A0A077ZQQ9_TRITR Loading...

Cathepsin B

AlphaFold DB , UniProt , Accession A0A077ZQQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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	57	Low	81.4	Confident	249 Å²	249	98.2 Å²	98.2	100%	1.227	53%	0.529	S	S	*	.				0	121.6	0	-81.9	173.5	177.2	0	0	107.6
2	G	78.2	Confident	82.1	Confident	79 Å²	79	99.4 Å²	99.4	81%	0.814	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-82.1	162.3	179.9	0	0	0	0	0	112.3
3	K	79	Confident	82.6	Confident	120 Å²	120	91.9 Å²	91.9	52%	0.522	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-69.7	142.9	169.4	-72.4	-177.6	-178.4	-76.5	0	110	D7 I8	K3-D7 HydrophobicContact CB-CB 4.09Å; K3-D7 HydrophobicContact CG-CB 4.44Å; K3-I8 HydrophobicContact CB-CG1 4.23Å
4	S	85.4	Confident	83	Confident	48 Å²	48	93.6 Å²	93.6	34%	0.336	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-75.9	164.4	171.8	68.3	0	0	0	0	111.4	S6 D7 I8	S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact OG-OG 3.14Å; S4-D7 WeakPolarHBondContact CB-OD2 3.47Å; S4-D7 PolarHBondContact N-OD2 3.22Å; S4-D7 PolarHBondContact O-N 2.69Å; S4-D7 VanDerWaalsContact O-N 3.1Å; S4-D7 PolarHBondContact OG-N 3.39Å; S4-D7 PolarHBondContact OG-OD1 3.03Å; S4-D7 PolarHBondContact OG-OD2 3Å; S4-I8 WeakPolarHBondContact O-CG1 3.23Å; S4-I8 PolarHBondContact O-N 3.18Å; S4-I8 VanDerWaalsContact O-N 3.08Å
5	L	85.8	Confident	82.7	Confident	130 Å²	130	89.4 Å²	89.4	68%	0.681	47%	0.472	S	S	*	.	H	α-helix	trans	-58.9	-35	173.2	-75.2	173	0	0	0	112.3	I8 R9	L5-I8 PolarHBondContact O-N 3.48Å; L5-R9 WeakPolarHBondContact O-CG 3.33Å; L5-R9 PolarHBondContact O-N 2.9Å
6	S	84.2	Confident	81.9	Confident	68 Å²	68	93.8 Å²	93.8	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-41.1	173.8	40	0	0	0	0	112	S4 I8 R9 N10	S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact OG-OG 3.14Å; S6-I8 VanDerWaalsContact C-N 3.28Å; S6-I8 PolarHBondContact O-N 3.14Å; S6-R9 PolarHBondContact O-N 3.27Å; S6-N10 PolarHBondContact O-N 2.96Å; S6-N10 PolarHBondContact O-OD1 3.09Å
7	D	83	Confident	81.2	Confident	36 Å²	36	97.8 Å²	97.8	19%	0.193	51%	0.51	C	S	.	.	H	α-helix	trans	-65.6	-34.9	178.2	-54	-33.1	0	0	0	111.4	K3 S4	K3-D7 HydrophobicContact CB-CB 4.09Å; K3-D7 HydrophobicContact CG-CB 4.44Å; S4-D7 WeakPolarHBondContact CB-OD2 3.47Å; S4-D7 PolarHBondContact N-OD2 3.22Å; S4-D7 PolarHBondContact O-N 2.69Å; S4-D7 VanDerWaalsContact O-N 3.1Å; S4-D7 PolarHBondContact OG-N 3.39Å; S4-D7 PolarHBondContact OG-OD1 3.03Å; S4-D7 PolarHBondContact OG-OD2 3Å
