G4VHH2_SCHMA Loading...

Smp_202610

AlphaFold DB , UniProt , Accession G4VHH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 aa.

						>G4VHH2_SCHMA|G4VHH2
MLLALFTLMFIIINVEINSVKSEEYAQMSILNTDQPDCHFLCELCTSTVNATKYILDNEPFIPEILKNFMPICYMLPKLQYRKICYHFVNGGAVDLIHELVNTINENNFCFHLGLCSSTIPCPSFQKTLTYNDLST
					

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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	84.5	Confident	90.7	Very high	202 Å²	202	114.1 Å²	114.1	100%	0.995	59%	0.59	S	S	*	*				0	-55.6	0	-154	165.2	74.2	0	0	111.7	L3 A4 L5	M1-L3 PolarHBondContact O-N 3.19Å; M1-A4 PolarHBondContact O-N 3.5Å; M1-L5 PolarHBondContact O-N 2.82Å
2	L	88	Confident	90.5	Very high	120 Å²	120	113.4 Å²	113.4	63%	0.628	59%	0.586	S	S	*	*	H	α-helix	trans	-59.6	-43.2	-179.6	-160.9	74.6	0	0	0	114.2	A4 L5 F6	L2-A4 VanDerWaalsContact C-N 3.31Å; L2-A4 PolarHBondContact O-N 3.42Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.16Å; L2-F6 HydrophobicContact CD1-CE2 4.32Å; L2-F6 HydrophobicContact CD2-CE2 3.86Å; L2-F6 HydrophobicContact CG-CD2 4.07Å; L2-F6 HydrophobicContact CG-CE2 3.64Å; L2-F6 VanDerWaalsContact O-CD2 3.24Å; L2-F6 WeakPolarHBondContact O-CD2 2.81Å; L2-F6 PolarHBondContact O-N 3.48Å; L2-F6 VanDerWaalsContact O-N 3.08Å
3	L	90.6	Very high	90.1	Very high	147 Å²	147	110.9 Å²	110.9	77%	0.77	57%	0.573	S	S	*	*	H	α-helix	trans	-57.8	-40	176	-80.7	151.2	0	0	0	113.1	M1 L5 F6 T7	M1-L3 PolarHBondContact O-N 3.19Å; L3-L5 VanDerWaalsContact C-N 3.34Å; L3-F6 PolarHBondContact O-N 2.96Å; L3-T7 WeakPolarHBondContact O-CG2 3.36Å; L3-T7 PolarHBondContact O-N 3.44Å; L3-T7 PolarHBondContact O-OG1 3.49Å
4	A	91.5	Very high	89.6	Confident	54 Å²	54	109.1 Å²	109.1	45%	0.446	57%	0.565	S	S	.	*	H	α-helix	trans	-67.9	-35.6	178.7	0	0	0	0	0	111.9	M1 L2 T7 L8	M1-A4 PolarHBondContact O-N 3.5Å; L2-A4 VanDerWaalsContact C-N 3.31Å; L2-A4 PolarHBondContact O-N 3.42Å; A4-T7 WeakPolarHBondContact CA-OG1 3.31Å; A4-T7 PolarHBondContact O-N 2.9Å; A4-T7 PolarHBondContact O-OG1 3.27Å; A4-L8 VanDerWaalsContact O-CG 3.31Å; A4-L8 WeakPolarHBondContact O-CG 2.99Å; A4-L8 PolarHBondContact O-N 3.37Å
5	L	92.8	Very high	89.4	Confident	97 Å²	97	107.9 Å²	107.9	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-66.6	-42.4	174.8	-65.5	172.9	0	0	0	111.3	M1 L2 L3 L8 M9	M1-L5 PolarHBondContact O-N 2.82Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.16Å; L3-L5 VanDerWaalsContact C-N 3.34Å; L5-L8 PolarHBondContact O-N 2.82Å; L5-M9 WeakPolarHBondContact O-CG 3.15Å; L5-M9 PolarHBondContact O-N 3.27Å
6	F	92.4	Very high	88.8	Confident	116 Å²	116	108.6 Å²	108.6	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-60.9	-46.2	174.9	-79.4	-66.9	0	0	0	111.8	L2 L3 L8 M9 F10	L2-F6 HydrophobicContact CD1-CE2 4.32Å; L2-F6 HydrophobicContact CD2-CE2 3.86Å; L2-F6 HydrophobicContact CG-CD2 4.07Å; L2-F6 HydrophobicContact CG-CE2 3.64Å; L2-F6 VanDerWaalsContact O-CD2 3.24Å; L2-F6 WeakPolarHBondContact O-CD2 2.81Å; L2-F6 PolarHBondContact O-N 3.48Å; L2-F6 VanDerWaalsContact O-N 3.08Å; L3-F6 PolarHBondContact O-N 2.96Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.18Å; F6-M9 PolarHBondContact O-N 3.4Å; F6-F10 WeakPolarHBondContact O-CD2 3.21Å; F6-F10 PolarHBondContact O-N 3.37Å
7	T	91.4	Very high	88.1	Confident	79 Å²	79	106.8 Å²	106.8	49%	0.485	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-38.1	177.9	50.9	0	0	0	0	112.5	L3 A4 F10 I11	L3-T7 WeakPolarHBondContact O-CG2 3.36Å; L3-T7 PolarHBondContact O-N 3.44Å; L3-T7 PolarHBondContact O-OG1 3.49Å; A4-T7 WeakPolarHBondContact CA-OG1 3.31Å; A4-T7 PolarHBondContact O-N 2.9Å; A4-T7 PolarHBondContact O-OG1 3.27Å; T7-F10 PolarHBondContact O-N 3.07Å; T7-I11 WeakPolarHBondContact O-CD1 2.96Å; T7-I11 VanDerWaalsContact O-CG1 3.25Å; T7-I11 WeakPolarHBondContact O-CG1 3.49Å; T7-I11 PolarHBondContact O-N 3.48Å
8	L	94.2	Very high	87.3	Confident	99 Å²	99	106.9 Å²	106.9	52%	0.518	56%	0.555	S	S	.	*	H	α-helix	trans	-65.7	-43.4	176.6	-74.2	172.5	0	0	0	111.8	A4 L5 F6 F10 I11 I12	A4-L8 VanDerWaalsContact O-CG 3.31Å; A4-L8 WeakPolarHBondContact O-CG 2.99Å; A4-L8 PolarHBondContact O-N 3.37Å; L5-L8 PolarHBondContact O-N 2.82Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3.18Å; L8-F10 PolarHBondContact O-N 2.91Å; L8-I11 PolarHBondContact O-N 3.34Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.49Å
9	M	90.7	Very high	86.5	Confident	113 Å²	113	104.3 Å²	104.3	56%	0.557	55%	0.547	S	S	*	.	H	α-helix	trans	-62	-43.4	176	-69.4	-64.9	-71.4	0	0	111.6	L5 F6 I11 I12 I13	L5-M9 WeakPolarHBondContact O-CG 3.15Å; L5-M9 PolarHBondContact O-N 3.27Å; F6-M9 PolarHBondContact O-N 3.4Å; M9-I11 VanDerWaalsContact C-N 3.34Å; M9-I11 PolarHBondContact O-N 3Å; M9-I12 PolarHBondContact O-N 3.02Å; M9-I13 WeakPolarHBondContact O-CB 3.33Å; M9-I13 WeakPolarHBondContact O-CD1 3.46Å; M9-I13 WeakPolarHBondContact O-CG1 3.48Å; M9-I13 PolarHBondContact O-N 3.17Å
10	F	91.3	Very high	85.5	Confident	128 Å²	128	103.3 Å²	103.3	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-60.5	-41.7	174.7	-84.6	-70.5	0	0	0	112.1	F6 T7 L8 I13 N14	F6-F10 WeakPolarHBondContact O-CD2 3.21Å; F6-F10 PolarHBondContact O-N 3.37Å; T7-F10 PolarHBondContact O-N 3.07Å; L8-F10 PolarHBondContact O-N 2.91Å; F10-I13 PolarHBondContact O-N 3.23Å; F10-N14 WeakPolarHBondContact O-CB 3Å; F10-N14 PolarHBondContact O-N 3.21Å; F10-N14 PolarHBondContact O-ND2 3.5Å
11	I	90.3	Very high	84.2	Confident	100 Å²	100	103 Å²	103	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-62.4	-47.3	177.1	-68.7	163.7	0	0	0	110.3	T7 L8 M9 I13 N14 V15	T7-I11 WeakPolarHBondContact O-CD1 2.96Å; T7-I11 VanDerWaalsContact O-CG1 3.25Å; T7-I11 WeakPolarHBondContact O-CG1 3.49Å; T7-I11 PolarHBondContact O-N 3.48Å; L8-I11 PolarHBondContact O-N 3.34Å; M9-I11 VanDerWaalsContact C-N 3.34Å; M9-I11 PolarHBondContact O-N 3Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.39Å; I11-N14 PolarHBondContact O-N 3.09Å; I11-V15 HydrophobicContact CG2-CG2 4.28Å; I11-V15 WeakPolarHBondContact O-CB 3.37Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 3.41Å
12	I	88.5	Confident	82.9	Confident	106 Å²	106	97.2 Å²	97.2	54%	0.544	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-45.5	178.8	-65.2	163.5	0	0	0	110.5	L8 M9 N14 V15 E16	L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.49Å; M9-I12 PolarHBondContact O-N 3.02Å; I12-N14 PolarHBondContact O-N 3.06Å; I12-V15 PolarHBondContact O-N 3.47Å; I12-E16 PolarHBondContact O-N 3.34Å
13	I	85.2	Confident	81.5	Confident	81 Å²	81	99.2 Å²	99.2	42%	0.415	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-46.4	177.4	-68	163.6	0	0	0	111.1	M9 F10 I11 V15 E16 I17	M9-I13 WeakPolarHBondContact O-CB 3.33Å; M9-I13 WeakPolarHBondContact O-CD1 3.46Å; M9-I13 WeakPolarHBondContact O-CG1 3.48Å; M9-I13 PolarHBondContact O-N 3.17Å; F10-I13 PolarHBondContact O-N 3.23Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.39Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.1Å; I13-E16 PolarHBondContact O-N 2.94Å; I13-I17 HydrophobicContact CG2-CD1 3.5Å; I13-I17 HydrophobicContact CG2-CG1 4.28Å; I13-I17 WeakPolarHBondContact O-CB 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.02Å
14	N	83.6	Confident	79.7	Confident	85 Å²	85	99 Å²	99	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-66.8	-33	179.4	-76.4	-70.8	0	0	0	112.6	F10 I11 I12 N18	F10-N14 WeakPolarHBondContact O-CB 3Å; F10-N14 PolarHBondContact O-N 3.21Å; F10-N14 PolarHBondContact O-ND2 3.5Å; I11-N14 PolarHBondContact O-N 3.09Å; I12-N14 PolarHBondContact O-N 3.06Å; N14-N18 WeakPolarHBondContact O-CB 3.48Å; N14-N18 PolarHBondContact O-N 3.1Å; N14-N18 VanDerWaalsContact O-N 3.07Å; N14-N18 PolarHBondContact O-ND2 3.35Å; N14-N18 VanDerWaalsContact O-ND2 3.15Å
15	V	86.6	Confident	78	Confident	92 Å²	92	104.3 Å²	104.3	56%	0.558	53%	0.53	S	S	*	.	H	α-helix	trans	-65.9	-47.5	175	169.7	0	0	0	0	110.6	I11 I12 I13 N18 S19	I11-V15 HydrophobicContact CG2-CG2 4.28Å; I11-V15 WeakPolarHBondContact O-CB 3.37Å; I11-V15 VanDerWaalsContact O-CG2 3.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 3.41Å; I12-V15 PolarHBondContact O-N 3.47Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.1Å; V15-N18 PolarHBondContact O-N 3.29Å; V15-S19 PolarHBondContact O-N 3.25Å; V15-S19 VanDerWaalsContact O-N 3.14Å; V15-S19 PolarHBondContact O-OG 3.26Å
16	E	79.2	Confident	76.1	Confident	119 Å²	119	102.7 Å²	102.7	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-66.7	-38.2	178.5	-163.2	63.8	-140.6	0	0	112.2	I12 I13 N18 S19 V20	I12-E16 PolarHBondContact O-N 3.34Å; I13-E16 PolarHBondContact O-N 2.94Å; E16-N18 VanDerWaalsContact C-N 3.29Å; E16-N18 PolarHBondContact O-N 2.03Å; E16-S19 WeakPolarHBondContact CA-OG 3.36Å; E16-S19 PolarHBondContact O-N 3.48Å; E16-S19 PolarHBondContact O-OG 2.79Å; E16-V20 WeakPolarHBondContact O-CG2 3.29Å; E16-V20 PolarHBondContact O-N 3.26Å
