A0A077ZFG2_TRITR Loading...

Sorting nexin-3

Required for retention of late Golgi membrane proteins. Component of the retrieval machinery that functions by direct interaction with the cytosolic tails of certain TGN membrane proteins during the sorting/budding process at the prevacuolar compartment. Binds phosphatidylinositol 3-phosphate (PtdIns(P3)).

AlphaFold DB , UniProt , Accession A0A077ZFG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 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	51.3	Low	74.2	Confident	237 Å²	237	142.6 Å²	142.6	100%	1.167	80%	0.799	S	S	*	*				0	107	0	-71.7	174.8	-170.3	0	0	107.6	T3	M1-T3 PolarHBondContact O-N 3.17Å
2	S	65.8	Low	74.5	Confident	114 Å²	114	141.5 Å²	141.5	80%	0.797	80%	0.799	S	S	*	*			trans	-75.5	108.1	176.8	47.6	0	0	0	0	109.3	L4	S2-L4 PolarHBondContact O-N 3.32Å; S2-L4 VanDerWaalsContact O-N 3.16Å
3	T	68.8	Low	74.8	Confident	135 Å²	135	143.6 Å²	143.6	83%	0.828	79%	0.794	S	S	*	*			trans	-73.3	98.5	174.5	51.5	0	0	0	0	108.7	M1 S5	M1-T3 PolarHBondContact O-N 3.17Å; T3-S5 PolarHBondContact O-N 3.47Å
4	L	71.7	Confident	75.2	Confident	137 Å²	137	149.9 Å²	149.9	72%	0.717	80%	0.8	S	S	*	*			trans	-66.5	131.2	167.4	-66.2	167.2	0	0	0	107.9	S2 A6	S2-L4 PolarHBondContact O-N 3.32Å; S2-L4 VanDerWaalsContact O-N 3.16Å; L4-A6 PolarHBondContact O-N 3.29Å
5	S	78	Confident	75.5	Confident	71 Å²	71	148.6 Å²	148.6	50%	0.497	79%	0.787	S	S	.	*			trans	-66	133.1	176.7	178.4	0	0	0	0	109.4	T3 T7 Q8	T3-S5 PolarHBondContact O-N 3.47Å; S5-T7 PolarHBondContact O-N 3.16Å; S5-T7 PolarHBondContact OG-N 3.2Å; S5-T7 PolarHBondContact OG-OG1 3.49Å; S5-T7 VanDerWaalsContact OG-OG1 3.06Å; S5-Q8 VanDerWaalsContact O-CB 3.27Å; S5-Q8 WeakPolarHBondContact O-CB 3.39Å; S5-Q8 PolarHBondContact O-N 2.97Å
6	A	79.4	Confident	76.1	Confident	112 Å²	112	143.2 Å²	143.2	93%	0.926	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-18.3	176.7	0	0	0	0	0	113.3	L4	L4-A6 PolarHBondContact O-N 3.29Å
7	T	80.3	Confident	76.5	Confident	126 Å²	126	142.5 Å²	142.5	77%	0.773	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	7.8	177.2	58.1	0	0	0	0	113.7	S5 R9	S5-T7 PolarHBondContact O-N 3.16Å; S5-T7 PolarHBondContact OG-N 3.2Å; S5-T7 PolarHBondContact OG-OG1 3.49Å; S5-T7 VanDerWaalsContact OG-OG1 3.06Å; T7-R9 PolarHBondContact O-N 3.1Å
8	Q	81.7	Confident	76.9	Confident	120 Å²	120	142.2 Å²	142.2	56%	0.561	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-62.5	125.5	177.4	-171.2	167.6	17.4	0	0	109.7	S5 L10	S5-Q8 VanDerWaalsContact O-CB 3.27Å; S5-Q8 WeakPolarHBondContact O-CB 3.39Å; S5-Q8 PolarHBondContact O-N 2.97Å; Q8-L10 PolarHBondContact O-N 3.19Å
9	R	80.6	Confident	77.1	Confident	235 Å²	235	140.2 Å²	140.2	89%	0.887	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-58.2	123.9	173.9	-77.8	-171.7	178.5	-164.6	0	108.7	T7	T7-R9 PolarHBondContact O-N 3.1Å
10	L	79.8	Confident	77.3	Confident	152 Å²	152	135.9 Å²	135.9	80%	0.796	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-57.9	131.1	169.3	-74.1	157.9	0	0	0	108.1	Q8 T12	Q8-L10 PolarHBondContact O-N 3.19Å; L10-T12 PolarHBondContact O-N 3.39Å
11	P	78.5	Confident	77.6	Confident	130 Å²	130	138.7 Å²	138.7	84%	0.844	73%	0.729	S	S	*	*			trans	-61.2	112.6	169.1	24.2	-29.9	0	0	0	107.8
12	T	77.8	Confident	78.8	Confident	129 Å²	129	129.9 Å²	129.9	79%	0.791	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-80.5	134.2	173.1	54.8	0	0	0	0	108.6	L10 R14	L10-T12 PolarHBondContact O-N 3.39Å; T12-R14 PolarHBondContact O-N 3.39Å
13	K	79.2	Confident	79	Confident	169 Å²	169	129.3 Å²	129.3	74%	0.735	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-61.1	137.4	168.6	-171.1	-178.9	174.9	-171.7	0	107.8	Q15	K13-Q15 PolarHBondContact O-N 3.34Å
14	R	79.9	Confident	79	Confident	232 Å²	232	127.1 Å²	127.1	88%	0.875	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.6	124.3	169	-95	-173.8	174.4	-176.5	-1.4	107.9	T12 T16	T12-R14 PolarHBondContact O-N 3.39Å; R14-T16 PolarHBondContact O-N 3.01Å
15	Q	79.4	Confident	79.3	Confident	130 Å²	130	125.3 Å²	125.3	61%	0.607	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-57.1	127.7	173.2	-170	176.2	21	0	0	108.7	K13 E19 A20	K13-Q15 PolarHBondContact O-N 3.34Å; Q15-E19 HydrophobicContact CG-CB 3.99Å; Q15-E19 HydrophobicContact CG-CG 4Å; Q15-A20 HydrophobicContact CG-CB 4.36Å
16	T	84.5	Confident	79.8	Confident	62 Å²	62	127 Å²	127	38%	0.38	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-79.1	160.5	174.7	64.7	0	0	0	0	109.8	R14 D18 E19 A20	R14-T16 PolarHBondContact O-N 3.01Å; T16-D18 PolarHBondContact O-N 2.89Å; T16-E19 PolarHBondContact O-N 3.24Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 PolarHBondContact OG1-N 2.92Å; T16-E19 VanDerWaalsContact OG1-N 3.17Å; T16-A20 PolarHBondContact O-N 3.02Å
17	L	83.1	Confident	80.4	Confident	132 Å²	132	124.4 Å²	124.4	69%	0.691	65%	0.651	S	S	*	*	H	α-helix	trans	-58.2	-42	173.5	-70	174.8	0	0	0	110.8	E19 A20 Y21	L17-E19 VanDerWaalsContact C-N 3.3Å; L17-E19 PolarHBondContact O-N 3.4Å; L17-A20 WeakPolarHBondContact O-CB 3.43Å; L17-A20 PolarHBondContact O-N 3.49Å; L17-A20 VanDerWaalsContact O-N 3.1Å; L17-Y21 WeakPolarHBondContact O-CD2 3.27Å; L17-Y21 PolarHBondContact O-N 3.03Å
18	D	83.9	Confident	81.1	Confident	137 Å²	137	120 Å²	120	73%	0.733	62%	0.623	S	S	*	*	H	α-helix	trans	-60.1	-38.5	177.3	-58.1	-32.9	0	0	0	112.6	T16 Y21 A22	T16-D18 PolarHBondContact O-N 2.89Å; D18-Y21 CarbonylContact O-C 3.53Å; D18-Y21 PolarHBondContact O-N 3.18Å; D18-A22 WeakPolarHBondContact O-CB 3.1Å; D18-A22 PolarHBondContact O-N 3.06Å
19	E	81.4	Confident	81.8	Confident	104 Å²	104	119.8 Å²	119.8	49%	0.486	62%	0.622	S	S	.	*	H	α-helix	trans	-72.7	-31.4	176.5	-173.1	175	-174	0	0	112.1	Q15 T16 L17 Y21	Q15-E19 HydrophobicContact CG-CB 3.99Å; Q15-E19 HydrophobicContact CG-CG 4Å; T16-E19 PolarHBondContact O-N 3.24Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 PolarHBondContact OG1-N 2.92Å; T16-E19 VanDerWaalsContact OG1-N 3.17Å; L17-E19 VanDerWaalsContact C-N 3.3Å; L17-E19 PolarHBondContact O-N 3.4Å; E19-Y21 VanDerWaalsContact C-N 3.3Å
20	A	80.3	Confident	82.6	Confident	54 Å²	54	108.9 Å²	108.9	45%	0.446	58%	0.581	S	S	.	*	H	α-helix	trans	-68.9	-29	173.4	0	0	0	0	0	112.7	Q15 T16 L17	Q15-A20 HydrophobicContact CG-CB 4.36Å; T16-A20 PolarHBondContact O-N 3.02Å; L17-A20 WeakPolarHBondContact O-CB 3.43Å; L17-A20 PolarHBondContact O-N 3.49Å; L17-A20 VanDerWaalsContact O-N 3.1Å
21	Y	83.3	Confident	83.5	Confident	194 Å²	194	105.9 Å²	105.9	76%	0.761	56%	0.563	S	S	*	*	S	Bend	trans	-101.2	0.9	177	-67	-68.2	0	0	0	114	L17 D18 E19	L17-Y21 WeakPolarHBondContact O-CD2 3.27Å; L17-Y21 PolarHBondContact O-N 3.03Å; D18-Y21 CarbonylContact O-C 3.53Å; D18-Y21 PolarHBondContact O-N 3.18Å; E19-Y21 VanDerWaalsContact C-N 3.3Å
22	A	77.6	Confident	84.5	Confident	53 Å²	53	99.7 Å²	99.7	44%	0.438	52%	0.523	S	S	.	.	S	Bend	trans	-65.2	148.7	177.4	0	0	0	0	0	110.5	D18	D18-A22 WeakPolarHBondContact O-CB 3.1Å; D18-A22 PolarHBondContact O-N 3.06Å
23	P	69.5	Low	85.5	Confident	101 Å²	101	94.8 Å²	94.8	66%	0.656	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-53	148.8	169	-23.3	32.8	0	0	0	110.9
24	P	69.5	Low	86.4	Confident	90 Å²	90	91.5 Å²	91.5	58%	0.584	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-51.4	151.5	-177.9	-25.3	32.2	0	0	0	113.4	N26 N55	P24-N26 PolarHBondContact O-N 2.94Å; P24-N55 PolarHBondContact O-ND2 3.45Å; P24-N55 VanDerWaalsContact O-ND2 3.16Å
25	A	77.1	Confident	87.3	Confident	98 Å²	98	82.4 Å²	82.4	81%	0.81	46%	0.458	S	S	*	.	S	Bend	trans	-49.7	-31.9	-172.6	0	0	0	0	0	114.6
26	N	88	Confident	88.1	Confident	106 Å²	106	79.2 Å²	79.2	57%	0.567	45%	0.448	S	S	*	.	S	Bend	trans	-165.5	143.1	164.8	-79.3	-51.6	0	0	0	109.1	P24 N55 L56	P24-N26 PolarHBondContact O-N 2.94Å; N26-N55 VanDerWaalsContact CA-OD1 3.26Å; N26-N55 WeakPolarHBondContact CA-OD1 3.46Å; N26-L56 HydrophobicContact CB-CD2 3.7Å
27	F	92.7	Very high	88.8	Confident	59 Å²	59	78.3 Å²	78.3	26%	0.259	44%	0.442	S	S	.	.			trans	-141.5	150.4	174.6	76	-91	0	0	0	111.9	E29 K53 T54 N55	F27-E29 HydrophobicContact CD2-CG 4.14Å; F27-K53 HydrophobicContact CE2-CB 4.04Å; F27-T54 VanDerWaalsContact O-CA 3.28Å; F27-T54 WeakPolarHBondContact O-CA 3.39Å; F27-T54 WeakPolarHBondContact O-CB 3.26Å; F27-T54 PolarHBondContact O-OG1 3.16Å; F27-N55 HydrophobicContact CD1-CB 4Å; F27-N55 VanDerWaalsContact CD1-CG 3.48Å; F27-N55 HydrophobicContact CE1-CB 3.67Å; F27-N55 HydrophobicContact CZ-CB 4.38Å; F27-N55 PolarHBondContact N-OD1 3.07Å; F27-N55 PolarHBondContact O-N 3.26Å; F27-N55 PolarHBondContact O-OD1 3.3Å
28	L	95.4	Very high	89.5	Confident	34 Å²	34	75 Å²	75	18%	0.178	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	113.8	169.3	172	63.4	0	0	0	106.8	I30 M52 K53 T54 L56 F59 A129	L28-I30 HydrophobicContact CD1-CD1 4.41Å; L28-I30 HydrophobicContact CD1-CG1 4.28Å; L28-I30 HydrophobicContact CG-CD1 4.48Å; L28-I30 HydrophobicContact CG-CG1 4.5Å; L28-M52 HydrophobicContact CD1-CG 3.58Å; L28-M52 HydrophobicContact CD1-SD 3.86Å; L28-K53 WeakPolarHBondContact CA-O 3.41Å; L28-T54 HydrophobicContact CD1-CG2 4.34Å; L28-L56 HydrophobicContact CB-CD1 3.9Å; L28-L56 HydrophobicContact CD2-CD1 4.31Å; L28-F59 HydrophobicContact CD1-CD2 4.45Å; L28-F59 HydrophobicContact CD1-CE2 4.03Å; L28-F59 HydrophobicContact CD1-CZ 4.41Å; L28-F59 HydrophobicContact CD2-CE2 3.81Å; L28-F59 HydrophobicContact CD2-CZ 4.07Å; L28-A129 HydrophobicContact CD2-CB 3.8Å; L28-A129 VanDerWaalsContact CD2-O 3.23Å; L28-A129 WeakPolarHBondContact CD2-O 3.47Å
29	E	95.5	Very high	90	Very high	114 Å²	114	70.9 Å²	70.9	53%	0.533	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	-177.6	-68.9	172.3	-178.6	0	0	108.3	F27 M52 K53	F27-E29 HydrophobicContact CD2-CG 4.14Å; E29-M52 CarbonylContact O-C 3.6Å; E29-M52 WeakPolarHBondContact O-CA 3.28Å; E29-K53 PolarHBondContact N-O 2.78Å; E29-K53 PolarHBondContact O-N 3.43Å
30	I	98.6	Very high	90.5	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.031	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.4	178.6	-56.8	171.9	0	0	0	109	L28 V50 R51 M52 I125 N126 A129 L144	L28-I30 HydrophobicContact CD1-CD1 4.41Å; L28-I30 HydrophobicContact CD1-CG1 4.28Å; L28-I30 HydrophobicContact CG-CD1 4.48Å; L28-I30 HydrophobicContact CG-CG1 4.5Å; I30-V50 HydrophobicContact CG2-CG1 3.68Å; I30-R51 CarbonylContact C-O 3.56Å; I30-R51 VanDerWaalsContact CA-O 3.26Å; I30-R51 WeakPolarHBondContact CA-O 3.44Å; I30-M52 HydrophobicContact CD1-CG 4.5Å; I30-M52 HydrophobicContact CG1-CB 4.29Å; I30-M52 HydrophobicContact CG1-CG 3.94Å; I30-I125 HydrophobicContact CB-CG2 4.23Å; I30-I125 HydrophobicContact CD1-CG1 3.92Å; I30-I125 HydrophobicContact CG2-CG1 4.22Å; I30-I125 HydrophobicContact CG2-CG2 3.62Å; I30-N126 PolarHBondContact N-OD1 3.29Å; I30-N126 PolarHBondContact O-ND2 2.98Å; I30-N126 PolarHBondContact O-OD1 3.19Å; I30-A129 HydrophobicContact CD1-CB 3.4Å; I30-A129 VanDerWaalsContact CD1-CB 3.4Å; I30-L144 HydrophobicContact CD1-CD1 3.81Å; I30-L144 HydrophobicContact CD1-CD2 3.84Å; I30-L144 HydrophobicContact CG2-CD2 4.48Å
31	E	98.7	Very high	90.8	Very high	89 Å²	89	72.3 Å²	72.3	42%	0.416	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138	172.7	-63.1	173.8	156.6	0	0	108.8	V50 R51	E31-V50 WeakPolarHBondContact O-CA 3.33Å; E31-R51 HydrophobicContact CB-CB 4.32Å; E31-R51 PolarHBondContact N-O 3.25Å; E31-R51 PolarHBondContact O-N 3.32Å; E31-R51 IonicContact OE2-CZ 2.9Å; E31-R51 VanDerWaalsContact OE2-CZ 3.23Å; E31-R51 IonicContact OE2-NE 2.71Å; E31-R51 PolarHBondContact OE2-NE 2.76Å; E31-R51 IonicContact OE2-NH2 3.2Å; E31-R51 PolarHBondContact OE2-NH2 3.27Å
32	V	98.8	Very high	91	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	107.6	169.3	-177.5	0	0	0	0	106.8	Y48 E49 V50 F73 R118 L121 E122 I125	V32-Y48 HydrophobicContact CG1-CD1 4.21Å; V32-Y48 HydrophobicContact CG1-CG 3.94Å; V32-E49 CarbonylContact C-O 3.46Å; V32-E49 VanDerWaalsContact CA-O 3.31Å; V32-E49 WeakPolarHBondContact CA-O 3.35Å; V32-V50 HydrophobicContact CG2-CG2 4.38Å; V32-F73 HydrophobicContact CG2-CZ 4.4Å; V32-R118 HydrophobicContact CB-CG 4.35Å; V32-R118 HydrophobicContact CG1-CG 3.96Å; V32-R118 WeakPolarHBondContact O-CD 3.36Å; V32-R118 WeakPolarHBondContact O-CG 3.33Å; V32-R118 PolarHBondContact O-NH1 2.67Å; V32-L121 HydrophobicContact CG1-CB 4.36Å; V32-E122 HydrophobicContact CB-CB 3.96Å; V32-E122 HydrophobicContact CB-CG 4.41Å; V32-E122 HydrophobicContact CG2-CB 3.95Å; V32-E122 HydrophobicContact CG2-CG 4.31Å; V32-E122 PolarHBondContact N-OE1 3.4Å; V32-I125 HydrophobicContact CG2-CG2 3.92Å