8	I	85.3	Confident	80.8	Confident	80 Å²	80	98.5 Å²	98.5	41%	0.41	52%	0.522	S	S	.	.	H	α-helix	trans	-70.1	-41.4	175.9	-65.2	170	0	0	0	110.7	K3 S4 L5 S6 N10 L11	K3-I8 HydrophobicContact CB-CG1 4.23Å; S4-I8 WeakPolarHBondContact O-CG1 3.23Å; S4-I8 PolarHBondContact O-N 3.18Å; S4-I8 VanDerWaalsContact O-N 3.08Å; L5-I8 PolarHBondContact O-N 3.48Å; S6-I8 VanDerWaalsContact C-N 3.28Å; S6-I8 PolarHBondContact O-N 3.14Å; I8-N10 VanDerWaalsContact C-N 3.27Å; I8-N10 PolarHBondContact O-N 2.74Å; I8-L11 WeakPolarHBondContact O-CB 3.45Å; I8-L11 PolarHBondContact O-N 3.45Å
9	R	85.9	Confident	80.2	Confident	178 Å²	178	95.4 Å²	95.4	67%	0.672	51%	0.511	S	S	*	.	H	α-helix	trans	-60.1	-35.7	178.5	-78.4	176.1	178.2	170.8	-0.6	112.6	L5 S6 L11 L12	L5-R9 WeakPolarHBondContact O-CG 3.33Å; L5-R9 PolarHBondContact O-N 2.9Å; S6-R9 PolarHBondContact O-N 3.27Å; R9-L11 PolarHBondContact O-N 3.21Å; R9-L11 VanDerWaalsContact O-N 3.16Å; R9-L12 WeakPolarHBondContact O-CB 2.75Å; R9-L12 PolarHBondContact O-N 2.68Å
10	N	84.2	Confident	80.2	Confident	33 Å²	33	94 Å²	94	18%	0.176	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.3	176.9	-64	-11.1	0	0	0	113.4	S6 I8 L12 N67 C68 G69 G154 N155	S6-N10 PolarHBondContact O-N 2.96Å; S6-N10 PolarHBondContact O-OD1 3.09Å; I8-N10 VanDerWaalsContact C-N 3.27Å; I8-N10 PolarHBondContact O-N 2.74Å; N10-L12 VanDerWaalsContact C-N 3.32Å; N10-N67 PolarHBondContact ND2-OD1 2.93Å; N10-C68 CarbonylContact O-C 3.44Å; N10-G69 VanDerWaalsContact O-CA 3.23Å; N10-G69 WeakPolarHBondContact O-CA 3.27Å; N10-G69 PolarHBondContact O-N 2.98Å; N10-G154 PolarHBondContact ND2-O 3.37Å; N10-N155 PolarHBondContact ND2-N 2.78Å
11	L	87.3	Confident	80.2	Confident	59 Å²	59	95.4 Å²	95.4	31%	0.309	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.1	173.9	-54.9	177.7	0	0	0	112.2	I8 R9 G13 Q65 S66	I8-L11 WeakPolarHBondContact O-CB 3.45Å; I8-L11 PolarHBondContact O-N 3.45Å; R9-L11 PolarHBondContact O-N 3.21Å; R9-L11 VanDerWaalsContact O-N 3.16Å; L11-G13 PolarHBondContact O-N 3.27Å; L11-Q65 PolarHBondContact O-NE2 3.43Å; L11-Q65 VanDerWaalsContact O-NE2 3.1Å; L11-S66 WeakPolarHBondContact CD2-O 3.05Å
12	L	90.2	Very high	81.2	Confident	113 Å²	113	87.4 Å²	87.4	59%	0.592	48%	0.478	S	S	*	.			trans	-97.2	83.5	-176.8	-55.4	-179.7	0	0	0	110.7	R9 N10	R9-L12 WeakPolarHBondContact O-CB 2.75Å; R9-L12 PolarHBondContact O-N 2.68Å; N10-L12 VanDerWaalsContact C-N 3.32Å
13	G	88.6	Confident	81	Confident	2 Å²	2	85.9 Å²	85.9	2%	0.021	45%	0.452	C	S	.	.			trans	-87.9	0.7	178.4	0	0	0	0	0	116.1	L11 G69 C71 G114 G115	L11-G13 PolarHBondContact O-N 3.27Å; G13-G69 WeakPolarHBondContact CA-O 3.1Å; G13-C71 VanDerWaalsContact CA-SG 3.55Å; G13-C71 PolarHBondContact N-SG 2.92Å; G13-G114 CarbonylContact O-C 3.31Å; G13-G114 VanDerWaalsContact O-C 3.31Å; G13-G114 WeakPolarHBondContact O-CA 3.28Å; G13-G115 PolarHBondContact O-N 3.37Å