17	I	77.4	Confident	74.3	Confident	78 Å²	78	104.4 Å²	104.4	40%	0.4	54%	0.54	S	S	.	.	H	α-helix	trans	-65	-36.4	175.4	-68.7	167.9	0	0	0	111.1	I13 K21	I13-I17 HydrophobicContact CG2-CD1 3.5Å; I13-I17 HydrophobicContact CG2-CG1 4.28Å; I13-I17 WeakPolarHBondContact O-CB 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.02Å; I17-K21 WeakPolarHBondContact O-CG 3.5Å; I17-K21 PolarHBondContact O-N 3.3Å
18	N	74	Confident	72.4	Confident	108 Å²	108	107.5 Å²	107.5	58%	0.578	55%	0.551	S	S	*	*	H	α-helix	trans	-72.5	-32.2	179.8	-74.6	-22.1	0	0	0	112.8	N14 V15 E16	N14-N18 WeakPolarHBondContact O-CB 3.48Å; N14-N18 PolarHBondContact O-N 3.1Å; N14-N18 VanDerWaalsContact O-N 3.07Å; N14-N18 PolarHBondContact O-ND2 3.35Å; N14-N18 VanDerWaalsContact O-ND2 3.15Å; V15-N18 PolarHBondContact O-N 3.29Å; E16-N18 VanDerWaalsContact C-N 3.29Å; E16-N18 PolarHBondContact O-N 2.03Å
19	S	71.3	Confident	70.3	Confident	58 Å²	58	107 Å²	107	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-69.6	-43.9	175.1	49.1	0	0	0	0	111.9	V15 E16 K21 S22	V15-S19 PolarHBondContact O-N 3.25Å; V15-S19 VanDerWaalsContact O-N 3.14Å; V15-S19 PolarHBondContact O-OG 3.26Å; E16-S19 WeakPolarHBondContact CA-OG 3.36Å; E16-S19 PolarHBondContact O-N 3.48Å; E16-S19 PolarHBondContact O-OG 2.79Å; S19-K21 VanDerWaalsContact C-N 3.32Å; S19-K21 PolarHBondContact O-N 3.07Å; S19-S22 PolarHBondContact O-N 3.09Å; S19-S22 PolarHBondContact O-OG 3.42Å
20	V	65.7	Low	68.6	Low	83 Å²	83	108.2 Å²	108.2	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-36.6	-178.2	174.5	0	0	0	0	112.4	E16 S22 E23	E16-V20 WeakPolarHBondContact O-CG2 3.29Å; E16-V20 PolarHBondContact O-N 3.26Å; V20-S22 PolarHBondContact O-N 2.87Å; V20-E23 PolarHBondContact O-N 3.36Å
21	K	60	Low	67	Low	98 Å²	98	106.4 Å²	106.4	43%	0.426	56%	0.558	S	S	.	*	H	α-helix	trans	-59.3	-22.8	180	-77.6	179.9	-178.9	-178.5	0	114	I17 S19 Y25	I17-K21 WeakPolarHBondContact O-CG 3.5Å; I17-K21 PolarHBondContact O-N 3.3Å; S19-K21 VanDerWaalsContact C-N 3.32Å; S19-K21 PolarHBondContact O-N 3.07Å; K21-Y25 HydrophobicContact CB-CE2 3.99Å; K21-Y25 WeakPolarHBondContact O-CD2 3.28Å; K21-Y25 WeakPolarHBondContact O-CE2 3.35Å
22	S	56.8	Low	65.1	Low	81 Å²	81	108.8 Å²	108.8	57%	0.566	57%	0.572	S	S	*	*	H	α-helix	trans	-71.6	-31.2	-175.3	69.4	0	0	0	0	114.4	S19 V20	S19-S22 PolarHBondContact O-N 3.09Å; S19-S22 PolarHBondContact O-OG 3.42Å; V20-S22 PolarHBondContact O-N 2.87Å
23	E	57.4	Low	63.4	Low	162 Å²	162	109.4 Å²	109.4	76%	0.757	58%	0.581	S	S	*	*	H	α-helix	trans	-74.9	-31.4	179.8	-70.5	-177.3	161.5	0	0	112	V20	V20-E23 PolarHBondContact O-N 3.36Å
24	E	53.1	Low	62.1	Low	143 Å²	143	113 Å²	113	67%	0.668	60%	0.601	S	S	*	*	H	α-helix	trans	-73.3	-33.4	-178.8	-119.5	174.8	152.9	0	0	113.1	A26 Q27	E24-A26 VanDerWaalsContact C-N 3.29Å; E24-A26 PolarHBondContact O-N 3.14Å; E24-Q27 PolarHBondContact O-N 3.5Å
25	Y	57.1	Low	60.8	Low	165 Å²	165	114.7 Å²	114.7	65%	0.647	61%	0.606	S	S	*	*	H	α-helix	trans	-70.7	-21.7	178.3	-68.5	-62.5	0	0	0	113.9	K21 Q27 M28	K21-Y25 HydrophobicContact CB-CE2 3.99Å; K21-Y25 WeakPolarHBondContact O-CD2 3.28Å; K21-Y25 WeakPolarHBondContact O-CE2 3.35Å; Y25-Q27 VanDerWaalsContact C-N 3.28Å; Y25-Q27 PolarHBondContact O-N 3.2Å; Y25-M28 PolarHBondContact O-N 2.89Å
26	A	51.5	Low	59.4	Low	63 Å²	63	112 Å²	112	52%	0.521	59%	0.591	S	S	.	*	H	α-helix	trans	-65.1	-33.7	179.9	0	0	0	0	0	111.9	E24 S29	E24-A26 VanDerWaalsContact C-N 3.29Å; E24-A26 PolarHBondContact O-N 3.14Å; A26-S29 PolarHBondContact O-OG 3.16Å
27	Q	55.6	Low	59	Low	151 Å²	151	111.2 Å²	111.2	71%	0.706	59%	0.59	S	S	*	*	H	α-helix	trans	-77.2	-23.9	-175.7	-62.5	-168.2	-46.1	0	0	113.7	E24 Y25 I30	E24-Q27 PolarHBondContact O-N 3.5Å; Y25-Q27 VanDerWaalsContact C-N 3.28Å; Y25-Q27 PolarHBondContact O-N 3.2Å; Q27-I30 WeakPolarHBondContact O-CG1 3.1Å
28	M	51.6	Low	58.8	Low	145 Å²	145	109.4 Å²	109.4	71%	0.714	58%	0.584	S	S	*	*	H	α-helix	trans	-78.4	-28	-176.8	-160.7	70.5	71.3	0	0	112.9	Y25 I30	Y25-M28 PolarHBondContact O-N 2.89Å; M28-I30 VanDerWaalsContact C-N 3.31Å; M28-I30 PolarHBondContact O-N 2.94Å
29	S	50.2	Low	59.2	Low	88 Å²	88	110.2 Å²	110.2	62%	0.615	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-73.4	-16.1	-171.4	67.3	0	0	0	0	115.3	A26 L31	A26-S29 PolarHBondContact O-OG 3.16Å; S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 2.88Å
30	I	55.3	Low	59.8	Low	138 Å²	138	113 Å²	113	71%	0.708	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-79.5	-11.8	-179	29.3	175.8	0	0	0	113.9	Q27 M28	Q27-I30 WeakPolarHBondContact O-CG1 3.1Å; M28-I30 VanDerWaalsContact C-N 3.31Å; M28-I30 PolarHBondContact O-N 2.94Å
31	L	56.6	Low	60.8	Low	90 Å²	90	111 Å²	111	47%	0.471	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-98	15.5	-175.1	-163.4	61.8	0	0	0	114.2	S29 F125	S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 2.88Å; L31-F125 HydrophobicContact CD1-CD1 4.25Å; L31-F125 HydrophobicContact CD1-CE1 3.79Å; L31-F125 HydrophobicContact CD1-CZ 4.45Å; L31-F125 HydrophobicContact CD2-CE1 3.73Å; L31-F125 HydrophobicContact CG-CE1 4.18Å
32	N	50.1	Low	62.1	Low	151 Å²	151	107.8 Å²	107.8	81%	0.807	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-107.5	12.6	179.1	-80.5	-6.2	0	0	0	114.2
33	T	53.7	Low	63.7	Low	118 Å²	118	109 Å²	109	72%	0.724	56%	0.562	S	S	*	*	S	Bend	trans	-83.3	135	169.2	-88.3	0	0	0	0	109.5	Q35	T33-Q35 PolarHBondContact O-N 3.12Å
34	D	56.6	Low	65.3	Low	157 Å²	157	105.3 Å²	105.3	84%	0.84	55%	0.547	S	S	*	.	S	Bend	trans	-23.5	123.9	172.5	-84.2	-40.7	0	0	0	112.7	P36	D34-P36 VanDerWaalsContact O-N 3.14Å
35	Q	56.2	Low	67.3	Low	120 Å²	120	99.1 Å²	99.1	56%	0.561	52%	0.519	S	S	*	.			trans	-6.4	99.7	-179.4	-173.7	173	-53.6	0	0	113.2	T33 D37	T33-Q35 PolarHBondContact O-N 3.12Å; Q35-D37 PolarHBondContact O-N 3.46Å; Q35-D37 VanDerWaalsContact O-N 3.16Å
36	P	58.5	Low	69	Low	36 Å²	36	92.2 Å²	92.2	23%	0.234	49%	0.494	C	S	.	.			trans	-55.6	127.9	-179.6	21	-31.8	0	0	0	109.1	D34 C38 L41	D34-P36 VanDerWaalsContact O-N 3.14Å; P36-C38 PolarHBondContact O-N 3.13Å; P36-L41 HydrophobicContact CB-CD1 4.1Å; P36-L41 HydrophobicContact CB-CD2 4.22Å; P36-L41 HydrophobicContact CB-CG 4.06Å; P36-L41 HydrophobicContact CG-CD1 4Å; P36-L41 HydrophobicContact CG-CG 4.47Å
37	D	69.5	Low	71.1	Confident	102 Å²	102	92.6 Å²	92.6	55%	0.545	49%	0.493	S	S	.	.			trans	-57.5	124.4	176.2	-170.2	-19.8	0	0	0	107.9	Q35 H39 F40 L41	Q35-D37 PolarHBondContact O-N 3.46Å; Q35-D37 VanDerWaalsContact O-N 3.16Å; D37-H39 PolarHBondContact O-N 3.35Å; D37-H39 VanDerWaalsContact O-N 3.15Å; D37-H39 WeakPolarHBondContact OD1-CB 3.42Å; D37-H39 PolarHBondContact OD1-N 2.88Å; D37-F40 HydrophobicContact CB-CB 4.17Å; D37-F40 WeakPolarHBondContact O-CA 3.14Å; D37-F40 VanDerWaalsContact O-CB 3.28Å; D37-F40 WeakPolarHBondContact O-CB 3.45Å; D37-F40 PolarHBondContact O-N 3.35Å; D37-L41 PolarHBondContact O-N 2.97Å
38	C	73.4	Confident	73	Confident	40 Å²	40	89 Å²	89	27%	0.27	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-26.4	-178.6	-36.4	0	0	0	0	111.3	P36 F40 L41 C42 C122	P36-C38 PolarHBondContact O-N 3.13Å; C38-F40 VanDerWaalsContact C-N 3.29Å; C38-L41 PolarHBondContact O-N 2.89Å; C38-C42 VanDerWaalsContact O-CB 3.31Å; C38-C42 WeakPolarHBondContact O-CB 3.48Å; C38-C42 PolarHBondContact O-N 3.34Å; C38-C122 HydrophobicContact CB-CB 4.34Å; C38-C122 WeakPolarHBondContact CB-SG 3.47Å; C38-C122 PolarHBondContact N-SG 2.74Å; C38-C122 VanDerWaalsContact N-SG 3.39Å; C38-C122 WeakPolarHBondContact SG-CA 3.38Å; C38-C122 WeakPolarHBondContact SG-CB 3.37Å; C38-C122 CovalentContact SG-SG 2.03Å; C38-C122 PolarHBondContact SG-SG 3.37Å
39	H	82.1	Confident	75.2	Confident	126 Å²	126	82.9 Å²	82.9	58%	0.583	45%	0.452	S	S	*	.	H	α-helix	trans	-57.1	-48.2	170.5	-178.1	-82.5	0	0	0	110.4	D37 L41 C42 E43	D37-H39 PolarHBondContact O-N 3.35Å; D37-H39 VanDerWaalsContact O-N 3.15Å; D37-H39 WeakPolarHBondContact OD1-CB 3.42Å; D37-H39 PolarHBondContact OD1-N 2.88Å; H39-L41 PolarHBondContact O-N 2.8Å; H39-C42 PolarHBondContact O-N 3.08Å; H39-E43 IonicContact CE1-OE2 3.27Å; H39-E43 PolarHBondContact CE1-OE2 2.91Å; H39-E43 VanDerWaalsContact CE1-OE2 3.27Å; H39-E43 IonicContact ND1-OE2 3.52Å; H39-E43 VanDerWaalsContact O-CB 3.31Å; H39-E43 WeakPolarHBondContact O-CB 3.37Å; H39-E43 PolarHBondContact O-N 2.89Å
40	F	84.8	Confident	77.3	Confident	116 Å²	116	81.6 Å²	81.6	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-62.6	-42.9	177.9	176	-99.9	0	0	0	112.2	D37 C38 E43 L44	D37-F40 HydrophobicContact CB-CB 4.17Å; D37-F40 WeakPolarHBondContact O-CA 3.14Å; D37-F40 VanDerWaalsContact O-CB 3.28Å; D37-F40 WeakPolarHBondContact O-CB 3.45Å; D37-F40 PolarHBondContact O-N 3.35Å; C38-F40 VanDerWaalsContact C-N 3.29Å; F40-E43 PolarHBondContact O-N 2.93Å; F40-L44 HydrophobicContact CE1-CD2 4.23Å; F40-L44 HydrophobicContact CZ-CD2 4.49Å; F40-L44 WeakPolarHBondContact O-CB 3.06Å; F40-L44 PolarHBondContact O-N 3.41Å
