 3.49Å; N91-M94 PolarHBondContact O-N 3.21Å; N91-S95 PolarHBondContact O-N 3.08Å; N91-Y106 WeakPolarHBondContact CA-OH 3.49Å; N91-Y106 PolarHBondContact N-OH 3.21Å; N91-Y106 VanDerWaalsContact N-OH 3.16Å; N91-Y106 PolarHBondContact OD1-OH 3.31Å; N91-N121 PolarHBondContact OD1-ND2 3.23Å
92	D	98.5	Very high	98.2	Very high	92 Å²	92	56.8 Å²	56.8	49%	0.492	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-46.9	175.4	-64.9	-22.7	0	0	0	110	N88 E89 G90 M94 S95 F96	N88-D92 PolarHBondContact O-N 2.93Å; E89-D92 PolarHBondContact O-N 3.2Å; G90-D92 VanDerWaalsContact C-N 3.34Å; D92-M94 VanDerWaalsContact C-N 3.27Å; D92-M94 PolarHBondContact O-N 2.95Å; D92-S95 WeakPolarHBondContact O-CB 3.4Å; D92-S95 PolarHBondContact O-N 3.45Å; D92-S95 PolarHBondContact O-OG 2.89Å; D92-F96 WeakPolarHBondContact O-CD2 3.47Å; D92-F96 PolarHBondContact O-N 3.45Å; D92-F96 VanDerWaalsContact O-N 3.12Å
93	C	98.5	Very high	98.2	Very high	24 Å²	24	52 Å²	52	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-56	-40.4	173	-68.4	0	0	0	0	112.4	E89 G90 S95 F96 G97 A98 A101 A102	E89-C93 PolarHBondContact O-N 3.27Å; E89-C93 PolarHBondContact O-SG 3.46Å; E89-C93 VanDerWaalsContact O-SG 3.34Å; G90-C93 WeakPolarHBondContact O-CB 3.46Å; G90-C93 PolarHBondContact O-N 2.71Å; C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 3.21Å; C93-F96 PolarHBondContact O-N 3.35Å; C93-G97 PolarHBondContact O-N 3.45Å; C93-A98 HydrophobicContact CB-CB 4.25Å; C93-A98 PolarHBondContact O-N 2.89Å; C93-A101 HydrophobicContact CB-CB 4.26Å; C93-A102 HydrophobicContact CB-CB 3.76Å
94	M	98.1	Very high	98.3	Very high	44 Å²	44	58.5 Å²	58.5	22%	0.217	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-42	174.6	-72.5	-66.4	-71.1	0	0	112.1	G90 N91 D92 F96 G97 F99 A102 Y106 A124 A125	G90-M94 WeakPolarHBondContact O-CG 3.48Å; G90-M94 PolarHBondContact O-N 3.38Å; N91-M94 WeakPolarHBondContact O-CB 3.49Å; N91-M94 PolarHBondContact O-N 3.21Å; D92-M94 VanDerWaalsContact C-N 3.27Å; D92-M94 PolarHBondContact O-N 2.95Å; M94-F96 VanDerWaalsContact C-N 3.25Å; M94-F96 PolarHBondContact O-N 2.87Å; M94-G97 PolarHBondContact O-N 3.01Å; M94-F99 HydrophobicContact CE-CD1 4.23Å; M94-F99 HydrophobicContact CE-CE1 4.31Å; M94-F99 HydrophobicContact SD-CD1 3.75Å; M94-F99 HydrophobicContact SD-CE1 4.3Å; M94-A102 HydrophobicContact CG-CB 3.77Å; M94-A102 HydrophobicContact SD-CB 3.74Å; M94-Y106 HydrophobicContact CG-CE2 4.09Å; M94-Y106 VanDerWaalsContact CG-OH 3.31Å; M94-Y106 WeakPolarHBondContact CG-OH 3.3Å; M94-A124 HydrophobicContact CE-CB 4.17Å; M94-A125 HydrophobicContact CE-CB 4.35Å; M94-A125 HydrophobicContact SD-CB 3.49Å; M94-A125 WeakPolarHBondContact SD-CB 3.47Å
95	S	97.8	Very high	98.3	Very high	89 Å²	89	58.6 Å²	58.6	62%	0.622	33%	0.326	S	S	*	.	H	α-helix	trans	-64.3	-31.7	179.3	79.4	0	0	0	0	112.6	N91 D92 C93 G97	N91-S95 PolarHBondContact O-N 3.08Å; D92-S95 WeakPolarHBondContact O-CB 3.4Å; D92-S95 PolarHBondContact O-N 3.45Å; D92-S95 PolarHBondContact O-OG 2.89Å; C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 3.21Å; S95-G97 VanDerWaalsContact C-N 3.32Å
96	F	97.7	Very high	98.3	Very high	173 Å²	173	56.6 Å²	56.6	76%	0.759	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.1	174.7	-65.7	-62.3	0	0	0	113.9	D92 C93 M94 A98	D92-F96 WeakPolarHBondContact O-CD2 3.47Å; D92-F96 PolarHBondContact O-N 3.45Å; D92-F96 VanDerWaalsContact O-N 3.12Å; C93-F96 PolarHBondContact O-N 3.35Å; M94-F96 VanDerWaalsContact C-N 3.25Å; M94-F96 PolarHBondContact O-N 2.87Å; F96-A98 PolarHBondContact O-N 3.11Å
97	G	97.3	Very high	98.3	Very high	36 Å²	36	57.2 Å²	57.2	37%	0.371	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	11.7	-175.6	0	0	0	0	0	114.3	C93 M94 S95 F99	C93-G97 PolarHBondContact O-N 3.45Å; M94-G97 PolarHBondContact O-N 3.01Å; S95-G97 VanDerWaalsContact C-N 3.32Å; G97-F99 VanDerWaalsContact C-N 3.26Å; G97-F99 WeakPolarHBondContact O-CD2 3.49Å; G97-F99 PolarHBondContact O-N 3.01Å
98	A	98.3	Very high	98.3	Very high	41 Å²	41	57.7 Å²	57.7	34%	0.339	32%	0.322	S	S	.	.			trans	-82.3	68.3	177.5	0	0	0	0	0	110.5	C93 F96 D100 A101 A102	C93-A98 HydrophobicContact CB-CB 4.25Å; C93-A98 PolarHBondContact O-N 2.89Å; F96-A98 PolarHBondContact O-N 3.11Å; A98-D100 PolarHBondContact O-N 2.98Å; A98-A101 HydrophobicContact CB-CB 4.14Å; A98-A101 PolarHBondContact O-N 3.06Å; A98-A102 PolarHBondContact O-N 2.91Å
99	F	98.3	Very high	98.3	Very high	55 Å²	55	54.1 Å²	54.1	24%	0.241	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-40	-169.7	-53.2	-54.4	0	0	0	113.7	M94 G97 A101 A102 V103 K128 L129	M94-F99 HydrophobicContact CE-CD1 4.23Å; M94-F99 HydrophobicContact CE-CE1 4.31Å; M94-F99 HydrophobicContact SD-CD1 3.75Å; M94-F99 HydrophobicContact SD-CE1 4.3Å; G97-F99 VanDerWaalsContact C-N 3.26Å; G97-F99 WeakPolarHBondContact O-CD2 3.49Å; G97-F99 PolarHBondContact O-N 3.01Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.49Å; F99-A102 WeakPolarHBondContact O-CB 3.49Å; F99-A102 PolarHBondContact O-N 2.67Å; F99-V103 WeakPolarHBondContact O-CG2 3.08Å; F99-V103 PolarHBondContact O-N 3.36Å; F99-K128 HydrophobicContact CB-CB 4.38Å; F99-K128 HydrophobicContact CD1-CB 3.7Å; F99-K128 HydrophobicContact CD1-CG 4Å; F99-K128 HydrophobicContact CD2-CB 3.65Å; F99-K128 HydrophobicContact CE1-CB 3.81Å; F99-K128 HydrophobicContact CE1-CD 4.38Å; F99-K128 HydrophobicContact CE1-CG 3.73Å; F99-K128 HydrophobicContact CE2-CB 3.75Å; F99-K128 HydrophobicContact CE2-CG 4.34Å; F99-K128 HydrophobicContact CG-CB 3.63Å; F99-K128 HydrophobicContact CG-CG 4.42Å; F99-K128 HydrophobicContact CZ-CB 3.83Å; F99-K128 HydrophobicContact CZ-CD 4.15Å; F99-K128 HydrophobicContact CZ-CG 3.91Å; F99-L129 HydrophobicContact CB-CD1 4.21Å; F99-L129 HydrophobicContact CB-CD2 3.75Å; F99-L129 HydrophobicContact CB-CG 3.74Å