33	C	98.4	Very high	91.7	Very high	26 Å²	26	77.4 Å²	77.4	18%	0.176	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	-175.4	-170.9	62.7	0	0	0	0	112	A35 E49	C33-A35 PolarHBondContact O-N 3.04Å; C33-E49 PolarHBondContact N-O 2.88Å; C33-E49 WeakPolarHBondContact O-CB 3.26Å; C33-E49 PolarHBondContact O-N 3.39Å
34	N	98.2	Very high	92.9	Very high	100 Å²	100	76.7 Å²	76.7	54%	0.535	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.8	56.6	169.4	-60.4	-24.2	0	0	0	112.9	V36 E49 R67	N34-V36 PolarHBondContact O-N 3Å; N34-E49 HydrophobicContact CB-CB 4.03Å; N34-E49 PolarHBondContact ND2-OE2 2.96Å; N34-R67 PolarHBondContact O-NH1 2.87Å; N34-R67 PolarHBondContact O-NH2 2.9Å
35	A	98.5	Very high	94.2	Very high	41 Å²	41	77.6 Å²	77.6	34%	0.339	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.8	175.1	0	0	0	0	0	109.6	C33 T46 D47 Y48 I114	C33-A35 PolarHBondContact O-N 3.04Å; A35-T46 HydrophobicContact CB-CG2 4.21Å; A35-D47 WeakPolarHBondContact CA-O 3.33Å; A35-Y48 HydrophobicContact CB-CD1 3.77Å; A35-Y48 HydrophobicContact CB-CE1 3.81Å; A35-I114 HydrophobicContact CB-CG2 3.33Å
36	V	98.3	Very high	95.1	Very high	64 Å²	64	73.7 Å²	73.7	39%	0.388	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.8	176.2	180	0	0	0	0	108.2	N34 T46 D47 R67	N34-V36 PolarHBondContact O-N 3Å; V36-T46 WeakPolarHBondContact O-CA 3.21Å; V36-D47 PolarHBondContact N-O 2.68Å; V36-D47 PolarHBondContact O-N 2.75Å; V36-R67 VanDerWaalsContact CB-NH2 3.29Å
37	T	97.7	Very high	95.6	Very high	43 Å²	43	69.3 Å²	69.3	26%	0.264	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.4	173.2	-55.8	0	0	0	0	109.9	R44 Y45 T46 F109	T37-R44 HydrophobicContact CG2-CG 3.39Å; T37-Y45 CarbonylContact C-O 3.53Å; T37-Y45 WeakPolarHBondContact CA-O 3.15Å; T37-T46 PolarHBondContact OG1-OG1 2.99Å; T37-F109 HydrophobicContact CG2-CD1 3.7Å; T37-F109 HydrophobicContact CG2-CE1 4.03Å
38	H	97.2	Very high	95.9	Very high	62 Å²	62	66.6 Å²	66.6	29%	0.287	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	156.9	-179.7	-57.5	-84	0	0	0	111	R44 Y45 D47	H38-R44 CarbonylContact O-C 3.52Å; H38-R44 WeakPolarHBondContact O-CA 3.48Å; H38-R44 WeakPolarHBondContact O-CG 3.26Å; H38-Y45 HydrophobicContact CB-CD1 4.28Å; H38-Y45 HydrophobicContact CB-CE1 3.79Å; H38-Y45 HydrophobicContact CB-CE2 4.05Å; H38-Y45 AromaticContact CD2-CE2 3.58Å; H38-Y45 AromaticContact CD2-CZ 3.95Å; H38-Y45 AromaticContact CG-CZ 3.95Å; H38-Y45 PolarHBondContact N-O 2.85Å; H38-Y45 PolarHBondContact O-N 3.19Å; H38-D47 IonicContact CD2-OD1 3.86Å; H38-D47 PolarHBondContact CD2-OD1 2.88Å; H38-D47 IonicContact CD2-OD2 3.68Å; H38-D47 IonicContact CE1-OD1 3.52Å; H38-D47 IonicContact NE2-OD1 3.25Å; H38-D47 PolarHBondContact NE2-OD1 3.09Å; H38-D47 IonicContact NE2-OD2 2.78Å; H38-D47 PolarHBondContact NE2-OD2 2.84Å
39	G	95.5	Very high	96.1	Very high	50 Å²	50	66.7 Å²	66.7	52%	0.515	37%	0.366	S	S	.	.	S	Bend	trans	70.1	-176.1	173.8	0	0	0	0	0	113.6
40	V	91.1	Very high	96.3	Very high	124 Å²	124	61.3 Å²	61.3	75%	0.752	34%	0.341	S	S	*	.	S	Bend	trans	-139.3	154.9	-177.4	-65.3	0	0	0	0	110.3	K42 N43	V40-K42 PolarHBondContact O-N 3.04Å; V40-N43 PolarHBondContact O-N 2.81Å
41	G	88.1	Confident	96.3	Very high	65 Å²	65	65.4 Å²	65.4	67%	0.67	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	55.9	-130.6	178.6	0	0	0	0	0	112.8	N43 R44	G41-N43 VanDerWaalsContact C-N 3.25Å; G41-N43 PolarHBondContact O-N 2.73Å; G41-R44 VanDerWaalsContact O-CB 3.25Å; G41-R44 WeakPolarHBondContact O-CB 3.36Å; G41-R44 PolarHBondContact O-N 2.84Å
42	K	86.6	Confident	96.3	Very high	218 Å²	218	61.2 Å²	61.2	95%	0.948	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-69.4	-19.5	-177.5	-65.3	-175.8	-179.7	179.9	0	114.3	V40 R44	V40-K42 PolarHBondContact O-N 3.04Å; K42-R44 VanDerWaalsContact C-N 3.32Å
43	N	91.4	Very high	96.2	Very high	135 Å²	135	65 Å²	65	72%	0.722	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-93.2	5.4	178.7	-64.4	-25.8	0	0	0	112	V40 G41	V40-N43 PolarHBondContact O-N 2.81Å; G41-N43 VanDerWaalsContact C-N 3.25Å; G41-N43 PolarHBondContact O-N 2.73Å
44	R	95.2	Very high	96.1	Very high	86 Å²	86	63.9 Å²	63.9	33%	0.325	35%	0.345	S	S	.	.			trans	-73	135.6	179.6	-165.8	178.1	-174.9	-159.4	-10.1	110.5	T37 H38 G41 K42 D106 F109	T37-R44 HydrophobicContact CG2-CG 3.39Å; H38-R44 CarbonylContact O-C 3.52Å; H38-R44 WeakPolarHBondContact O-CA 3.48Å; H38-R44 WeakPolarHBondContact O-CG 3.26Å; G41-R44 VanDerWaalsContact O-CB 3.25Å; G41-R44 WeakPolarHBondContact O-CB 3.36Å; G41-R44 PolarHBondContact O-N 2.84Å; K42-R44 VanDerWaalsContact C-N 3.32Å; R44-D106 IonicContact NH1-OD2 3.9Å; R44-D106 PolarHBondContact NH1-OD2 3Å; R44-F109 HydrophobicContact CB-CE1 4.13Å; R44-F109 HydrophobicContact CB-CE2 4.49Å; R44-F109 HydrophobicContact CB-CZ 3.87Å; R44-F109 HydrophobicContact CG-CD1 4.13Å; R44-F109 HydrophobicContact CG-CE1 3.7Å; R44-F109 HydrophobicContact CG-CZ 3.91Å; R44-F109 WeakPolarHBondContact O-CZ 3.43Å
45	Y	96.4	Very high	95.9	Very high	109 Å²	109	61.4 Å²	61.4	43%	0.427	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.9	174.7	66.7	-88.1	0	0	0	111.6	T37 H38 D47	T37-Y45 CarbonylContact C-O 3.53Å; T37-Y45 WeakPolarHBondContact CA-O 3.15Å; H38-Y45 HydrophobicContact CB-CD1 4.28Å; H38-Y45 HydrophobicContact CB-CE1 3.79Å; H38-Y45 HydrophobicContact CB-CE2 4.05Å; H38-Y45 AromaticContact CD2-CE2 3.58Å; H38-Y45 AromaticContact CD2-CZ 3.95Å; H38-Y45 AromaticContact CG-CZ 3.95Å; H38-Y45 PolarHBondContact N-O 2.85Å; H38-Y45 PolarHBondContact O-N 3.19Å; Y45-D47 HydrophobicContact CE2-CB 4.48Å
46	T	97.9	Very high	95.6	Very high	17 Å²	17	60.6 Å²	60.6	10%	0.104	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.9	175.2	-55	0	0	0	0	110.1	A35 V36 T37 Y48 I114	A35-T46 HydrophobicContact CB-CG2 4.21Å; V36-T46 WeakPolarHBondContact O-CA 3.21Å; T37-T46 PolarHBondContact OG1-OG1 2.99Å; T46-Y48 HydrophobicContact CG2-CE1 4.39Å; T46-Y48 HydrophobicContact CG2-CE2 4.48Å; T46-I114 HydrophobicContact CG2-CD1 4.18Å; T46-I114 HydrophobicContact CG2-CG1 4.33Å; T46-I114 HydrophobicContact CG2-CG2 4.11Å
47	D	98.5	Very high	95.4	Very high	14 Å²	14	62 Å²	62	8%	0.075	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	168.7	168.2	70.5	-16	0	0	0	110.4	A35 V36 H38 Y45 R67 R68 R69	A35-D47 WeakPolarHBondContact CA-O 3.33Å; V36-D47 PolarHBondContact N-O 2.68Å; V36-D47 PolarHBondContact O-N 2.75Å; H38-D47 IonicContact CD2-OD1 3.86Å; H38-D47 PolarHBondContact CD2-OD1 2.88Å; H38-D47 IonicContact CD2-OD2 3.68Å; H38-D47 IonicContact CE1-OD1 3.52Å; H38-D47 IonicContact NE2-OD1 3.25Å; H38-D47 PolarHBondContact NE2-OD1 3.09Å; H38-D47 IonicContact NE2-OD2 2.78Å; H38-D47 PolarHBondContact NE2-OD2 2.84Å; Y45-D47 HydrophobicContact CE2-CB 4.48Å; D47-R67 VanDerWaalsContact CG-NH2 3.29Å; D47-R67 PolarHBondContact O-NH2 2.75Å; D47-R67 VanDerWaalsContact O-NH2 3.1Å; D47-R67 IonicContact OD1-CZ 2.73Å; D47-R67 IonicContact OD1-NE 3.53Å; D47-R67 PolarHBondContact OD1-NE 3.3Å; D47-R67 IonicContact OD1-NH2 3.79Å; D47-R67 PolarHBondContact OD1-NH2 2.86Å; D47-R67 WeakPolarHBondContact OD2-CB 3.07Å; D47-R67 IonicContact OD2-CZ 3.04Å; D47-R67 IonicContact OD2-NE 3.38Å; D47-R67 PolarHBondContact OD2-NE 3.39Å; D47-R67 IonicContact OD2-NH2 2.87Å; D47-R68 CarbonylContact C-O 3.53Å; D47-R68 WeakPolarHBondContact CA-O 3.44Å; D47-R69 HydrophobicContact CB-CB 4.26Å
48	Y	98.8	Very high	95.2	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.3	-176.2	-52.2	-92	0	0	0	108.9	V32 A35 T46 R67 R68 I114 R117 R118 L121	V32-Y48 HydrophobicContact CG1-CD1 4.21Å; V32-Y48 HydrophobicContact CG1-CG 3.94Å; A35-Y48 HydrophobicContact CB-CD1 3.77Å; A35-Y48 HydrophobicContact CB-CE1 3.81Å; T46-Y48 HydrophobicContact CG2-CE1 4.39Å; T46-Y48 HydrophobicContact CG2-CE2 4.48Å; Y48-R67 WeakPolarHBondContact O-CA 3.06Å; Y48-R68 WeakPolarHBondContact CD2-O 3.27Å; Y48-R68 PolarHBondContact N-O 3.23Å; Y48-R68 PolarHBondContact O-N 3.08Å; Y48-I114 HydrophobicContact CE1-CG2 4Å; Y48-R117 WeakPolarHBondContact OH-CD 3.33Å; Y48-R118 HydrophobicContact CD1-CB 3.98Å; Y48-R118 HydrophobicContact CD1-CG 3.89Å; Y48-R118 HydrophobicContact CE1-CB 3.76Å; Y48-R118 HydrophobicContact CE1-CG 4.21Å; Y48-L121 HydrophobicContact CD2-CD1 3.66Å; Y48-L121 HydrophobicContact CE2-CD1 3.52Å; Y48-L121 HydrophobicContact CG-CD1 4.34Å
49	E	98.8	Very high	95.1	Very high	37 Å²	37	58.7 Å²	58.7	17%	0.173	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.2	166.5	-162	-178.4	164.2	0	0	108.5	V32 C33 N34 R51 S65 R67	V32-E49 CarbonylContact C-O 3.46Å; V32-E49 VanDerWaalsContact CA-O 3.31Å; V32-E49 WeakPolarHBondContact CA-O 3.35Å; C33-E49 PolarHBondContact N-O 2.88Å; C33-E49 WeakPolarHBondContact O-CB 3.26Å; C33-E49 PolarHBondContact O-N 3.39Å; N34-E49 HydrophobicContact CB-CB 4.03Å; N34-E49 PolarHBondContact ND2-OE2 2.96Å; E49-R51 HydrophobicContact CG-CG 4.06Å; E49-R51 WeakPolarHBondContact OE1-CD 3.45Å; E49-R51 WeakPolarHBondContact OE1-CG 3.42Å; E49-S65 VanDerWaalsContact CD-OG 3.29Å; E49-S65 WeakPolarHBondContact CG-OG 3.46Å; E49-S65 PolarHBondContact OE1-OG 3.28Å; E49-R67 VanDerWaalsContact N-NH1 3.14Å
50	V	98.9	Very high	95.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.6	171.9	-176.3	0	0	0	0	106.9	I30 E31 V32 S65 V66 R68 F73 L144	I30-V50 HydrophobicContact CG2-CG1 3.68Å; E31-V50 WeakPolarHBondContact O-CA 3.33Å; V32-V50 HydrophobicContact CG2-CG2 4.38Å; V50-S65 WeakPolarHBondContact O-CA 3.39Å; V50-V66 HydrophobicContact CB-CG2 3.97Å; V50-V66 PolarHBondContact N-O 2.63Å; V50-V66 PolarHBondContact O-N 3.37Å; V50-R68 HydrophobicContact CG2-CB 3.91Å; V50-R68 HydrophobicContact CG2-CG 3.84Å; V50-F73 HydrophobicContact CG2-CE2 4.44Å; V50-F73 HydrophobicContact CG2-CZ 3.83Å; V50-L144 HydrophobicContact CG1-CD2 3.92Å
51	R	98.8	Very high	95.4	Very high	91 Å²	91	62.2 Å²	62.2	34%	0.343	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.1	178.4	-78.9	170.4	30.5	142.9	-2.3	109.3	I30 E31 E49 S64	I30-R51 CarbonylContact C-O 3.56Å; I30-R51 VanDerWaalsContact CA-O 3.26Å; I30-R51 WeakPolarHBondContact CA-O 3.44Å; E31-R51 HydrophobicContact CB-CB 4.32Å; E31-R51 PolarHBondContact N-O 3.25Å; E31-R51 PolarHBondContact O-N 3.32Å; E31-R51 IonicContact OE2-CZ 2.9Å; E31-R51 VanDerWaalsContact OE2-CZ 3.23Å; E31-R51 IonicContact OE2-NE 2.71Å; E31-R51 PolarHBondContact OE2-NE 2.76Å; E31-R51 IonicContact OE2-NH2 3.2Å; E31-R51 PolarHBondContact OE2-NH2 3.27Å; E49-R51 HydrophobicContact CG-CG 4.06Å; E49-R51 WeakPolarHBondContact OE1-CD 3.45Å; E49-R51 WeakPolarHBondContact OE1-CG 3.42Å; R51-S64 CarbonylContact C-O 3.52Å; R51-S64 WeakPolarHBondContact CA-O 3.35Å
52	M	98.5	Very high	95.7	Very high	2 Å²	2	64 Å²	64	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138	177.9	-174	-150.2	71	0	0	109.6	L28 E29 I30 T54 F59 L61 E63 S64 L144 Q145	L28-M52 HydrophobicContact CD1-CG 3.58Å; L28-M52 HydrophobicContact CD1-SD 3.86Å; E29-M52 CarbonylContact O-C 3.6Å; E29-M52 WeakPolarHBondContact O-CA 3.28Å; I30-M52 HydrophobicContact CD1-CG 4.5Å; I30-M52 HydrophobicContact CG1-CB 4.29Å; I30-M52 HydrophobicContact CG1-CG 3.94Å; M52-T54 HydrophobicContact CE-CG2 3.57Å; M52-T54 HydrophobicContact SD-CG2 4.21Å; M52-F59 HydrophobicContact SD-CD1 3.99Å; M52-F59 HydrophobicContact SD-CE1 4.23Å; M52-F59 HydrophobicContact SD-CG 4.24Å; M52-L61 WeakPolarHBondContact CE-O 3.3Å; M52-E63 CarbonylContact O-C 3.58Å; M52-E63 VanDerWaalsContact O-CA 3.26Å; M52-E63 WeakPolarHBondContact O-CA 3.5Å; M52-S64 PolarHBondContact N-O 3.16Å; M52-S64 PolarHBondContact O-N 2.93Å; M52-L144 HydrophobicContact SD-CB 4.19Å; M52-L144 HydrophobicContact SD-CD1 4.09Å; M52-Q145 VanDerWaalsContact CE-NE2 3.27Å