41	L	86	Confident	79.2	Confident	41 Å²	41	77.3 Å²	77.3	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-65	-41.1	177.4	-69.4	176.4	0	0	0	112.6	P36 D37 C38 H39 C45	P36-L41 HydrophobicContact CB-CD1 4.1Å; P36-L41 HydrophobicContact CB-CD2 4.22Å; P36-L41 HydrophobicContact CB-CG 4.06Å; P36-L41 HydrophobicContact CG-CD1 4Å; P36-L41 HydrophobicContact CG-CG 4.47Å; D37-L41 PolarHBondContact O-N 2.97Å; C38-L41 PolarHBondContact O-N 2.89Å; H39-L41 PolarHBondContact O-N 2.8Å; L41-C45 WeakPolarHBondContact O-CB 3.41Å; L41-C45 PolarHBondContact O-N 2.95Å
42	C	88.9	Confident	80.9	Confident	31 Å²	31	76.2 Å²	76.2	21%	0.209	42%	0.421	C	S	.	.	H	α-helix	trans	-62.7	-48	175.5	179.1	0	0	0	0	110.8	C38 H39 L44 C45 T46 L115 C116	C38-C42 VanDerWaalsContact O-CB 3.31Å; C38-C42 WeakPolarHBondContact O-CB 3.48Å; C38-C42 PolarHBondContact O-N 3.34Å; H39-C42 PolarHBondContact O-N 3.08Å; C42-L44 PolarHBondContact O-N 3.43Å; C42-C45 WeakPolarHBondContact O-CB 3.06Å; C42-C45 PolarHBondContact O-N 3.24Å; C42-T46 WeakPolarHBondContact O-CG2 3.46Å; C42-T46 PolarHBondContact O-N 3.34Å; C42-T46 PolarHBondContact O-OG1 3.43Å; C42-L115 WeakPolarHBondContact CA-O 3.34Å; C42-L115 VanDerWaalsContact CB-O 3.32Å; C42-L115 WeakPolarHBondContact CB-O 3.49Å; C42-C116 WeakPolarHBondContact CA-SG 3.24Å; C42-C116 HydrophobicContact CB-CB 4.01Å; C42-C116 WeakPolarHBondContact CB-SG 3.25Å; C42-C116 WeakPolarHBondContact SG-CB 3.34Å; C42-C116 CovalentContact SG-SG 2.04Å; C42-C116 PolarHBondContact SG-SG 3.48Å
43	E	90	Very high	82.9	Confident	105 Å²	105	70.5 Å²	70.5	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-41.6	178.3	-172.6	174.1	-174.7	0	0	112.1	H39 F40 C45 T46 S47	H39-E43 IonicContact CE1-OE2 3.27Å; H39-E43 PolarHBondContact CE1-OE2 2.91Å; H39-E43 VanDerWaalsContact CE1-OE2 3.27Å; H39-E43 IonicContact ND1-OE2 3.52Å; H39-E43 VanDerWaalsContact O-CB 3.31Å; H39-E43 WeakPolarHBondContact O-CB 3.37Å; H39-E43 PolarHBondContact O-N 2.89Å; F40-E43 PolarHBondContact O-N 2.93Å; E43-C45 VanDerWaalsContact C-N 3.33Å; E43-C45 PolarHBondContact O-N 3.24Å; E43-T46 WeakPolarHBondContact CA-OG1 3.47Å; E43-T46 PolarHBondContact O-N 3.33Å; E43-T46 PolarHBondContact O-OG1 3.27Å; E43-T46 VanDerWaalsContact O-OG1 3.08Å; E43-S47 WeakPolarHBondContact O-CB 3.44Å; E43-S47 PolarHBondContact O-N 2.85Å
44	L	91.3	Very high	84.7	Confident	86 Å²	86	72.1 Å²	72.1	45%	0.45	38%	0.383	S	S	.	.	H	α-helix	trans	-62.4	-43.6	175	-178.4	62.5	0	0	0	110.9	F40 C42 T48	F40-L44 HydrophobicContact CE1-CD2 4.23Å; F40-L44 HydrophobicContact CZ-CD2 4.49Å; F40-L44 WeakPolarHBondContact O-CB 3.06Å; F40-L44 PolarHBondContact O-N 3.41Å; C42-L44 PolarHBondContact O-N 3.43Å; L44-T48 VanDerWaalsContact O-CB 3.28Å; L44-T48 WeakPolarHBondContact O-CB 3.35Å; L44-T48 PolarHBondContact O-N 2.86Å; L44-T48 PolarHBondContact O-OG1 3.4Å
45	C	93.4	Very high	86.3	Confident	13 Å²	13	68.4 Å²	68.4	9%	0.088	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-51.7	176.6	179.8	0	0	0	0	111.3	L41 C42 E43 S47 T48 V49 C110 L115	L41-C45 WeakPolarHBondContact O-CB 3.41Å; L41-C45 PolarHBondContact O-N 2.95Å; C42-C45 WeakPolarHBondContact O-CB 3.06Å; C42-C45 PolarHBondContact O-N 3.24Å; E43-C45 VanDerWaalsContact C-N 3.33Å; E43-C45 PolarHBondContact O-N 3.24Å; C45-S47 VanDerWaalsContact C-N 3.32Å; C45-S47 PolarHBondContact O-N 2.97Å; C45-T48 WeakPolarHBondContact O-CB 3.49Å; C45-T48 PolarHBondContact O-N 2.94Å; C45-T48 VanDerWaalsContact O-N 3.08Å; C45-V49 WeakPolarHBondContact O-CG2 3.33Å; C45-V49 PolarHBondContact O-N 3.46Å; C45-C110 HydrophobicContact CB-CB 3.77Å; C45-C110 WeakPolarHBondContact CB-SG 3.35Å; C45-C110 WeakPolarHBondContact SG-CA 3.4Å; C45-C110 WeakPolarHBondContact SG-CB 3.3Å; C45-C110 CovalentContact SG-SG 2.03Å; C45-C110 PolarHBondContact SG-SG 3.05Å; C45-L115 HydrophobicContact CB-CB 4.14Å; C45-L115 HydrophobicContact CB-CD1 3.77Å
46	T	94.4	Very high	87.8	Confident	20 Å²	20	65 Å²	65	12%	0.123	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-39.9	-176.4	55.2	0	0	0	0	111.2	C42 E43 T48 V49 N50 E106 N107 C110	C42-T46 WeakPolarHBondContact O-CG2 3.46Å; C42-T46 PolarHBondContact O-N 3.34Å; C42-T46 PolarHBondContact O-OG1 3.43Å; E43-T46 WeakPolarHBondContact CA-OG1 3.47Å; E43-T46 PolarHBondContact O-N 3.33Å; E43-T46 PolarHBondContact O-OG1 3.27Å; E43-T46 VanDerWaalsContact O-OG1 3.08Å; T46-T48 VanDerWaalsContact C-N 3.34Å; T46-T48 PolarHBondContact O-N 3.44Å; T46-V49 PolarHBondContact O-N 3.17Å; T46-N50 WeakPolarHBondContact O-CB 3.21Å; T46-N50 PolarHBondContact O-N 3.05Å; T46-E106 HydrophobicContact CG2-CB 4.33Å; T46-E106 HydrophobicContact CG2-CG 4.24Å; T46-N107 WeakPolarHBondContact CG2-OD1 3.28Å; T46-C110 HydrophobicContact CG2-CB 4.1Å; T46-C110 PolarHBondContact N-SG 3.39Å
47	S	95.2	Very high	89	Confident	71 Å²	71	65.4 Å²	65.4	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-42.6	172	-175.2	0	0	0	0	111.9	E43 C45 N50 A51	E43-S47 WeakPolarHBondContact O-CB 3.44Å; E43-S47 PolarHBondContact O-N 2.85Å; C45-S47 VanDerWaalsContact C-N 3.32Å; C45-S47 PolarHBondContact O-N 2.97Å; S47-N50 PolarHBondContact O-N 2.82Å; S47-A51 WeakPolarHBondContact O-CB 3.3Å; S47-A51 PolarHBondContact O-N 3.46Å
48	T	95.9	Very high	89.7	Confident	75 Å²	75	65.1 Å²	65.1	46%	0.46	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-41.8	178.9	-58.8	0	0	0	0	111.5	L44 C45 T46 N50 A51 T52	L44-T48 VanDerWaalsContact O-CB 3.28Å; L44-T48 WeakPolarHBondContact O-CB 3.35Å; L44-T48 PolarHBondContact O-N 2.86Å; L44-T48 PolarHBondContact O-OG1 3.4Å; C45-T48 WeakPolarHBondContact O-CB 3.49Å; C45-T48 PolarHBondContact O-N 2.94Å; C45-T48 VanDerWaalsContact O-N 3.08Å; T46-T48 VanDerWaalsContact C-N 3.34Å; T46-T48 PolarHBondContact O-N 3.44Å; T48-N50 VanDerWaalsContact C-N 3.34Å; T48-A51 PolarHBondContact O-N 3.43Å; T48-T52 WeakPolarHBondContact O-CB 3.46Å; T48-T52 PolarHBondContact O-N 2.87Å; T48-T52 PolarHBondContact O-OG1 3.39Å
49	V	96.2	Very high	90.1	Very high	16 Å²	16	67.7 Å²	67.7	10%	0.097	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-45.1	174.9	175.2	0	0	0	0	110.2	C45 T46 T52 K53 I104 E106 F109	C45-V49 WeakPolarHBondContact O-CG2 3.33Å; C45-V49 PolarHBondContact O-N 3.46Å; T46-V49 PolarHBondContact O-N 3.17Å; V49-T52 WeakPolarHBondContact O-CB 3.33Å; V49-T52 PolarHBondContact O-N 2.96Å; V49-K53 HydrophobicContact CG1-CD 4.09Å; V49-K53 HydrophobicContact CG1-CG 4.45Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 3.44Å; V49-I104 HydrophobicContact CG1-CG2 4.16Å; V49-E106 HydrophobicContact CB-CB 3.92Å; V49-E106 HydrophobicContact CG1-CB 3.76Å; V49-F109 HydrophobicContact CG2-CD1 3.36Å; V49-F109 HydrophobicContact CG2-CE1 3.75Å; V49-F109 HydrophobicContact CG2-CG 4.21Å
50	N	95.1	Very high	90	Very high	61 Å²	61	65.6 Å²	65.6	33%	0.326	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-41.8	178.6	-79.6	-21.5	0	0	0	112.6	T46 S47 T48 T52 K53 Y54 E106	T46-N50 WeakPolarHBondContact O-CB 3.21Å; T46-N50 PolarHBondContact O-N 3.05Å; S47-N50 PolarHBondContact O-N 2.82Å; T48-N50 VanDerWaalsContact C-N 3.34Å; N50-T52 VanDerWaalsContact C-N 3.31Å; N50-T52 PolarHBondContact O-N 3.37Å; N50-K53 PolarHBondContact O-N 3.08Å; N50-Y54 WeakPolarHBondContact O-CB 3.46Å; N50-Y54 PolarHBondContact O-N 3.47Å; N50-E106 PolarHBondContact ND2-OE1 2.92Å; N50-E106 VanDerWaalsContact ND2-OE1 3.08Å; N50-E106 PolarHBondContact OD1-OE1 2.87Å; N50-E106 PolarHBondContact OD1-OE2 3.18Å
51	A	94.4	Very high	90	Very high	49 Å²	49	65 Å²	65	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-41.5	172.2	0	0	0	0	0	111.6	S47 T48 Y54 I55	S47-A51 WeakPolarHBondContact O-CB 3.3Å; S47-A51 PolarHBondContact O-N 3.46Å; T48-A51 PolarHBondContact O-N 3.43Å; A51-Y54 WeakPolarHBondContact O-CB 3.29Å; A51-Y54 PolarHBondContact O-N 3.32Å; A51-I55 VanDerWaalsContact O-CG1 3.28Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 3.46Å
52	T	92.6	Very high	90	Very high	66 Å²	66	64.2 Å²	64.2	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-44.6	177.6	-55.3	0	0	0	0	111.4	T48 V49 N50 Y54 I55 L56	T48-T52 WeakPolarHBondContact O-CB 3.46Å; T48-T52 PolarHBondContact O-N 2.87Å; T48-T52 PolarHBondContact O-OG1 3.39Å; V49-T52 WeakPolarHBondContact O-CB 3.33Å; V49-T52 PolarHBondContact O-N 2.96Å; N50-T52 VanDerWaalsContact C-N 3.31Å; N50-T52 PolarHBondContact O-N 3.37Å; T52-Y54 VanDerWaalsContact C-N 3.33Å; T52-Y54 PolarHBondContact O-N 2.85Å; T52-I55 PolarHBondContact O-N 3.15Å; T52-L56 HydrophobicContact CG2-CD1 4.02Å; T52-L56 HydrophobicContact CG2-CG 4.38Å; T52-L56 WeakPolarHBondContact O-CB 3.33Å; T52-L56 VanDerWaalsContact O-CG 3.32Å; T52-L56 WeakPolarHBondContact O-CG 3.39Å; T52-L56 PolarHBondContact O-N 3.18Å