100	D	98.3	Very high	98.1	Very high	102 Å²	102	50.9 Å²	50.9	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-43.3	175.1	-71.9	-70.8	0	0	0	112	A98 A102 V103 Q104 L129	A98-D100 PolarHBondContact O-N 2.98Å; D100-A102 VanDerWaalsContact C-N 3.34Å; D100-V103 PolarHBondContact O-N 3.14Å; D100-Q104 WeakPolarHBondContact O-CG 3.33Å; D100-Q104 PolarHBondContact O-N 2.83Å; D100-Q104 VanDerWaalsContact O-N 3.08Å; D100-L129 WeakPolarHBondContact OD2-CD2 3.25Å
101	A	98.4	Very high	97.9	Very high	36 Å²	36	56.5 Å²	56.5	30%	0.298	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-40	176.1	0	0	0	0	0	111.2	C93 A98 F99 V103 Q104 K105	C93-A101 HydrophobicContact CB-CB 4.26Å; A98-A101 HydrophobicContact CB-CB 4.14Å; A98-A101 PolarHBondContact O-N 3.06Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.49Å; A101-V103 PolarHBondContact O-N 2.87Å; A101-Q104 WeakPolarHBondContact O-CB 3.39Å; A101-Q104 PolarHBondContact O-N 3.3Å; A101-K105 WeakPolarHBondContact O-CG 3.46Å; A101-K105 PolarHBondContact O-N 3.47Å
102	A	98.6	Very high	97.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-44.8	174.6	0	0	0	0	0	111.6	G90 C93 M94 A98 F99 D100 Q104 K105 Y106 A125	G90-A102 WeakPolarHBondContact O-CB 3.37Å; C93-A102 HydrophobicContact CB-CB 3.76Å; M94-A102 HydrophobicContact CG-CB 3.77Å; M94-A102 HydrophobicContact SD-CB 3.74Å; A98-A102 PolarHBondContact O-N 2.91Å; F99-A102 WeakPolarHBondContact O-CB 3.49Å; F99-A102 PolarHBondContact O-N 2.67Å; D100-A102 VanDerWaalsContact C-N 3.34Å; A102-Q104 VanDerWaalsContact C-N 3.3Å; A102-Q104 PolarHBondContact O-N 3.04Å; A102-K105 PolarHBondContact O-N 3.35Å; A102-Y106 HydrophobicContact CB-CD2 4.37Å; A102-Y106 HydrophobicContact CB-CE2 3.86Å; A102-Y106 WeakPolarHBondContact O-CD2 3.34Å; A102-Y106 PolarHBondContact O-N 3.24Å; A102-A125 HydrophobicContact CB-CB 4.14Å
103	V	98.7	Very high	97.3	Very high	26 Å²	26	52.7 Å²	52.7	16%	0.158	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-43.6	175.5	171.2	0	0	0	0	111.3	F99 D100 A101 T107 R122 A125 L126 L129	F99-V103 WeakPolarHBondContact O-CG2 3.08Å; F99-V103 PolarHBondContact O-N 3.36Å; D100-V103 PolarHBondContact O-N 3.14Å; A101-V103 PolarHBondContact O-N 2.87Å; V103-T107 VanDerWaalsContact O-CB 3.3Å; V103-T107 WeakPolarHBondContact O-CB 3.35Å; V103-T107 PolarHBondContact O-N 2.63Å; V103-T107 PolarHBondContact O-OG1 3.25Å; V103-R122 HydrophobicContact CG1-CG 4.17Å; V103-R122 HydrophobicContact CG2-CG 4.38Å; V103-A125 HydrophobicContact CG2-CB 3.61Å; V103-L126 HydrophobicContact CG1-CD2 4.25Å; V103-L126 HydrophobicContact CG2-CD2 3.96Å; V103-L126 HydrophobicContact CG2-CG 3.99Å; V103-L129 HydrophobicContact CG2-CD1 3.95Å
104	Q	98.5	Very high	97	Very high	135 Å²	135	55.8 Å²	55.8	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-62.2	-44.6	177.4	-68	171.6	22.2	0	0	111.7	D100 A101 A102 T107 A108	D100-Q104 WeakPolarHBondContact O-CG 3.33Å; D100-Q104 PolarHBondContact O-N 2.83Å; D100-Q104 VanDerWaalsContact O-N 3.08Å; A101-Q104 WeakPolarHBondContact O-CB 3.39Å; A101-Q104 PolarHBondContact O-N 3.3Å; A102-Q104 VanDerWaalsContact C-N 3.3Å; A102-Q104 PolarHBondContact O-N 3.04Å; Q104-T107 PolarHBondContact O-N 3.46Å; Q104-A108 PolarHBondContact O-N 3.24Å
105	K	98.6	Very high	96.8	Very high	70 Å²	70	54.3 Å²	54.3	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-44	179.7	-66.3	-64.3	178.7	171.7	0	112.8	L86 E89 A101 A102 T107 A108 A109	L86-K105 HydrophobicContact CD2-CD 4.29Å; E89-K105 HydrophobicContact CB-CD 4.06Å; E89-K105 HydrophobicContact CB-CG 4.23Å; E89-K105 WeakPolarHBondContact OE2-CD 3.47Å; E89-K105 VanDerWaalsContact OE2-CE 3.25Å; E89-K105 WeakPolarHBondContact OE2-CE 3.45Å; E89-K105 IonicContact OE2-NZ 3.83Å; E89-K105 PolarHBondContact OE2-NZ 2.99Å; A101-K105 WeakPolarHBondContact O-CG 3.46Å; A101-K105 PolarHBondContact O-N 3.47Å; A102-K105 PolarHBondContact O-N 3.35Å; K105-T107 VanDerWaalsContact C-N 3.31Å; K105-T107 PolarHBondContact O-N 3.24Å; K105-A108 PolarHBondContact O-N 3.34Å; K105-A109 PolarHBondContact O-N 2.73Å
106	Y	98.6	Very high	96.7	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-33.9	174.7	-60.4	-50.4	0	0	0	112.7	K87 G90 N91 M94 A102 A109 L110 N121 R122 A125	K87-Y106 HydrophobicContact CB-CD1 4.49Å; K87-Y106 HydrophobicContact CG-CD1 4.26Å; K87-Y106 HydrophobicContact CG-CE1 4.09Å; K87-Y106 WeakPolarHBondContact O-CE1 3.46Å; G90-Y106 VanDerWaalsContact C-CZ 3.45Å; G90-Y106 PolarHBondContact O-OH 3.11Å; N91-Y106 WeakPolarHBondContact CA-OH 3.49Å; N91-Y106 PolarHBondContact N-OH 3.21Å; N91-Y106 VanDerWaalsContact N-OH 3.16Å; N91-Y106 PolarHBondContact OD1-OH 3.31Å; M94-Y106 HydrophobicContact CG-CE2 4.09Å; M94-Y106 VanDerWaalsContact CG-OH 3.31Å; M94-Y106 WeakPolarHBondContact CG-OH 3.3Å; A102-Y106 HydrophobicContact CB-CD2 4.37Å; A102-Y106 HydrophobicContact CB-CE2 3.86Å; A102-Y106 WeakPolarHBondContact O-CD2 3.34Å; A102-Y106 PolarHBondContact O-N 3.24Å; Y106-A109 WeakPolarHBondContact O-CB 3.48Å; Y106-A109 PolarHBondContact O-N 3.04Å; Y106-L110 WeakPolarHBondContact O-CB 3.4Å; Y106-L110 WeakPolarHBondContact O-CG 3.3Å; Y106-L110 PolarHBondContact O-N 3.17Å; Y106-N121 HydrophobicContact CD1-CB 3.92Å; Y106-N121 HydrophobicContact CD2-CB 4.24Å; Y106-N121 HydrophobicContact CE1-CB 3.56Å; Y106-N121 HydrophobicContact CE2-CB 3.9Å; Y106-N121 WeakPolarHBondContact CE2-O 3.44Å; Y106-N121 HydrophobicContact CG-CB 4.26Å; Y106-R122 HydrophobicContact CD2-CB 4.08Å; Y106-R122 HydrophobicContact CG-CB 4.25Å; Y106-A125 HydrophobicContact CE2-CB 4.34Å
107	T	98.1	Very high	96.6	Very high	40 Å²	40	46.1 Å²	46.1	25%	0.245	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-47.8	174.5	-59.5	0	0	0	0	110.4	V103 Q104 K105 A109 L110 D111 R122	V103-T107 VanDerWaalsContact O-CB 3.3Å; V103-T107 WeakPolarHBondContact O-CB 3.35Å; V103-T107 PolarHBondContact O-N 2.63Å; V103-T107 PolarHBondContact O-OG1 3.25Å; Q104-T107 PolarHBondContact O-N 3.46Å; K105-T107 VanDerWaalsContact C-N 3.31Å; K105-T107 PolarHBondContact O-N 3.24Å; T107-A109 VanDerWaalsContact C-N 3.25Å; T107-A109 PolarHBondContact O-N 3.35Å; T107-L110 WeakPolarHBondContact O-CB 3.42Å; T107-L110 PolarHBondContact O-N 3.39Å; T107-D111 VanDerWaalsContact O-CG 3.24Å; T107-D111 PolarHBondContact O-N 2.99Å; T107-R122 VanDerWaalsContact OG1-CD 3.28Å; T107-R122 WeakPolarHBondContact OG1-CD 3.36Å; T107-R122 PolarHBondContact OG1-NH1 3.14Å