53	K	97.7	Very high	96.3	Very high	78 Å²	78	59.4 Å²	59.4	34%	0.339	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.7	166.5	-60.8	-167.2	174.3	-142.5	0	109.9	F27 L28 E29 K62 E63	F27-K53 HydrophobicContact CE2-CB 4.04Å; L28-K53 WeakPolarHBondContact CA-O 3.41Å; E29-K53 PolarHBondContact N-O 2.78Å; E29-K53 PolarHBondContact O-N 3.43Å; K53-K62 CarbonylContact C-O 3.56Å; K53-K62 WeakPolarHBondContact CA-O 3.49Å; K53-E63 HydrophobicContact CD-CG 4.47Å; K53-E63 WeakPolarHBondContact CE-OE1 3.28Å; K53-E63 HydrophobicContact CG-CG 4.09Å; K53-E63 IonicContact NZ-OE1 3.62Å; K53-E63 PolarHBondContact NZ-OE1 3.06Å; K53-E63 IonicContact NZ-OE2 3.49Å
54	T	96.1	Very high	96.6	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	150.5	-179.2	-170.9	0	0	0	0	112.1	F27 L28 M52 L56 F59 K62	F27-T54 VanDerWaalsContact O-CA 3.28Å; F27-T54 WeakPolarHBondContact O-CA 3.39Å; F27-T54 WeakPolarHBondContact O-CB 3.26Å; F27-T54 PolarHBondContact O-OG1 3.16Å; L28-T54 HydrophobicContact CD1-CG2 4.34Å; M52-T54 HydrophobicContact CE-CG2 3.57Å; M52-T54 HydrophobicContact SD-CG2 4.21Å; T54-L56 WeakPolarHBondContact OG1-CB 3.33Å; T54-L56 WeakPolarHBondContact OG1-CG 3.23Å; T54-L56 PolarHBondContact OG1-N 3.11Å; T54-F59 HydrophobicContact CG2-CB 3.69Å; T54-F59 HydrophobicContact CG2-CD2 3.87Å; T54-F59 HydrophobicContact CG2-CG 4Å; T54-K62 PolarHBondContact N-O 2.85Å; T54-K62 WeakPolarHBondContact O-CD 3.19Å
55	N	93.4	Very high	96.8	Very high	48 Å²	48	51.9 Å²	51.9	26%	0.257	25%	0.251	S	S	.	.			trans	-99.2	-7.3	164.2	65.9	-3.5	0	0	0	112.8	P24 N26 F27 K62	P24-N55 PolarHBondContact O-ND2 3.45Å; P24-N55 VanDerWaalsContact O-ND2 3.16Å; N26-N55 VanDerWaalsContact CA-OD1 3.26Å; N26-N55 WeakPolarHBondContact CA-OD1 3.46Å; F27-N55 HydrophobicContact CD1-CB 4Å; F27-N55 VanDerWaalsContact CD1-CG 3.48Å; F27-N55 HydrophobicContact CE1-CB 3.67Å; F27-N55 HydrophobicContact CZ-CB 4.38Å; F27-N55 PolarHBondContact N-OD1 3.07Å; F27-N55 PolarHBondContact O-N 3.26Å; F27-N55 PolarHBondContact O-OD1 3.3Å; N55-K62 PolarHBondContact O-NZ 2.78Å
56	L	93.9	Very high	96.9	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.126	23%	0.231	C	C	.	.			trans	-58.1	133.5	-177.1	-66.5	172.9	0	0	0	110.9	N26 L28 T54 I58 F59 K62	N26-L56 HydrophobicContact CB-CD2 3.7Å; L28-L56 HydrophobicContact CB-CD1 3.9Å; L28-L56 HydrophobicContact CD2-CD1 4.31Å; T54-L56 WeakPolarHBondContact OG1-CB 3.33Å; T54-L56 WeakPolarHBondContact OG1-CG 3.23Å; T54-L56 PolarHBondContact OG1-N 3.11Å; L56-I58 VanDerWaalsContact C-N 3.28Å; L56-I58 HydrophobicContact CB-CG2 4.21Å; L56-I58 PolarHBondContact O-N 2.82Å; L56-F59 HydrophobicContact CB-CD2 4.02Å; L56-F59 HydrophobicContact CD1-CD2 4.22Å; L56-F59 HydrophobicContact CD1-CE2 4Å; L56-K62 PolarHBondContact O-NZ 3.34Å
57	P	92.6	Very high	97	Very high	94 Å²	94	49.4 Å²	49.4	61%	0.61	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.2	-176.9	26.5	-33.9	0	0	0	112.8	F59 P161	P57-F59 PolarHBondContact O-N 3Å; P57-P161 WeakPolarHBondContact O-CG 3.16Å
58	I	94.4	Very high	97	Very high	32 Å²	32	49 Å²	49	16%	0.164	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.5	-178.3	-164.5	161.4	0	0	0	113	L56 Q135 N136 H141	L56-I58 VanDerWaalsContact C-N 3.28Å; L56-I58 HydrophobicContact CB-CG2 4.21Å; L56-I58 PolarHBondContact O-N 2.82Å; I58-Q135 HydrophobicContact CD1-CB 4.09Å; I58-Q135 WeakPolarHBondContact CD1-O 3.29Å; I58-Q135 HydrophobicContact CG2-CB 4.39Å; I58-N136 VanDerWaalsContact CD1-OD1 3.27Å; I58-N136 WeakPolarHBondContact CD1-OD1 3.4Å; I58-H141 PolarHBondContact O-CE1 2.79Å
59	F	95.3	Very high	96.9	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	26%	0.256	C	S	.	.	S	Bend	trans	-89.7	124.2	177.4	-71.5	-71	0	0	0	110.4	L28 M52 T54 L56 P57 Q135 M140 H141 L144	L28-F59 HydrophobicContact CD1-CD2 4.45Å; L28-F59 HydrophobicContact CD1-CE2 4.03Å; L28-F59 HydrophobicContact CD1-CZ 4.41Å; L28-F59 HydrophobicContact CD2-CE2 3.81Å; L28-F59 HydrophobicContact CD2-CZ 4.07Å; M52-F59 HydrophobicContact SD-CD1 3.99Å; M52-F59 HydrophobicContact SD-CE1 4.23Å; M52-F59 HydrophobicContact SD-CG 4.24Å; T54-F59 HydrophobicContact CG2-CB 3.69Å; T54-F59 HydrophobicContact CG2-CD2 3.87Å; T54-F59 HydrophobicContact CG2-CG 4Å; L56-F59 HydrophobicContact CB-CD2 4.02Å; L56-F59 HydrophobicContact CD1-CD2 4.22Å; L56-F59 HydrophobicContact CD1-CE2 4Å; P57-F59 PolarHBondContact O-N 3Å; F59-Q135 HydrophobicContact CE2-CG 4.26Å; F59-Q135 HydrophobicContact CZ-CG 4.19Å; F59-M140 HydrophobicContact CE1-CG 4.43Å; F59-H141 AromaticContact CD1-CE1 3.42Å; F59-H141 VanDerWaalsContact CD1-CE1 3.42Å; F59-H141 WeakPolarHBondContact CD1-CE1 3.36Å; F59-H141 AromaticContact CD1-ND1 3.56Å; F59-H141 AromaticContact CE1-CE1 3.64Å; F59-H141 AromaticContact CE1-ND1 3.95Å; F59-L144 HydrophobicContact CE1-CD1 3.96Å; F59-L144 HydrophobicContact CZ-CD1 4.27Å
60	K	94.8	Very high	96.9	Very high	177 Å²	177	53.8 Å²	53.8	77%	0.77	25%	0.253	S	S	*	.	S	Bend	trans	-63.9	-47.4	-179	-179.3	-178.5	177.6	-178.4	0	111.7
61	L	96.9	Very high	96.8	Very high	72 Å²	72	55.5 Å²	55.5	38%	0.377	27%	0.265	S	S	.	.			trans	-89.5	136	175.2	-55	-179.6	0	0	0	110.4	M52 Q145	M52-L61 WeakPolarHBondContact CE-O 3.3Å; L61-Q145 HydrophobicContact CD1-CB 4.16Å; L61-Q145 VanDerWaalsContact N-OE1 3.12Å; L61-Q145 PolarHBondContact O-NE2 3.2Å
62	K	95.8	Very high	96.8	Very high	101 Å²	101	52 Å²	52	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	-80.9	-29.4	173.6	-59.7	-51.6	-177.5	-169.9	0	112.6	K53 T54 N55 L56	K53-K62 CarbonylContact C-O 3.56Å; K53-K62 WeakPolarHBondContact CA-O 3.49Å; T54-K62 PolarHBondContact N-O 2.85Å; T54-K62 WeakPolarHBondContact O-CD 3.19Å; N55-K62 PolarHBondContact O-NZ 2.78Å; L56-K62 PolarHBondContact O-NZ 3.34Å
63	E	98.3	Very high	96.8	Very high	123 Å²	123	52 Å²	52	58%	0.575	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.1	168.8	-55.6	-165.2	160.5	0	0	109	M52 K53	M52-E63 CarbonylContact O-C 3.58Å; M52-E63 VanDerWaalsContact O-CA 3.26Å; M52-E63 WeakPolarHBondContact O-CA 3.5Å; K53-E63 HydrophobicContact CD-CG 4.47Å; K53-E63 WeakPolarHBondContact CE-OE1 3.28Å; K53-E63 HydrophobicContact CG-CG 4.09Å; K53-E63 IonicContact NZ-OE1 3.62Å; K53-E63 PolarHBondContact NZ-OE1 3.06Å; K53-E63 IonicContact NZ-OE2 3.49Å
64	S	98.5	Very high	96.8	Very high	14 Å²	14	49.8 Å²	49.8	10%	0.098	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.4	171.7	60.4	0	0	0	0	110.8	R51 M52 L144	R51-S64 CarbonylContact C-O 3.52Å; R51-S64 WeakPolarHBondContact CA-O 3.35Å; M52-S64 PolarHBondContact N-O 3.16Å; M52-S64 PolarHBondContact O-N 2.93Å; S64-L144 WeakPolarHBondContact CB-O 3.28Å; S64-L144 PolarHBondContact OG-O 3.21Å
65	S	98.6	Very high	96.8	Very high	48 Å²	48	50.7 Å²	50.7	34%	0.336	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.3	171.1	175.2	0	0	0	0	108.7	E49 V50 Q147	E49-S65 VanDerWaalsContact CD-OG 3.29Å; E49-S65 WeakPolarHBondContact CG-OG 3.46Å; E49-S65 PolarHBondContact OE1-OG 3.28Å; V50-S65 WeakPolarHBondContact O-CA 3.39Å; S65-Q147 PolarHBondContact O-NE2 3.28Å
66	V	98.8	Very high	97	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.6	-176.7	-60.9	0	0	0	0	110.5	V50 R68 F143 E146	V50-V66 HydrophobicContact CB-CG2 3.97Å; V50-V66 PolarHBondContact N-O 2.63Å; V50-V66 PolarHBondContact O-N 3.37Å; V66-R68 HydrophobicContact CG2-CG 4.25Å; V66-F143 WeakPolarHBondContact CG2-O 3.41Å; V66-E146 WeakPolarHBondContact CG1-O 3.25Å
67	R	98.7	Very high	97.2	Very high	72 Å²	72	50 Å²	50	27%	0.272	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.8	176.4	-63.9	-60.9	-65.2	-176.3	2.6	111.1	N34 V36 D47 Y48 E49	N34-R67 PolarHBondContact O-NH1 2.87Å; N34-R67 PolarHBondContact O-NH2 2.9Å; V36-R67 VanDerWaalsContact CB-NH2 3.29Å; D47-R67 VanDerWaalsContact CG-NH2 3.29Å; D47-R67 PolarHBondContact O-NH2 2.75Å; D47-R67 VanDerWaalsContact O-NH2 3.1Å; D47-R67 IonicContact OD1-CZ 2.73Å; D47-R67 IonicContact OD1-NE 3.53Å; D47-R67 PolarHBondContact OD1-NE 3.3Å; D47-R67 IonicContact OD1-NH2 3.79Å; D47-R67 PolarHBondContact OD1-NH2 2.86Å; D47-R67 WeakPolarHBondContact OD2-CB 3.07Å; D47-R67 IonicContact OD2-CZ 3.04Å; D47-R67 IonicContact OD2-NE 3.38Å; D47-R67 PolarHBondContact OD2-NE 3.39Å; D47-R67 IonicContact OD2-NH2 2.87Å; Y48-R67 WeakPolarHBondContact O-CA 3.06Å; E49-R67 VanDerWaalsContact N-NH1 3.14Å
68	R	98.8	Very high	97.3	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132	-180	-61.9	-65.3	177.1	-107	6.4	111.9	D47 Y48 V50 V66 D72 F73 M142 F143 E146 Q147	D47-R68 CarbonylContact C-O 3.53Å; D47-R68 WeakPolarHBondContact CA-O 3.44Å; Y48-R68 WeakPolarHBondContact CD2-O 3.27Å; Y48-R68 PolarHBondContact N-O 3.23Å; Y48-R68 PolarHBondContact O-N 3.08Å; V50-R68 HydrophobicContact CG2-CB 3.91Å; V50-R68 HydrophobicContact CG2-CG 3.84Å; V66-R68 HydrophobicContact CG2-CG 4.25Å; R68-D72 WeakPolarHBondContact CA-OD2 3.31Å; R68-D72 HydrophobicContact CB-CB 4.28Å; R68-F73 HydrophobicContact CB-CD2 4.25Å; R68-F73 HydrophobicContact CB-CE2 3.64Å; R68-F73 HydrophobicContact CB-CZ 4.31Å; R68-M142 PolarHBondContact NH2-O 2.69Å; R68-F143 HydrophobicContact CB-CE2 4.23Å; R68-F143 HydrophobicContact CB-CZ 4.1Å; R68-F143 HydrophobicContact CG-CD2 4.41Å; R68-F143 HydrophobicContact CG-CE1 4.31Å; R68-F143 HydrophobicContact CG-CE2 3.78Å; R68-F143 HydrophobicContact CG-CZ 3.72Å; R68-F143 VanDerWaalsContact CZ-O 3.23Å; R68-F143 PolarHBondContact NE-O 3.23Å; R68-F143 PolarHBondContact NH2-O 3.23Å; R68-E146 PolarHBondContact NH2-O 3.05Å; R68-Q147 PolarHBondContact NH1-O 3.28Å
69	R	97.8	Very high	97.3	Very high	111 Å²	111	49.1 Å²	49.1	42%	0.419	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	163.7	168.6	58.7	175.5	-174	166.3	9.9	110.6	D47 S71 D72 F73	D47-R69 HydrophobicContact CB-CB 4.26Å; R69-S71 VanDerWaalsContact CD-OG 3.29Å; R69-S71 WeakPolarHBondContact CD-OG 3.18Å; R69-S71 VanDerWaalsContact CZ-OG 3.22Å; R69-S71 PolarHBondContact NE-OG 2.84Å; R69-S71 PolarHBondContact O-N 3.05Å; R69-S71 VanDerWaalsContact O-N 3.12Å; R69-D72 VanDerWaalsContact CG-OD2 3.24Å; R69-D72 WeakPolarHBondContact CG-OD2 3.46Å; R69-D72 PolarHBondContact N-OD2 3.24Å; R69-D72 IonicContact NE-OD1 2.87Å; R69-D72 WeakPolarHBondContact O-CB 3.22Å; R69-D72 PolarHBondContact O-N 2.8Å; R69-F73 WeakPolarHBondContact O-CD2 3.37Å; R69-F73 PolarHBondContact O-N 3.48Å
70	Y	97.9	Very high	97.3	Very high	28 Å²	28	49 Å²	49	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-50.2	-40.9	179.5	178.2	-92.4	0	0	0	113.5	D72 F73 E74 L91 P92 K94 R117 L121	Y70-D72 VanDerWaalsContact C-N 3.26Å; Y70-D72 PolarHBondContact O-N 2.84Å; Y70-F73 WeakPolarHBondContact O-CB 3.46Å; Y70-F73 PolarHBondContact O-N 3.29Å; Y70-F73 VanDerWaalsContact O-N 3.09Å; Y70-E74 HydrophobicContact CD1-CG 3.91Å; Y70-E74 HydrophobicContact CE1-CG 3.4Å; Y70-E74 VanDerWaalsContact CE1-CG 3.4Å; Y70-E74 VanDerWaalsContact CE1-OE2 3.28Å; Y70-E74 WeakPolarHBondContact CE1-OE2 3.23Å; Y70-E74 PolarHBondContact O-N 3.38Å; Y70-L91 HydrophobicContact CE2-CB 4.38Å; Y70-P92 HydrophobicContact CE2-CG 4.2Å; Y70-P92 WeakPolarHBondContact CE2-O 3.38Å; Y70-P92 PolarHBondContact OH-O 3.05Å; Y70-K94 HydrophobicContact CE1-CG 3.96Å; Y70-R117 HydrophobicContact CD2-CG 4.46Å; Y70-L121 HydrophobicContact CD2-CD2 4.04Å; Y70-L121 HydrophobicContact CE2-CD2 4.39Å
71	S	97.3	Very high	97.3	Very high	37 Å²	37	45 Å²	45	26%	0.259	21%	0.212	S	C	.	.	H	α-helix	trans	-72.7	-13.6	179.4	53.1	0	0	0	0	114.5	R69 W75	R69-S71 VanDerWaalsContact CD-OG 3.29Å; R69-S71 WeakPolarHBondContact CD-OG 3.18Å; R69-S71 VanDerWaalsContact CZ-OG 3.22Å; R69-S71 PolarHBondContact NE-OG 2.84Å; R69-S71 PolarHBondContact O-N 3.05Å; R69-S71 VanDerWaalsContact O-N 3.12Å; S71-W75 PolarHBondContact O-N 3.06Å
72	D	98.5	Very high	96.9	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-74	-38.5	167.3	-53.7	-30.6	0	0	0	110.2	R68 R69 Y70 W75 L76 F143 R151	R68-D72 WeakPolarHBondContact CA-OD2 3.31Å; R68-D72 HydrophobicContact CB-CB 4.28Å; R69-D72 VanDerWaalsContact CG-OD2 3.24Å; R69-D72 WeakPolarHBondContact CG-OD2 3.46Å; R69-D72 PolarHBondContact N-OD2 3.24Å; R69-D72 IonicContact NE-OD1 2.87Å; R69-D72 WeakPolarHBondContact O-CB 3.22Å; R69-D72 PolarHBondContact O-N 2.8Å; Y70-D72 VanDerWaalsContact C-N 3.26Å; Y70-D72 PolarHBondContact O-N 2.84Å; D72-W75 WeakPolarHBondContact O-CB 3.45Å; D72-W75 PolarHBondContact O-N 3.3Å; D72-L76 PolarHBondContact O-N 2.82Å; D72-F143 HydrophobicContact CB-CE2 4.02Å; D72-R151 IonicContact OD1-CZ 3.66Å; D72-R151 IonicContact OD1-NH2 3.33Å; D72-R151 PolarHBondContact OD1-NH2 3.01Å