14	Y	87.9	Confident	80.7	Confident	115 Å²	115	86.7 Å²	86.7	45%	0.451	45%	0.451	S	S	.	.	S	Bend	trans	-97.4	123.5	177.9	-175.7	-103.1	0	0	0	109.3	L16 P117	Y14-L16 PolarHBondContact O-N 2.8Å; Y14-P117 HydrophobicContact CD2-CG 4.16Å; Y14-P117 HydrophobicContact CE2-CG 4.34Å
15	P	78.4	Confident	80.2	Confident	31 Å²	31	88.6 Å²	88.6	20%	0.201	46%	0.461	C	S	.	.			trans	-55.6	130.3	177	-27.2	36.7	0	0	0	111.3	E17 G115 Y116	P15-E17 VanDerWaalsContact C-N 3.26Å; P15-G115 VanDerWaalsContact CD-O 3.24Å; P15-G115 WeakPolarHBondContact CD-O 3.23Å; P15-Y116 HydrophobicContact CB-CE1 4.14Å; P15-Y116 HydrophobicContact CG-CD1 4.36Å; P15-Y116 HydrophobicContact CG-CE1 3.73Å; P15-Y116 HydrophobicContact CG-CE2 4.32Å
16	L	69.6	Low	79.8	Confident	159 Å²	159	85.8 Å²	85.8	83%	0.832	45%	0.445	S	S	*	.			trans	-82.5	-4.6	178.7	-66.2	177.9	0	0	0	113.1	Y14	Y14-L16 PolarHBondContact O-N 2.8Å
17	E	71.4	Confident	79.4	Confident	162 Å²	162	85.3 Å²	85.3	76%	0.757	43%	0.434	S	S	*	.	S	Bend	trans	-63.9	135.5	177.1	-64.7	-166.6	174.2	0	0	109.8	P15 A19	P15-E17 VanDerWaalsContact C-N 3.26Å; E17-A19 PolarHBondContact O-N 3.02Å
18	P	72.4	Confident	78.7	Confident	111 Å²	111	87.7 Å²	87.7	72%	0.721	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-54.1	130.1	175.5	-21.8	31.1	0	0	0	109.8	T20	P18-T20 PolarHBondContact O-N 3.43Å; P18-T20 VanDerWaalsContact O-N 3.16Å
19	A	70.6	Confident	77.7	Confident	39 Å²	39	88.6 Å²	88.6	32%	0.322	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-51.2	125.1	172.4	0	0	0	0	0	109.2	E17 D23 R24	E17-A19 PolarHBondContact O-N 3.02Å; A19-D23 HydrophobicContact CB-CB 4Å; A19-R24 HydrophobicContact CB-CG 4.15Å; A19-R24 PolarHBondContact O-NH2 3.27Å
20	T	79.2	Confident	76.5	Confident	68 Å²	68	85 Å²	85	42%	0.417	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-66.2	164.7	175.1	64.3	0	0	0	0	109.6	P18 S22 D23 R24	P18-T20 PolarHBondContact O-N 3.43Å; P18-T20 VanDerWaalsContact O-N 3.16Å; T20-S22 PolarHBondContact O-N 2.03Å; T20-S22 PolarHBondContact OG1-OG 3.04Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 PolarHBondContact N-OD2 2.9Å; T20-D23 PolarHBondContact O-N 3.29Å; T20-D23 PolarHBondContact OG1-N 3.19Å; T20-D23 VanDerWaalsContact OG1-N 3.14Å; T20-D23 PolarHBondContact OG1-OD2 3.38Å; T20-R24 WeakPolarHBondContact O-CG 3.41Å; T20-R24 PolarHBondContact O-N 3.21Å