108	A	97.8	Very high	96.7	Very high	34 Å²	34	44.5 Å²	44.5	28%	0.281	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-34.2	175	0	0	0	0	0	112.7	L86 Q104 K105 L112	L86-A108 HydrophobicContact CD1-CB 3.89Å; L86-A108 HydrophobicContact CD2-CB 4.31Å; Q104-A108 PolarHBondContact O-N 3.24Å; K105-A108 PolarHBondContact O-N 3.34Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å
109	A	97.8	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-42.9	173	0	0	0	0	0	112.1	A83 L86 K87 K105 Y106 T107 D111 L112 H113 Y118	A83-A109 HydrophobicContact CB-CB 4.39Å; A83-A109 WeakPolarHBondContact O-CB 3.42Å; L86-A109 HydrophobicContact CB-CB 3.88Å; K87-A109 HydrophobicContact CB-CB 4.42Å; K105-A109 PolarHBondContact O-N 2.73Å; Y106-A109 WeakPolarHBondContact O-CB 3.48Å; Y106-A109 PolarHBondContact O-N 3.04Å; T107-A109 VanDerWaalsContact C-N 3.25Å; T107-A109 PolarHBondContact O-N 3.35Å; A109-D111 VanDerWaalsContact C-N 3.3Å; A109-D111 PolarHBondContact O-N 3.2Å; A109-L112 PolarHBondContact O-N 2.77Å; A109-L112 VanDerWaalsContact O-N 3.17Å; A109-H113 PolarHBondContact O-N 3.48Å; A109-Y118 HydrophobicContact CB-CD2 3.91Å; A109-Y118 HydrophobicContact CB-CE2 4.22Å; A109-Y118 HydrophobicContact CB-CG 4.38Å
110	L	95.6	Very high	96.6	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-30.1	178.1	-77.5	167.5	0	0	0	113.2	Y106 T107 L112 Y118 Y119	Y106-L110 WeakPolarHBondContact O-CB 3.4Å; Y106-L110 WeakPolarHBondContact O-CG 3.3Å; Y106-L110 PolarHBondContact O-N 3.17Å; T107-L110 WeakPolarHBondContact O-CB 3.42Å; T107-L110 PolarHBondContact O-N 3.39Å; L110-L112 PolarHBondContact O-N 3.1Å; L110-Y118 HydrophobicContact CD2-CD2 4.3Å; L110-Y119 HydrophobicContact CD1-CD1 3.7Å; L110-Y119 HydrophobicContact CD1-CE1 3.71Å; L110-Y119 HydrophobicContact CD1-CG 4.2Å; L110-Y119 HydrophobicContact CD2-CD1 4.08Å; L110-Y119 HydrophobicContact CD2-CD2 3.6Å; L110-Y119 HydrophobicContact CD2-CE1 3.95Å; L110-Y119 HydrophobicContact CD2-CE2 3.44Å; L110-Y119 VanDerWaalsContact CD2-CE2 3.44Å; L110-Y119 HydrophobicContact CD2-CG 3.9Å; L110-Y119 HydrophobicContact CG-CE1 4.44Å
111	D	93.1	Very high	96.6	Very high	119 Å²	119	36.7 Å²	36.7	64%	0.636	19%	0.193	S	C	*	.	H	α-helix	trans	-68.1	-21.7	174.9	-64.1	-25.3	0	0	0	112.3	T107 A109	T107-D111 VanDerWaalsContact O-CG 3.24Å; T107-D111 PolarHBondContact O-N 2.99Å; A109-D111 VanDerWaalsContact C-N 3.3Å; A109-D111 PolarHBondContact O-N 3.2Å
112	L	93.4	Very high	96.6	Very high	44 Å²	44	37 Å²	37	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-96.3	-41.3	177.3	-59.9	179.5	0	0	0	112.8	L79 K82 A83 L86 A108 A109 L110	L79-L112 HydrophobicContact CD2-CD2 4.42Å; K82-L112 HydrophobicContact CB-CD1 3.92Å; K82-L112 HydrophobicContact CD-CD1 3.71Å; K82-L112 HydrophobicContact CG-CD1 3.59Å; A83-L112 HydrophobicContact CB-CB 4Å; A83-L112 HydrophobicContact CB-CD1 4.41Å; L86-L112 HydrophobicContact CD1-CD1 3.69Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å; A109-L112 PolarHBondContact O-N 2.77Å; A109-L112 VanDerWaalsContact O-N 3.17Å; L110-L112 PolarHBondContact O-N 3.1Å
113	H	91.3	Very high	96.6	Very high	25 Å²	25	37.1 Å²	37.1	12%	0.116	19%	0.187	C	C	.	.			trans	-151.6	115.9	-176.8	174.4	-122.8	0	0	0	110	V75 A83 A109 C115 Y118	V75-H113 HydrophobicContact CG1-CB 4.32Å; A83-H113 HydrophobicContact CB-CB 3.84Å; A109-H113 PolarHBondContact O-N 3.48Å; H113-C115 PolarHBondContact O-N 2.91Å; H113-Y118 HydrophobicContact CB-CE2 4.33Å; H113-Y118 AromaticContact ND1-CE2 3.78Å; H113-Y118 VanDerWaalsContact O-CD2 3.24Å; H113-Y118 WeakPolarHBondContact O-CD2 3.25Å; H113-Y118 VanDerWaalsContact O-CE2 3.27Å; H113-Y118 WeakPolarHBondContact O-CE2 3.48Å
114	R	92.3	Very high	96.6	Very high	89 Å²	89	37 Å²	37	34%	0.336	19%	0.189	S	C	.	.			trans	-76.2	109.6	177.9	-63.4	175	69.7	104	-6.1	109.6	Y119 L145	R114-Y119 HydrophobicContact CB-CE2 4.45Å; R114-Y119 PolarHBondContact NH1-OH 3.26Å; R114-Y119 PolarHBondContact NH2-OH 3.29Å; R114-Y119 VanDerWaalsContact NH2-OH 3.12Å; R114-L145 HydrophobicContact CB-CD1 4.1Å
115	C	94.2	Very high	96.5	Very high	14 Å²	14	30.6 Å²	30.6	10%	0.095	16%	0.159	C	C	.	.			trans	-128.9	135.4	-177.6	179.9	0	0	0	0	110.6	H113 I117 Y118 Y119	H113-C115 PolarHBondContact O-N 2.91Å; C115-I117 PolarHBondContact O-N 3.45Å; C115-I117 VanDerWaalsContact O-N 3.14Å; C115-Y118 HydrophobicContact CB-CD1 3.94Å; C115-Y118 HydrophobicContact CB-CD2 3.54Å; C115-Y118 HydrophobicContact CB-CE1 3.95Å; C115-Y118 HydrophobicContact CB-CE2 3.57Å; C115-Y118 HydrophobicContact CB-CG 3.73Å; C115-Y118 PolarHBondContact O-N 3.18Å; C115-Y119 WeakPolarHBondContact O-CD2 3.5Å; C115-Y119 PolarHBondContact O-N 2.94Å
116	P	95.5	Very high	96.5	Very high	21 Å²	21	27.9 Å²	27.9	14%	0.136	15%	0.148	C	C	.	.	H	α-helix	trans	-52.1	-36.7	175.7	-22.4	27.5	0	0	0	113	Y118 C120 A142 L145 D146 Y149	P116-Y118 PolarHBondContact O-N 3.43Å; P116-C120 WeakPolarHBondContact O-CB 3.44Å; P116-C120 PolarHBondContact O-N 3.35Å; P116-A142 HydrophobicContact CB-CB 4.2Å; P116-L145 HydrophobicContact CG-CB 3.82Å; P116-D146 HydrophobicContact CB-CB 4.08Å; P116-D146 HydrophobicContact CG-CB 3.45Å; P116-D146 VanDerWaalsContact CG-CB 3.45Å; P116-Y149 HydrophobicContact CB-CD1 3.67Å; P116-Y149 HydrophobicContact CB-CE1 4.07Å; P116-Y149 HydrophobicContact CB-CG 3.93Å; P116-Y149 VanDerWaalsContact O-CE1 3.27Å; P116-Y149 WeakPolarHBondContact O-CE1 3.49Å
117	I	96.8	Very high	96.5	Very high	69 Å²	69	29.8 Å²	29.8	35%	0.354	16%	0.162	S	C	.	.	H	α-helix	trans	-61	-44.9	179.3	-58.4	174.6	0	0	0	110.9	C115 C120 N121 Y149	C115-I117 PolarHBondContact O-N 3.45Å; C115-I117 VanDerWaalsContact O-N 3.14Å; I117-C120 PolarHBondContact O-N 3.45Å; I117-N121 WeakPolarHBondContact O-CB 3.35Å; I117-N121 VanDerWaalsContact O-CG 3.29Å; I117-N121 PolarHBondContact O-N 3.28Å; I117-N121 PolarHBondContact O-OD1 3.09Å; I117-Y149 WeakPolarHBondContact CA-OH 3.37Å; I117-Y149 HydrophobicContact CG1-CE2 4.15Å