73	F	98.6	Very high	96.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-39.6	173.1	-69.4	-100.3	0	0	0	111.9	V32 V50 R68 R69 Y70 W75 L76 R77 L91 L121 F124 I125 F143	V32-F73 HydrophobicContact CG2-CZ 4.4Å; V50-F73 HydrophobicContact CG2-CE2 4.44Å; V50-F73 HydrophobicContact CG2-CZ 3.83Å; R68-F73 HydrophobicContact CB-CD2 4.25Å; R68-F73 HydrophobicContact CB-CE2 3.64Å; R68-F73 HydrophobicContact CB-CZ 4.31Å; R69-F73 WeakPolarHBondContact O-CD2 3.37Å; R69-F73 PolarHBondContact O-N 3.48Å; Y70-F73 WeakPolarHBondContact O-CB 3.46Å; Y70-F73 PolarHBondContact O-N 3.29Å; Y70-F73 VanDerWaalsContact O-N 3.09Å; F73-W75 VanDerWaalsContact C-N 3.27Å; F73-W75 PolarHBondContact O-N 3.2Å; F73-L76 PolarHBondContact O-N 2.9Å; F73-R77 PolarHBondContact O-N 2.77Å; F73-L91 HydrophobicContact CB-CD1 4.43Å; F73-L91 HydrophobicContact CB-CD2 3.79Å; F73-L121 HydrophobicContact CB-CD2 3.98Å; F73-L121 HydrophobicContact CD1-CB 4.44Å; F73-L121 HydrophobicContact CD1-CD2 3.79Å; F73-L121 HydrophobicContact CD2-CD1 4.14Å; F73-L121 HydrophobicContact CD2-CD2 3.88Å; F73-L121 HydrophobicContact CE1-CB 3.97Å; F73-L121 HydrophobicContact CE1-CD2 4.15Å; F73-L121 HydrophobicContact CE2-CD1 3.88Å; F73-L121 HydrophobicContact CE2-CD2 4.26Å; F73-L121 HydrophobicContact CE2-CG 4.45Å; F73-L121 HydrophobicContact CG-CD2 3.63Å; F73-L121 HydrophobicContact CZ-CB 4.03Å; F73-L121 HydrophobicContact CZ-CD1 4.2Å; F73-L121 HydrophobicContact CZ-CD2 4.38Å; F73-L121 HydrophobicContact CZ-CG 4.43Å; F73-F124 AromaticContact CD1-CD1 3.89Å; F73-F124 HydrophobicContact CD1-CD1 3.89Å; F73-F124 HydrophobicContact CD1-CE1 4.09Å; F73-I125 HydrophobicContact CE1-CB 4.19Å; F73-F143 HydrophobicContact CD1-CE1 4.33Å; F73-F143 HydrophobicContact CD1-CE2 4.39Å; F73-F143 AromaticContact CD1-CZ 3.6Å; F73-F143 HydrophobicContact CD1-CZ 3.6Å; F73-F143 HydrophobicContact CD2-CE2 4.35Å; F73-F143 AromaticContact CD2-CZ 3.98Å; F73-F143 HydrophobicContact CD2-CZ 3.98Å; F73-F143 HydrophobicContact CE1-CE1 4.07Å; F73-F143 AromaticContact CE1-CZ 3.57Å; F73-F143 HydrophobicContact CE1-CZ 3.57Å; F73-F143 AromaticContact CE2-CZ 3.94Å; F73-F143 HydrophobicContact CE2-CZ 3.94Å; F73-F143 HydrophobicContact CG-CE2 4.22Å; F73-F143 AromaticContact CG-CZ 3.81Å; F73-F143 HydrophobicContact CG-CZ 3.81Å; F73-F143 HydrophobicContact CZ-CE1 4.39Å; F73-F143 AromaticContact CZ-CZ 3.74Å; F73-F143 HydrophobicContact CZ-CZ 3.74Å
74	E	97.4	Very high	95	Very high	33 Å²	33	41.2 Å²	41.2	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-41.5	172.7	-69	-163.8	89.2	0	0	112.2	Y70 R77 N78 L91 K94	Y70-E74 HydrophobicContact CD1-CG 3.91Å; Y70-E74 HydrophobicContact CE1-CG 3.4Å; Y70-E74 VanDerWaalsContact CE1-CG 3.4Å; Y70-E74 VanDerWaalsContact CE1-OE2 3.28Å; Y70-E74 WeakPolarHBondContact CE1-OE2 3.23Å; Y70-E74 PolarHBondContact O-N 3.38Å; E74-R77 WeakPolarHBondContact O-CB 3.39Å; E74-R77 PolarHBondContact O-N 2.64Å; E74-N78 PolarHBondContact O-N 3.35Å; E74-N78 PolarHBondContact O-ND2 2.96Å; E74-N78 PolarHBondContact O-OD1 3.39Å; E74-L91 HydrophobicContact CB-CD1 4.32Å; E74-L91 HydrophobicContact CG-CD1 3.88Å; E74-K94 VanDerWaalsContact CD-CE 3.46Å; E74-K94 WeakPolarHBondContact OE1-CE 3.18Å; E74-K94 IonicContact OE1-NZ 3.69Å; E74-K94 PolarHBondContact OE1-NZ 3.17Å; E74-K94 IonicContact OE2-NZ 3.2Å
75	W	97.2	Very high	94.3	Very high	22 Å²	22	50 Å²	50	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-47.3	176.2	164.9	84.2	0	0	0	112	S71 D72 F73 R77 N78 E79 C139 M142 F143 V149 Y153	S71-W75 PolarHBondContact O-N 3.06Å; D72-W75 WeakPolarHBondContact O-CB 3.45Å; D72-W75 PolarHBondContact O-N 3.3Å; F73-W75 VanDerWaalsContact C-N 3.27Å; F73-W75 PolarHBondContact O-N 3.2Å; W75-R77 VanDerWaalsContact C-N 3.25Å; W75-R77 PolarHBondContact O-N 3.38Å; W75-N78 PolarHBondContact O-N 2.83Å; W75-N78 VanDerWaalsContact O-N 3.1Å; W75-E79 HydrophobicContact CD2-CG 4.14Å; W75-E79 HydrophobicContact CG-CG 4.42Å; W75-E79 HydrophobicContact CZ2-CG 3.94Å; W75-E79 WeakPolarHBondContact O-CG 3.49Å; W75-E79 PolarHBondContact O-N 3.38Å; W75-C139 HydrophobicContact CH2-CB 3.8Å; W75-C139 HydrophobicContact CZ2-CB 4.28Å; W75-C139 HydrophobicContact CZ3-CB 4.39Å; W75-M142 HydrophobicContact CH2-CG 4.49Å; W75-M142 HydrophobicContact CH2-SD 3.94Å; W75-M142 HydrophobicContact CZ2-SD 4.28Å; W75-F143 HydrophobicContact CZ3-CB 4.3Å; W75-F143 HydrophobicContact CZ3-CD2 4.36Å; W75-V149 HydrophobicContact CD2-CG1 3.86Å; W75-V149 HydrophobicContact CE3-CG1 3.6Å; W75-V149 HydrophobicContact CH2-CG1 3.36Å; W75-V149 HydrophobicContact CZ2-CG1 3.59Å; W75-V149 HydrophobicContact CZ3-CG1 3.37Å; W75-V149 HydrophobicContact CZ3-CG2 4.43Å; W75-Y153 AromaticContact CZ2-CD1 3.92Å; W75-Y153 HydrophobicContact CZ2-CD1 3.92Å; W75-Y153 AromaticContact CZ2-CE1 3.56Å; W75-Y153 HydrophobicContact CZ2-CE1 3.56Å
76	L	97.6	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-44	176.3	178.9	64.8	0	0	0	111	D72 F73 N78 E79 L80 F124 I125 C139 M140 F143	D72-L76 PolarHBondContact O-N 2.82Å; F73-L76 PolarHBondContact O-N 2.9Å; L76-N78 VanDerWaalsContact C-N 3.35Å; L76-N78 PolarHBondContact O-N 3.39Å; L76-E79 PolarHBondContact O-N 2.78Å; L76-L80 HydrophobicContact CD1-CD1 3.96Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.01Å; L76-F124 HydrophobicContact CD2-CE1 4.43Å; L76-I125 HydrophobicContact CD2-CD1 3.59Å; L76-C139 HydrophobicContact CD1-CB 4.28Å; L76-M140 HydrophobicContact CD1-CE 4.43Å; L76-M140 HydrophobicContact CD2-CE 4.23Å; L76-F143 HydrophobicContact CB-CD2 4.03Å; L76-F143 HydrophobicContact CB-CE2 4.38Å; L76-F143 HydrophobicContact CB-CG 4.41Å; L76-F143 HydrophobicContact CD1-CB 4.11Å; L76-F143 HydrophobicContact CD1-CG 4.44Å; L76-F143 HydrophobicContact CD2-CB 4.19Å; L76-F143 HydrophobicContact CD2-CD1 3.72Å; L76-F143 HydrophobicContact CD2-CD2 4.05Å; L76-F143 HydrophobicContact CD2-CE1 4.08Å; L76-F143 HydrophobicContact CD2-CE2 4.37Å; L76-F143 HydrophobicContact CD2-CG 3.7Å; L76-F143 HydrophobicContact CD2-CZ 4.39Å; L76-F143 HydrophobicContact CG-CG 4.41Å
77	R	96.7	Very high	93.3	Very high	59 Å²	59	54.7 Å²	54.7	22%	0.223	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-50.7	176.1	-161.1	-161	92.8	-112.7	-13.6	111	F73 E74 W75 L80 E81 V88 L91 F124	F73-R77 PolarHBondContact O-N 2.77Å; E74-R77 WeakPolarHBondContact O-CB 3.39Å; E74-R77 PolarHBondContact O-N 2.64Å; W75-R77 VanDerWaalsContact C-N 3.25Å; W75-R77 PolarHBondContact O-N 3.38Å; R77-L80 PolarHBondContact O-N 3.48Å; R77-E81 IonicContact CZ-OE1 2.76Å; R77-E81 IonicContact CZ-OE2 3.8Å; R77-E81 IonicContact NE-OE1 3.43Å; R77-E81 PolarHBondContact NE-OE1 2.81Å; R77-E81 IonicContact NE-OE2 3.29Å; R77-E81 PolarHBondContact NE-OE2 2.89Å; R77-E81 IonicContact NH2-OE1 2.81Å; R77-E81 IonicContact NH2-OE2 3.5Å; R77-E81 PolarHBondContact NH2-OE2 2.99Å; R77-E81 WeakPolarHBondContact O-CB 3.13Å; R77-E81 WeakPolarHBondContact O-CG 3.42Å; R77-E81 PolarHBondContact O-N 3.27Å; R77-V88 HydrophobicContact CB-CG1 4.34Å; R77-V88 HydrophobicContact CG-CB 4.15Å; R77-V88 HydrophobicContact CG-CG1 3.46Å; R77-V88 VanDerWaalsContact CG-CG1 3.46Å; R77-L91 HydrophobicContact CB-CD1 4.09Å; R77-L91 HydrophobicContact CG-CD1 4.45Å; R77-F124 HydrophobicContact CB-CE2 4.37Å; R77-F124 HydrophobicContact CB-CZ 4.02Å; R77-F124 HydrophobicContact CG-CE2 4.06Å; R77-F124 HydrophobicContact CG-CZ 4.2Å
78	N	95.4	Very high	93.1	Very high	74 Å²	74	52.1 Å²	52.1	40%	0.396	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-40.5	-178.2	-64	-20.9	0	0	0	112.3	E74 W75 L76 L80 E81 R82	E74-N78 PolarHBondContact O-N 3.35Å; E74-N78 PolarHBondContact O-ND2 2.96Å; E74-N78 PolarHBondContact O-OD1 3.39Å; W75-N78 PolarHBondContact O-N 2.83Å; W75-N78 VanDerWaalsContact O-N 3.1Å; L76-N78 VanDerWaalsContact C-N 3.35Å; L76-N78 PolarHBondContact O-N 3.39Å; N78-L80 VanDerWaalsContact C-N 3.35Å; N78-L80 PolarHBondContact O-N 3.36Å; N78-E81 PolarHBondContact O-N 3.28Å; N78-R82 WeakPolarHBondContact O-CB 3.33Å; N78-R82 PolarHBondContact O-N 3.44Å; N78-R82 VanDerWaalsContact O-N 3.08Å
79	E	95.3	Very high	92.9	Very high	32 Å²	32	53 Å²	53	15%	0.15	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-42.5	177.4	-69.9	-55.3	122.4	0	0	111.5	W75 L76 R82 D83 C139 Y153	W75-E79 HydrophobicContact CD2-CG 4.14Å; W75-E79 HydrophobicContact CG-CG 4.42Å; W75-E79 HydrophobicContact CZ2-CG 3.94Å; W75-E79 WeakPolarHBondContact O-CG 3.49Å; W75-E79 PolarHBondContact O-N 3.38Å; L76-E79 PolarHBondContact O-N 2.78Å; E79-R82 PolarHBondContact O-N 3.03Å; E79-R82 IonicContact OE2-NH1 3.74Å; E79-R82 PolarHBondContact OE2-NH1 3.36Å; E79-D83 PolarHBondContact O-N 2.98Å; E79-C139 HydrophobicContact CB-CB 3.96Å; E79-C139 HydrophobicContact CG-CB 4.25Å; E79-Y153 HydrophobicContact CG-CE1 4.3Å; E79-Y153 WeakPolarHBondContact OE2-CE1 3.44Å; E79-Y153 PolarHBondContact OE2-OH 2.8Å
80	L	95.2	Very high	92.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-71	-40.2	178.9	-67.2	172.3	0	0	0	112.4	L76 R77 N78 R82 S84 V88 V128 A134 E137 M140	L76-L80 HydrophobicContact CD1-CD1 3.96Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.01Å; R77-L80 PolarHBondContact O-N 3.48Å; N78-L80 VanDerWaalsContact C-N 3.35Å; N78-L80 PolarHBondContact O-N 3.36Å; L80-R82 PolarHBondContact O-N 3.45Å; L80-S84 WeakPolarHBondContact O-CB 3.35Å; L80-S84 PolarHBondContact O-N 3.42Å; L80-S84 VanDerWaalsContact O-N 3.09Å; L80-S84 PolarHBondContact O-OG 3.02Å; L80-V88 HydrophobicContact CB-CG2 3.86Å; L80-V128 HydrophobicContact CD1-CG1 3.17Å; L80-A134 HydrophobicContact CD1-CB 4.4Å; L80-A134 HydrophobicContact CD2-CB 4.04Å; L80-E137 HydrophobicContact CD2-CB 4.02Å; L80-E137 HydrophobicContact CD2-CG 3.92Å; L80-M140 HydrophobicContact CD1-CE 4.07Å
81	E	93.2	Very high	92.7	Very high	93 Å²	93	53 Å²	53	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-34.3	174.7	-77.7	174	177.1	0	0	111.9	R77 N78 V88	R77-E81 IonicContact CZ-OE1 2.76Å; R77-E81 IonicContact CZ-OE2 3.8Å; R77-E81 IonicContact NE-OE1 3.43Å; R77-E81 PolarHBondContact NE-OE1 2.81Å; R77-E81 IonicContact NE-OE2 3.29Å; R77-E81 PolarHBondContact NE-OE2 2.89Å; R77-E81 IonicContact NH2-OE1 2.81Å; R77-E81 IonicContact NH2-OE2 3.5Å; R77-E81 PolarHBondContact NH2-OE2 2.99Å; R77-E81 WeakPolarHBondContact O-CB 3.13Å; R77-E81 WeakPolarHBondContact O-CG 3.42Å; R77-E81 PolarHBondContact O-N 3.27Å; N78-E81 PolarHBondContact O-N 3.28Å; E81-V88 HydrophobicContact CG-CB 4.1Å; E81-V88 HydrophobicContact CG-CG2 3.69Å
82	R	89	Confident	92.6	Very high	145 Å²	145	52.5 Å²	52.5	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-72.7	-49.2	-178.4	-174	178.1	138.3	-92.2	-29.6	113	N78 E79 L80	N78-R82 WeakPolarHBondContact O-CB 3.33Å; N78-R82 PolarHBondContact O-N 3.44Å; N78-R82 VanDerWaalsContact O-N 3.08Å; E79-R82 PolarHBondContact O-N 3.03Å; E79-R82 IonicContact OE2-NH1 3.74Å; E79-R82 PolarHBondContact OE2-NH1 3.36Å; L80-R82 PolarHBondContact O-N 3.45Å
83	D	78.5	Confident	92.2	Very high	64 Å²	64	54.2 Å²	54.2	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-111.9	-26	-163.5	-72.5	-21.3	0	0	0	114.6	E79 P155	E79-D83 PolarHBondContact O-N 2.98Å; D83-P155 WeakPolarHBondContact OD2-CB 3.43Å
84	S	76.3	Confident	91.9	Very high	7 Å²	7	59 Å²	59	5%	0.049	31%	0.307	C	S	.	.	S	Bend	trans	-98.5	-8.9	-161.6	73.8	0	0	0	0	115.9	L80 V86	L80-S84 WeakPolarHBondContact O-CB 3.35Å; L80-S84 PolarHBondContact O-N 3.42Å; L80-S84 VanDerWaalsContact O-N 3.09Å; L80-S84 PolarHBondContact O-OG 3.02Å; S84-V86 PolarHBondContact O-N 3.32Å; S84-V86 VanDerWaalsContact OG-CB 3.23Å; S84-V86 WeakPolarHBondContact OG-CB 3.31Å; S84-V86 WeakPolarHBondContact OG-CG2 3.47Å; S84-V86 PolarHBondContact OG-N 2.76Å
85	K	82.7	Confident	91.6	Very high	199 Å²	199	58.3 Å²	58.3	87%	0.865	31%	0.307	S	S	*	.			trans	53.1	14.2	-168.2	-56.2	-177	-179.2	-177.8	0	113.9