53	K	92.1	Very high	89.8	Confident	32 Å²	32	64.9 Å²	64.9	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-47.6	174.2	-71.2	169.5	63.3	177.4	0	110.9	V49 N50 I55 L56 D57 V101 I104 E106	V49-K53 HydrophobicContact CG1-CD 4.09Å; V49-K53 HydrophobicContact CG1-CG 4.45Å; V49-K53 WeakPolarHBondContact O-CG 3.47Å; V49-K53 PolarHBondContact O-N 3.44Å; N50-K53 PolarHBondContact O-N 3.08Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.48Å; K53-L56 PolarHBondContact O-N 2.74Å; K53-D57 WeakPolarHBondContact O-CB 3.28Å; K53-D57 PolarHBondContact O-N 3.41Å; K53-V101 HydrophobicContact CB-CG1 3.99Å; K53-V101 HydrophobicContact CG-CG1 3.89Å; K53-I104 WeakPolarHBondContact CE-O 3.46Å; K53-I104 PolarHBondContact NZ-O 3.15Å; K53-E106 IonicContact NZ-OE2 3.7Å
54	Y	91.1	Very high	89.6	Confident	152 Å²	152	65.8 Å²	65.8	60%	0.596	35%	0.353	S	S	*	.	H	α-helix	trans	-58.1	-45.5	177.1	178.8	-90.9	0	0	0	112.2	N50 A51 T52 D57 N58	N50-Y54 WeakPolarHBondContact O-CB 3.46Å; N50-Y54 PolarHBondContact O-N 3.47Å; A51-Y54 WeakPolarHBondContact O-CB 3.29Å; A51-Y54 PolarHBondContact O-N 3.32Å; T52-Y54 VanDerWaalsContact C-N 3.33Å; T52-Y54 PolarHBondContact O-N 2.85Å; Y54-D57 PolarHBondContact O-N 2.79Å; Y54-N58 VanDerWaalsContact CD2-ND2 3.33Å; Y54-N58 WeakPolarHBondContact CD2-ND2 3.32Å; Y54-N58 VanDerWaalsContact CE2-ND2 3.33Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.18Å; Y54-N58 WeakPolarHBondContact O-CB 3.42Å; Y54-N58 PolarHBondContact O-N 3.08Å; Y54-N58 VanDerWaalsContact O-N 3.08Å; Y54-N58 PolarHBondContact O-ND2 3.41Å
55	I	90.1	Very high	89.4	Confident	79 Å²	79	66.2 Å²	66.2	41%	0.405	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-48.3	177.1	-70.8	164.5	0	0	0	110.2	A51 T52 K53 D57 N58 E59 F61	A51-I55 VanDerWaalsContact O-CG1 3.28Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 3.46Å; T52-I55 PolarHBondContact O-N 3.15Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.48Å; I55-D57 VanDerWaalsContact C-N 3.27Å; I55-D57 PolarHBondContact O-N 3.35Å; I55-N58 PolarHBondContact O-N 2.9Å; I55-E59 HydrophobicContact CG2-CB 4.35Å; I55-E59 HydrophobicContact CG2-CG 4.03Å; I55-E59 WeakPolarHBondContact O-CB 3.49Å; I55-E59 PolarHBondContact O-N 2.87Å; I55-F61 HydrophobicContact CG2-CD2 4.26Å; I55-F61 HydrophobicContact CG2-CE2 4.04Å
56	L	88.1	Confident	89.2	Confident	48 Å²	48	66.4 Å²	66.4	25%	0.251	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-31.2	-178.5	-70.4	174.8	0	0	0	113.3	T52 K53 I62 H98 V101	T52-L56 HydrophobicContact CG2-CD1 4.02Å; T52-L56 HydrophobicContact CG2-CG 4.38Å; T52-L56 WeakPolarHBondContact O-CB 3.33Å; T52-L56 VanDerWaalsContact O-CG 3.32Å; T52-L56 WeakPolarHBondContact O-CG 3.39Å; T52-L56 PolarHBondContact O-N 3.18Å; K53-L56 PolarHBondContact O-N 2.74Å; L56-I62 HydrophobicContact CD2-CD1 4.3Å; L56-H98 PolarHBondContact O-NE2 3.44Å; L56-V101 HydrophobicContact CB-CG1 4.11Å; L56-V101 HydrophobicContact CB-CG2 4.19Å; L56-V101 HydrophobicContact CD1-CG1 4.3Å; L56-V101 HydrophobicContact CD1-CG2 3.83Å
57	D	85.3	Confident	88.7	Confident	45 Å²	45	72 Å²	72	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-81.8	-28.9	179	-78.9	-11.6	0	0	0	113.5	K53 Y54 I55 H98 N102	K53-D57 WeakPolarHBondContact O-CB 3.28Å; K53-D57 PolarHBondContact O-N 3.41Å; Y54-D57 PolarHBondContact O-N 2.79Å; I55-D57 VanDerWaalsContact C-N 3.27Å; I55-D57 PolarHBondContact O-N 3.35Å; D57-H98 IonicContact OD1-CD2 3.94Å; D57-H98 IonicContact OD1-CG 3.94Å; D57-N102 PolarHBondContact OD1-ND2 3.37Å; D57-N102 PolarHBondContact OD2-ND2 2.92Å; D57-N102 PolarHBondContact OD2-OD1 3.48Å
58	N	83.6	Confident	88.5	Confident	96 Å²	96	74.5 Å²	74.5	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-107	-24.3	-172.2	-67	-80.4	0	0	0	114.2	Y54 I55	Y54-N58 VanDerWaalsContact CD2-ND2 3.33Å; Y54-N58 WeakPolarHBondContact CD2-ND2 3.32Å; Y54-N58 VanDerWaalsContact CE2-ND2 3.33Å; Y54-N58 WeakPolarHBondContact CE2-ND2 3.18Å; Y54-N58 WeakPolarHBondContact O-CB 3.42Å; Y54-N58 PolarHBondContact O-N 3.08Å; Y54-N58 VanDerWaalsContact O-N 3.08Å; Y54-N58 PolarHBondContact O-ND2 3.41Å; I55-N58 PolarHBondContact O-N 2.9Å
59	E	81.5	Confident	88.3	Confident	93 Å²	93	75.8 Å²	75.8	44%	0.435	39%	0.385	S	S	.	.	S	Bend	trans	-94.7	143	-176.7	-66.8	-68.6	131.7	0	0	112	I55 F61	I55-E59 HydrophobicContact CG2-CB 4.35Å; I55-E59 HydrophobicContact CG2-CG 4.03Å; I55-E59 WeakPolarHBondContact O-CB 3.49Å; I55-E59 PolarHBondContact O-N 2.87Å; E59-F61 HydrophobicContact CB-CD2 3.36Å; E59-F61 HydrophobicContact CB-CE2 3.54Å; E59-F61 HydrophobicContact CB-CG 4.46Å; E59-F61 HydrophobicContact CG-CD2 4.23Å; E59-F61 HydrophobicContact CG-CE2 3.92Å; E59-F61 PolarHBondContact O-N 3.08Å
60	P	80.3	Confident	88.1	Confident	82 Å²	82	76.9 Å²	76.9	53%	0.532	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	18.6	-175.1	31.6	-36.3	0	0	0	115	I62 P63 E64	P60-I62 PolarHBondContact O-N 3.38Å; P60-P63 WeakPolarHBondContact O-CD 3.39Å; P60-E64 WeakPolarHBondContact O-CB 3.48Å; P60-E64 PolarHBondContact O-N 2.86Å; P60-E64 VanDerWaalsContact O-N 3.1Å
61	F	84.2	Confident	88	Confident	105 Å²	105	77.4 Å²	77.4	46%	0.461	40%	0.396	S	S	.	.	H	α-helix	trans	-58	-49.8	-178.9	-72.4	-69.7	0	0	0	112.6	I55 E59 E64 I65	I55-F61 HydrophobicContact CG2-CD2 4.26Å; I55-F61 HydrophobicContact CG2-CE2 4.04Å; E59-F61 HydrophobicContact CB-CD2 3.36Å; E59-F61 HydrophobicContact CB-CE2 3.54Å; E59-F61 HydrophobicContact CB-CG 4.46Å; E59-F61 HydrophobicContact CG-CD2 4.23Å; E59-F61 HydrophobicContact CG-CE2 3.92Å; E59-F61 PolarHBondContact O-N 3.08Å; F61-E64 PolarHBondContact O-N 2.92Å; F61-I65 VanDerWaalsContact O-CG1 3.3Å; F61-I65 WeakPolarHBondContact O-CG1 3.39Å; F61-I65 PolarHBondContact O-N 2.68Å
62	I	85.5	Confident	88	Confident	24 Å²	24	79.4 Å²	79.4	12%	0.123	40%	0.399	C	S	.	.	H	α-helix	trans	-63.8	-50.7	-176.3	-60.7	-59.3	0	0	0	111.5	L56 P60 E64 I65 L66 V94 I97	L56-I62 HydrophobicContact CD2-CD1 4.3Å; P60-I62 PolarHBondContact O-N 3.38Å; I62-E64 VanDerWaalsContact C-N 3.26Å; I62-E64 PolarHBondContact O-N 3.28Å; I62-I65 PolarHBondContact O-N 2.81Å; I62-L66 HydrophobicContact CG2-CD1 3.83Å; I62-L66 HydrophobicContact CG2-CG 4.4Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.28Å; I62-L66 PolarHBondContact O-N 3.37Å; I62-V94 HydrophobicContact CG2-CG2 4.31Å; I62-I97 HydrophobicContact CD1-CG2 4.02Å; I62-I97 HydrophobicContact CG1-CG2 4.01Å; I62-I97 HydrophobicContact CG2-CB 4.16Å; I62-I97 HydrophobicContact CG2-CD1 3.45Å; I62-I97 VanDerWaalsContact CG2-CD1 3.45Å; I62-I97 HydrophobicContact CG2-CG1 4.4Å; I62-I97 HydrophobicContact CG2-CG2 4.09Å
63	P	84.6	Confident	88.1	Confident	44 Å²	44	76.3 Å²	76.3	29%	0.286	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-38.7	172.9	-25	30	0	0	0	114	P60 K67 V94	P60-P63 WeakPolarHBondContact O-CD 3.39Å; P63-K67 WeakPolarHBondContact O-CG 3.32Å; P63-K67 PolarHBondContact O-N 3.18Å; P63-V94 HydrophobicContact CB-CG2 4.26Å; P63-V94 HydrophobicContact CG-CG1 4.15Å; P63-V94 HydrophobicContact CG-CG2 3.88Å
64	E	86.7	Confident	88.2	Confident	125 Å²	125	81.9 Å²	81.9	58%	0.584	40%	0.401	S	S	*	.	H	α-helix	trans	-69.6	-44.2	-178.7	-171.6	164.7	-163.6	0	0	112	P60 F61 I62 L66 K67	P60-E64 WeakPolarHBondContact O-CB 3.48Å; P60-E64 PolarHBondContact O-N 2.86Å; P60-E64 VanDerWaalsContact O-N 3.1Å; F61-E64 PolarHBondContact O-N 2.92Å; I62-E64 VanDerWaalsContact C-N 3.26Å; I62-E64 PolarHBondContact O-N 3.28Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3.18Å; E64-K67 PolarHBondContact O-N 3Å
65	I	87.8	Confident	88.4	Confident	94 Å²	94	81.9 Å²	81.9	48%	0.482	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-41.7	175.4	-67.6	166.1	0	0	0	110.6	F61 I62 K67 N68 F69	F61-I65 VanDerWaalsContact O-CG1 3.3Å; F61-I65 WeakPolarHBondContact O-CG1 3.39Å; F61-I65 PolarHBondContact O-N 2.68Å; I62-I65 PolarHBondContact O-N 2.81Å; I65-K67 VanDerWaalsContact C-N 3.29Å; I65-K67 PolarHBondContact O-N 3.08Å; I65-N68 WeakPolarHBondContact O-CB 3.47Å; I65-N68 PolarHBondContact O-N 2.88Å; I65-N68 VanDerWaalsContact O-N 3.12Å; I65-F69 HydrophobicContact CG2-CE2 4.17Å; I65-F69 WeakPolarHBondContact O-CD2 3.48Å
66	L	88.2	Confident	88.7	Confident	18 Å²	18	80.7 Å²	80.7	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-62.2	-35.8	-179.1	-75.5	169.5	0	0	0	112.5	I62 E64 N68 F69 V89 A93 V94 I97	I62-L66 HydrophobicContact CG2-CD1 3.83Å; I62-L66 HydrophobicContact CG2-CG 4.4Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.28Å; I62-L66 PolarHBondContact O-N 3.37Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3.18Å; L66-N68 PolarHBondContact O-N 3.32Å; L66-N68 VanDerWaalsContact O-N 3.13Å; L66-F69 WeakPolarHBondContact O-CB 3.5Å; L66-F69 PolarHBondContact O-N 3.49Å; L66-V89 HydrophobicContact CB-CG1 4.47Å; L66-V89 WeakPolarHBondContact O-CG1 3.38Å; L66-A93 HydrophobicContact CD1-CB 3.63Å; L66-A93 HydrophobicContact CD2-CB 3.78Å; L66-A93 HydrophobicContact CG-CB 4.37Å; L66-V94 HydrophobicContact CD1-CG2 3.55Å; L66-I97 HydrophobicContact CD1-CD1 4.45Å
67	K	85.2	Confident	89	Confident	136 Å²	136	83.7 Å²	83.7	59%	0.591	43%	0.425	S	S	*	.	H	α-helix	trans	-58.1	-27.1	176.4	-73.3	169.4	-174	172.5	0	113.1	P63 E64 I65 F69 M70	P63-K67 WeakPolarHBondContact O-CG 3.32Å; P63-K67 PolarHBondContact O-N 3.18Å; E64-K67 PolarHBondContact O-N 3Å; I65-K67 VanDerWaalsContact C-N 3.29Å; I65-K67 PolarHBondContact O-N 3.08Å; K67-F69 PolarHBondContact O-N 3.42Å; K67-M70 WeakPolarHBondContact O-CB 3.28Å; K67-M70 PolarHBondContact O-N 3.47Å