118	Y	97.8	Very high	96.5	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-71.1	-41.4	-174.6	-51.6	-12.4	0	0	0	111	A83 E84 K87 A109 L110 H113 C115 P116 C120 N121 R122	A83-Y118 HydrophobicContact CB-CE2 3.79Å; E84-Y118 WeakPolarHBondContact CG-OH 3.41Å; E84-Y118 WeakPolarHBondContact OE1-CE1 3.4Å; E84-Y118 PolarHBondContact OE1-OH 2.96Å; K87-Y118 HydrophobicContact CB-CD1 3.95Å; K87-Y118 HydrophobicContact CB-CE1 3.92Å; K87-Y118 HydrophobicContact CD-CD1 4.02Å; K87-Y118 HydrophobicContact CD-CE1 3.86Å; K87-Y118 HydrophobicContact CG-CD1 3.65Å; K87-Y118 HydrophobicContact CG-CE1 3.86Å; A109-Y118 HydrophobicContact CB-CD2 3.91Å; A109-Y118 HydrophobicContact CB-CE2 4.22Å; A109-Y118 HydrophobicContact CB-CG 4.38Å; L110-Y118 HydrophobicContact CD2-CD2 4.3Å; H113-Y118 HydrophobicContact CB-CE2 4.33Å; H113-Y118 AromaticContact ND1-CE2 3.78Å; H113-Y118 VanDerWaalsContact O-CD2 3.24Å; H113-Y118 WeakPolarHBondContact O-CD2 3.25Å; H113-Y118 VanDerWaalsContact O-CE2 3.27Å; H113-Y118 WeakPolarHBondContact O-CE2 3.48Å; C115-Y118 HydrophobicContact CB-CD1 3.94Å; C115-Y118 HydrophobicContact CB-CD2 3.54Å; C115-Y118 HydrophobicContact CB-CE1 3.95Å; C115-Y118 HydrophobicContact CB-CE2 3.57Å; C115-Y118 HydrophobicContact CB-CG 3.73Å; C115-Y118 PolarHBondContact O-N 3.18Å; P116-Y118 PolarHBondContact O-N 3.43Å; Y118-C120 VanDerWaalsContact C-N 3.34Å; Y118-C120 PolarHBondContact O-N 3.01Å; Y118-N121 PolarHBondContact O-N 3.14Å; Y118-R122 WeakPolarHBondContact O-CB 3.27Å; Y118-R122 PolarHBondContact O-N 3.27Å
119	Y	98	Very high	96.5	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-48.4	172	-81.8	-63.6	0	0	0	111.6	L110 R114 C115 N121 R122 A123 D138 M141 L145	L110-Y119 HydrophobicContact CD1-CD1 3.7Å; L110-Y119 HydrophobicContact CD1-CE1 3.71Å; L110-Y119 HydrophobicContact CD1-CG 4.2Å; L110-Y119 HydrophobicContact CD2-CD1 4.08Å; L110-Y119 HydrophobicContact CD2-CD2 3.6Å; L110-Y119 HydrophobicContact CD2-CE1 3.95Å; L110-Y119 HydrophobicContact CD2-CE2 3.44Å; L110-Y119 VanDerWaalsContact CD2-CE2 3.44Å; L110-Y119 HydrophobicContact CD2-CG 3.9Å; L110-Y119 HydrophobicContact CG-CE1 4.44Å; R114-Y119 HydrophobicContact CB-CE2 4.45Å; R114-Y119 PolarHBondContact NH1-OH 3.26Å; R114-Y119 PolarHBondContact NH2-OH 3.29Å; R114-Y119 VanDerWaalsContact NH2-OH 3.12Å; C115-Y119 WeakPolarHBondContact O-CD2 3.5Å; C115-Y119 PolarHBondContact O-N 2.94Å; Y119-N121 VanDerWaalsContact C-N 3.35Å; Y119-N121 PolarHBondContact O-N 3.45Å; Y119-R122 PolarHBondContact O-N 3.05Å; Y119-A123 WeakPolarHBondContact O-CB 3.45Å; Y119-A123 PolarHBondContact O-N 2.62Å; Y119-D138 HydrophobicContact CD1-CB 4.27Å; Y119-M141 HydrophobicContact CD1-CB 3.78Å; Y119-M141 HydrophobicContact CD1-CG 4.49Å; Y119-M141 HydrophobicContact CD2-CB 4.12Å; Y119-M141 HydrophobicContact CE1-CB 3.71Å; Y119-M141 HydrophobicContact CE1-CG 4.14Å; Y119-M141 HydrophobicContact CE2-CB 4.05Å; Y119-M141 HydrophobicContact CG-CB 4Å; Y119-L145 HydrophobicContact CD2-CD1 3.87Å; Y119-L145 HydrophobicContact CE2-CD1 3.65Å
120	C	97.6	Very high	96.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-36	178.1	-93.7	0	0	0	0	114	P116 I117 Y118 A123 A124 Y149 A152 R155	P116-C120 WeakPolarHBondContact O-CB 3.44Å; P116-C120 PolarHBondContact O-N 3.35Å; I117-C120 PolarHBondContact O-N 3.45Å; Y118-C120 VanDerWaalsContact C-N 3.34Å; Y118-C120 PolarHBondContact O-N 3.01Å; C120-A123 PolarHBondContact O-N 3.27Å; C120-A124 PolarHBondContact O-N 3.19Å; C120-Y149 HydrophobicContact CB-CE1 3.54Å; C120-Y149 WeakPolarHBondContact SG-CE1 3.3Å; C120-A152 WeakPolarHBondContact SG-CA 3.45Å; C120-R155 WeakPolarHBondContact O-CD 3.39Å; C120-R155 PolarHBondContact O-NE 3.11Å; C120-R155 PolarHBondContact O-NH2 3.02Å
121	N	98.2	Very high	96.5	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-41.1	176.3	-73.9	3.4	0	0	0	110.9	N91 Y106 I117 Y118 Y119 A124 A125	N91-N121 PolarHBondContact OD1-ND2 3.23Å; Y106-N121 HydrophobicContact CD1-CB 3.92Å; Y106-N121 HydrophobicContact CD2-CB 4.24Å; Y106-N121 HydrophobicContact CE1-CB 3.56Å; Y106-N121 HydrophobicContact CE2-CB 3.9Å; Y106-N121 WeakPolarHBondContact CE2-O 3.44Å; Y106-N121 HydrophobicContact CG-CB 4.26Å; I117-N121 WeakPolarHBondContact O-CB 3.35Å; I117-N121 VanDerWaalsContact O-CG 3.29Å; I117-N121 PolarHBondContact O-N 3.28Å; I117-N121 PolarHBondContact O-OD1 3.09Å; Y118-N121 PolarHBondContact O-N 3.14Å; Y119-N121 VanDerWaalsContact C-N 3.35Å; Y119-N121 PolarHBondContact O-N 3.45Å; N121-A124 WeakPolarHBondContact O-CB 3.41Å; N121-A124 PolarHBondContact O-N 3.16Å; N121-A125 PolarHBondContact O-N 3.27Å; N121-A125 VanDerWaalsContact O-N 3.14Å
122	R	98.5	Very high	96.6	Very high	44 Å²	44	41.2 Å²	41.2	17%	0.166	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-41.4	172.2	-165.8	171.8	70.5	177.6	-0.4	112.1	V103 Y106 T107 Y118 Y119 A124 A125 L126 D138	V103-R122 HydrophobicContact CG1-CG 4.17Å; V103-R122 HydrophobicContact CG2-CG 4.38Å; Y106-R122 HydrophobicContact CD2-CB 4.08Å; Y106-R122 HydrophobicContact CG-CB 4.25Å; T107-R122 VanDerWaalsContact OG1-CD 3.28Å; T107-R122 WeakPolarHBondContact OG1-CD 3.36Å; T107-R122 PolarHBondContact OG1-NH1 3.14Å; Y118-R122 WeakPolarHBondContact O-CB 3.27Å; Y118-R122 PolarHBondContact O-N 3.27Å; Y119-R122 PolarHBondContact O-N 3.05Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.39Å; R122-A125 WeakPolarHBondContact O-CB 3.45Å; R122-A125 PolarHBondContact O-N 2.9Å; R122-A125 VanDerWaalsContact O-N 3.12Å; R122-L126 HydrophobicContact CG-CD1 4Å; R122-L126 HydrophobicContact CG-CG 4.33Å; R122-L126 WeakPolarHBondContact O-CB 3.41Å; R122-L126 VanDerWaalsContact O-CG 3.32Å; R122-L126 WeakPolarHBondContact O-CG 3.24Å; R122-L126 PolarHBondContact O-N 3.17Å; R122-D138 WeakPolarHBondContact CB-OD2 3.18Å; R122-D138 WeakPolarHBondContact CG-OD2 3.37Å; R122-D138 IonicContact CZ-OD1 3.7Å; R122-D138 IonicContact CZ-OD2 3.74Å; R122-D138 IonicContact NE-OD1 3.51Å; R122-D138 PolarHBondContact NE-OD1 2.96Å; R122-D138 IonicContact NE-OD2 2.67Å; R122-D138 PolarHBondContact NE-OD2 2.91Å; R122-D138 IonicContact NH2-OD1 2.77Å; R122-D138 PolarHBondContact NH2-OD1 3.38Å; R122-D138 IonicContact NH2-OD2 2.91Å