86	V	87.8	Confident	91.3	Very high	11 Å²	11	62.8 Å²	62.8	7%	0.067	33%	0.332	C	S	.	.			trans	-72.4	133.3	177.1	175.8	0	0	0	0	108.4	S84 V88 H131 L133 A134	S84-V86 PolarHBondContact O-N 3.32Å; S84-V86 VanDerWaalsContact OG-CB 3.23Å; S84-V86 WeakPolarHBondContact OG-CB 3.31Å; S84-V86 WeakPolarHBondContact OG-CG2 3.47Å; S84-V86 PolarHBondContact OG-N 2.76Å; V86-V88 HydrophobicContact CB-CG2 4.47Å; V86-V88 HydrophobicContact CG1-CG2 4.36Å; V86-V88 WeakPolarHBondContact O-CG2 3.43Å; V86-V88 PolarHBondContact O-N 2.81Å; V86-H131 HydrophobicContact CG1-CB 4.42Å; V86-L133 HydrophobicContact CG2-CB 3.69Å; V86-A134 HydrophobicContact CG2-CB 4.27Å
87	V	89.7	Confident	91.1	Very high	138 Å²	138	71 Å²	71	84%	0.836	37%	0.368	S	S	*	.			trans	-72.6	101.1	166.8	178.8	0	0	0	0	107.2
88	V	93.5	Very high	90.8	Very high	19 Å²	19	72 Å²	72	12%	0.115	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-80.6	124.3	-176.4	-165.9	0	0	0	0	109.2	R77 L80 E81 V86 F124 V128	R77-V88 HydrophobicContact CB-CG1 4.34Å; R77-V88 HydrophobicContact CG-CB 4.15Å; R77-V88 HydrophobicContact CG-CG1 3.46Å; R77-V88 VanDerWaalsContact CG-CG1 3.46Å; L80-V88 HydrophobicContact CB-CG2 3.86Å; E81-V88 HydrophobicContact CG-CB 4.1Å; E81-V88 HydrophobicContact CG-CG2 3.69Å; V86-V88 HydrophobicContact CB-CG2 4.47Å; V86-V88 HydrophobicContact CG1-CG2 4.36Å; V86-V88 WeakPolarHBondContact O-CG2 3.43Å; V86-V88 PolarHBondContact O-N 2.81Å; V88-F124 HydrophobicContact CG1-CE2 3.71Å; V88-F124 HydrophobicContact CG1-CZ 4.04Å; V88-V128 HydrophobicContact CG1-CG2 4.01Å
89	P	94.9	Very high	90.5	Very high	22 Å²	22	73.8 Å²	73.8	14%	0.143	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-61.8	155.2	176.1	27.3	-34.9	0	0	0	111	F124 K127 V128	P89-F124 HydrophobicContact CG-CD2 3.91Å; P89-F124 HydrophobicContact CG-CE2 4.29Å; P89-F124 WeakPolarHBondContact O-CD2 3.23Å; P89-F124 VanDerWaalsContact O-CE2 3.27Å; P89-F124 WeakPolarHBondContact O-CE2 3.12Å; P89-K127 HydrophobicContact CB-CD 4.14Å; P89-K127 HydrophobicContact CG-CB 3.9Å; P89-K127 HydrophobicContact CG-CD 4.37Å; P89-V128 HydrophobicContact CG-CG2 3.62Å
90	P	95.3	Very high	90.2	Very high	115 Å²	115	77.4 Å²	77.4	75%	0.747	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-65.3	141.9	178.4	28	-34.8	0	0	0	111.1
91	L	97	Very high	89.8	Confident	24 Å²	24	81.7 Å²	81.7	13%	0.126	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-74.9	154.3	166.5	-76.7	168.2	0	0	0	110.6	Y70 F73 E74 R77 G93 L121 F124	Y70-L91 HydrophobicContact CE2-CB 4.38Å; F73-L91 HydrophobicContact CB-CD1 4.43Å; F73-L91 HydrophobicContact CB-CD2 3.79Å; E74-L91 HydrophobicContact CB-CD1 4.32Å; E74-L91 HydrophobicContact CG-CD1 3.88Å; R77-L91 HydrophobicContact CB-CD1 4.09Å; R77-L91 HydrophobicContact CG-CD1 4.45Å; L91-G93 PolarHBondContact O-N 3.29Å; L91-L121 HydrophobicContact CD2-CD2 3.93Å; L91-F124 HydrophobicContact CD2-CB 4.16Å; L91-F124 HydrophobicContact CD2-CD1 3.56Å; L91-F124 HydrophobicContact CD2-CD2 3.49Å; L91-F124 VanDerWaalsContact CD2-CD2 3.49Å; L91-F124 HydrophobicContact CD2-CE1 3.73Å; L91-F124 HydrophobicContact CD2-CE2 3.64Å; L91-F124 HydrophobicContact CD2-CG 3.45Å; L91-F124 VanDerWaalsContact CD2-CG 3.45Å; L91-F124 HydrophobicContact CD2-CZ 3.77Å; L91-F124 HydrophobicContact CG-CD2 3.83Å; L91-F124 HydrophobicContact CG-CE2 3.72Å; L91-F124 HydrophobicContact CG-CG 4.31Å; L91-F124 HydrophobicContact CG-CZ 4.12Å
92	P	95.3	Very high	89.5	Confident	27 Å²	27	87.2 Å²	87.2	18%	0.175	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-56	138.5	166.5	24.1	-31.4	0	0	0	109.4	Y70 R117 L121	Y70-P92 HydrophobicContact CE2-CG 4.2Å; Y70-P92 WeakPolarHBondContact CE2-O 3.38Å; Y70-P92 PolarHBondContact OH-O 3.05Å; P92-R117 HydrophobicContact CG-CG 4.27Å; P92-L121 HydrophobicContact CG-CD2 3.77Å; P92-L121 HydrophobicContact CG-CG 3.91Å
93	G	90.4	Very high	89.6	Confident	55 Å²	55	84.8 Å²	84.8	57%	0.567	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-56.8	152.7	-170.8	0	0	0	0	0	114.2	L91 A95	L91-G93 PolarHBondContact O-N 3.29Å; G93-A95 PolarHBondContact O-N 3.41Å
94	K	91.7	Very high	90.2	Very high	100 Å²	100	88.3 Å²	88.3	44%	0.435	47%	0.468	S	S	.	.			trans	-57.1	-19	176	-71.2	-170.9	175.9	-166.8	0	114.2	Y70 E74 L96 R117	Y70-K94 HydrophobicContact CE1-CG 3.96Å; E74-K94 VanDerWaalsContact CD-CE 3.46Å; E74-K94 WeakPolarHBondContact OE1-CE 3.18Å; E74-K94 IonicContact OE1-NZ 3.69Å; E74-K94 PolarHBondContact OE1-NZ 3.17Å; E74-K94 IonicContact OE2-NZ 3.2Å; K94-L96 VanDerWaalsContact C-N 3.32Å; K94-L96 HydrophobicContact CB-CD2 4.03Å; K94-L96 HydrophobicContact CB-CG 4.09Å; K94-L96 HydrophobicContact CD-CD2 4.46Å; K94-L96 PolarHBondContact O-N 3.23Å; K94-R117 PolarHBondContact O-NH2 3.32Å; K94-R117 VanDerWaalsContact O-NH2 3.15Å
95	A	91.7	Very high	90.9	Very high	19 Å²	19	90.7 Å²	90.7	16%	0.157	48%	0.481	C	S	.	.			trans	53.7	46.8	-175.8	0	0	0	0	0	112.5	G93 K97 R98 Q99 I108 F113	G93-A95 PolarHBondContact O-N 3.41Å; A95-K97 PolarHBondContact O-N 2.93Å; A95-K97 VanDerWaalsContact O-N 3.12Å; A95-R98 HydrophobicContact CB-CB 4.07Å; A95-R98 HydrophobicContact CB-CG 4.15Å; A95-R98 WeakPolarHBondContact O-CA 3.28Å; A95-R98 WeakPolarHBondContact O-CB 3.39Å; A95-R98 PolarHBondContact O-N 2.6Å; A95-Q99 PolarHBondContact O-N 2.93Å; A95-I108 HydrophobicContact CB-CG2 4.48Å; A95-F113 HydrophobicContact CB-CE1 4.25Å; A95-F113 HydrophobicContact CB-CE2 3.45Å; A95-F113 VanDerWaalsContact CB-CE2 3.45Å; A95-F113 HydrophobicContact CB-CZ 3.25Å
96	L	91	Very high	91.4	Very high	115 Å²	115	85.5 Å²	85.5	60%	0.602	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-52.5	-36.7	180	-62.2	175.4	0	0	0	112.5	K94 R98 Q99	K94-L96 VanDerWaalsContact C-N 3.32Å; K94-L96 HydrophobicContact CB-CD2 4.03Å; K94-L96 HydrophobicContact CB-CG 4.09Å; K94-L96 HydrophobicContact CD-CD2 4.46Å; K94-L96 PolarHBondContact O-N 3.23Å; L96-R98 PolarHBondContact O-N 2.88Å; L96-Q99 WeakPolarHBondContact O-CB 3.32Å; L96-Q99 PolarHBondContact O-N 2.64Å
97	K	91.6	Very high	91.6	Very high	172 Å²	172	85.1 Å²	85.1	75%	0.748	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-62.2	-28.4	174.9	-64.5	-175.4	179.5	-178.1	0	113.5	A95 Q99 R103	A95-K97 PolarHBondContact O-N 2.93Å; A95-K97 VanDerWaalsContact O-N 3.12Å; K97-Q99 VanDerWaalsContact C-N 3.29Å; K97-R103 PolarHBondContact O-NH1 3.04Å; K97-R103 VanDerWaalsContact O-NH1 3.08Å
98	R	90.8	Very high	91.8	Very high	82 Å²	82	79.9 Å²	79.9	31%	0.309	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-81.8	-7	175.8	-66	-172	171.1	105.9	-14.8	113	A95 L96 G107 I108 F113 E116	A95-R98 HydrophobicContact CB-CB 4.07Å; A95-R98 HydrophobicContact CB-CG 4.15Å; A95-R98 WeakPolarHBondContact O-CA 3.28Å; A95-R98 WeakPolarHBondContact O-CB 3.39Å; A95-R98 PolarHBondContact O-N 2.6Å; L96-R98 PolarHBondContact O-N 2.88Å; R98-G107 VanDerWaalsContact O-CA 3.3Å; R98-G107 WeakPolarHBondContact O-CA 3.41Å; R98-I108 HydrophobicContact CB-CG2 3.78Å; R98-I108 PolarHBondContact O-N 2.85Å; R98-F113 VanDerWaalsContact CD-CD2 3.46Å; R98-F113 VanDerWaalsContact NH1-CD2 3.31Å; R98-E116 IonicContact CZ-OE2 2.8Å; R98-E116 IonicContact NH1-OE2 3.64Å; R98-E116 IonicContact NH2-OE2 2.79Å; R98-E116 PolarHBondContact NH2-OE2 2.92Å
99	Q	88.7	Confident	91.9	Very high	110 Å²	110	80.9 Å²	80.9	51%	0.514	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-97.8	-3.9	174	-63.1	-177	-35	0	0	112.8	A95 L96 K97 I108	A95-Q99 PolarHBondContact O-N 2.93Å; L96-Q99 WeakPolarHBondContact O-CB 3.32Å; L96-Q99 PolarHBondContact O-N 2.64Å; K97-Q99 VanDerWaalsContact C-N 3.29Å; Q99-I108 HydrophobicContact CG-CD1 4.27Å; Q99-I108 HydrophobicContact CG-CG2 3.62Å
100	L	90.5	Very high	91.9	Very high	109 Å²	109	83.1 Å²	83.1	57%	0.571	44%	0.439	S	S	*	.	S	Bend	trans	-65.9	145.5	178.1	-69.2	174.8	0	0	0	111	R103	L100-R103 WeakPolarHBondContact O-CD 3.38Å; L100-R103 WeakPolarHBondContact O-CG 3.45Å
101	P	85.9	Confident	92	Very high	89 Å²	89	84 Å²	84	58%	0.578	44%	0.438	S	S	*	.	S	Bend	trans	-66.9	166.2	173	30.5	-35.4	0	0	0	111.4	R103	P101-R103 VanDerWaalsContact C-N 3.34Å; P101-R103 PolarHBondContact O-N 3.1Å
102	F	87.3	Confident	91.9	Very high	209 Å²	209	86.8 Å²	86.8	92%	0.917	46%	0.459	S	S	*	.	S	Bend	trans	65.2	29.1	174.6	-42.8	-72.8	0	0	0	115.4
103	R	90.3	Very high	91.9	Very high	95 Å²	95	85.8 Å²	85.8	36%	0.358	45%	0.452	S	S	.	.			trans	-78.6	150.9	167.6	-63	177.7	63.9	80.4	10.4	110	K97 L100 P101 D105	K97-R103 PolarHBondContact O-NH1 3.04Å; K97-R103 VanDerWaalsContact O-NH1 3.08Å; L100-R103 WeakPolarHBondContact O-CD 3.38Å; L100-R103 WeakPolarHBondContact O-CG 3.45Å; P101-R103 VanDerWaalsContact C-N 3.34Å; P101-R103 PolarHBondContact O-N 3.1Å; R103-D105 VanDerWaalsContact C-N 3.31Å; R103-D105 WeakPolarHBondContact CB-OD1 3.18Å; R103-D105 IonicContact CZ-OD1 2.64Å; R103-D105 VanDerWaalsContact CZ-OD1 3.25Å; R103-D105 IonicContact CZ-OD2 2.69Å; R103-D105 IonicContact NE-OD1 3.25Å; R103-D105 PolarHBondContact NE-OD1 3.2Å; R103-D105 IonicContact NE-OD2 3Å; R103-D105 VanDerWaalsContact NH2-CG 3.27Å; R103-D105 IonicContact NH2-OD1 3.65Å; R103-D105 PolarHBondContact NH2-OD1 3.49Å; R103-D105 IonicContact NH2-OD2 2.71Å; R103-D105 PolarHBondContact NH2-OD2 2.71Å
104	S	91.1	Very high	92.3	Very high	137 Å²	137	83.8 Å²	83.8	96%	0.958	43%	0.428	S	S	*	.	S	Bend	trans	-82.9	-10.2	172	57.3	0	0	0	0	113.2
105	D	92.4	Very high	92.6	Very high	57 Å²	57	82.2 Å²	82.2	31%	0.305	42%	0.422	S	S	.	.	S	Bend	trans	-114.2	174.9	-179.2	69.1	8.4	0	0	0	111.3	R103 G107	R103-D105 VanDerWaalsContact C-N 3.31Å; R103-D105 WeakPolarHBondContact CB-OD1 3.18Å; R103-D105 IonicContact CZ-OD1 2.64Å; R103-D105 VanDerWaalsContact CZ-OD1 3.25Å; R103-D105 IonicContact CZ-OD2 2.69Å; R103-D105 IonicContact NE-OD1 3.25Å; R103-D105 PolarHBondContact NE-OD1 3.2Å; R103-D105 IonicContact NE-OD2 3Å; R103-D105 VanDerWaalsContact NH2-CG 3.27Å; R103-D105 IonicContact NH2-OD1 3.65Å; R103-D105 PolarHBondContact NH2-OD1 3.49Å; R103-D105 IonicContact NH2-OD2 2.71Å; R103-D105 PolarHBondContact NH2-OD2 2.71Å; D105-G107 PolarHBondContact O-N 2.9Å; D105-G107 WeakPolarHBondContact OD1-CA 3.35Å; D105-G107 PolarHBondContact OD1-N 3.37Å
106	D	91.6	Very high	92.9	Very high	91 Å²	91	86.4 Å²	86.4	49%	0.487	44%	0.439	S	S	.	.			trans	-80.3	9.1	179.7	-103.3	27.7	0	0	0	112.6	R44 I108 F109 E110	R44-D106 IonicContact NH1-OD2 3.9Å; R44-D106 PolarHBondContact NH1-OD2 3Å; D106-I108 PolarHBondContact O-N 2.91Å; D106-I108 VanDerWaalsContact O-N 3.13Å; D106-F109 HydrophobicContact CB-CB 4.21Å; D106-F109 WeakPolarHBondContact O-CB 3.47Å; D106-F109 PolarHBondContact O-N 3.03Å; D106-E110 PolarHBondContact N-OE2 3.22Å
107	G	93	Very high	93.2	Very high	3 Å²	3	81.8 Å²	81.8	3%	0.031	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	59.3	-113.7	172.3	0	0	0	0	0	113.4	R98 D105 F109 E110	R98-G107 VanDerWaalsContact O-CA 3.3Å; R98-G107 WeakPolarHBondContact O-CA 3.41Å; D105-G107 PolarHBondContact O-N 2.9Å; D105-G107 WeakPolarHBondContact OD1-CA 3.35Å; D105-G107 PolarHBondContact OD1-N 3.37Å; G107-F109 PolarHBondContact O-N 3.34Å; G107-E110 WeakPolarHBondContact O-CB 3.39Å; G107-E110 PolarHBondContact O-N 2.54Å
108	I	94.5	Very high	93.6	Very high	27 Å²	27	75.3 Å²	75.3	14%	0.138	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-75.7	-6	177.8	62.6	163	0	0	0	113.8	A95 R98 Q99 D106 F113	A95-I108 HydrophobicContact CB-CG2 4.48Å; R98-I108 HydrophobicContact CB-CG2 3.78Å; R98-I108 PolarHBondContact O-N 2.85Å; Q99-I108 HydrophobicContact CG-CD1 4.27Å; Q99-I108 HydrophobicContact CG-CG2 3.62Å; D106-I108 PolarHBondContact O-N 2.91Å; D106-I108 VanDerWaalsContact O-N 3.13Å; I108-F113 HydrophobicContact CB-CD1 4.16Å; I108-F113 HydrophobicContact CB-CE1 3.82Å; I108-F113 HydrophobicContact CG2-CD1 4.5Å; I108-F113 HydrophobicContact CG2-CE1 3.89Å; I108-F113 HydrophobicContact CG2-CZ 4.44Å; I108-F113 WeakPolarHBondContact O-CD1 3.41Å