68	N	90.5	Very high	89.6	Confident	124 Å²	124	86.9 Å²	86.9	66%	0.663	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.9	175.8	-65.5	-29.8	0	0	0	113.1	I65 L66 M70 P71	I65-N68 WeakPolarHBondContact O-CB 3.47Å; I65-N68 PolarHBondContact O-N 2.88Å; I65-N68 VanDerWaalsContact O-N 3.12Å; L66-N68 PolarHBondContact O-N 3.32Å; L66-N68 VanDerWaalsContact O-N 3.13Å; N68-M70 VanDerWaalsContact C-N 3.3Å; N68-P71 VanDerWaalsContact O-CD 3.28Å; N68-P71 WeakPolarHBondContact O-CD 3.15Å
69	F	91.4	Very high	90.1	Very high	102 Å²	102	87.2 Å²	87.2	45%	0.447	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.6	175.5	-61.9	-86.8	0	0	0	112.7	I65 L66 K67 P71 I72 V89	I65-F69 HydrophobicContact CG2-CE2 4.17Å; I65-F69 WeakPolarHBondContact O-CD2 3.48Å; L66-F69 WeakPolarHBondContact O-CB 3.5Å; L66-F69 PolarHBondContact O-N 3.49Å; K67-F69 PolarHBondContact O-N 3.42Å; F69-P71 VanDerWaalsContact C-CD 3.42Å; F69-I72 HydrophobicContact CD1-CD1 3.89Å; F69-I72 WeakPolarHBondContact O-CB 3.49Å; F69-I72 PolarHBondContact O-N 3.27Å; F69-V89 HydrophobicContact CB-CG2 4.22Å
70	M	90.9	Very high	90.9	Very high	40 Å²	40	88 Å²	88	20%	0.197	44%	0.442	C	S	.	.	H	α-helix	trans	-56.6	-39.9	-179.3	-165.5	79.3	-73.2	0	0	114.5	K67 N68 I72 C73 Y74 Y86 V89	K67-M70 WeakPolarHBondContact O-CB 3.28Å; K67-M70 PolarHBondContact O-N 3.47Å; N68-M70 VanDerWaalsContact C-N 3.3Å; M70-I72 PolarHBondContact O-N 2.9Å; M70-C73 HydrophobicContact CE-CB 3.5Å; M70-C73 WeakPolarHBondContact CE-SG 3.46Å; M70-C73 WeakPolarHBondContact O-CB 3.43Å; M70-C73 PolarHBondContact O-N 3.18Å; M70-Y74 HydrophobicContact CG-CE2 4.11Å; M70-Y74 WeakPolarHBondContact O-CD2 3.48Å; M70-Y86 HydrophobicContact CE-CD1 3.15Å; M70-Y86 HydrophobicContact CE-CE1 3.26Å; M70-Y86 HydrophobicContact CE-CG 3.99Å; M70-Y86 HydrophobicContact CG-CE1 4.21Å; M70-Y86 HydrophobicContact SD-CD1 3.46Å; M70-Y86 WeakPolarHBondContact SD-CD1 3.48Å; M70-Y86 HydrophobicContact SD-CE1 3.49Å; M70-Y86 WeakPolarHBondContact SD-CE1 3.39Å; M70-V89 HydrophobicContact CB-CG1 4.43Å; M70-V89 HydrophobicContact CE-CB 4Å; M70-V89 HydrophobicContact CE-CG1 4Å; M70-V89 HydrophobicContact CE-CG2 4.41Å; M70-V89 HydrophobicContact SD-CG1 4.12Å
71	P	93.6	Very high	91.6	Very high	72 Å²	72	88.9 Å²	88.9	47%	0.468	44%	0.435	S	S	.	.	H	α-helix	trans	-55	-35.4	174.8	-28	38	0	0	0	113.9	N68 F69 C73 Y74 M75	N68-P71 VanDerWaalsContact O-CD 3.28Å; N68-P71 WeakPolarHBondContact O-CD 3.15Å; F69-P71 VanDerWaalsContact C-CD 3.42Å; P71-C73 VanDerWaalsContact C-N 3.26Å; P71-C73 PolarHBondContact O-N 2.93Å; P71-Y74 WeakPolarHBondContact O-CB 3.47Å; P71-Y74 PolarHBondContact O-N 3.23Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; P71-M75 PolarHBondContact O-N 2.03Å
72	I	94	Very high	92.2	Very high	91 Å²	91	87.9 Å²	87.9	47%	0.467	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-35.1	-179.7	-57.1	178.6	0	0	0	110.5	F69 M70 Y74 M75	F69-I72 HydrophobicContact CD1-CD1 3.89Å; F69-I72 WeakPolarHBondContact O-CB 3.49Å; F69-I72 PolarHBondContact O-N 3.27Å; M70-I72 PolarHBondContact O-N 2.9Å; I72-Y74 PolarHBondContact O-N 3.46Å; I72-M75 WeakPolarHBondContact O-CB 3.31Å; I72-M75 PolarHBondContact O-N 2.04Å; I72-M75 VanDerWaalsContact O-N 3.09Å
73	C	95.7	Very high	92.7	Very high	0 Å²	0	93.4 Å²	93.4	0%	0	45%	0.451	C	S	.	.	H	α-helix	trans	-64.9	-27.8	177	-57.3	0	0	0	0	112.8	M70 P71 M75 R82 C85 Y86	M70-C73 HydrophobicContact CE-CB 3.5Å; M70-C73 WeakPolarHBondContact CE-SG 3.46Å; M70-C73 WeakPolarHBondContact O-CB 3.43Å; M70-C73 PolarHBondContact O-N 3.18Å; P71-C73 VanDerWaalsContact C-N 3.26Å; P71-C73 PolarHBondContact O-N 2.93Å; C73-M75 VanDerWaalsContact C-N 3.33Å; C73-R82 VanDerWaalsContact O-CG 3.25Å; C73-R82 WeakPolarHBondContact O-CG 3.42Å; C73-C85 WeakPolarHBondContact CA-SG 3.34Å; C73-C85 HydrophobicContact CB-CB 3.64Å; C73-C85 WeakPolarHBondContact CB-SG 3.44Å; C73-C85 WeakPolarHBondContact SG-CB 3.22Å; C73-C85 PolarHBondContact SG-O 3.21Å; C73-C85 CovalentContact SG-SG 2.03Å; C73-C85 PolarHBondContact SG-SG 2.88Å; C73-Y86 HydrophobicContact CB-CE1 4.4Å; C73-Y86 HydrophobicContact CB-CE2 4.26Å
74	Y	94.2	Very high	93.2	Very high	150 Å²	150	96.8 Å²	96.8	59%	0.588	47%	0.466	S	S	*	.	H	α-helix	trans	-72.5	-28.2	174.5	-69.1	-85.5	0	0	0	112.6	M70 P71 I72 L76 Y86	M70-Y74 HydrophobicContact CG-CE2 4.11Å; M70-Y74 WeakPolarHBondContact O-CD2 3.48Å; P71-Y74 WeakPolarHBondContact O-CB 3.47Å; P71-Y74 PolarHBondContact O-N 3.23Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; I72-Y74 PolarHBondContact O-N 3.46Å; Y74-L76 VanDerWaalsContact C-N 3.25Å; Y74-L76 PolarHBondContact O-N 3.42Å; Y74-Y86 WeakPolarHBondContact CD1-OH 3.35Å; Y74-Y86 VanDerWaalsContact CD2-OH 3.31Å; Y74-Y86 WeakPolarHBondContact CD2-OH 3.01Å; Y74-Y86 WeakPolarHBondContact CE1-OH 2.97Å; Y74-Y86 HydrophobicContact CE2-CE1 4.21Å; Y74-Y86 WeakPolarHBondContact CE2-OH 3.49Å; Y74-Y86 VanDerWaalsContact CG-OH 3.23Å; Y74-Y86 AromaticContact CZ-CZ 3.88Å
75	M	95.6	Very high	93.6	Very high	152 Å²	152	92 Å²	92	75%	0.749	45%	0.446	S	S	*	.	H	α-helix	trans	-75.2	-14.1	-179.5	-59.9	-175.3	-179.6	0	0	113	P71 I72 C73	P71-M75 PolarHBondContact O-N 2.03Å; I72-M75 WeakPolarHBondContact O-CB 3.31Å; I72-M75 PolarHBondContact O-N 2.04Å; I72-M75 VanDerWaalsContact O-N 3.09Å; C73-M75 VanDerWaalsContact C-N 3.33Å
76	L	95.7	Very high	93.9	Very high	53 Å²	53	90.5 Å²	90.5	28%	0.277	44%	0.435	S	S	.	.			trans	-70.5	133.1	179.9	-64.6	168.1	0	0	0	111.2	Y74 Y81 R82 C85	Y74-L76 VanDerWaalsContact C-N 3.25Å; Y74-L76 PolarHBondContact O-N 3.42Å; L76-Y81 WeakPolarHBondContact CD1-O 3.08Å; L76-R82 HydrophobicContact CB-CG 3.92Å; L76-R82 WeakPolarHBondContact O-CD 3.35Å; L76-R82 WeakPolarHBondContact O-CG 3.29Å; L76-C85 HydrophobicContact CD1-CB 3.51Å
77	P	95.2	Very high	94	Very high	111 Å²	111	96.4 Å²	96.4	72%	0.721	46%	0.461	S	S	*	.	S	Bend	trans	-73.7	-35.6	-167.2	26.1	-34.6	0	0	0	113.5
78	K	96.9	Very high	94.3	Very high	112 Å²	112	94.9 Å²	94.9	49%	0.487	46%	0.455	S	S	.	.	S	Bend	trans	-99.4	137	-177.1	-56.6	-169.4	-174.8	173.6	0	110.9	Q80 Y81 R82	K78-Q80 HydrophobicContact CB-CG 4.09Å; K78-Q80 PolarHBondContact O-N 3.03Å; K78-Y81 HydrophobicContact CB-CD2 3.62Å; K78-Y81 HydrophobicContact CB-CE2 3.95Å; K78-Y81 HydrophobicContact CB-CG 4.34Å; K78-Y81 HydrophobicContact CD-CD2 4.17Å; K78-Y81 HydrophobicContact CD-CE2 3.58Å; K78-Y81 HydrophobicContact CG-CD2 3.98Å; K78-Y81 HydrophobicContact CG-CE2 3.88Å; K78-Y81 PolarHBondContact O-N 3.11Å; K78-R82 PolarHBondContact O-N 2.91Å; K78-R82 VanDerWaalsContact O-N 3.09Å
79	L	94.7	Very high	94.4	Very high	103 Å²	103	89.4 Å²	89.4	54%	0.539	43%	0.426	S	S	.	.	H	α-helix	trans	-54.9	-36.9	178.6	-177	62.6	0	0	0	112.9	Y81 R82 K83	L79-Y81 PolarHBondContact O-N 3.44Å; L79-R82 WeakPolarHBondContact O-CB 3.39Å; L79-R82 PolarHBondContact O-N 3.47Å; L79-K83 WeakPolarHBondContact O-CG 3.4Å; L79-K83 PolarHBondContact O-N 3.23Å
80	Q	97.1	Very high	94.2	Very high	111 Å²	111	90.7 Å²	90.7	52%	0.519	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-41.7	177.2	70.3	-171.5	53.2	0	0	112.8	K78 K83 I84	K78-Q80 HydrophobicContact CB-CG 4.09Å; K78-Q80 PolarHBondContact O-N 3.03Å; Q80-K83 PolarHBondContact O-N 2.82Å; Q80-I84 WeakPolarHBondContact O-CG1 3.28Å; Q80-I84 PolarHBondContact O-N 3.22Å
81	Y	97	Very high	93.8	Very high	100 Å²	100	89.9 Å²	89.9	39%	0.392	44%	0.439	S	S	.	.	H	α-helix	trans	-72.5	-36.6	179.8	-58.7	-41.8	0	0	0	111	L76 K78 L79 K83 I84 C85	L76-Y81 WeakPolarHBondContact CD1-O 3.08Å; K78-Y81 HydrophobicContact CB-CD2 3.62Å; K78-Y81 HydrophobicContact CB-CE2 3.95Å; K78-Y81 HydrophobicContact CB-CG 4.34Å; K78-Y81 HydrophobicContact CD-CD2 4.17Å; K78-Y81 HydrophobicContact CD-CE2 3.58Å; K78-Y81 HydrophobicContact CG-CD2 3.98Å; K78-Y81 HydrophobicContact CG-CE2 3.88Å; K78-Y81 PolarHBondContact O-N 3.11Å; L79-Y81 PolarHBondContact O-N 3.44Å; Y81-K83 VanDerWaalsContact C-N 3.35Å; Y81-K83 PolarHBondContact O-N 3.35Å; Y81-I84 PolarHBondContact O-N 2.84Å; Y81-C85 VanDerWaalsContact O-CB 3.29Å; Y81-C85 WeakPolarHBondContact O-CB 3.46Å; Y81-C85 PolarHBondContact O-N 3.06Å
82	R	96.8	Very high	93.4	Very high	84 Å²	84	87.2 Å²	87.2	32%	0.317	43%	0.425	S	S	.	.	H	α-helix	trans	-54.2	-53.4	169.7	-64.1	-159	-79.6	-128.5	-2.2	110.3	C73 L76 K78 L79 I84 C85 Y86	C73-R82 VanDerWaalsContact O-CG 3.25Å; C73-R82 WeakPolarHBondContact O-CG 3.42Å; L76-R82 HydrophobicContact CB-CG 3.92Å; L76-R82 WeakPolarHBondContact O-CD 3.35Å; L76-R82 WeakPolarHBondContact O-CG 3.29Å; K78-R82 PolarHBondContact O-N 2.91Å; K78-R82 VanDerWaalsContact O-N 3.09Å; L79-R82 WeakPolarHBondContact O-CB 3.39Å; L79-R82 PolarHBondContact O-N 3.47Å; R82-I84 PolarHBondContact O-N 3.39Å; R82-C85 WeakPolarHBondContact O-CB 3.37Å; R82-C85 PolarHBondContact O-N 3.5Å; R82-Y86 VanDerWaalsContact C-CD2 3.5Å; R82-Y86 HydrophobicContact CB-CD2 4.28Å; R82-Y86 HydrophobicContact CB-CE2 4.02Å; R82-Y86 WeakPolarHBondContact O-CD2 3.28Å; R82-Y86 PolarHBondContact O-N 3.36Å