123	A	98.4	Very high	96.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-41	173.1	0	0	0	0	0	112	Y119 C120 L126 S127 A135 D138	Y119-A123 WeakPolarHBondContact O-CB 3.45Å; Y119-A123 PolarHBondContact O-N 2.62Å; C120-A123 PolarHBondContact O-N 3.27Å; A123-L126 PolarHBondContact O-N 2.65Å; A123-S127 WeakPolarHBondContact O-CB 3.35Å; A123-S127 PolarHBondContact O-N 3.26Å; A123-S127 PolarHBondContact O-OG 3.42Å; A123-A135 HydrophobicContact CB-CB 4.16Å; A123-A135 WeakPolarHBondContact CB-O 3.33Å; A123-A135 WeakPolarHBondContact O-CB 3.32Å; A123-D138 HydrophobicContact CB-CB 3.84Å
124	A	97.8	Very high	97.1	Very high	25 Å²	25	52.5 Å²	52.5	21%	0.207	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-44.6	175.2	0	0	0	0	0	112.1	M94 C120 N121 R122 S127 K128	M94-A124 HydrophobicContact CE-CB 4.17Å; C120-A124 PolarHBondContact O-N 3.19Å; N121-A124 WeakPolarHBondContact O-CB 3.41Å; N121-A124 PolarHBondContact O-N 3.16Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.39Å; A124-S127 PolarHBondContact O-N 3.08Å; A124-K128 WeakPolarHBondContact O-CG 3.25Å; A124-K128 PolarHBondContact O-N 2.86Å
125	A	98.3	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-45.5	177.8	0	0	0	0	0	111.7	M94 A102 V103 Y106 N121 R122 S127 K128 L129	M94-A125 HydrophobicContact CE-CB 4.35Å; M94-A125 HydrophobicContact SD-CB 3.49Å; M94-A125 WeakPolarHBondContact SD-CB 3.47Å; A102-A125 HydrophobicContact CB-CB 4.14Å; V103-A125 HydrophobicContact CG2-CB 3.61Å; Y106-A125 HydrophobicContact CE2-CB 4.34Å; N121-A125 PolarHBondContact O-N 3.27Å; N121-A125 VanDerWaalsContact O-N 3.14Å; R122-A125 WeakPolarHBondContact O-CB 3.45Å; R122-A125 PolarHBondContact O-N 2.9Å; R122-A125 VanDerWaalsContact O-N 3.12Å; A125-S127 VanDerWaalsContact C-N 3.34Å; A125-S127 PolarHBondContact O-N 3.29Å; A125-K128 WeakPolarHBondContact O-CB 3.43Å; A125-K128 PolarHBondContact O-N 3.02Å; A125-K128 VanDerWaalsContact O-N 3.07Å; A125-L129 PolarHBondContact O-N 3.36Å; A125-L129 VanDerWaalsContact O-N 3.16Å
126	L	98.4	Very high	97.5	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-41.8	176.3	-72.2	166.4	0	0	0	111.8	V103 R122 A123 K128 L129 G130 E131 K134 A135 D138	V103-L126 HydrophobicContact CG1-CD2 4.25Å; V103-L126 HydrophobicContact CG2-CD2 3.96Å; V103-L126 HydrophobicContact CG2-CG 3.99Å; R122-L126 HydrophobicContact CG-CD1 4Å; R122-L126 HydrophobicContact CG-CG 4.33Å; R122-L126 WeakPolarHBondContact O-CB 3.41Å; R122-L126 VanDerWaalsContact O-CG 3.32Å; R122-L126 WeakPolarHBondContact O-CG 3.24Å; R122-L126 PolarHBondContact O-N 3.17Å; A123-L126 PolarHBondContact O-N 2.65Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 3.3Å; L126-L129 CarbonylContact O-C 3.53Å; L126-L129 WeakPolarHBondContact O-CA 3.41Å; L126-L129 WeakPolarHBondContact O-CB 3.36Å; L126-L129 PolarHBondContact O-N 3.37Å; L126-G130 PolarHBondContact O-N 2.94Å; L126-E131 HydrophobicContact CB-CB 4.08Å; L126-E131 HydrophobicContact CD2-CB 3.89Å; L126-E131 HydrophobicContact CD2-CG 4.41Å; L126-E131 WeakPolarHBondContact O-CB 3.46Å; L126-E131 PolarHBondContact O-N 3.42Å; L126-K134 HydrophobicContact CD1-CB 3.8Å; L126-K134 HydrophobicContact CD2-CB 4.19Å; L126-K134 HydrophobicContact CD2-CD 4.18Å; L126-K134 HydrophobicContact CG-CB 4.48Å; L126-A135 HydrophobicContact CB-CB 3.95Å; L126-D138 WeakPolarHBondContact CD1-OD2 3.31Å
127	S	97.4	Very high	97.6	Very high	43 Å²	43	52.9 Å²	52.9	30%	0.301	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-33.9	174.8	-71.9	0	0	0	0	112.8	A123 A124 A125 L129 G130 A135	A123-S127 WeakPolarHBondContact O-CB 3.35Å; A123-S127 PolarHBondContact O-N 3.26Å; A123-S127 PolarHBondContact O-OG 3.42Å; A124-S127 PolarHBondContact O-N 3.08Å; A125-S127 VanDerWaalsContact C-N 3.34Å; A125-S127 PolarHBondContact O-N 3.29Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 3.23Å; S127-G130 PolarHBondContact O-N 2.91Å; S127-A135 WeakPolarHBondContact OG-CB 3.47Å
128	K	97.6	Very high	97.6	Very high	141 Å²	141	50 Å²	50	61%	0.613	25%	0.247	S	C	*	.	H	α-helix	trans	-70.3	-25	173.8	-66.7	-66.8	-177.8	-176.5	0	113	F99 A124 A125 L126 G130	F99-K128 HydrophobicContact CB-CB 4.38Å; F99-K128 HydrophobicContact CD1-CB 3.7Å; F99-K128 HydrophobicContact CD1-CG 4Å; F99-K128 HydrophobicContact CD2-CB 3.65Å; F99-K128 HydrophobicContact CE1-CB 3.81Å; F99-K128 HydrophobicContact CE1-CD 4.38Å; F99-K128 HydrophobicContact CE1-CG 3.73Å; F99-K128 HydrophobicContact CE2-CB 3.75Å; F99-K128 HydrophobicContact CE2-CG 4.34Å; F99-K128 HydrophobicContact CG-CB 3.63Å; F99-K128 HydrophobicContact CG-CG 4.42Å; F99-K128 HydrophobicContact CZ-CB 3.83Å; F99-K128 HydrophobicContact CZ-CD 4.15Å; F99-K128 HydrophobicContact CZ-CG 3.91Å; A124-K128 WeakPolarHBondContact O-CG 3.25Å; A124-K128 PolarHBondContact O-N 2.86Å; A125-K128 WeakPolarHBondContact O-CB 3.43Å; A125-K128 PolarHBondContact O-N 3.02Å; A125-K128 VanDerWaalsContact O-N 3.07Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 3.3Å; K128-G130 VanDerWaalsContact C-N 3.33Å
129	L	97.9	Very high	97.6	Very high	61 Å²	61	50 Å²	50	32%	0.319	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.7	173.4	-65.8	170.1	0	0	0	113.4	F99 D100 V103 A125 L126 S127 E131	F99-L129 HydrophobicContact CB-CD1 4.21Å; F99-L129 HydrophobicContact CB-CD2 3.75Å; F99-L129 HydrophobicContact CB-CG 3.74Å; D100-L129 WeakPolarHBondContact OD2-CD2 3.25Å; V103-L129 HydrophobicContact CG2-CD1 3.95Å; A125-L129 PolarHBondContact O-N 3.36Å; A125-L129 VanDerWaalsContact O-N 3.16Å; L126-L129 CarbonylContact O-C 3.53Å; L126-L129 WeakPolarHBondContact O-CA 3.41Å; L126-L129 WeakPolarHBondContact O-CB 3.36Å; L126-L129 PolarHBondContact O-N 3.37Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 3.23Å; L129-E131 HydrophobicContact CB-CG 4.11Å; L129-E131 PolarHBondContact O-N 3.48Å