21	E	79.8	Confident	75.4	Confident	124 Å²	124	90 Å²	90	58%	0.579	48%	0.48	S	S	*	.	H	α-helix	trans	-58.6	-35.2	174.6	-166.5	59.7	-160.2	0	0	111.8	R24 T25	E21-R24 PolarHBondContact O-N 3.03Å; E21-R24 IonicContact OE2-NH1 2.89Å; E21-R24 PolarHBondContact OE2-NH1 3.47Å; E21-T25 PolarHBondContact O-N 3.17Å; E21-T25 VanDerWaalsContact O-N 3.09Å; E21-T25 PolarHBondContact O-OG1 3.49Å
22	S	79.2	Confident	74	Confident	80 Å²	80	94 Å²	94	56%	0.559	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-36.5	172.4	43.5	0	0	0	0	113.1	T20 E26	T20-S22 PolarHBondContact O-N 2.03Å; T20-S22 PolarHBondContact OG1-OG 3.04Å; S22-E26 WeakPolarHBondContact O-CB 3.29Å; S22-E26 PolarHBondContact O-N 2.91Å
23	D	74.5	Confident	72.3	Confident	48 Å²	48	98.1 Å²	98.1	26%	0.257	51%	0.506	S	S	.	.	H	α-helix	trans	-69.8	-35.2	177	-59.7	-47.2	0	0	0	111.5	A19 T20 R119	A19-D23 HydrophobicContact CB-CB 4Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 PolarHBondContact N-OD2 2.9Å; T20-D23 PolarHBondContact O-N 3.29Å; T20-D23 PolarHBondContact OG1-N 3.19Å; T20-D23 VanDerWaalsContact OG1-N 3.14Å; T20-D23 PolarHBondContact OG1-OD2 3.38Å; D23-R119 IonicContact OD1-NH2 3.1Å
24	R	70.8	Confident	70.6	Confident	136 Å²	136	101 Å²	101	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-69.6	-36.1	178.7	-68.6	178	-175.5	149.3	1.8	112.7	A19 T20 E21	A19-R24 HydrophobicContact CB-CG 4.15Å; A19-R24 PolarHBondContact O-NH2 3.27Å; T20-R24 WeakPolarHBondContact O-CG 3.41Å; T20-R24 PolarHBondContact O-N 3.21Å; E21-R24 PolarHBondContact O-N 3.03Å; E21-R24 IonicContact OE2-NH1 2.89Å; E21-R24 PolarHBondContact OE2-NH1 3.47Å
25	T	75.3	Confident	68.9	Low	88 Å²	88	100.3 Å²	100.3	54%	0.54	55%	0.548	S	S	.	.	H	α-helix	trans	-95.7	0.5	-178.8	56.1	0	0	0	0	113.1	E21 F27	E21-T25 PolarHBondContact O-N 3.17Å; E21-T25 VanDerWaalsContact O-N 3.09Å; E21-T25 PolarHBondContact O-OG1 3.49Å; T25-F27 PolarHBondContact O-N 2.73Å
26	E	77.9	Confident	67.9	Low	72 Å²	72	107.6 Å²	107.6	34%	0.336	58%	0.579	S	S	.	*	S	Bend	trans	-61.1	-29.2	177.5	-170.6	176.3	166.8	0	0	111.7	S22 R119	S22-E26 WeakPolarHBondContact O-CB 3.29Å; S22-E26 PolarHBondContact O-N 2.91Å; E26-R119 WeakPolarHBondContact OE1-CG 3.41Å; E26-R119 IonicContact OE1-CZ 3.38Å; E26-R119 IonicContact OE1-NE 3.34Å; E26-R119 PolarHBondContact OE1-NE 2.98Å; E26-R119 IonicContact OE1-NH2 3.52Å; E26-R119 IonicContact OE2-CZ 3.79Å; E26-R119 IonicContact OE2-NE 2.9Å; E26-R119 PolarHBondContact OE2-NE 3.27Å; E26-R119 VanDerWaalsContact OE2-NE 3.1Å; E26-R119 IonicContact OE2-NH2 3.81Å; E26-R119 PolarHBondContact OE2-NH2 3.01Å