83	K	95.3	Very high	93.1	Very high	140 Å²	140	83 Å²	83	61%	0.609	40%	0.404	S	S	*	.	H	α-helix	trans	-57.9	-44.6	-180	-73.4	-177.9	177.9	-172.7	0	113.2	L79 Q80 Y81 Y86 H87	L79-K83 WeakPolarHBondContact O-CG 3.4Å; L79-K83 PolarHBondContact O-N 3.23Å; Q80-K83 PolarHBondContact O-N 2.82Å; Y81-K83 VanDerWaalsContact C-N 3.35Å; Y81-K83 PolarHBondContact O-N 3.35Å; K83-Y86 PolarHBondContact O-N 3.41Å; K83-H87 PolarHBondContact O-N 3.36Å
84	I	94.6	Very high	92.8	Very high	114 Å²	114	83.8 Å²	83.8	59%	0.585	41%	0.408	S	S	*	.	H	α-helix	trans	-61.4	-46.8	176.7	-66.9	163.9	0	0	0	110.3	Q80 Y81 R82 Y86 H87 F88	Q80-I84 WeakPolarHBondContact O-CG1 3.28Å; Q80-I84 PolarHBondContact O-N 3.22Å; Y81-I84 PolarHBondContact O-N 2.84Å; R82-I84 PolarHBondContact O-N 3.39Å; I84-Y86 PolarHBondContact O-N 3.04Å; I84-H87 PolarHBondContact O-N 2.89Å; I84-F88 WeakPolarHBondContact O-CB 3.14Å; I84-F88 PolarHBondContact O-N 3.18Å
85	C	95.1	Very high	92.4	Very high	25 Å²	25	81.9 Å²	81.9	17%	0.169	41%	0.408	C	S	.	.	H	α-helix	trans	-61.7	-43.5	177.7	-172.2	0	0	0	0	111.9	C73 L76 Y81 R82 H87 F88 V89	C73-C85 WeakPolarHBondContact CA-SG 3.34Å; C73-C85 HydrophobicContact CB-CB 3.64Å; C73-C85 WeakPolarHBondContact CB-SG 3.44Å; C73-C85 WeakPolarHBondContact SG-CB 3.22Å; C73-C85 PolarHBondContact SG-O 3.21Å; C73-C85 CovalentContact SG-SG 2.03Å; C73-C85 PolarHBondContact SG-SG 2.88Å; L76-C85 HydrophobicContact CD1-CB 3.51Å; Y81-C85 VanDerWaalsContact O-CB 3.29Å; Y81-C85 WeakPolarHBondContact O-CB 3.46Å; Y81-C85 PolarHBondContact O-N 3.06Å; R82-C85 WeakPolarHBondContact O-CB 3.37Å; R82-C85 PolarHBondContact O-N 3.5Å; C85-H87 PolarHBondContact O-N 3.33Å; C85-F88 PolarHBondContact O-N 2.94Å; C85-V89 WeakPolarHBondContact O-CB 3.4Å; C85-V89 WeakPolarHBondContact O-CG2 3.49Å; C85-V89 PolarHBondContact O-N 3.37Å
86	Y	93.4	Very high	92.1	Very high	63 Å²	63	79.1 Å²	79.1	25%	0.247	40%	0.396	C	S	.	.	H	α-helix	trans	-57.1	-49.5	173.3	-79.7	-70.6	0	0	0	112	M70 C73 Y74 R82 K83 I84 F88 V89 N90	M70-Y86 HydrophobicContact CE-CD1 3.15Å; M70-Y86 HydrophobicContact CE-CE1 3.26Å; M70-Y86 HydrophobicContact CE-CG 3.99Å; M70-Y86 HydrophobicContact CG-CE1 4.21Å; M70-Y86 HydrophobicContact SD-CD1 3.46Å; M70-Y86 WeakPolarHBondContact SD-CD1 3.48Å; M70-Y86 HydrophobicContact SD-CE1 3.49Å; M70-Y86 WeakPolarHBondContact SD-CE1 3.39Å; C73-Y86 HydrophobicContact CB-CE1 4.4Å; C73-Y86 HydrophobicContact CB-CE2 4.26Å; Y74-Y86 WeakPolarHBondContact CD1-OH 3.35Å; Y74-Y86 VanDerWaalsContact CD2-OH 3.31Å; Y74-Y86 WeakPolarHBondContact CD2-OH 3.01Å; Y74-Y86 WeakPolarHBondContact CE1-OH 2.97Å; Y74-Y86 HydrophobicContact CE2-CE1 4.21Å; Y74-Y86 WeakPolarHBondContact CE2-OH 3.49Å; Y74-Y86 VanDerWaalsContact CG-OH 3.23Å; Y74-Y86 AromaticContact CZ-CZ 3.88Å; R82-Y86 VanDerWaalsContact C-CD2 3.5Å; R82-Y86 HydrophobicContact CB-CD2 4.28Å; R82-Y86 HydrophobicContact CB-CE2 4.02Å; R82-Y86 WeakPolarHBondContact O-CD2 3.28Å; R82-Y86 PolarHBondContact O-N 3.36Å; K83-Y86 PolarHBondContact O-N 3.41Å; I84-Y86 PolarHBondContact O-N 3.04Å; Y86-F88 VanDerWaalsContact C-N 3.3Å; Y86-F88 PolarHBondContact O-N 2.92Å; Y86-V89 PolarHBondContact O-N 2.88Å; Y86-N90 WeakPolarHBondContact O-CA 3.38Å; Y86-N90 WeakPolarHBondContact O-CB 3.31Å; Y86-N90 PolarHBondContact O-N 2.8Å
87	H	91.3	Very high	91.9	Very high	142 Å²	142	79.1 Å²	79.1	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-62.2	-40.8	179.4	-174.3	-77.2	0	0	0	111.8	K83 I84 C85 G92	K83-H87 PolarHBondContact O-N 3.36Å; I84-H87 PolarHBondContact O-N 2.89Å; C85-H87 PolarHBondContact O-N 3.33Å; H87-G92 PolarHBondContact O-N 3.06Å
88	F	91.8	Very high	91.6	Very high	103 Å²	103	76 Å²	76	45%	0.452	37%	0.372	S	S	.	.	I	π-helix	trans	-63.6	-50.4	178	-174.4	-103	0	0	0	111.7	I84 C85 Y86 N90 G92 A93 L96	I84-F88 WeakPolarHBondContact O-CB 3.14Å; I84-F88 PolarHBondContact O-N 3.18Å; C85-F88 PolarHBondContact O-N 2.94Å; Y86-F88 VanDerWaalsContact C-N 3.3Å; Y86-F88 PolarHBondContact O-N 2.92Å; F88-N90 PolarHBondContact O-N 3.37Å; F88-G92 PolarHBondContact O-N 3.3Å; F88-A93 HydrophobicContact CD1-CB 4.02Å; F88-A93 HydrophobicContact CD2-CB 4.18Å; F88-A93 HydrophobicContact CE1-CB 3.7Å; F88-A93 HydrophobicContact CE2-CB 3.87Å; F88-A93 HydrophobicContact CG-CB 4.26Å; F88-A93 HydrophobicContact CZ-CB 3.62Å; F88-A93 VanDerWaalsContact O-CB 3.28Å; F88-A93 WeakPolarHBondContact O-CB 3.32Å; F88-A93 PolarHBondContact O-N 3.39Å; F88-L96 HydrophobicContact CE2-CD1 3.86Å
89	V	91.5	Very high	91.3	Very high	9 Å²	9	76.8 Å²	76.8	6%	0.055	38%	0.377	C	S	.	.	I	π-helix	trans	-68.5	-35.2	179.4	170.2	0	0	0	0	112.1	L66 F69 M70 C85 Y86 G91	L66-V89 HydrophobicContact CB-CG1 4.47Å; L66-V89 WeakPolarHBondContact O-CG1 3.38Å; F69-V89 HydrophobicContact CB-CG2 4.22Å; M70-V89 HydrophobicContact CB-CG1 4.43Å; M70-V89 HydrophobicContact CE-CB 4Å; M70-V89 HydrophobicContact CE-CG1 4Å; M70-V89 HydrophobicContact CE-CG2 4.41Å; M70-V89 HydrophobicContact SD-CG1 4.12Å; C85-V89 WeakPolarHBondContact O-CB 3.4Å; C85-V89 WeakPolarHBondContact O-CG2 3.49Å; C85-V89 PolarHBondContact O-N 3.37Å; Y86-V89 PolarHBondContact O-N 2.88Å; V89-G91 VanDerWaalsContact C-N 3.25Å; V89-G91 PolarHBondContact O-N 3.42Å
90	N	86.8	Confident	91.1	Very high	130 Å²	130	77.6 Å²	77.6	70%	0.695	38%	0.381	S	S	*	.	I	π-helix	trans	-88.8	36.2	-175.7	-166.1	62.3	0	0	0	113.6	Y86 F88	Y86-N90 WeakPolarHBondContact O-CA 3.38Å; Y86-N90 WeakPolarHBondContact O-CB 3.31Å; Y86-N90 PolarHBondContact O-N 2.8Å; F88-N90 PolarHBondContact O-N 3.37Å
91	G	83.5	Confident	90.8	Very high	23 Å²	23	72.7 Å²	72.7	24%	0.237	36%	0.359	C	S	.	.	I	π-helix	trans	129.5	-33.5	172.7	0	0	0	0	0	114.1	V89 A93 V94 D95	V89-G91 VanDerWaalsContact C-N 3.25Å; V89-G91 PolarHBondContact O-N 3.42Å; G91-A93 PolarHBondContact O-N 3.22Å; G91-A93 VanDerWaalsContact O-N 3.16Å; G91-V94 WeakPolarHBondContact O-CA 3.45Å; G91-V94 VanDerWaalsContact O-CB 3.3Å; G91-V94 WeakPolarHBondContact O-CB 3.47Å; G91-V94 PolarHBondContact O-N 3.3Å; G91-D95 PolarHBondContact O-N 3.04Å
92	G	86.1	Confident	90.5	Very high	15 Å²	15	72.2 Å²	72.2	16%	0.155	36%	0.363	C	S	.	.	I	π-helix	trans	-58.9	-34.9	-177.3	0	0	0	0	0	113.8	H87 F88 L96	H87-G92 PolarHBondContact O-N 3.06Å; F88-G92 PolarHBondContact O-N 3.3Å; G92-L96 WeakPolarHBondContact O-CG 3.07Å
93	A	87.5	Confident	90.3	Very high	3 Å²	3	73.2 Å²	73.2	3%	0.025	38%	0.379	C	S	.	.	H	α-helix	trans	-77.1	-27.2	174.3	0	0	0	0	0	113	L66 F88 G91 L96 I97	L66-A93 HydrophobicContact CD1-CB 3.63Å; L66-A93 HydrophobicContact CD2-CB 3.78Å; L66-A93 HydrophobicContact CG-CB 4.37Å; F88-A93 HydrophobicContact CD1-CB 4.02Å; F88-A93 HydrophobicContact CD2-CB 4.18Å; F88-A93 HydrophobicContact CE1-CB 3.7Å; F88-A93 HydrophobicContact CE2-CB 3.87Å; F88-A93 HydrophobicContact CG-CB 4.26Å; F88-A93 HydrophobicContact CZ-CB 3.62Å; F88-A93 VanDerWaalsContact O-CB 3.28Å; F88-A93 WeakPolarHBondContact O-CB 3.32Å; F88-A93 PolarHBondContact O-N 3.39Å; G91-A93 PolarHBondContact O-N 3.22Å; G91-A93 VanDerWaalsContact O-N 3.16Å; A93-L96 PolarHBondContact O-N 3.08Å; A93-I97 WeakPolarHBondContact O-CB 3.31Å; A93-I97 WeakPolarHBondContact O-CD1 3.5Å; A93-I97 WeakPolarHBondContact O-CG1 3.25Å; A93-I97 PolarHBondContact O-N 3.16Å
94	V	87.6	Confident	90.2	Very high	16 Å²	16	69.5 Å²	69.5	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-49.9	177.5	-179.2	0	0	0	0	109.5	I62 P63 L66 G91 L96 I97 H98	I62-V94 HydrophobicContact CG2-CG2 4.31Å; P63-V94 HydrophobicContact CB-CG2 4.26Å; P63-V94 HydrophobicContact CG-CG1 4.15Å; P63-V94 HydrophobicContact CG-CG2 3.88Å; L66-V94 HydrophobicContact CD1-CG2 3.55Å; G91-V94 WeakPolarHBondContact O-CA 3.45Å; G91-V94 VanDerWaalsContact O-CB 3.3Å; G91-V94 WeakPolarHBondContact O-CB 3.47Å; G91-V94 PolarHBondContact O-N 3.3Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.01Å; V94-I97 PolarHBondContact O-N 3.38Å; V94-I97 VanDerWaalsContact O-N 3.14Å; V94-H98 PolarHBondContact O-N 3.31Å
95	D	87.6	Confident	90.2	Very high	111 Å²	111	67.3 Å²	67.3	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-60.2	-42.4	-179.9	-62.7	-29.4	0	0	0	111.7	G91 H98 E99	G91-D95 PolarHBondContact O-N 3.04Å; D95-H98 PolarHBondContact O-N 3.31Å; D95-E99 WeakPolarHBondContact O-CB 3.43Å; D95-E99 PolarHBondContact O-N 3.36Å
96	L	89.4	Confident	90.1	Very high	94 Å²	94	68.2 Å²	68.2	49%	0.492	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-38	177	-68.7	172.3	0	0	0	112.6	F88 G92 A93 V94 L100	F88-L96 HydrophobicContact CE2-CD1 3.86Å; G92-L96 WeakPolarHBondContact O-CG 3.07Å; A93-L96 PolarHBondContact O-N 3.08Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.01Å; L96-L100 WeakPolarHBondContact O-CB 3.14Å; L96-L100 PolarHBondContact O-N 3.44Å