109	F	94.9	Very high	93.9	Very high	40 Å²	40	78.1 Å²	78.1	18%	0.175	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-104.7	0.9	177.8	-53.6	-70.7	0	0	0	112.6	T37 R44 D106 G107 I114	T37-F109 HydrophobicContact CG2-CD1 3.7Å; T37-F109 HydrophobicContact CG2-CE1 4.03Å; R44-F109 HydrophobicContact CB-CE1 4.13Å; R44-F109 HydrophobicContact CB-CE2 4.49Å; R44-F109 HydrophobicContact CB-CZ 3.87Å; R44-F109 HydrophobicContact CG-CD1 4.13Å; R44-F109 HydrophobicContact CG-CE1 3.7Å; R44-F109 HydrophobicContact CG-CZ 3.91Å; R44-F109 WeakPolarHBondContact O-CZ 3.43Å; D106-F109 HydrophobicContact CB-CB 4.21Å; D106-F109 WeakPolarHBondContact O-CB 3.47Å; D106-F109 PolarHBondContact O-N 3.03Å; G107-F109 PolarHBondContact O-N 3.34Å; F109-I114 WeakPolarHBondContact O-CD1 3.35Å
110	E	95.3	Very high	94.4	Very high	70 Å²	70	73.7 Å²	73.7	33%	0.327	38%	0.378	S	S	.	.			trans	-64.5	130.8	172.9	-166.3	74.2	-168.3	0	0	110.3	D106 G107 S112 F113 I114	D106-E110 PolarHBondContact N-OE2 3.22Å; G107-E110 WeakPolarHBondContact O-CB 3.39Å; G107-E110 PolarHBondContact O-N 2.54Å; E110-S112 VanDerWaalsContact C-N 3.26Å; E110-S112 WeakPolarHBondContact CG-OG 3.48Å; E110-S112 PolarHBondContact O-N 3.45Å; E110-F113 HydrophobicContact CB-CB 4.24Å; E110-F113 WeakPolarHBondContact O-CB 3.37Å; E110-F113 PolarHBondContact O-N 3.32Å; E110-I114 WeakPolarHBondContact O-CG1 3.37Å; E110-I114 PolarHBondContact O-N 3.32Å
111	D	96.5	Very high	94.8	Very high	134 Å²	134	68.5 Å²	68.5	72%	0.717	35%	0.351	S	S	*	.	H	α-helix	trans	-55.2	-40.7	-176.2	-71.9	-17.1	0	0	0	112.8	F113 I114 E115	D111-F113 VanDerWaalsContact C-N 3.3Å; D111-F113 PolarHBondContact O-N 3.19Å; D111-I114 PolarHBondContact O-N 3.18Å; D111-E115 PolarHBondContact O-N 3.14Å
112	S	95.6	Very high	95.4	Very high	82 Å²	82	66.9 Å²	66.9	57%	0.573	34%	0.336	S	S	*	.	H	α-helix	trans	-61	-39.1	177.6	63	0	0	0	0	112.4	E110 E116	E110-S112 VanDerWaalsContact C-N 3.26Å; E110-S112 WeakPolarHBondContact CG-OG 3.48Å; E110-S112 PolarHBondContact O-N 3.45Å; S112-E116 WeakPolarHBondContact O-CB 3.27Å; S112-E116 PolarHBondContact O-N 2.89Å
113	F	96.1	Very high	95.9	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-75.2	-38.3	177.7	176	-104.1	0	0	0	112.1	A95 R98 I108 E110 D111 E115 E116 R117	A95-F113 HydrophobicContact CB-CE1 4.25Å; A95-F113 HydrophobicContact CB-CE2 3.45Å; A95-F113 VanDerWaalsContact CB-CE2 3.45Å; A95-F113 HydrophobicContact CB-CZ 3.25Å; R98-F113 VanDerWaalsContact CD-CD2 3.46Å; R98-F113 VanDerWaalsContact NH1-CD2 3.31Å; I108-F113 HydrophobicContact CB-CD1 4.16Å; I108-F113 HydrophobicContact CB-CE1 3.82Å; I108-F113 HydrophobicContact CG2-CD1 4.5Å; I108-F113 HydrophobicContact CG2-CE1 3.89Å; I108-F113 HydrophobicContact CG2-CZ 4.44Å; I108-F113 WeakPolarHBondContact O-CD1 3.41Å; E110-F113 HydrophobicContact CB-CB 4.24Å; E110-F113 WeakPolarHBondContact O-CB 3.37Å; E110-F113 PolarHBondContact O-N 3.32Å; D111-F113 VanDerWaalsContact C-N 3.3Å; D111-F113 PolarHBondContact O-N 3.19Å; F113-E115 VanDerWaalsContact C-N 3.31Å; F113-E115 PolarHBondContact O-N 3.45Å; F113-E116 PolarHBondContact O-N 3.49Å; F113-R117 VanDerWaalsContact CZ-NH2 3.29Å; F113-R117 VanDerWaalsContact O-CB 3.27Å; F113-R117 WeakPolarHBondContact O-CB 3.34Å; F113-R117 PolarHBondContact O-N 2.99Å
114	I	97.9	Very high	96.3	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-45.5	174.5	-69.3	173.9	0	0	0	109.9	A35 T46 Y48 F109 E110 D111 R117 R118	A35-I114 HydrophobicContact CB-CG2 3.33Å; T46-I114 HydrophobicContact CG2-CD1 4.18Å; T46-I114 HydrophobicContact CG2-CG1 4.33Å; T46-I114 HydrophobicContact CG2-CG2 4.11Å; Y48-I114 HydrophobicContact CE1-CG2 4Å; F109-I114 WeakPolarHBondContact O-CD1 3.35Å; E110-I114 WeakPolarHBondContact O-CG1 3.37Å; E110-I114 PolarHBondContact O-N 3.32Å; D111-I114 PolarHBondContact O-N 3.18Å; I114-R117 PolarHBondContact O-N 3.2Å; I114-R118 VanDerWaalsContact O-CB 3.28Å; I114-R118 WeakPolarHBondContact O-CB 3.44Å; I114-R118 PolarHBondContact O-N 2.83Å
115	E	98.1	Very high	96.6	Very high	67 Å²	67	51.9 Å²	51.9	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-42.2	177.1	177	55.1	-156.8	0	0	112.6	D111 F113 R117 R118 R119	D111-E115 PolarHBondContact O-N 3.14Å; F113-E115 VanDerWaalsContact C-N 3.31Å; F113-E115 PolarHBondContact O-N 3.45Å; E115-R117 VanDerWaalsContact C-N 3.32Å; E115-R117 PolarHBondContact O-N 3.38Å; E115-R118 PolarHBondContact O-N 3.43Å; E115-R118 IonicContact OE1-CZ 3.76Å; E115-R118 IonicContact OE1-NE 3.88Å; E115-R118 PolarHBondContact OE1-NE 3.07Å; E115-R118 IonicContact OE1-NH2 2.61Å; E115-R118 PolarHBondContact OE1-NH2 3.32Å; E115-R118 WeakPolarHBondContact OE2-CD 3.49Å; E115-R118 IonicContact OE2-CZ 3.9Å; E115-R118 IonicContact OE2-NE 3.57Å; E115-R118 PolarHBondContact OE2-NE 2.94Å; E115-R118 IonicContact OE2-NH2 3.4Å; E115-R119 WeakPolarHBondContact O-CG 3.27Å; E115-R119 PolarHBondContact O-N 2.86Å; E115-R119 IonicContact OE1-CZ 2.78Å; E115-R119 IonicContact OE1-NE 3.23Å; E115-R119 PolarHBondContact OE1-NE 3.47Å; E115-R119 IonicContact OE1-NH2 3.72Å; E115-R119 PolarHBondContact OE1-NH2 3.36Å
116	E	97.6	Very high	96.9	Very high	107 Å²	107	51.9 Å²	51.9	50%	0.5	26%	0.258	S	S	.	.	H	α-helix	trans	-55.3	-48.8	172.9	-175.4	-166.9	163.5	0	0	110.7	R98 S112 F113 G120	R98-E116 IonicContact CZ-OE2 2.8Å; R98-E116 IonicContact NH1-OE2 3.64Å; R98-E116 IonicContact NH2-OE2 2.79Å; R98-E116 PolarHBondContact NH2-OE2 2.92Å; S112-E116 WeakPolarHBondContact O-CB 3.27Å; S112-E116 PolarHBondContact O-N 2.89Å; F113-E116 PolarHBondContact O-N 3.49Å; E116-G120 PolarHBondContact O-N 3.28Å
117	R	98	Very high	97.1	Very high	19 Å²	19	54.1 Å²	54.1	7%	0.072	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-44.6	178.9	177	176	-82.4	175.2	-7.2	111.4	Y48 Y70 P92 K94 F113 I114 E115 R119 G120 L121	Y48-R117 WeakPolarHBondContact OH-CD 3.33Å; Y70-R117 HydrophobicContact CD2-CG 4.46Å; P92-R117 HydrophobicContact CG-CG 4.27Å; K94-R117 PolarHBondContact O-NH2 3.32Å; K94-R117 VanDerWaalsContact O-NH2 3.15Å; F113-R117 VanDerWaalsContact CZ-NH2 3.29Å; F113-R117 VanDerWaalsContact O-CB 3.27Å; F113-R117 WeakPolarHBondContact O-CB 3.34Å; F113-R117 PolarHBondContact O-N 2.99Å; I114-R117 PolarHBondContact O-N 3.2Å; E115-R117 VanDerWaalsContact C-N 3.32Å; E115-R117 PolarHBondContact O-N 3.38Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 3.39Å; R117-G120 PolarHBondContact O-N 3.5Å; R117-G120 VanDerWaalsContact O-N 3.14Å; R117-L121 HydrophobicContact CG-CD1 3.94Å; R117-L121 HydrophobicContact CG-CG 4.16Å; R117-L121 VanDerWaalsContact O-CG 3.31Å; R117-L121 WeakPolarHBondContact O-CG 3.43Å; R117-L121 PolarHBondContact O-N 3.09Å
118	R	98.5	Very high	97.3	Very high	36 Å²	36	54 Å²	54	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-53.9	-48.8	177.6	-173.7	-151.1	65.9	68.9	-3.6	111.1	V32 Y48 I114 E115 G120 L121 E122	V32-R118 HydrophobicContact CB-CG 4.35Å; V32-R118 HydrophobicContact CG1-CG 3.96Å; V32-R118 WeakPolarHBondContact O-CD 3.36Å; V32-R118 WeakPolarHBondContact O-CG 3.33Å; V32-R118 PolarHBondContact O-NH1 2.67Å; Y48-R118 HydrophobicContact CD1-CB 3.98Å; Y48-R118 HydrophobicContact CD1-CG 3.89Å; Y48-R118 HydrophobicContact CE1-CB 3.76Å; Y48-R118 HydrophobicContact CE1-CG 4.21Å; I114-R118 VanDerWaalsContact O-CB 3.28Å; I114-R118 WeakPolarHBondContact O-CB 3.44Å; I114-R118 PolarHBondContact O-N 2.83Å; E115-R118 PolarHBondContact O-N 3.43Å; E115-R118 IonicContact OE1-CZ 3.76Å; E115-R118 IonicContact OE1-NE 3.88Å; E115-R118 PolarHBondContact OE1-NE 3.07Å; E115-R118 IonicContact OE1-NH2 2.61Å; E115-R118 PolarHBondContact OE1-NH2 3.32Å; E115-R118 WeakPolarHBondContact OE2-CD 3.49Å; E115-R118 IonicContact OE2-CZ 3.9Å; E115-R118 IonicContact OE2-NE 3.57Å; E115-R118 PolarHBondContact OE2-NE 2.94Å; E115-R118 IonicContact OE2-NH2 3.4Å; R118-G120 PolarHBondContact O-N 3.06Å; R118-L121 PolarHBondContact O-N 3.43Å; R118-E122 IonicContact NH1-OE1 3.22Å; R118-E122 PolarHBondContact NH1-OE1 3.08Å; R118-E122 IonicContact NH1-OE2 3.95Å; R118-E122 PolarHBondContact O-N 3.27Å
119	R	98.5	Very high	97.4	Very high	141 Å²	141	52.7 Å²	52.7	53%	0.532	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-45.9	175.4	-71.1	177.2	-174.6	-147.6	-0.3	112.4	E115 R117 L121 E122 Q123	E115-R119 WeakPolarHBondContact O-CG 3.27Å; E115-R119 PolarHBondContact O-N 2.86Å; E115-R119 IonicContact OE1-CZ 2.78Å; E115-R119 IonicContact OE1-NE 3.23Å; E115-R119 PolarHBondContact OE1-NE 3.47Å; E115-R119 IonicContact OE1-NH2 3.72Å; E115-R119 PolarHBondContact OE1-NH2 3.36Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 3.39Å; R119-L121 VanDerWaalsContact C-N 3.33Å; R119-L121 PolarHBondContact O-N 2.87Å; R119-E122 PolarHBondContact O-N 2.93Å; R119-Q123 WeakPolarHBondContact O-CG 3.44Å; R119-Q123 PolarHBondContact O-N 3.03Å
120	G	98.4	Very high	97.3	Very high	16 Å²	16	53.1 Å²	53.1	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-38.7	177.8	0	0	0	0	0	112.9	E116 R117 R118 F124	E116-G120 PolarHBondContact O-N 3.28Å; R117-G120 PolarHBondContact O-N 3.5Å; R117-G120 VanDerWaalsContact O-N 3.14Å; R118-G120 PolarHBondContact O-N 3.06Å; G120-F124 WeakPolarHBondContact O-CB 3.31Å; G120-F124 PolarHBondContact O-N 3.09Å
121	L	98.8	Very high	97.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-40.6	176.2	-69.5	176.9	0	0	0	111.9	V32 Y48 Y70 F73 L91 P92 R117 R118 R119 F124 I125	V32-L121 HydrophobicContact CG1-CB 4.36Å; Y48-L121 HydrophobicContact CD2-CD1 3.66Å; Y48-L121 HydrophobicContact CE2-CD1 3.52Å; Y48-L121 HydrophobicContact CG-CD1 4.34Å; Y70-L121 HydrophobicContact CD2-CD2 4.04Å; Y70-L121 HydrophobicContact CE2-CD2 4.39Å; F73-L121 HydrophobicContact CB-CD2 3.98Å; F73-L121 HydrophobicContact CD1-CB 4.44Å; F73-L121 HydrophobicContact CD1-CD2 3.79Å; F73-L121 HydrophobicContact CD2-CD1 4.14Å; F73-L121 HydrophobicContact CD2-CD2 3.88Å; F73-L121 HydrophobicContact CE1-CB 3.97Å; F73-L121 HydrophobicContact CE1-CD2 4.15Å; F73-L121 HydrophobicContact CE2-CD1 3.88Å; F73-L121 HydrophobicContact CE2-CD2 4.26Å; F73-L121 HydrophobicContact CE2-CG 4.45Å; F73-L121 HydrophobicContact CG-CD2 3.63Å; F73-L121 HydrophobicContact CZ-CB 4.03Å; F73-L121 HydrophobicContact CZ-CD1 4.2Å; F73-L121 HydrophobicContact CZ-CD2 4.38Å; F73-L121 HydrophobicContact CZ-CG 4.43Å; L91-L121 HydrophobicContact CD2-CD2 3.93Å; P92-L121 HydrophobicContact CG-CD2 3.77Å; P92-L121 HydrophobicContact CG-CG 3.91Å; R117-L121 HydrophobicContact CG-CD1 3.94Å; R117-L121 HydrophobicContact CG-CG 4.16Å; R117-L121 VanDerWaalsContact O-CG 3.31Å; R117-L121 WeakPolarHBondContact O-CG 3.43Å; R117-L121 PolarHBondContact O-N 3.09Å; R118-L121 PolarHBondContact O-N 3.43Å; R119-L121 VanDerWaalsContact C-N 3.33Å; R119-L121 PolarHBondContact O-N 2.87Å; L121-F124 WeakPolarHBondContact O-CB 3.48Å; L121-F124 PolarHBondContact O-N 3.49Å; L121-I125 WeakPolarHBondContact O-CG2 3.38Å; L121-I125 PolarHBondContact O-N 3.39Å
122	E	98.7	Very high	97	Very high	56 Å²	56	50.7 Å²	50.7	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-46.5	175.1	-168	171.2	-76.9	0	0	112.1	V32 R118 R119 F124 I125 N126	V32-E122 HydrophobicContact CB-CB 3.96Å; V32-E122 HydrophobicContact CB-CG 4.41Å; V32-E122 HydrophobicContact CG2-CB 3.95Å; V32-E122 HydrophobicContact CG2-CG 4.31Å; V32-E122 PolarHBondContact N-OE1 3.4Å; R118-E122 IonicContact NH1-OE1 3.22Å; R118-E122 PolarHBondContact NH1-OE1 3.08Å; R118-E122 IonicContact NH1-OE2 3.95Å; R118-E122 PolarHBondContact O-N 3.27Å; R119-E122 PolarHBondContact O-N 2.93Å; E122-F124 VanDerWaalsContact C-N 3.32Å; E122-F124 PolarHBondContact O-N 3.32Å; E122-I125 WeakPolarHBondContact O-CG2 3.33Å; E122-I125 PolarHBondContact O-N 3.35Å; E122-N126 WeakPolarHBondContact O-CB 3.38Å; E122-N126 PolarHBondContact O-N 3.3Å; E122-N126 PolarHBondContact O-ND2 3.41Å
123	Q	98.1	Very high	96.9	Very high	122 Å²	122	50.5 Å²	50.5	57%	0.57	25%	0.254	S	S	*	.	H	α-helix	trans	-62.5	-40.9	176	-71.4	176.7	7.3	0	0	112	R119 K127	R119-Q123 WeakPolarHBondContact O-CG 3.44Å; R119-Q123 PolarHBondContact O-N 3.03Å; Q123-K127 WeakPolarHBondContact O-CB 3.45Å; Q123-K127 VanDerWaalsContact O-CG 3.28Å; Q123-K127 WeakPolarHBondContact O-CG 3.46Å; Q123-K127 PolarHBondContact O-N 3.36Å