27	F	75.4	Confident	67.3	Low	58 Å²	58	104.8 Å²	104.8	25%	0.254	57%	0.573	S	S	.	*	S	Bend	trans	-120.7	140	-178.6	-62.9	-80.2	0	0	0	110.8	T25 H29 P118 R119 L122	T25-F27 PolarHBondContact O-N 2.73Å; F27-H29 PolarHBondContact O-N 3.25Å; F27-P118 HydrophobicContact CD2-CB 3.67Å; F27-P118 HydrophobicContact CE2-CB 3.21Å; F27-P118 HydrophobicContact CE2-CG 4.47Å; F27-P118 VanDerWaalsContact CZ-C 3.47Å; F27-P118 HydrophobicContact CZ-CB 3.72Å; F27-P118 WeakPolarHBondContact CZ-O 3.43Å; F27-R119 HydrophobicContact CZ-CG 4.32Å; F27-L122 HydrophobicContact CE1-CB 3.81Å; F27-L122 HydrophobicContact CE1-CD1 4.33Å; F27-L122 HydrophobicContact CE1-CD2 4.13Å; F27-L122 HydrophobicContact CE1-CG 4.3Å; F27-L122 HydrophobicContact CZ-CB 4.05Å; F27-L122 HydrophobicContact CZ-CD2 4.16Å
28	P	68.4	Low	66.8	Low	85 Å²	85	100.7 Å²	100.7	55%	0.552	56%	0.562	S	S	*	*			trans	-59.5	132.2	176.7	23.7	-31.6	0	0	0	110.1
29	H	64.1	Low	66.7	Low	100 Å²	100	107 Å²	107	46%	0.463	57%	0.571	S	S	.	*			trans	-70.4	141.2	176.3	-87.9	-68	0	0	0	109.6	F27 D31 E32	F27-H29 PolarHBondContact O-N 3.25Å; H29-D31 PolarHBondContact O-N 2.65Å; H29-E32 WeakPolarHBondContact O-CB 3.34Å; H29-E32 PolarHBondContact O-N 3.28Å
30	P	60.4	Low	67.1	Low	101 Å²	101	110.9 Å²	110.9	66%	0.656	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-52.2	-31.9	175.6	-27.1	34.8	0	0	0	113.1	E32 Y33	P30-E32 PolarHBondContact O-N 3.06Å; P30-Y33 PolarHBondContact O-N 2.91Å
31	D	61.2	Low	67.5	Low	139 Å²	139	116.6 Å²	116.6	74%	0.743	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-64.8	-20.8	178.8	-56.8	-16	0	0	0	113.4	H29	H29-D31 PolarHBondContact O-N 2.65Å
32	E	58.6	Low	68	Low	144 Å²	144	117.7 Å²	117.7	67%	0.673	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-79.4	-25	173.6	-68.5	-175.9	144.6	0	0	112.5	H29 P30 G34	H29-E32 WeakPolarHBondContact O-CB 3.34Å; H29-E32 PolarHBondContact O-N 3.28Å; P30-E32 PolarHBondContact O-N 3.06Å; E32-G34 PolarHBondContact O-N 2.87Å
33	Y	55.1	Low	68.7	Low	198 Å²	198	117.7 Å²	117.7	78%	0.776	62%	0.615	S	S	*	*	S	Bend	trans	-84.4	73.6	170.1	-93.9	-94.2	0	0	0	108.7	P30	P30-Y33 PolarHBondContact O-N 2.91Å
34	G	52.1	Low	69.7	Low	62 Å²	62	124.5 Å²	124.5	64%	0.639	65%	0.645	S	S	*	*			trans	18.3	102.7	170.1	0	0	0	0	0	114.8	E32 E36	E32-G34 PolarHBondContact O-N 2.87Å; G34-E36 PolarHBondContact O-N 2.84Å
35	S	53.3	Low	71	Confident	102 Å²	102	125.6 Å²	125.6	71%	0.713	66%	0.656	S	S	*	*			trans	-60.7	80.5	179.7	57.6	0	0	0	0	112.8	S37	S35-S37 PolarHBondContact O-N 3Å
36	E	56.6	Low	72	Confident	184 Å²	184	126.8 Å²	126.8	86%	0.86	65%	0.654	S	S	*	*			trans	-72	50.9	144.3	-83.2	-163.7	154.9	0	0	109.2	G34 S38	G34-E36 PolarHBondContact O-N 2.84Å; E36-S38 PolarHBondContact O-N 2.93Å