97	I	89.9	Confident	90	Very high	52 Å²	52	69.1 Å²	69.1	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-69.2	-43.2	177	-70.7	164.5	0	0	0	109.9	I62 L66 A93 V94 E99 L100 V101	I62-I97 HydrophobicContact CD1-CG2 4.02Å; I62-I97 HydrophobicContact CG1-CG2 4.01Å; I62-I97 HydrophobicContact CG2-CB 4.16Å; I62-I97 HydrophobicContact CG2-CD1 3.45Å; I62-I97 VanDerWaalsContact CG2-CD1 3.45Å; I62-I97 HydrophobicContact CG2-CG1 4.4Å; I62-I97 HydrophobicContact CG2-CG2 4.09Å; L66-I97 HydrophobicContact CD1-CD1 4.45Å; A93-I97 WeakPolarHBondContact O-CB 3.31Å; A93-I97 WeakPolarHBondContact O-CD1 3.5Å; A93-I97 WeakPolarHBondContact O-CG1 3.25Å; A93-I97 PolarHBondContact O-N 3.16Å; V94-I97 PolarHBondContact O-N 3.38Å; V94-I97 VanDerWaalsContact O-N 3.14Å; I97-E99 VanDerWaalsContact C-N 3.31Å; I97-E99 PolarHBondContact O-N 3.48Å; I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 PolarHBondContact O-N 2.81Å; I97-L100 VanDerWaalsContact O-N 3.17Å; I97-V101 HydrophobicContact CG2-CG2 4.21Å; I97-V101 VanDerWaalsContact O-CG2 3.28Å; I97-V101 WeakPolarHBondContact O-CG2 3.49Å; I97-V101 PolarHBondContact O-N 2.97Å
98	H	89.4	Confident	90	Very high	47 Å²	47	67.8 Å²	67.8	22%	0.218	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-41	175.2	-69.1	-178.5	0	0	0	111.7	L56 D57 V94 D95 L100 V101 N102	L56-H98 PolarHBondContact O-NE2 3.44Å; D57-H98 IonicContact OD1-CD2 3.94Å; D57-H98 IonicContact OD1-CG 3.94Å; V94-H98 PolarHBondContact O-N 3.31Å; D95-H98 PolarHBondContact O-N 3.31Å; H98-L100 VanDerWaalsContact C-N 3.34Å; H98-L100 PolarHBondContact O-N 3.24Å; H98-V101 PolarHBondContact O-N 3Å; H98-N102 VanDerWaalsContact O-CB 3.32Å; H98-N102 WeakPolarHBondContact O-CB 3.43Å; H98-N102 PolarHBondContact O-N 3.27Å; H98-N102 PolarHBondContact O-ND2 3.26Å
99	E	90.3	Very high	90	Very high	127 Å²	127	67.4 Å²	67.4	59%	0.593	36%	0.361	S	S	*	.	H	α-helix	trans	-60.6	-43.4	174.2	-174	-179.8	175.7	0	0	111.7	D95 I97 N102 T103	D95-E99 WeakPolarHBondContact O-CB 3.43Å; D95-E99 PolarHBondContact O-N 3.36Å; I97-E99 VanDerWaalsContact C-N 3.31Å; I97-E99 PolarHBondContact O-N 3.48Å; E99-N102 PolarHBondContact O-N 3.38Å; E99-T103 PolarHBondContact O-N 3.49Å; E99-T103 VanDerWaalsContact O-N 3.08Å; E99-T103 PolarHBondContact O-OG1 2.96Å
100	L	90.8	Very high	90	Very high	120 Å²	120	67 Å²	67	63%	0.628	36%	0.359	S	S	*	.	H	α-helix	trans	-64.7	-45.9	177.5	-177.9	62.5	0	0	0	112	L96 I97 H98 N102 T103 I104	L96-L100 WeakPolarHBondContact O-CB 3.14Å; L96-L100 PolarHBondContact O-N 3.44Å; I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 PolarHBondContact O-N 2.81Å; I97-L100 VanDerWaalsContact O-N 3.17Å; H98-L100 VanDerWaalsContact C-N 3.34Å; H98-L100 PolarHBondContact O-N 3.24Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.02Å; L100-T103 WeakPolarHBondContact O-CB 3.36Å; L100-T103 PolarHBondContact O-N 3.45Å; L100-I104 PolarHBondContact O-N 2.9Å
101	V	91.5	Very high	90.2	Very high	9 Å²	9	65.9 Å²	65.9	6%	0.055	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-44.1	177.2	169.5	0	0	0	0	110.5	K53 L56 I97 H98 T103 I104	K53-V101 HydrophobicContact CB-CG1 3.99Å; K53-V101 HydrophobicContact CG-CG1 3.89Å; L56-V101 HydrophobicContact CB-CG1 4.11Å; L56-V101 HydrophobicContact CB-CG2 4.19Å; L56-V101 HydrophobicContact CD1-CG1 4.3Å; L56-V101 HydrophobicContact CD1-CG2 3.83Å; I97-V101 HydrophobicContact CG2-CG2 4.21Å; I97-V101 VanDerWaalsContact O-CG2 3.28Å; I97-V101 WeakPolarHBondContact O-CG2 3.49Å; I97-V101 PolarHBondContact O-N 2.97Å; H98-V101 PolarHBondContact O-N 3Å; V101-T103 VanDerWaalsContact C-N 3.26Å; V101-T103 PolarHBondContact O-N 3.14Å; V101-I104 WeakPolarHBondContact O-CB 3.19Å; V101-I104 PolarHBondContact O-N 3.44Å; V101-I104 VanDerWaalsContact O-N 3.15Å
102	N	89.5	Confident	90.4	Very high	90 Å²	90	72.9 Å²	72.9	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-25.1	179.5	-82.4	-63.9	0	0	0	113.6	D57 H98 E99 L100 I104	D57-N102 PolarHBondContact OD1-ND2 3.37Å; D57-N102 PolarHBondContact OD2-ND2 2.92Å; D57-N102 PolarHBondContact OD2-OD1 3.48Å; H98-N102 VanDerWaalsContact O-CB 3.32Å; H98-N102 WeakPolarHBondContact O-CB 3.43Å; H98-N102 PolarHBondContact O-N 3.27Å; H98-N102 PolarHBondContact O-ND2 3.26Å; E99-N102 PolarHBondContact O-N 3.38Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.02Å; N102-I104 VanDerWaalsContact C-N 3.27Å; N102-I104 PolarHBondContact O-N 3.3Å
103	T	93.5	Very high	90.5	Very high	105 Å²	105	76.7 Å²	76.7	64%	0.644	39%	0.39	S	S	*	.	H	α-helix	trans	-73.7	-18.5	175.4	-57.7	0	0	0	0	112.6	E99 L100 V101 N105	E99-T103 PolarHBondContact O-N 3.49Å; E99-T103 VanDerWaalsContact O-N 3.08Å; E99-T103 PolarHBondContact O-OG1 2.96Å; L100-T103 WeakPolarHBondContact O-CB 3.36Å; L100-T103 PolarHBondContact O-N 3.45Å; V101-T103 VanDerWaalsContact C-N 3.26Å; V101-T103 PolarHBondContact O-N 3.14Å; T103-N105 PolarHBondContact O-N 3.07Å
104	I	93.3	Very high	90.3	Very high	62 Å²	62	79.5 Å²	79.5	32%	0.318	42%	0.42	S	S	.	.			trans	-67.7	116.5	177.9	-60.3	173.4	0	0	0	109.6	V49 K53 L100 V101 N102 F109	V49-I104 HydrophobicContact CG1-CG2 4.16Å; K53-I104 WeakPolarHBondContact CE-O 3.46Å; K53-I104 PolarHBondContact NZ-O 3.15Å; L100-I104 PolarHBondContact O-N 2.9Å; V101-I104 WeakPolarHBondContact O-CB 3.19Å; V101-I104 PolarHBondContact O-N 3.44Å; V101-I104 VanDerWaalsContact O-N 3.15Å; N102-I104 VanDerWaalsContact C-N 3.27Å; N102-I104 PolarHBondContact O-N 3.3Å; I104-F109 HydrophobicContact CG2-CB 4.2Å; I104-F109 HydrophobicContact CG2-CD2 4.32Å; I104-F109 HydrophobicContact CG2-CG 4.46Å
105	N	94.3	Very high	90.2	Very high	68 Å²	68	81.6 Å²	81.6	36%	0.364	43%	0.43	S	S	.	.			trans	-88.2	119.7	168.2	-178.1	-84.1	0	0	0	109.7	T103 N107 N108 F109	T103-N105 PolarHBondContact O-N 3.07Å; N105-N107 VanDerWaalsContact C-N 3.33Å; N105-N107 PolarHBondContact O-N 2.92Å; N105-N107 WeakPolarHBondContact OD1-CB 3.2Å; N105-N107 PolarHBondContact OD1-N 2.92Å; N105-N108 HydrophobicContact CB-CB 4.16Å; N105-N108 PolarHBondContact O-N 3.24Å; N105-N108 PolarHBondContact OD1-N 3.5Å; N105-F109 WeakPolarHBondContact O-CB 3.42Å; N105-F109 PolarHBondContact O-N 3.41Å
106	E	92.9	Very high	90.1	Very high	43 Å²	43	77 Å²	77	20%	0.201	41%	0.407	C	S	.	.	H	α-helix	trans	-60.7	-38.6	-175.3	58.9	-88.3	-152.2	0	0	112.9	T46 V49 N50 K53 F109 C110	T46-E106 HydrophobicContact CG2-CB 4.33Å; T46-E106 HydrophobicContact CG2-CG 4.24Å; V49-E106 HydrophobicContact CB-CB 3.92Å; V49-E106 HydrophobicContact CG1-CB 3.76Å; N50-E106 PolarHBondContact ND2-OE1 2.92Å; N50-E106 VanDerWaalsContact ND2-OE1 3.08Å; N50-E106 PolarHBondContact OD1-OE1 2.87Å; N50-E106 PolarHBondContact OD1-OE2 3.18Å; K53-E106 IonicContact NZ-OE2 3.7Å; E106-F109 PolarHBondContact O-N 3.42Å; E106-C110 VanDerWaalsContact O-CB 3.29Å; E106-C110 WeakPolarHBondContact O-CB 3.35Å; E106-C110 PolarHBondContact O-N 3.39Å; E106-C110 PolarHBondContact O-SG 3.29Å
107	N	90.7	Very high	89.4	Confident	83 Å²	83	75.7 Å²	75.7	44%	0.444	41%	0.405	S	S	.	.	H	α-helix	trans	-67.6	-44.6	179.1	-64.9	-50.3	0	0	0	111.1	T46 N105 F109 C110 F111	T46-N107 WeakPolarHBondContact CG2-OD1 3.28Å; N105-N107 VanDerWaalsContact C-N 3.33Å; N105-N107 PolarHBondContact O-N 2.92Å; N105-N107 WeakPolarHBondContact OD1-CB 3.2Å; N105-N107 PolarHBondContact OD1-N 2.92Å; N107-F109 VanDerWaalsContact C-N 3.34Å; N107-C110 PolarHBondContact O-N 3.5Å; N107-F111 WeakPolarHBondContact O-CB 3.46Å; N107-F111 PolarHBondContact O-N 3.5Å
108	N	91.5	Very high	88.2	Confident	114 Å²	114	77.8 Å²	77.8	61%	0.61	43%	0.425	S	S	*	.	H	α-helix	trans	-65.4	-40.3	177	-71.1	-17.6	0	0	0	111.6	N105 F111 H112	N105-N108 HydrophobicContact CB-CB 4.16Å; N105-N108 PolarHBondContact O-N 3.24Å; N105-N108 PolarHBondContact OD1-N 3.5Å; N108-F111 PolarHBondContact O-N 3.41Å; N108-H112 WeakPolarHBondContact O-CB 3.34Å; N108-H112 PolarHBondContact O-N 3.4Å
109	F	92.7	Very high	86.7	Confident	95 Å²	95	81 Å²	81	42%	0.417	45%	0.448	S	S	.	.	H	α-helix	trans	-61.6	-50.6	176.2	-175.5	-91.3	0	0	0	110.9	V49 I104 N105 E106 N107 F111 H112 L113	V49-F109 HydrophobicContact CG2-CD1 3.36Å; V49-F109 HydrophobicContact CG2-CE1 3.75Å; V49-F109 HydrophobicContact CG2-CG 4.21Å; I104-F109 HydrophobicContact CG2-CB 4.2Å; I104-F109 HydrophobicContact CG2-CD2 4.32Å; I104-F109 HydrophobicContact CG2-CG 4.46Å; N105-F109 WeakPolarHBondContact O-CB 3.42Å; N105-F109 PolarHBondContact O-N 3.41Å; E106-F109 PolarHBondContact O-N 3.42Å; N107-F109 VanDerWaalsContact C-N 3.34Å; F109-F111 VanDerWaalsContact C-N 3.33Å; F109-F111 PolarHBondContact O-N 3.41Å; F109-H112 WeakPolarHBondContact O-CB 2.92Å; F109-H112 PolarHBondContact O-N 3.37Å; F109-H112 VanDerWaalsContact O-N 3.11Å; F109-L113 HydrophobicContact CD1-CD1 3.88Å; F109-L113 HydrophobicContact CD1-CG 4.38Å; F109-L113 HydrophobicContact CE1-CD1 3.45Å; F109-L113 VanDerWaalsContact CE1-CD1 3.45Å; F109-L113 HydrophobicContact CE1-CG 4.17Å; F109-L113 HydrophobicContact CZ-CD1 4.21Å; F109-L113 WeakPolarHBondContact O-CG 2.89Å; F109-L113 PolarHBondContact O-N 3.5Å