124	F	98.4	Very high	96.9	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-55.3	175.8	167.7	-90.8	0	0	0	110.9	F73 L76 R77 V88 P89 L91 G120 L121 E122 N126 K127 V128	F73-F124 AromaticContact CD1-CD1 3.89Å; F73-F124 HydrophobicContact CD1-CD1 3.89Å; F73-F124 HydrophobicContact CD1-CE1 4.09Å; L76-F124 HydrophobicContact CD2-CE1 4.43Å; R77-F124 HydrophobicContact CB-CE2 4.37Å; R77-F124 HydrophobicContact CB-CZ 4.02Å; R77-F124 HydrophobicContact CG-CE2 4.06Å; R77-F124 HydrophobicContact CG-CZ 4.2Å; V88-F124 HydrophobicContact CG1-CE2 3.71Å; V88-F124 HydrophobicContact CG1-CZ 4.04Å; P89-F124 HydrophobicContact CG-CD2 3.91Å; P89-F124 HydrophobicContact CG-CE2 4.29Å; P89-F124 WeakPolarHBondContact O-CD2 3.23Å; P89-F124 VanDerWaalsContact O-CE2 3.27Å; P89-F124 WeakPolarHBondContact O-CE2 3.12Å; L91-F124 HydrophobicContact CD2-CB 4.16Å; L91-F124 HydrophobicContact CD2-CD1 3.56Å; L91-F124 HydrophobicContact CD2-CD2 3.49Å; L91-F124 VanDerWaalsContact CD2-CD2 3.49Å; L91-F124 HydrophobicContact CD2-CE1 3.73Å; L91-F124 HydrophobicContact CD2-CE2 3.64Å; L91-F124 HydrophobicContact CD2-CG 3.45Å; L91-F124 VanDerWaalsContact CD2-CG 3.45Å; L91-F124 HydrophobicContact CD2-CZ 3.77Å; L91-F124 HydrophobicContact CG-CD2 3.83Å; L91-F124 HydrophobicContact CG-CE2 3.72Å; L91-F124 HydrophobicContact CG-CG 4.31Å; L91-F124 HydrophobicContact CG-CZ 4.12Å; G120-F124 WeakPolarHBondContact O-CB 3.31Å; G120-F124 PolarHBondContact O-N 3.09Å; L121-F124 WeakPolarHBondContact O-CB 3.48Å; L121-F124 PolarHBondContact O-N 3.49Å; E122-F124 VanDerWaalsContact C-N 3.32Å; E122-F124 PolarHBondContact O-N 3.32Å; F124-N126 PolarHBondContact O-N 3.3Å; F124-K127 PolarHBondContact O-N 2.91Å; F124-V128 HydrophobicContact CD1-CG2 4.44Å; F124-V128 HydrophobicContact CD2-CG2 4.26Å; F124-V128 HydrophobicContact CE1-CG2 4.12Å; F124-V128 HydrophobicContact CE2-CG2 3.93Å; F124-V128 HydrophobicContact CG-CG2 4.5Å; F124-V128 HydrophobicContact CZ-CG2 3.86Å; F124-V128 VanDerWaalsContact O-CG2 3.31Å; F124-V128 WeakPolarHBondContact O-CG2 3.19Å; F124-V128 PolarHBondContact O-N 2.95Å
125	I	98.5	Very high	96.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-37.9	-171.5	-168.1	60.6	0	0	0	112.2	I30 V32 F73 L76 L121 E122 K127 V128 A129 M140 F143 L144	I30-I125 HydrophobicContact CB-CG2 4.23Å; I30-I125 HydrophobicContact CD1-CG1 3.92Å; I30-I125 HydrophobicContact CG2-CG1 4.22Å; I30-I125 HydrophobicContact CG2-CG2 3.62Å; V32-I125 HydrophobicContact CG2-CG2 3.92Å; F73-I125 HydrophobicContact CE1-CB 4.19Å; L76-I125 HydrophobicContact CD2-CD1 3.59Å; L121-I125 WeakPolarHBondContact O-CG2 3.38Å; L121-I125 PolarHBondContact O-N 3.39Å; E122-I125 WeakPolarHBondContact O-CG2 3.33Å; E122-I125 PolarHBondContact O-N 3.35Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.45Å; I125-V128 PolarHBondContact O-N 3.1Å; I125-A129 WeakPolarHBondContact O-CB 3.49Å; I125-A129 PolarHBondContact O-N 3.4Å; I125-M140 HydrophobicContact CD1-SD 4.39Å; I125-F143 HydrophobicContact CD1-CD1 3.89Å; I125-F143 HydrophobicContact CD1-CE1 3.65Å; I125-F143 HydrophobicContact CG1-CE1 4.1Å; I125-L144 HydrophobicContact CD1-CD2 4.22Å; I125-L144 HydrophobicContact CG1-CD2 4.04Å
126	N	97.6	Very high	96.6	Very high	57 Å²	57	50.6 Å²	50.6	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-40.8	175.7	-80.9	-74.8	0	0	0	112	I30 E122 F124 G130	I30-N126 PolarHBondContact N-OD1 3.29Å; I30-N126 PolarHBondContact O-ND2 2.98Å; I30-N126 PolarHBondContact O-OD1 3.19Å; E122-N126 WeakPolarHBondContact O-CB 3.38Å; E122-N126 PolarHBondContact O-N 3.3Å; E122-N126 PolarHBondContact O-ND2 3.41Å; F124-N126 PolarHBondContact O-N 3.3Å; N126-G130 PolarHBondContact O-N 3.02Å; N126-G130 VanDerWaalsContact O-N 3.11Å
127	K	96.3	Very high	96.5	Very high	137 Å²	137	46 Å²	46	60%	0.596	23%	0.234	S	C	*	.	H	α-helix	trans	-64.9	-43.7	176.2	-76.4	176.9	-178.3	177.2	0	112.2	P89 Q123 F124 I125	P89-K127 HydrophobicContact CB-CD 4.14Å; P89-K127 HydrophobicContact CG-CB 3.9Å; P89-K127 HydrophobicContact CG-CD 4.37Å; Q123-K127 WeakPolarHBondContact O-CB 3.45Å; Q123-K127 VanDerWaalsContact O-CG 3.28Å; Q123-K127 WeakPolarHBondContact O-CG 3.46Å; Q123-K127 PolarHBondContact O-N 3.36Å; F124-K127 PolarHBondContact O-N 2.91Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.45Å
128	V	96.7	Very high	96.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-50.7	-178.9	179.9	0	0	0	0	110.9	L80 V88 P89 F124 I125 G130 H131 A134 M140	L80-V128 HydrophobicContact CD1-CG1 3.17Å; V88-V128 HydrophobicContact CG1-CG2 4.01Å; P89-V128 HydrophobicContact CG-CG2 3.62Å; F124-V128 HydrophobicContact CD1-CG2 4.44Å; F124-V128 HydrophobicContact CD2-CG2 4.26Å; F124-V128 HydrophobicContact CE1-CG2 4.12Å; F124-V128 HydrophobicContact CE2-CG2 3.93Å; F124-V128 HydrophobicContact CG-CG2 4.5Å; F124-V128 HydrophobicContact CZ-CG2 3.86Å; F124-V128 VanDerWaalsContact O-CG2 3.31Å; F124-V128 WeakPolarHBondContact O-CG2 3.19Å; F124-V128 PolarHBondContact O-N 2.95Å; I125-V128 PolarHBondContact O-N 3.1Å; V128-G130 PolarHBondContact O-N 2.82Å; V128-H131 VanDerWaalsContact O-CB 3.3Å; V128-H131 WeakPolarHBondContact O-CB 3.44Å; V128-H131 PolarHBondContact O-N 3.03Å; V128-A134 HydrophobicContact CG1-CB 4.08Å; V128-A134 WeakPolarHBondContact O-CB 3.39Å; V128-M140 HydrophobicContact CB-CE 4.28Å; V128-M140 HydrophobicContact CG1-CE 3.39Å
129	A	96.5	Very high	96.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.3	-24	-175.1	0	0	0	0	0	112.4	L28 I30 I125 H131 Q135 M140 L144	L28-A129 HydrophobicContact CD2-CB 3.8Å; L28-A129 VanDerWaalsContact CD2-O 3.23Å; L28-A129 WeakPolarHBondContact CD2-O 3.47Å; I30-A129 HydrophobicContact CD1-CB 3.4Å; I30-A129 VanDerWaalsContact CD1-CB 3.4Å; I125-A129 WeakPolarHBondContact O-CB 3.49Å; I125-A129 PolarHBondContact O-N 3.4Å; A129-H131 PolarHBondContact O-N 2.84Å; A129-Q135 WeakPolarHBondContact O-CG 3.36Å; A129-Q135 PolarHBondContact O-NE2 2.97Å; A129-M140 HydrophobicContact CB-CE 4.27Å; A129-M140 HydrophobicContact CB-SD 4.01Å; A129-L144 HydrophobicContact CB-CD1 4.26Å
130	G	93.6	Very high	96.2	Very high	48 Å²	48	40.8 Å²	40.8	50%	0.495	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.5	170.6	0	0	0	0	0	114.6	N126 V128	N126-G130 PolarHBondContact O-N 3.02Å; N126-G130 VanDerWaalsContact O-N 3.11Å; V128-G130 PolarHBondContact O-N 2.82Å
131	H	93.8	Very high	96.2	Very high	72 Å²	72	40.7 Å²	40.7	33%	0.333	21%	0.213	S	C	.	.	S	Bend	trans	-87.2	121.5	-177.7	-164.9	-75.6	0	0	0	111.8	V86 V128 A129 L133 A134 Q135	V86-H131 HydrophobicContact CG1-CB 4.42Å; V128-H131 VanDerWaalsContact O-CB 3.3Å; V128-H131 WeakPolarHBondContact O-CB 3.44Å; V128-H131 PolarHBondContact O-N 3.03Å; A129-H131 PolarHBondContact O-N 2.84Å; H131-L133 VanDerWaalsContact C-N 3.29Å; H131-L133 WeakPolarHBondContact ND1-CB 3.24Å; H131-L133 PolarHBondContact ND1-N 2.91Å; H131-L133 VanDerWaalsContact ND1-N 3.2Å; H131-L133 PolarHBondContact O-N 2.61Å; H131-L133 VanDerWaalsContact O-N 3.16Å; H131-A134 HydrophobicContact CB-CB 4.17Å; H131-A134 WeakPolarHBondContact O-CB 3.32Å; H131-A134 PolarHBondContact O-N 2.87Å; H131-Q135 PolarHBondContact O-N 3.12Å
132	P	92.1	Very high	96.1	Very high	82 Å²	82	41.3 Å²	41.3	53%	0.532	22%	0.216	S	C	.	.	H	α-helix	trans	-56.8	-36.7	-176.1	-27.9	35.2	0	0	0	114.6	Q135 N136	P132-Q135 PolarHBondContact O-N 2.79Å; P132-N136 PolarHBondContact O-N 2.96Å; P132-N136 PolarHBondContact O-ND2 3.25Å
133	L	93.4	Very high	96.1	Very high	78 Å²	78	38.7 Å²	38.7	41%	0.408	20%	0.203	S	C	.	.	H	α-helix	trans	-66.1	-36.8	175.4	-61.2	-179.2	0	0	0	112.5	V86 H131 N136	V86-L133 HydrophobicContact CG2-CB 3.69Å; H131-L133 VanDerWaalsContact C-N 3.29Å; H131-L133 WeakPolarHBondContact ND1-CB 3.24Å; H131-L133 PolarHBondContact ND1-N 2.91Å; H131-L133 VanDerWaalsContact ND1-N 3.2Å; H131-L133 PolarHBondContact O-N 2.61Å; H131-L133 VanDerWaalsContact O-N 3.16Å; L133-N136 PolarHBondContact O-N 2.87Å
134	A	95.3	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.4	-35.8	177	0	0	0	0	0	111.1	L80 V86 V128 H131 N136 E137 M140	L80-A134 HydrophobicContact CD1-CB 4.4Å; L80-A134 HydrophobicContact CD2-CB 4.04Å; V86-A134 HydrophobicContact CG2-CB 4.27Å; V128-A134 HydrophobicContact CG1-CB 4.08Å; V128-A134 WeakPolarHBondContact O-CB 3.39Å; H131-A134 HydrophobicContact CB-CB 4.17Å; H131-A134 WeakPolarHBondContact O-CB 3.32Å; H131-A134 PolarHBondContact O-N 2.87Å; A134-N136 PolarHBondContact O-N 3.43Å; A134-E137 PolarHBondContact O-N 2.96Å; A134-E137 VanDerWaalsContact O-N 3.08Å; A134-M140 HydrophobicContact CB-CE 3.98Å; A134-M140 WeakPolarHBondContact O-CB 3.33Å
135	Q	94.9	Very high	96.1	Very high	26 Å²	26	33.9 Å²	33.9	12%	0.121	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-23.6	174.4	-64.3	176.6	-1.1	0	0	112.9	I58 F59 A129 H131 P132 E137 H141	I58-Q135 HydrophobicContact CD1-CB 4.09Å; I58-Q135 WeakPolarHBondContact CD1-O 3.29Å; I58-Q135 HydrophobicContact CG2-CB 4.39Å; F59-Q135 HydrophobicContact CE2-CG 4.26Å; F59-Q135 HydrophobicContact CZ-CG 4.19Å; A129-Q135 WeakPolarHBondContact O-CG 3.36Å; A129-Q135 PolarHBondContact O-NE2 2.97Å; H131-Q135 PolarHBondContact O-N 3.12Å; P132-Q135 PolarHBondContact O-N 2.79Å; Q135-E137 VanDerWaalsContact C-N 3.34Å; Q135-H141 PolarHBondContact O-NE2 2.98Å
136	N	94	Very high	96.1	Very high	60 Å²	60	38.3 Å²	38.3	32%	0.321	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12	176.3	-70.7	-34.2	0	0	0	113.5	I58 P132 L133 A134 K157 I158	I58-N136 VanDerWaalsContact CD1-OD1 3.27Å; I58-N136 WeakPolarHBondContact CD1-OD1 3.4Å; P132-N136 PolarHBondContact O-N 2.96Å; P132-N136 PolarHBondContact O-ND2 3.25Å; L133-N136 PolarHBondContact O-N 2.87Å; A134-N136 PolarHBondContact O-N 3.43Å; N136-K157 CarbonylContact O-C 3.59Å; N136-K157 WeakPolarHBondContact O-CA 3.27Å; N136-K157 WeakPolarHBondContact O-CB 3.17Å; N136-I158 PolarHBondContact O-N 3.44Å
137	E	95.6	Very high	96.1	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.047	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-89	133.3	-175.1	-63	-55.3	141.9	0	0	112	L80 A134 Q135 C139 M140 H141	L80-E137 HydrophobicContact CD2-CB 4.02Å; L80-E137 HydrophobicContact CD2-CG 3.92Å; A134-E137 PolarHBondContact O-N 2.96Å; A134-E137 VanDerWaalsContact O-N 3.08Å; Q135-E137 VanDerWaalsContact C-N 3.34Å; E137-C139 PolarHBondContact O-N 3.33Å; E137-M140 WeakPolarHBondContact O-CB 3.46Å; E137-M140 PolarHBondContact O-N 3.06Å; E137-H141 PolarHBondContact O-CD2 3.15Å
138	K	96.1	Very high	96.1	Very high	86 Å²	86	42.1 Å²	42.1	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-35.6	178.5	-79.3	175.8	178.5	-173.8	0	113.1	M140 H141 M142 Y153 G156 K157 I158	K138-M140 PolarHBondContact O-N 3.49Å; K138-H141 PolarHBondContact O-N 2.92Å; K138-M142 PolarHBondContact O-N 3.28Å; K138-Y153 HydrophobicContact CB-CE2 4.26Å; K138-G156 VanDerWaalsContact CB-O 3.23Å; K138-G156 WeakPolarHBondContact CB-O 3.35Å; K138-G156 WeakPolarHBondContact CG-O 3.39Å; K138-G156 PolarHBondContact N-O 3.12Å; K138-K157 WeakPolarHBondContact CE-O 3.46Å; K138-I158 HydrophobicContact CB-CD1 4.49Å; K138-I158 HydrophobicContact CG-CD1 3.92Å
139	C	96.7	Very high	96.1	Very high	2 Å²	2	43 Å²	43	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-32.8	179	60.5	0	0	0	0	112.7	W75 L76 E79 E137 F143 Y153	W75-C139 HydrophobicContact CH2-CB 3.8Å; W75-C139 HydrophobicContact CZ2-CB 4.28Å; W75-C139 HydrophobicContact CZ3-CB 4.39Å; L76-C139 HydrophobicContact CD1-CB 4.28Å; E79-C139 HydrophobicContact CB-CB 3.96Å; E79-C139 HydrophobicContact CG-CB 4.25Å; E137-C139 PolarHBondContact O-N 3.33Å; C139-F143 WeakPolarHBondContact O-CB 3.47Å; C139-F143 PolarHBondContact O-N 2.8Å; C139-Y153 HydrophobicContact CB-CE2 4.24Å; C139-Y153 WeakPolarHBondContact CB-OH 3.46Å
140	M	97	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-43.6	176.1	-179.6	55.9	68.9	0	0	111.5	F59 L76 L80 I125 V128 A129 A134 E137 K138 F143 L144	F59-M140 HydrophobicContact CE1-CG 4.43Å; L76-M140 HydrophobicContact CD1-CE 4.43Å; L76-M140 HydrophobicContact CD2-CE 4.23Å; L80-M140 HydrophobicContact CD1-CE 4.07Å; I125-M140 HydrophobicContact CD1-SD 4.39Å; V128-M140 HydrophobicContact CB-CE 4.28Å; V128-M140 HydrophobicContact CG1-CE 3.39Å; A129-M140 HydrophobicContact CB-CE 4.27Å; A129-M140 HydrophobicContact CB-SD 4.01Å; A134-M140 HydrophobicContact CB-CE 3.98Å; A134-M140 WeakPolarHBondContact O-CB 3.33Å; E137-M140 WeakPolarHBondContact O-CB 3.46Å; E137-M140 PolarHBondContact O-N 3.06Å; K138-M140 PolarHBondContact O-N 3.49Å; M140-F143 PolarHBondContact O-N 3.38Å; M140-L144 HydrophobicContact CG-CD1 4.18Å; M140-L144 WeakPolarHBondContact O-CG 2.7Å; M140-L144 PolarHBondContact O-N 2.69Å; M140-L144 HydrophobicContact SD-CD1 3.54Å; M140-L144 VanDerWaalsContact SD-CD1 3.54Å; M140-L144 HydrophobicContact SD-CG 4Å