130	G	96.6	Very high	97.6	Very high	45 Å²	45	54.1 Å²	54.1	46%	0.464	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	7.6	-174.3	0	0	0	0	0	114.2	L126 S127 K128 H132	L126-G130 PolarHBondContact O-N 2.94Å; S127-G130 PolarHBondContact O-N 2.91Å; K128-G130 VanDerWaalsContact C-N 3.33Å; G130-H132 PolarHBondContact O-CD2 3.11Å; G130-H132 PolarHBondContact O-N 3.15Å
131	E	97.3	Very high	97.5	Very high	75 Å²	75	57.5 Å²	57.5	35%	0.35	28%	0.282	S	S	.	.			trans	-84.4	51.8	-177.8	-69.3	-78.8	-163.8	0	0	111.4	L126 L129 R133 K134 A135	L126-E131 HydrophobicContact CB-CB 4.08Å; L126-E131 HydrophobicContact CD2-CB 3.89Å; L126-E131 HydrophobicContact CD2-CG 4.41Å; L126-E131 WeakPolarHBondContact O-CB 3.46Å; L126-E131 PolarHBondContact O-N 3.42Å; L129-E131 HydrophobicContact CB-CG 4.11Å; L129-E131 PolarHBondContact O-N 3.48Å; E131-R133 VanDerWaalsContact C-N 3.29Å; E131-R133 PolarHBondContact O-N 2.98Å; E131-K134 HydrophobicContact CB-CB 4.44Å; E131-K134 HydrophobicContact CB-CD 4.26Å; E131-K134 PolarHBondContact O-N 2.88Å; E131-K134 VanDerWaalsContact O-N 3.1Å; E131-K134 IonicContact OE1-NZ 2.71Å; E131-K134 PolarHBondContact OE1-NZ 2.95Å; E131-K134 WeakPolarHBondContact OE2-CD 3.48Å; E131-K134 WeakPolarHBondContact OE2-CE 3.33Å; E131-K134 IonicContact OE2-NZ 3.9Å; E131-K134 PolarHBondContact OE2-NZ 2.88Å; E131-A135 PolarHBondContact O-N 2.93Å
132	H	95.8	Very high	97.4	Very high	120 Å²	120	56.5 Å²	56.5	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-59.6	-35	-169.5	-57.5	-56.9	0	0	0	113.8	G130 A135 L136	G130-H132 PolarHBondContact O-CD2 3.11Å; G130-H132 PolarHBondContact O-N 3.15Å; H132-A135 PolarHBondContact O-N 3.3Å; H132-L136 WeakPolarHBondContact O-CB 3.29Å; H132-L136 PolarHBondContact O-N 3.15Å
133	R	96.8	Very high	97.3	Very high	204 Å²	204	55.6 Å²	55.6	77%	0.77	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-45.3	176.9	-176.2	177.3	176.6	176.9	1	111.6	E131 A135 L136 D137	E131-R133 VanDerWaalsContact C-N 3.29Å; E131-R133 PolarHBondContact O-N 2.98Å; R133-A135 VanDerWaalsContact C-N 3.34Å; R133-L136 PolarHBondContact O-N 2.87Å; R133-D137 PolarHBondContact O-N 2.95Å
134	K	97.5	Very high	97.1	Very high	103 Å²	103	59.3 Å²	59.3	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-39.4	177.4	-63.4	176.5	-175.9	145.2	0	110.9	L126 E131 L136 D137 D138	L126-K134 HydrophobicContact CD1-CB 3.8Å; L126-K134 HydrophobicContact CD2-CB 4.19Å; L126-K134 HydrophobicContact CD2-CD 4.18Å; L126-K134 HydrophobicContact CG-CB 4.48Å; E131-K134 HydrophobicContact CB-CB 4.44Å; E131-K134 HydrophobicContact CB-CD 4.26Å; E131-K134 PolarHBondContact O-N 2.88Å; E131-K134 VanDerWaalsContact O-N 3.1Å; E131-K134 IonicContact OE1-NZ 2.71Å; E131-K134 PolarHBondContact OE1-NZ 2.95Å; E131-K134 WeakPolarHBondContact OE2-CD 3.48Å; E131-K134 WeakPolarHBondContact OE2-CE 3.33Å; E131-K134 IonicContact OE2-NZ 3.9Å; E131-K134 PolarHBondContact OE2-NZ 2.88Å; K134-L136 VanDerWaalsContact C-N 3.34Å; K134-L136 PolarHBondContact O-N 2.84Å; K134-D137 PolarHBondContact O-N 3.28Å; K134-D138 PolarHBondContact O-N 3Å
135	A	97.8	Very high	96.8	Very high	3 Å²	3	61.2 Å²	61.2	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-41.6	175.4	0	0	0	0	0	112.4	A123 L126 S127 E131 H132 R133 D138 C139	A123-A135 HydrophobicContact CB-CB 4.16Å; A123-A135 WeakPolarHBondContact CB-O 3.33Å; A123-A135 WeakPolarHBondContact O-CB 3.32Å; L126-A135 HydrophobicContact CB-CB 3.95Å; S127-A135 WeakPolarHBondContact OG-CB 3.47Å; E131-A135 PolarHBondContact O-N 2.93Å; H132-A135 PolarHBondContact O-N 3.3Å; R133-A135 VanDerWaalsContact C-N 3.34Å; A135-D138 PolarHBondContact O-N 2.9Å; A135-C139 PolarHBondContact O-N 3.34Å; A135-C139 PolarHBondContact O-SG 3.29Å
136	L	97.4	Very high	96.5	Very high	61 Å²	61	64 Å²	64	32%	0.319	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-43.3	175.6	179.7	64.9	0	0	0	111.6	H132 R133 K134 D138 C139 K140 M156	H132-L136 WeakPolarHBondContact O-CB 3.29Å; H132-L136 PolarHBondContact O-N 3.15Å; R133-L136 PolarHBondContact O-N 2.87Å; K134-L136 VanDerWaalsContact C-N 3.34Å; K134-L136 PolarHBondContact O-N 2.84Å; L136-D138 VanDerWaalsContact C-N 3.34Å; L136-C139 WeakPolarHBondContact O-CB 3.26Å; L136-C139 PolarHBondContact O-N 3.48Å; L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 3.09Å; L136-M156 HydrophobicContact CD1-CB 4.14Å; L136-M156 HydrophobicContact CD1-CE 3.63Å; L136-M156 HydrophobicContact CD1-CG 3.84Å; L136-M156 HydrophobicContact CD1-SD 4.47Å
137	D	97.6	Very high	96.3	Very high	67 Å²	67	67.1 Å²	67.1	36%	0.358	35%	0.348	S	S	.	.	H	α-helix	trans	-64.1	-40.7	177.8	-68.2	-25.2	0	0	0	111.2	R133 K134 C139 K140 M141	R133-D137 PolarHBondContact O-N 2.95Å; K134-D137 PolarHBondContact O-N 3.28Å; D137-C139 VanDerWaalsContact C-N 3.33Å; D137-C139 PolarHBondContact O-N 2.95Å; D137-K140 WeakPolarHBondContact O-CB 3.39Å; D137-K140 PolarHBondContact O-N 3.43Å; D137-K140 IonicContact OD1-NZ 2.88Å; D137-K140 PolarHBondContact OD1-NZ 3Å; D137-M141 WeakPolarHBondContact O-CG 3.35Å; D137-M141 PolarHBondContact O-N 3.41Å
138	D	97.9	Very high	96.2	Very high	10 Å²	10	71.5 Å²	71.5	5%	0.053	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-39.7	171.7	-85.8	-2.5	0	0	0	112.8	Y119 R122 A123 L126 K134 A135 L136 K140 M141 A142	Y119-D138 HydrophobicContact CD1-CB 4.27Å; R122-D138 WeakPolarHBondContact CB-OD2 3.18Å; R122-D138 WeakPolarHBondContact CG-OD2 3.37Å; R122-D138 IonicContact CZ-OD1 3.7Å; R122-D138 IonicContact CZ-OD2 3.74Å; R122-D138 IonicContact NE-OD1 3.51Å; R122-D138 PolarHBondContact NE-OD1 2.96Å; R122-D138 IonicContact NE-OD2 2.67Å; R122-D138 PolarHBondContact NE-OD2 2.91Å; R122-D138 IonicContact NH2-OD1 2.77Å; R122-D138 PolarHBondContact NH2-OD1 3.38Å; R122-D138 IonicContact NH2-OD2 2.91Å; A123-D138 HydrophobicContact CB-CB 3.84Å; L126-D138 WeakPolarHBondContact CD1-OD2 3.31Å; K134-D138 PolarHBondContact O-N 3Å; A135-D138 PolarHBondContact O-N 2.9Å; L136-D138 VanDerWaalsContact C-N 3.34Å; D138-K140 VanDerWaalsContact C-N 3.33Å; D138-K140 PolarHBondContact O-N 3.24Å; D138-M141 PolarHBondContact O-N 3.23Å; D138-A142 PolarHBondContact O-N 2.88Å