37	S	57.4	Low	73	Confident	100 Å²	100	125.1 Å²	125.1	70%	0.699	65%	0.647	S	S	*	*			trans	-70.3	65.6	149	173.2	0	0	0	0	106.7	S35	S35-S37 PolarHBondContact O-N 3Å
38	S	61.4	Low	74	Confident	75 Å²	75	124.5 Å²	124.5	52%	0.524	65%	0.65	S	S	.	*			trans	-49.9	144.9	151.1	59	0	0	0	0	107	E36 I40	E36-S38 PolarHBondContact O-N 2.93Å; S38-I40 PolarHBondContact O-N 3.43Å
39	R	69.6	Low	75.5	Confident	243 Å²	243	126.2 Å²	126.2	92%	0.917	65%	0.645	S	S	*	*			trans	-66.3	70.6	-176.2	-63.5	176.9	-176.6	166.5	0	110.7	E41	R39-E41 PolarHBondContact O-N 3.18Å
40	I	78.9	Confident	77.1	Confident	121 Å²	121	129 Å²	129	62%	0.621	66%	0.656	S	S	*	*			trans	-71.3	112.5	175.5	-61.1	172.3	0	0	0	105.9	S38 L42	S38-I40 PolarHBondContact O-N 3.43Å; I40-L42 HydrophobicContact CG2-CD2 4.32Å; I40-L42 PolarHBondContact O-N 3.09Å
41	E	87.2	Confident	78.8	Confident	188 Å²	188	128.2 Å²	128.2	88%	0.879	65%	0.646	S	S	*	*			trans	-67.3	111.1	169.1	-69	-175.5	175.8	0	0	108.2	R39	R39-E41 PolarHBondContact O-N 3.18Å
42	L	89.9	Confident	80.6	Confident	148 Å²	148	125.6 Å²	125.6	78%	0.775	63%	0.626	S	S	*	*			trans	-76	139	177.6	-63.3	177	0	0	0	109.8	I40	I40-L42 HydrophobicContact CG2-CD2 4.32Å; I40-L42 PolarHBondContact O-N 3.09Å
43	P	94.3	Very high	82.4	Confident	80 Å²	80	123.1 Å²	123.1	52%	0.519	62%	0.622	S	S	.	*			trans	-69.3	150	177.5	30.8	-35.7	0	0	0	110.9	Q45 F46	P43-Q45 PolarHBondContact O-N 3.03Å; P43-F46 HydrophobicContact CG-CB 4.34Å; P43-F46 HydrophobicContact CG-CD2 4.19Å
44	E	96.1	Very high	84.5	Confident	191 Å²	191	117.8 Å²	117.8	89%	0.893	61%	0.61	S	S	*	*	S	Bend	trans	-61.2	-30.3	174.7	-172.7	-176.9	179.4	0	0	112.2
45	Q	97.4	Very high	86.7	Confident	158 Å²	158	114.9 Å²	114.9	74%	0.738	58%	0.58	S	S	*	*			trans	-131.5	134.7	178.3	-63.7	179.2	42.9	0	0	110.4	P43	P43-Q45 PolarHBondContact O-N 3.03Å
46	F	96.9	Very high	88.8	Confident	114 Å²	114	115.2 Å²	115.2	50%	0.5	57%	0.569	S	S	.	*			trans	-137.1	131	177.3	-173	-91.8	0	0	0	110.3	P43 N51 W52	P43-F46 HydrophobicContact CG-CB 4.34Å; P43-F46 HydrophobicContact CG-CD2 4.19Å; F46-N51 WeakPolarHBondContact CD2-ND2 3.46Å; F46-N51 HydrophobicContact CE2-CB 4.08Å; F46-N51 VanDerWaalsContact CE2-CG 3.41Å; F46-N51 WeakPolarHBondContact CE2-ND2 3.4Å; F46-N51 HydrophobicContact CZ-CB 4.04Å; F46-W52 HydrophobicContact CE1-CH2 4.29Å; F46-W52 AromaticContact CE1-CZ3 3.9Å; F46-W52 HydrophobicContact CE1-CZ3 3.9Å; F46-W52 AromaticContact CZ-CH2 3.56Å; F46-W52 HydrophobicContact CZ-CH2 3.56Å; F46-W52 AromaticContact CZ-CZ3 3.47Å; F46-W52 HydrophobicContact CZ-CZ3 3.47Å; F46-W52 VanDerWaalsContact CZ-CZ3 3.47Å