110	C	91.9	Very high	84.9	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-69.2	-30.2	179.7	-66.9	0	0	0	0	113.3	C45 T46 E106 N107 L113 G114 L115 C116	C45-C110 HydrophobicContact CB-CB 3.77Å; C45-C110 WeakPolarHBondContact CB-SG 3.35Å; C45-C110 WeakPolarHBondContact SG-CA 3.4Å; C45-C110 WeakPolarHBondContact SG-CB 3.3Å; C45-C110 CovalentContact SG-SG 2.03Å; C45-C110 PolarHBondContact SG-SG 3.05Å; T46-C110 HydrophobicContact CG2-CB 4.1Å; T46-C110 PolarHBondContact N-SG 3.39Å; E106-C110 VanDerWaalsContact O-CB 3.29Å; E106-C110 WeakPolarHBondContact O-CB 3.35Å; E106-C110 PolarHBondContact O-N 3.39Å; E106-C110 PolarHBondContact O-SG 3.29Å; N107-C110 PolarHBondContact O-N 3.5Å; C110-L113 PolarHBondContact O-N 3.31Å; C110-G114 PolarHBondContact O-N 3.24Å; C110-L115 PolarHBondContact O-N 3.19Å; C110-C116 HydrophobicContact CB-CB 4.33Å; C110-C116 WeakPolarHBondContact CB-SG 3.17Å; C110-C116 PolarHBondContact O-N 3.27Å
111	F	89.4	Confident	82.9	Confident	107 Å²	107	79.9 Å²	79.9	47%	0.469	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-42	168.9	178.7	-90.8	0	0	0	111.3	N107 N108 F109 L113 G114 C116	N107-F111 WeakPolarHBondContact O-CB 3.46Å; N107-F111 PolarHBondContact O-N 3.5Å; N108-F111 PolarHBondContact O-N 3.41Å; F109-F111 VanDerWaalsContact C-N 3.33Å; F109-F111 PolarHBondContact O-N 3.41Å; F111-L113 PolarHBondContact O-N 3.15Å; F111-G114 WeakPolarHBondContact O-CA 2.89Å; F111-G114 PolarHBondContact O-N 2.03Å; F111-C116 WeakPolarHBondContact CA-O 3.13Å; F111-C116 HydrophobicContact CB-CB 4.36Å; F111-C116 WeakPolarHBondContact CD2-O 3.49Å
112	H	88.6	Confident	81	Confident	169 Å²	169	81.8 Å²	81.8	78%	0.782	47%	0.465	S	S	*	.	H	α-helix	trans	-64.6	-31.4	176.5	-159.8	75.8	0	0	0	112.4	N108 F109 G114	N108-H112 WeakPolarHBondContact O-CB 3.34Å; N108-H112 PolarHBondContact O-N 3.4Å; F109-H112 WeakPolarHBondContact O-CB 2.92Å; F109-H112 PolarHBondContact O-N 3.37Å; F109-H112 VanDerWaalsContact O-N 3.11Å; H112-G114 PolarHBondContact O-N 3.39Å
113	L	87.6	Confident	79	Confident	95 Å²	95	82 Å²	82	50%	0.497	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.5	171.3	-64.6	-178.2	0	0	0	113.7	F109 C110 F111 L115	F109-L113 HydrophobicContact CD1-CD1 3.88Å; F109-L113 HydrophobicContact CD1-CG 4.38Å; F109-L113 HydrophobicContact CE1-CD1 3.45Å; F109-L113 VanDerWaalsContact CE1-CD1 3.45Å; F109-L113 HydrophobicContact CE1-CG 4.17Å; F109-L113 HydrophobicContact CZ-CD1 4.21Å; F109-L113 WeakPolarHBondContact O-CG 2.89Å; F109-L113 PolarHBondContact O-N 3.5Å; C110-L113 PolarHBondContact O-N 3.31Å; F111-L113 PolarHBondContact O-N 3.15Å; L113-L115 HydrophobicContact CB-CD1 3.91Å; L113-L115 HydrophobicContact CB-CG 4.03Å; L113-L115 HydrophobicContact CD1-CD1 4.07Å; L113-L115 PolarHBondContact O-N 3.16Å
114	G	83.5	Confident	77	Confident	63 Å²	63	79.9 Å²	79.9	65%	0.649	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	11.7	-176.1	0	0	0	0	0	114.2	C110 F111 H112	C110-G114 PolarHBondContact O-N 3.24Å; F111-G114 WeakPolarHBondContact O-CA 2.89Å; F111-G114 PolarHBondContact O-N 2.03Å; H112-G114 PolarHBondContact O-N 3.39Å
115	L	85.6	Confident	74.9	Confident	60 Å²	60	81.6 Å²	81.6	31%	0.314	47%	0.466	S	S	.	.	S	Bend	trans	-87.7	-23.1	-179.7	-62.3	170.5	0	0	0	112	C42 C45 C110 L113	C42-L115 WeakPolarHBondContact CA-O 3.34Å; C42-L115 VanDerWaalsContact CB-O 3.32Å; C42-L115 WeakPolarHBondContact CB-O 3.49Å; C45-L115 HydrophobicContact CB-CB 4.14Å; C45-L115 HydrophobicContact CB-CD1 3.77Å; C110-L115 PolarHBondContact O-N 3.19Å; L113-L115 HydrophobicContact CB-CD1 3.91Å; L113-L115 HydrophobicContact CB-CG 4.03Å; L113-L115 HydrophobicContact CD1-CD1 4.07Å; L113-L115 PolarHBondContact O-N 3.16Å
116	C	85.6	Confident	72.8	Confident	14 Å²	14	86.3 Å²	86.3	10%	0.095	49%	0.486	C	S	.	.	S	Bend	trans	-114.8	136	170	-60.7	0	0	0	0	109.6	C42 C110 F111	C42-C116 WeakPolarHBondContact CA-SG 3.24Å; C42-C116 HydrophobicContact CB-CB 4.01Å; C42-C116 WeakPolarHBondContact CB-SG 3.25Å; C42-C116 WeakPolarHBondContact SG-CB 3.34Å; C42-C116 CovalentContact SG-SG 2.04Å; C42-C116 PolarHBondContact SG-SG 3.48Å; C110-C116 HydrophobicContact CB-CB 4.33Å; C110-C116 WeakPolarHBondContact CB-SG 3.17Å; C110-C116 PolarHBondContact O-N 3.27Å; F111-C116 WeakPolarHBondContact CA-O 3.13Å; F111-C116 HydrophobicContact CB-CB 4.36Å; F111-C116 WeakPolarHBondContact CD2-O 3.49Å
117	S	74	Confident	70.8	Confident	67 Å²	67	92.6 Å²	92.6	47%	0.469	51%	0.513	S	S	.	.			trans	-122	138.7	172.2	-173.6	0	0	0	0	110	T119 I120	S117-T119 PolarHBondContact OG-N 3.27Å; S117-I120 PolarHBondContact OG-N 3.04Å
118	S	65.2	Low	68.6	Low	96 Å²	96	95.2 Å²	95.2	67%	0.671	53%	0.532	S	S	*	.	S	Bend	trans	-84.3	-15.6	176.9	53.4	0	0	0	0	113.3
119	T	58	Low	66.5	Low	114 Å²	114	94.9 Å²	94.9	70%	0.699	53%	0.529	S	S	*	.	S	Bend	trans	-142.7	-6.1	-163.8	41.9	0	0	0	0	115.8	S117	S117-T119 PolarHBondContact OG-N 3.27Å
120	I	52.5	Low	64	Low	103 Å²	103	95.4 Å²	95.4	53%	0.528	54%	0.541	S	S	.	.			trans	-119.3	115.4	-170.4	-50.6	178.3	0	0	0	110.6	S117 C122 P123	S117-I120 PolarHBondContact OG-N 3.04Å; I120-C122 PolarHBondContact O-N 3.35Å; I120-P123 HydrophobicContact CG2-CG 3.85Å
121	P	49.6	Very low	61.9	Low	121 Å²	121	105.2 Å²	105.2	79%	0.786	58%	0.579	S	S	*	*			trans	-62.7	119.4	165.5	25.4	-29.8	0	0	0	108.3	P123	P121-P123 WeakPolarHBondContact O-CD 3.46Å
122	C	52	Low	59.9	Low	49 Å²	49	105.9 Å²	105.9	33%	0.331	59%	0.588	S	S	.	*			trans	-10.7	103.2	176.3	-71	0	0	0	0	117.2	C38 I120	C38-C122 HydrophobicContact CB-CB 4.34Å; C38-C122 WeakPolarHBondContact CB-SG 3.47Å; C38-C122 PolarHBondContact N-SG 2.74Å; C38-C122 VanDerWaalsContact N-SG 3.39Å; C38-C122 WeakPolarHBondContact SG-CA 3.38Å; C38-C122 WeakPolarHBondContact SG-CB 3.37Å; C38-C122 CovalentContact SG-SG 2.03Å; C38-C122 PolarHBondContact SG-SG 3.37Å; I120-C122 PolarHBondContact O-N 3.35Å
123	P	47.7	Very low	58	Low	94 Å²	94	104.4 Å²	104.4	61%	0.61	59%	0.585	S	S	*	*			trans	-78.2	124.6	153.4	-1.3	20.3	0	0	0	107.5	I120 P121 F125	I120-P123 HydrophobicContact CG2-CG 3.85Å; P121-P123 WeakPolarHBondContact O-CD 3.46Å; P123-F125 PolarHBondContact O-N 3.31Å
124	S	50.4	Low	56.1	Low	61 Å²	61	107.9 Å²	107.9	43%	0.427	60%	0.604	S	S	.	*			trans	-33.8	127.8	171.2	55.4	0	0	0	0	111.7	Q126	S124-Q126 PolarHBondContact O-N 3.18Å
125	F	49.8	Very low	54	Low	97 Å²	97	109.4 Å²	109.4	43%	0.425	61%	0.605	S	S	.	*	S	Bend	trans	-54.1	9.6	176.4	-174.1	-100	0	0	0	115.3	L31 P123 K127 L129	L31-F125 HydrophobicContact CD1-CD1 4.25Å; L31-F125 HydrophobicContact CD1-CE1 3.79Å; L31-F125 HydrophobicContact CD1-CZ 4.45Å; L31-F125 HydrophobicContact CD2-CE1 3.73Å; L31-F125 HydrophobicContact CG-CE1 4.18Å; P123-F125 PolarHBondContact O-N 3.31Å; F125-K127 PolarHBondContact O-N 2.71Å; F125-L129 HydrophobicContact CE1-CD1 4.07Å; F125-L129 HydrophobicContact CZ-CD1 3.68Å; F125-L129 HydrophobicContact CZ-CG 4.45Å
126	Q	49.6	Very low	51.9	Low	168 Å²	168	116.7 Å²	116.7	79%	0.785	65%	0.652	S	S	*	*			trans	-90	34.8	-164.7	-151.7	-169.6	-64.4	0	0	115.3	S124	S124-Q126 PolarHBondContact O-N 3.18Å
127	K	50.3	Low	50.2	Low	175 Å²	175	121.8 Å²	121.8	76%	0.761	68%	0.679	S	S	*	*	S	Bend	trans	-145.3	-20.4	170.3	-143.5	168.9	-176.2	178.2	0	119.2	F125	F125-K127 PolarHBondContact O-N 2.71Å
128	T	44.7	Very low	48.9	Very low	137 Å²	137	124.7 Å²	124.7	84%	0.84	69%	0.69	S	S	*	*	S	Bend	trans	-90.2	-22	-167.6	-43.7	0	0	0	0	114.8
129	L	47.9	Very low	48	Very low	107 Å²	107	126.3 Å²	126.3	56%	0.56	69%	0.692	S	S	*	*	S	Bend	trans	-92.7	4.9	176.8	-67	178.5	0	0	0	114.5	F125	F125-L129 HydrophobicContact CE1-CD1 4.07Å; F125-L129 HydrophobicContact CZ-CD1 3.68Å; F125-L129 HydrophobicContact CZ-CG 4.45Å
130	T	40.7	Very low	47.4	Very low	107 Å²	107	127 Å²	127	66%	0.656	69%	0.691	S	S	*	*	S	Bend	trans	-126.7	72	-177.6	62.5	0	0	0	0	111
131	Y	48	Very low	47.1	Very low	206 Å²	206	128.5 Å²	128.5	81%	0.808	70%	0.701	S	S	*	*	S	Bend	trans	-157.3	-28.1	146.5	-163.4	-114.7	0	0	0	114.1
132	N	47.3	Very low	46.9	Very low	121 Å²	121	129 Å²	129	65%	0.647	70%	0.696	S	S	*	*	S	Bend	trans	-117.6	-6.2	-169.3	-74.2	-4.5	0	0	0	117.8
133	D	48	Very low	46.6	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	72%	0.722	S	S	*	*	S	Bend	trans	-98.7	4.1	179.5	-63.1	-36.9	0	0	0	114.4
134	L	47.3	Very low	46.5	Very low	169 Å²	169	137.8 Å²	137.8	89%	0.885	73%	0.73	S	S	*	*	S	Bend	trans	-127.9	46	174.2	-155.2	74	0	0	0	112.2
135	S	40.1	Very low	46.2	Very low	95 Å²	95	144.3 Å²	144.3	66%	0.664	76%	0.755	S	S	*	*			trans	-136.8	68.8	159.8	70.4	0	0	0	0	110.2
136	T	40.1	Very low	45.8	Very low	212 Å²	212	148.5 Å²	148.5	100%	1.301	79%	0.785	S	S	*	*			trans	-137.2	0	152.3	-56.3	0	0	0	0	106.6

Retrieved 136 of 136 residues in 116.7 ms (Link to these results)

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