139	C	97.5	Very high	95.9	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-39.6	175.9	-64.6	0	0	0	0	111.8	A135 L136 D137 M141 A142 L143 A152 R155 M156	A135-C139 PolarHBondContact O-N 3.34Å; A135-C139 PolarHBondContact O-SG 3.29Å; L136-C139 WeakPolarHBondContact O-CB 3.26Å; L136-C139 PolarHBondContact O-N 3.48Å; D137-C139 VanDerWaalsContact C-N 3.33Å; D137-C139 PolarHBondContact O-N 2.95Å; C139-M141 VanDerWaalsContact C-N 3.33Å; C139-A142 PolarHBondContact O-N 3.36Å; C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.49Å; C139-A152 HydrophobicContact CB-CB 4.39Å; C139-R155 VanDerWaalsContact SG-CB 3.59Å; C139-M156 HydrophobicContact CB-CG 3.44Å; C139-M156 VanDerWaalsContact CB-CG 3.44Å; C139-M156 HydrophobicContact CB-SD 3.91Å
140	K	97.2	Very high	95.6	Very high	99 Å²	99	68 Å²	68	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-40.4	173.7	-64.5	170.9	-166.6	152.9	0	111.5	L136 D137 D138 A142 L143 A144	L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 3.09Å; D137-K140 WeakPolarHBondContact O-CB 3.39Å; D137-K140 PolarHBondContact O-N 3.43Å; D137-K140 IonicContact OD1-NZ 2.88Å; D137-K140 PolarHBondContact OD1-NZ 3Å; D138-K140 VanDerWaalsContact C-N 3.33Å; D138-K140 PolarHBondContact O-N 3.24Å; K140-A142 VanDerWaalsContact C-N 3.33Å; K140-L143 PolarHBondContact O-N 3.31Å; K140-A144 WeakPolarHBondContact O-CB 3.34Å; K140-A144 PolarHBondContact O-N 3.07Å
141	M	95.6	Very high	95.4	Very high	71 Å²	71	72 Å²	72	35%	0.35	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-38.5	176.3	-63.6	-52.2	-68.9	0	0	111.8	Y119 D137 D138 C139 A144 L145	Y119-M141 HydrophobicContact CD1-CB 3.78Å; Y119-M141 HydrophobicContact CD1-CG 4.49Å; Y119-M141 HydrophobicContact CD2-CB 4.12Å; Y119-M141 HydrophobicContact CE1-CB 3.71Å; Y119-M141 HydrophobicContact CE1-CG 4.14Å; Y119-M141 HydrophobicContact CE2-CB 4.05Å; Y119-M141 HydrophobicContact CG-CB 4Å; D137-M141 WeakPolarHBondContact O-CG 3.35Å; D137-M141 PolarHBondContact O-N 3.41Å; D138-M141 PolarHBondContact O-N 3.23Å; C139-M141 VanDerWaalsContact C-N 3.33Å; M141-A144 PolarHBondContact O-N 3.49Å; M141-L145 PolarHBondContact O-N 2.94Å
142	A	96.3	Very high	95.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-46.3	174.3	0	0	0	0	0	111.6	P116 D138 C139 K140 A144 L145 D146 Y149 A152	P116-A142 HydrophobicContact CB-CB 4.2Å; D138-A142 PolarHBondContact O-N 2.88Å; C139-A142 PolarHBondContact O-N 3.36Å; K140-A142 VanDerWaalsContact C-N 3.33Å; A142-A144 VanDerWaalsContact C-N 3.33Å; A142-A144 PolarHBondContact O-N 3.5Å; A142-L145 PolarHBondContact O-N 3.4Å; A142-D146 PolarHBondContact O-N 3.38Å; A142-Y149 HydrophobicContact CB-CD1 4.19Å; A142-A152 HydrophobicContact CB-CB 4.08Å
143	L	95.9	Very high	95	Very high	25 Å²	25	69.3 Å²	69.3	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-69.5	-27.7	178.5	-68.5	173.4	0	0	0	113.6	C139 K140 L145 D146 P147 A152 Y153 M156	C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.49Å; K140-L143 PolarHBondContact O-N 3.31Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-D146 WeakPolarHBondContact CA-O 3.46Å; L143-D146 CarbonylContact O-C 3.4Å; L143-P147 WeakPolarHBondContact O-CA 3.5Å; L143-P147 WeakPolarHBondContact O-CD 3.36Å; L143-P147 WeakPolarHBondContact O-CG 3.23Å; L143-P147 VanDerWaalsContact O-N 3.14Å; L143-A152 HydrophobicContact CD1-CB 4.27Å; L143-A152 HydrophobicContact CD2-CB 3.76Å; L143-A152 HydrophobicContact CG-CB 3.68Å; L143-Y153 HydrophobicContact CD1-CD1 4Å; L143-Y153 HydrophobicContact CD1-CE1 3.64Å; L143-Y153 HydrophobicContact CD1-CE2 4.4Å; L143-Y153 HydrophobicContact CD2-CD2 3.87Å; L143-Y153 HydrophobicContact CD2-CE1 4.16Å; L143-Y153 HydrophobicContact CD2-CE2 3.39Å; L143-Y153 HydrophobicContact CD2-CG 4.43Å; L143-M156 HydrophobicContact CD1-SD 3.71Å
144	A	93.6	Very high	94.6	Very high	80 Å²	80	62.5 Å²	62.5	66%	0.661	34%	0.342	S	S	*	.	H	α-helix	trans	-69.5	-28.3	173.3	0	0	0	0	0	112.3	K140 M141 A142	K140-A144 WeakPolarHBondContact O-CB 3.34Å; K140-A144 PolarHBondContact O-N 3.07Å; M141-A144 PolarHBondContact O-N 3.49Å; A142-A144 VanDerWaalsContact C-N 3.33Å; A142-A144 PolarHBondContact O-N 3.5Å
145	L	91.5	Very high	94.1	Very high	65 Å²	65	61 Å²	61	34%	0.34	33%	0.334	S	S	.	.	H	α-helix	trans	-85.5	-42.2	175.2	-70.5	175.5	0	0	0	112.3	R114 P116 Y119 M141 A142 L143	R114-L145 HydrophobicContact CB-CD1 4.1Å; P116-L145 HydrophobicContact CG-CB 3.82Å; Y119-L145 HydrophobicContact CD2-CD1 3.87Å; Y119-L145 HydrophobicContact CE2-CD1 3.65Å; M141-L145 PolarHBondContact O-N 2.94Å; A142-L145 PolarHBondContact O-N 3.4Å; L143-L145 VanDerWaalsContact C-N 3.28Å
146	D	93	Very high	93.5	Very high	58 Å²	58	64.6 Å²	64.6	31%	0.31	35%	0.351	S	S	.	.			trans	-140.3	96.7	178.1	178	6.1	0	0	0	109.4	P116 A142 L143 D148 Y149	P116-D146 HydrophobicContact CB-CB 4.08Å; P116-D146 HydrophobicContact CG-CB 3.45Å; P116-D146 VanDerWaalsContact CG-CB 3.45Å; A142-D146 PolarHBondContact O-N 3.38Å; L143-D146 WeakPolarHBondContact CA-O 3.46Å; L143-D146 CarbonylContact O-C 3.4Å; D146-D148 PolarHBondContact O-N 2.89Å; D146-D148 VanDerWaalsContact O-N 3.17Å; D146-D148 PolarHBondContact OD1-N 3.33Å; D146-Y149 WeakPolarHBondContact O-CB 3.46Å; D146-Y149 PolarHBondContact O-N 3.45Å; D146-Y149 VanDerWaalsContact O-N 3.11Å; D146-Y149 PolarHBondContact OD1-N 2.98Å
147	P	94.9	Very high	92.6	Very high	79 Å²	79	67.6 Å²	67.6	51%	0.513	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23	177.5	-25.9	35.2	0	0	0	114	L143 Y149 Y153	L143-P147 WeakPolarHBondContact O-CA 3.5Å; L143-P147 WeakPolarHBondContact O-CD 3.36Å; L143-P147 WeakPolarHBondContact O-CG 3.23Å; L143-P147 VanDerWaalsContact O-N 3.14Å; P147-Y149 VanDerWaalsContact C-N 3.32Å; P147-Y153 WeakPolarHBondContact O-CE2 3.43Å; P147-Y153 PolarHBondContact O-OH 3.5Å