141	H	97.5	Very high	96.1	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-70.2	-44.3	-180	-69.1	-98.3	0	0	0	111.5	I58 F59 Q135 E137 K138 F143 L144 Q145 I158	I58-H141 PolarHBondContact O-CE1 2.79Å; F59-H141 AromaticContact CD1-CE1 3.42Å; F59-H141 VanDerWaalsContact CD1-CE1 3.42Å; F59-H141 WeakPolarHBondContact CD1-CE1 3.36Å; F59-H141 AromaticContact CD1-ND1 3.56Å; F59-H141 AromaticContact CE1-CE1 3.64Å; F59-H141 AromaticContact CE1-ND1 3.95Å; Q135-H141 PolarHBondContact O-NE2 2.98Å; E137-H141 PolarHBondContact O-CD2 3.15Å; K138-H141 PolarHBondContact O-N 2.92Å; H141-F143 VanDerWaalsContact C-N 3.28Å; H141-F143 PolarHBondContact O-N 3.2Å; H141-L144 PolarHBondContact O-N 3Å; H141-Q145 WeakPolarHBondContact O-CB 3.44Å; H141-Q145 PolarHBondContact O-N 3.13Å; H141-I158 HydrophobicContact CB-CD1 3.93Å; H141-I158 VanDerWaalsContact CD2-CD1 3.49Å; H141-I158 WeakPolarHBondContact CD2-CD1 3.47Å; H141-I158 WeakPolarHBondContact CD2-CG1 3.42Å; H141-I158 WeakPolarHBondContact NE2-CG1 3.14Å
142	M	97.5	Very high	96.2	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.064	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-44.1	172.5	-177.5	179.7	-62.5	0	0	111.1	R68 W75 K138 L144 E146 V149 D150 Y153	R68-M142 PolarHBondContact NH2-O 2.69Å; W75-M142 HydrophobicContact CH2-CG 4.49Å; W75-M142 HydrophobicContact CH2-SD 3.94Å; W75-M142 HydrophobicContact CZ2-SD 4.28Å; K138-M142 PolarHBondContact O-N 3.28Å; M142-L144 PolarHBondContact O-N 3.44Å; M142-E146 HydrophobicContact CG-CB 4.4Å; M142-E146 PolarHBondContact O-N 3.47Å; M142-V149 HydrophobicContact CG-CG1 4.45Å; M142-V149 HydrophobicContact SD-CG1 3.99Å; M142-D150 HydrophobicContact CE-CB 4.18Å; M142-D150 HydrophobicContact SD-CB 4.14Å; M142-D150 PolarHBondContact SD-N 3.43Å; M142-Y153 VanDerWaalsContact CE-CB 3.42Å; M142-Y153 HydrophobicContact CE-CD2 3.82Å; M142-Y153 HydrophobicContact CE-CG 3.68Å; M142-Y153 HydrophobicContact SD-CG 4.23Å
143	F	98.5	Very high	96.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-41.4	179.4	-175.6	-92.4	0	0	0	112.8	V66 R68 D72 F73 W75 L76 I125 C139 M140 H141	V66-F143 WeakPolarHBondContact CG2-O 3.41Å; R68-F143 HydrophobicContact CB-CE2 4.23Å; R68-F143 HydrophobicContact CB-CZ 4.1Å; R68-F143 HydrophobicContact CG-CD2 4.41Å; R68-F143 HydrophobicContact CG-CE1 4.31Å; R68-F143 HydrophobicContact CG-CE2 3.78Å; R68-F143 HydrophobicContact CG-CZ 3.72Å; R68-F143 VanDerWaalsContact CZ-O 3.23Å; R68-F143 PolarHBondContact NE-O 3.23Å; R68-F143 PolarHBondContact NH2-O 3.23Å; D72-F143 HydrophobicContact CB-CE2 4.02Å; F73-F143 HydrophobicContact CD1-CE1 4.33Å; F73-F143 HydrophobicContact CD1-CE2 4.39Å; F73-F143 AromaticContact CD1-CZ 3.6Å; F73-F143 HydrophobicContact CD1-CZ 3.6Å; F73-F143 HydrophobicContact CD2-CE2 4.35Å; F73-F143 AromaticContact CD2-CZ 3.98Å; F73-F143 HydrophobicContact CD2-CZ 3.98Å; F73-F143 HydrophobicContact CE1-CE1 4.07Å; F73-F143 AromaticContact CE1-CZ 3.57Å; F73-F143 HydrophobicContact CE1-CZ 3.57Å; F73-F143 AromaticContact CE2-CZ 3.94Å; F73-F143 HydrophobicContact CE2-CZ 3.94Å; F73-F143 HydrophobicContact CG-CE2 4.22Å; F73-F143 AromaticContact CG-CZ 3.81Å; F73-F143 HydrophobicContact CG-CZ 3.81Å; F73-F143 HydrophobicContact CZ-CE1 4.39Å; F73-F143 AromaticContact CZ-CZ 3.74Å; F73-F143 HydrophobicContact CZ-CZ 3.74Å; W75-F143 HydrophobicContact CZ3-CB 4.3Å; W75-F143 HydrophobicContact CZ3-CD2 4.36Å; L76-F143 HydrophobicContact CB-CD2 4.03Å; L76-F143 HydrophobicContact CB-CE2 4.38Å; L76-F143 HydrophobicContact CB-CG 4.41Å; L76-F143 HydrophobicContact CD1-CB 4.11Å; L76-F143 HydrophobicContact CD1-CG 4.44Å; L76-F143 HydrophobicContact CD2-CB 4.19Å; L76-F143 HydrophobicContact CD2-CD1 3.72Å; L76-F143 HydrophobicContact CD2-CD2 4.05Å; L76-F143 HydrophobicContact CD2-CE1 4.08Å; L76-F143 HydrophobicContact CD2-CE2 4.37Å; L76-F143 HydrophobicContact CD2-CG 3.7Å; L76-F143 HydrophobicContact CD2-CZ 4.39Å; L76-F143 HydrophobicContact CG-CG 4.41Å; I125-F143 HydrophobicContact CD1-CD1 3.89Å; I125-F143 HydrophobicContact CD1-CE1 3.65Å; I125-F143 HydrophobicContact CG1-CE1 4.1Å; C139-F143 WeakPolarHBondContact O-CB 3.47Å; C139-F143 PolarHBondContact O-N 2.8Å; M140-F143 PolarHBondContact O-N 3.38Å; H141-F143 VanDerWaalsContact C-N 3.28Å; H141-F143 PolarHBondContact O-N 3.2Å
144	L	98.6	Very high	96.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-92.1	-24.9	-173.9	-66.8	177.2	0	0	0	114.9	I30 V50 M52 F59 S64 I125 A129 M140 H141 M142	I30-L144 HydrophobicContact CD1-CD1 3.81Å; I30-L144 HydrophobicContact CD1-CD2 3.84Å; I30-L144 HydrophobicContact CG2-CD2 4.48Å; V50-L144 HydrophobicContact CG1-CD2 3.92Å; M52-L144 HydrophobicContact SD-CB 4.19Å; M52-L144 HydrophobicContact SD-CD1 4.09Å; F59-L144 HydrophobicContact CE1-CD1 3.96Å; F59-L144 HydrophobicContact CZ-CD1 4.27Å; S64-L144 WeakPolarHBondContact CB-O 3.28Å; S64-L144 PolarHBondContact OG-O 3.21Å; I125-L144 HydrophobicContact CD1-CD2 4.22Å; I125-L144 HydrophobicContact CG1-CD2 4.04Å; A129-L144 HydrophobicContact CB-CD1 4.26Å; M140-L144 HydrophobicContact CG-CD1 4.18Å; M140-L144 WeakPolarHBondContact O-CG 2.7Å; M140-L144 PolarHBondContact O-N 2.69Å; M140-L144 HydrophobicContact SD-CD1 3.54Å; M140-L144 VanDerWaalsContact SD-CD1 3.54Å; M140-L144 HydrophobicContact SD-CG 4Å; H141-L144 PolarHBondContact O-N 3Å; M142-L144 PolarHBondContact O-N 3.44Å
145	Q	98.1	Very high	96.2	Very high	25 Å²	25	54.2 Å²	54.2	12%	0.117	27%	0.273	C	S	.	.	H	α-helix	trans	-121.8	-22.7	-166.5	-53.9	-152.2	-29.3	0	0	114.9	M52 L61 H141	M52-Q145 VanDerWaalsContact CE-NE2 3.27Å; L61-Q145 HydrophobicContact CD1-CB 4.16Å; L61-Q145 VanDerWaalsContact N-OE1 3.12Å; L61-Q145 PolarHBondContact O-NE2 3.2Å; H141-Q145 WeakPolarHBondContact O-CB 3.44Å; H141-Q145 PolarHBondContact O-N 3.13Å
146	E	98	Very high	96.1	Very high	94 Å²	94	54.1 Å²	54.1	44%	0.439	28%	0.279	S	S	.	.			trans	-94.7	143.5	-178.6	-63.8	-179.6	-146.6	0	0	111	V66 R68 M142 L148	V66-E146 WeakPolarHBondContact CG1-O 3.25Å; R68-E146 PolarHBondContact NH2-O 3.05Å; M142-E146 HydrophobicContact CG-CB 4.4Å; M142-E146 PolarHBondContact O-N 3.47Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 2.71Å
147	Q	97.6	Very high	96	Very high	130 Å²	130	57.3 Å²	57.3	61%	0.607	29%	0.29	S	S	*	.	S	Bend	trans	-66.2	-36.1	-178.2	-71.3	-62.1	-3.5	0	0	112.6	S65 R68	S65-Q147 PolarHBondContact O-NE2 3.28Å; R68-Q147 PolarHBondContact NH1-O 3.28Å
148	L	96	Very high	95.7	Very high	144 Å²	144	59 Å²	59	75%	0.754	30%	0.299	S	S	*	.	S	Bend	trans	-115.5	145.1	179	-61.1	177.4	0	0	0	110.3	E146	E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 2.71Å
149	V	96.6	Very high	94.9	Very high	20 Å²	20	65.9 Å²	65.9	12%	0.121	32%	0.323	C	S	.	.			trans	-91.8	107.7	171.1	-179.6	0	0	0	0	108.4	W75 M142 R151	W75-V149 HydrophobicContact CD2-CG1 3.86Å; W75-V149 HydrophobicContact CE3-CG1 3.6Å; W75-V149 HydrophobicContact CH2-CG1 3.36Å; W75-V149 HydrophobicContact CZ2-CG1 3.59Å; W75-V149 HydrophobicContact CZ3-CG1 3.37Å; W75-V149 HydrophobicContact CZ3-CG2 4.43Å; M142-V149 HydrophobicContact CG-CG1 4.45Å; M142-V149 HydrophobicContact SD-CG1 3.99Å; V149-R151 PolarHBondContact O-N 3.48Å
150	D	96.4	Very high	93.2	Very high	80 Å²	80	73.4 Å²	73.4	43%	0.428	36%	0.362	S	S	.	.			trans	-70.2	109.1	173.1	179.6	12.7	0	0	0	110.3	M142 N152 Y153	M142-D150 HydrophobicContact CE-CB 4.18Å; M142-D150 HydrophobicContact SD-CB 4.14Å; M142-D150 PolarHBondContact SD-N 3.43Å; D150-N152 PolarHBondContact O-N 3.39Å; D150-N152 PolarHBondContact OD1-N 3.08Å; D150-Y153 WeakPolarHBondContact O-CB 3.44Å; D150-Y153 WeakPolarHBondContact O-CD1 3.3Å; D150-Y153 PolarHBondContact O-N 3.32Å; D150-Y153 PolarHBondContact OD2-N 3.29Å
151	R	94.4	Very high	91.1	Very high	100 Å²	100	79.8 Å²	79.8	38%	0.377	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.9	-179.6	-54.6	-51.4	-171.3	130.8	1.8	113.2	D72 V149	D72-R151 IonicContact OD1-CZ 3.66Å; D72-R151 IonicContact OD1-NH2 3.33Å; D72-R151 PolarHBondContact OD1-NH2 3.01Å; V149-R151 PolarHBondContact O-N 3.48Å
152	N	95	Very high	90.8	Very high	145 Å²	145	83.1 Å²	83.1	78%	0.775	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	13.1	178	-57.6	-52.7	0	0	0	112.3	D150	D150-N152 PolarHBondContact O-N 3.39Å; D150-N152 PolarHBondContact OD1-N 3.08Å
153	Y	94.6	Very high	90.4	Very high	26 Å²	26	86.7 Å²	86.7	10%	0.102	44%	0.44	C	S	.	.			trans	-58.4	151.1	179.2	88.3	-66.2	0	0	0	111.4	W75 E79 K138 C139 M142 D150 P155	W75-Y153 AromaticContact CZ2-CD1 3.92Å; W75-Y153 HydrophobicContact CZ2-CD1 3.92Å; W75-Y153 AromaticContact CZ2-CE1 3.56Å; W75-Y153 HydrophobicContact CZ2-CE1 3.56Å; E79-Y153 HydrophobicContact CG-CE1 4.3Å; E79-Y153 WeakPolarHBondContact OE2-CE1 3.44Å; E79-Y153 PolarHBondContact OE2-OH 2.8Å; K138-Y153 HydrophobicContact CB-CE2 4.26Å; C139-Y153 HydrophobicContact CB-CE2 4.24Å; C139-Y153 WeakPolarHBondContact CB-OH 3.46Å; M142-Y153 VanDerWaalsContact CE-CB 3.42Å; M142-Y153 HydrophobicContact CE-CD2 3.82Å; M142-Y153 HydrophobicContact CE-CG 3.68Å; M142-Y153 HydrophobicContact SD-CG 4.23Å; D150-Y153 WeakPolarHBondContact O-CB 3.44Å; D150-Y153 WeakPolarHBondContact O-CD1 3.3Å; D150-Y153 PolarHBondContact O-N 3.32Å; D150-Y153 PolarHBondContact OD2-N 3.29Å; Y153-P155 HydrophobicContact CE2-CB 4.45Å; Y153-P155 VanDerWaalsContact O-CD 3.27Å; Y153-P155 WeakPolarHBondContact O-CD 3.49Å
154	V	93.6	Very high	90	Very high	115 Å²	115	91.6 Å²	91.6	70%	0.697	46%	0.464	S	S	*	.			trans	-82.7	116	173.9	-178.8	0	0	0	0	108.8
155	P	93.5	Very high	89.4	Confident	49 Å²	49	96.9 Å²	96.9	32%	0.318	49%	0.491	S	S	.	.			trans	-57.4	150.7	177.4	-24.3	35.3	0	0	0	111.8	D83 Y153	D83-P155 WeakPolarHBondContact OD2-CB 3.43Å; Y153-P155 HydrophobicContact CE2-CB 4.45Å; Y153-P155 VanDerWaalsContact O-CD 3.27Å; Y153-P155 WeakPolarHBondContact O-CD 3.49Å
156	G	93	Very high	88.9	Confident	23 Å²	23	101.4 Å²	101.4	24%	0.237	52%	0.515	C	S	.	.			trans	157.7	-178.6	176.8	0	0	0	0	0	112.1	K138	K138-G156 VanDerWaalsContact CB-O 3.23Å; K138-G156 WeakPolarHBondContact CB-O 3.35Å; K138-G156 WeakPolarHBondContact CG-O 3.39Å; K138-G156 PolarHBondContact N-O 3.12Å
157	K	91.8	Very high	88.3	Confident	128 Å²	128	101.9 Å²	101.9	56%	0.557	52%	0.52	S	S	*	.	B	Isolated β-bridge	trans	-92.2	152.8	-175.5	-60.5	-174.6	178.1	-176.5	0	112	N136 K138 R159	N136-K157 CarbonylContact O-C 3.59Å; N136-K157 WeakPolarHBondContact O-CA 3.27Å; N136-K157 WeakPolarHBondContact O-CB 3.17Å; K138-K157 WeakPolarHBondContact CE-O 3.46Å; K157-R159 PolarHBondContact O-N 3.02Å
158	I	90.3	Very high	87.6	Confident	44 Å²	44	99.9 Å²	99.9	23%	0.226	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-62.6	120.9	164.3	-58.9	-65.5	0	0	0	107.3	N136 K138 H141	N136-I158 PolarHBondContact O-N 3.44Å; K138-I158 HydrophobicContact CB-CD1 4.49Å; K138-I158 HydrophobicContact CG-CD1 3.92Å; H141-I158 HydrophobicContact CB-CD1 3.93Å; H141-I158 VanDerWaalsContact CD2-CD1 3.49Å; H141-I158 WeakPolarHBondContact CD2-CD1 3.47Å; H141-I158 WeakPolarHBondContact CD2-CG1 3.42Å; H141-I158 WeakPolarHBondContact NE2-CG1 3.14Å
159	R	78.9	Confident	87	Confident	232 Å²	232	96.5 Å²	96.5	88%	0.875	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-82	133.9	163.7	-62.3	-178.6	178.4	-173.3	-1.2	105	K157	K157-R159 PolarHBondContact O-N 3.02Å
160	N	61	Low	86.2	Confident	159 Å²	159	102.9 Å²	102.9	85%	0.85	53%	0.526	S	S	*	.			trans	-29.4	128.9	-174.1	-80.6	-11.3	0	0	0	112.7
161	P	51.9	Low	85.3	Confident	134 Å²	134	105 Å²	105	87%	0.87	54%	0.535	S	S	*	.			trans	-61	0	-177.3	24	-30.6	0	0	0	113.2	P57	P57-P161 WeakPolarHBondContact O-CG 3.16Å

Retrieved 161 of 161 residues in 587.4 ms (Link to these results)

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