148	D	93.7	Very high	92.4	Very high	135 Å²	135	67.7 Å²	67.7	72%	0.722	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	0.2	-178.6	-65.6	-41.9	0	0	0	112.5	D146 C150	D146-D148 PolarHBondContact O-N 2.89Å; D146-D148 VanDerWaalsContact O-N 3.17Å; D146-D148 PolarHBondContact OD1-N 3.33Å; D148-C150 VanDerWaalsContact C-N 3.31Å; D148-C150 PolarHBondContact O-N 3.14Å; D148-C150 PolarHBondContact O-SG 3.44Å; D148-C150 VanDerWaalsContact O-SG 3.34Å
149	Y	93.1	Very high	92.1	Very high	28 Å²	28	70.7 Å²	70.7	11%	0.11	42%	0.417	C	S	.	.			trans	-72.4	83	-177.4	-167.4	-128.4	0	0	0	112.7	P116 I117 C120 A142 D146 P147 K151 A152	P116-Y149 HydrophobicContact CB-CD1 3.67Å; P116-Y149 HydrophobicContact CB-CE1 4.07Å; P116-Y149 HydrophobicContact CB-CG 3.93Å; P116-Y149 VanDerWaalsContact O-CE1 3.27Å; P116-Y149 WeakPolarHBondContact O-CE1 3.49Å; I117-Y149 WeakPolarHBondContact CA-OH 3.37Å; I117-Y149 HydrophobicContact CG1-CE2 4.15Å; C120-Y149 HydrophobicContact CB-CE1 3.54Å; C120-Y149 WeakPolarHBondContact SG-CE1 3.3Å; A142-Y149 HydrophobicContact CB-CD1 4.19Å; D146-Y149 WeakPolarHBondContact O-CB 3.46Å; D146-Y149 PolarHBondContact O-N 3.45Å; D146-Y149 VanDerWaalsContact O-N 3.11Å; D146-Y149 PolarHBondContact OD1-N 2.98Å; P147-Y149 VanDerWaalsContact C-N 3.32Å; Y149-K151 HydrophobicContact CD1-CB 4.38Å; Y149-K151 HydrophobicContact CE1-CB 3.9Å; Y149-K151 HydrophobicContact CE2-CB 4Å; Y149-K151 HydrophobicContact CE2-CD 4.1Å; Y149-K151 HydrophobicContact CE2-CG 4.44Å; Y149-K151 PolarHBondContact O-N 2.99Å; Y149-K151 WeakPolarHBondContact OH-CD 3.43Å; Y149-A152 HydrophobicContact CD1-CB 4.15Å; Y149-A152 WeakPolarHBondContact O-CB 3.44Å; Y149-A152 PolarHBondContact O-N 2.84Å
150	C	91.3	Very high	91.8	Very high	101 Å²	101	74.6 Å²	74.6	68%	0.682	44%	0.44	S	S	*	.	H	α-helix	trans	-51.1	-32.5	-174.2	-67.5	0	0	0	0	114.4	D148 A152 Y153 G154	D148-C150 VanDerWaalsContact C-N 3.31Å; D148-C150 PolarHBondContact O-N 3.14Å; D148-C150 PolarHBondContact O-SG 3.44Å; D148-C150 VanDerWaalsContact O-SG 3.34Å; C150-A152 PolarHBondContact O-N 3.03Å; C150-Y153 PolarHBondContact O-N 2.9Å; C150-G154 PolarHBondContact O-N 3.1Å
151	K	91.1	Very high	91.5	Very high	129 Å²	129	73.2 Å²	73.2	56%	0.561	44%	0.44	S	S	*	.	H	α-helix	trans	-63.8	-21.4	178	-83.8	-178.1	-178.3	176	0	113.6	Y149 R155	Y149-K151 HydrophobicContact CD1-CB 4.38Å; Y149-K151 HydrophobicContact CE1-CB 3.9Å; Y149-K151 HydrophobicContact CE2-CB 4Å; Y149-K151 HydrophobicContact CE2-CD 4.1Å; Y149-K151 HydrophobicContact CE2-CG 4.44Å; Y149-K151 PolarHBondContact O-N 2.99Å; Y149-K151 WeakPolarHBondContact OH-CD 3.43Å; K151-R155 WeakPolarHBondContact O-CG 3.44Å; K151-R155 PolarHBondContact O-NH1 3.37Å
152	A	92.1	Very high	91.2	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-75.9	-47.8	174.2	0	0	0	0	0	111.1	C120 C139 A142 L143 Y149 C150 G154 R155 M156	C120-A152 WeakPolarHBondContact SG-CA 3.45Å; C139-A152 HydrophobicContact CB-CB 4.39Å; A142-A152 HydrophobicContact CB-CB 4.08Å; L143-A152 HydrophobicContact CD1-CB 4.27Å; L143-A152 HydrophobicContact CD2-CB 3.76Å; L143-A152 HydrophobicContact CG-CB 3.68Å; Y149-A152 HydrophobicContact CD1-CB 4.15Å; Y149-A152 WeakPolarHBondContact O-CB 3.44Å; Y149-A152 PolarHBondContact O-N 2.84Å; C150-A152 PolarHBondContact O-N 3.03Å; A152-G154 VanDerWaalsContact C-N 3.3Å; A152-G154 PolarHBondContact O-N 3.13Å; A152-R155 PolarHBondContact O-N 3.4Å; A152-M156 WeakPolarHBondContact O-CG 3.31Å; A152-M156 PolarHBondContact O-N 2.88Å
153	Y	92.6	Very high	90.9	Very high	137 Å²	137	78.2 Å²	78.2	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-56.2	-44.3	176.3	-68.1	-69.3	0	0	0	112.3	L143 P147 C150 R155 M156	L143-Y153 HydrophobicContact CD1-CD1 4Å; L143-Y153 HydrophobicContact CD1-CE1 3.64Å; L143-Y153 HydrophobicContact CD1-CE2 4.4Å; L143-Y153 HydrophobicContact CD2-CD2 3.87Å; L143-Y153 HydrophobicContact CD2-CE1 4.16Å; L143-Y153 HydrophobicContact CD2-CE2 3.39Å; L143-Y153 HydrophobicContact CD2-CG 4.43Å; P147-Y153 WeakPolarHBondContact O-CE2 3.43Å; P147-Y153 PolarHBondContact O-OH 3.5Å; C150-Y153 PolarHBondContact O-N 2.9Å; Y153-R155 PolarHBondContact O-N 3.27Å; Y153-R155 VanDerWaalsContact O-N 3.13Å; Y153-M156 PolarHBondContact O-N 3.05Å; Y153-M156 VanDerWaalsContact O-N 3.09Å
154	G	89.5	Confident	90.5	Very high	61 Å²	61	82 Å²	82	63%	0.629	50%	0.5	S	S	*	.	H	α-helix	trans	-65.2	-13	178.4	0	0	0	0	0	115.2	C150 A152	C150-G154 PolarHBondContact O-N 3.1Å; A152-G154 VanDerWaalsContact C-N 3.3Å; A152-G154 PolarHBondContact O-N 3.13Å
155	R	85.9	Confident	90.3	Very high	72 Å²	72	82.2 Å²	82.2	27%	0.272	49%	0.488	S	S	.	.	H	α-helix	trans	-99.3	-12.4	174.8	-73.2	-177	175.9	93.6	-14.6	113.5	C120 C139 K151 A152 Y153	C120-R155 WeakPolarHBondContact O-CD 3.39Å; C120-R155 PolarHBondContact O-NE 3.11Å; C120-R155 PolarHBondContact O-NH2 3.02Å; C139-R155 VanDerWaalsContact SG-CB 3.59Å; K151-R155 WeakPolarHBondContact O-CG 3.44Å; K151-R155 PolarHBondContact O-NH1 3.37Å; A152-R155 PolarHBondContact O-N 3.4Å; Y153-R155 PolarHBondContact O-N 3.27Å; Y153-R155 VanDerWaalsContact O-N 3.13Å
156	M	86.3	Confident	90.2	Very high	79 Å²	79	83.6 Å²	83.6	39%	0.389	50%	0.5	S	S	.	.	H	α-helix	trans	-86.8	-24	178.5	-66.5	178.5	66.3	0	0	112.9	L136 C139 L143 A152 Y153	L136-M156 HydrophobicContact CD1-CB 4.14Å; L136-M156 HydrophobicContact CD1-CE 3.63Å; L136-M156 HydrophobicContact CD1-CG 3.84Å; L136-M156 HydrophobicContact CD1-SD 4.47Å; C139-M156 HydrophobicContact CB-CG 3.44Å; C139-M156 VanDerWaalsContact CB-CG 3.44Å; C139-M156 HydrophobicContact CB-SD 3.91Å; L143-M156 HydrophobicContact CD1-SD 3.71Å; A152-M156 WeakPolarHBondContact O-CG 3.31Å; A152-M156 PolarHBondContact O-N 2.88Å; Y153-M156 PolarHBondContact O-N 3.05Å; Y153-M156 VanDerWaalsContact O-N 3.09Å
157	G	78.8	Confident	89.9	Confident	124 Å²	124	85.9 Å²	85.9	100%	1.278	52%	0.518	S	S	*	.			trans	-94.3	0	173.9	0	0	0	0	0	112

Retrieved 157 of 157 residues in 100.6 ms (Link to these results)

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