47	D	98.1	Very high	90.8	Very high	36 Å²	36	112.8 Å²	112.8	19%	0.193	56%	0.562	C	S	.	*			trans	-135	114.3	174.1	-175.2	-21	0	0	0	108.4	R49 K50 N51	D47-R49 PolarHBondContact O-N 3.25Å; D47-R49 VanDerWaalsContact OD1-CB 3.28Å; D47-R49 WeakPolarHBondContact OD1-CB 3.22Å; D47-R49 IonicContact OD1-CZ 3.96Å; D47-R49 PolarHBondContact OD1-N 3.28Å; D47-R49 IonicContact OD1-NE 3.57Å; D47-R49 PolarHBondContact OD1-NE 3.49Å; D47-R49 IonicContact OD1-NH2 3.67Å; D47-R49 IonicContact OD2-CZ 2.66Å; D47-R49 IonicContact OD2-NE 2.74Å; D47-R49 PolarHBondContact OD2-NE 3.04Å; D47-R49 IonicContact OD2-NH2 3.45Å; D47-R49 PolarHBondContact OD2-NH2 2.83Å; D47-K50 HydrophobicContact CB-CB 4.24Å; D47-K50 HydrophobicContact CB-CD 4.02Å; D47-K50 HydrophobicContact CB-CG 3.97Å; D47-K50 PolarHBondContact O-N 2.66Å; D47-N51 PolarHBondContact O-N 3.12Å; D47-N51 PolarHBondContact O-ND2 3.11Å
48	S	97.9	Very high	92.7	Very high	45 Å²	45	108.7 Å²	108.7	32%	0.315	53%	0.532	S	S	.	.	H	α-helix	trans	-55.3	-34.4	-179.8	-58.8	0	0	0	0	112.4	K50 N51 W52	S48-K50 PolarHBondContact O-N 3.5Å; S48-N51 PolarHBondContact O-N 3.23Å; S48-W52 PolarHBondContact O-N 2.96Å
49	R	98	Very high	94.5	Very high	121 Å²	121	106.3 Å²	106.3	46%	0.457	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-25.8	-179.7	-57.8	166.6	-64	-173.8	2.5	112.4	D47 K56 I59 S60	D47-R49 PolarHBondContact O-N 3.25Å; D47-R49 VanDerWaalsContact OD1-CB 3.28Å; D47-R49 WeakPolarHBondContact OD1-CB 3.22Å; D47-R49 IonicContact OD1-CZ 3.96Å; D47-R49 PolarHBondContact OD1-N 3.28Å; D47-R49 IonicContact OD1-NE 3.57Å; D47-R49 PolarHBondContact OD1-NE 3.49Å; D47-R49 IonicContact OD1-NH2 3.67Å; D47-R49 IonicContact OD2-CZ 2.66Å; D47-R49 IonicContact OD2-NE 2.74Å; D47-R49 PolarHBondContact OD2-NE 3.04Å; D47-R49 IonicContact OD2-NH2 3.45Å; D47-R49 PolarHBondContact OD2-NH2 2.83Å; R49-K56 HydrophobicContact CB-CG 4.36Å; R49-I59 HydrophobicContact CG-CB 4.21Å; R49-I59 HydrophobicContact CG-CG2 3.55Å; R49-S60 VanDerWaalsContact CD-OG 3.31Å; R49-S60 WeakPolarHBondContact CD-OG 3.25Å
50	K	98	Very high	95.8	Very high	159 Å²	159	96.9 Å²	96.9	69%	0.691	49%	0.485	S	S	*	.	H	α-helix	trans	-87.1	-34.3	175.5	-62.2	-176.5	-174	175.4	0	111.9	D47 S48	D47-K50 HydrophobicContact CB-CB 4.24Å; D47-K50 HydrophobicContact CB-CD 4.02Å; D47-K50 HydrophobicContact CB-CG 3.97Å; D47-K50 PolarHBondContact O-N 2.66Å; S48-K50 PolarHBondContact O-N 3.5Å
51	N	97.1	Very high	96.7	Very high	84 Å²	84	93.7 Å²	93.7	45%	0.449	47%	0.467	S	S	.	.	H	α-helix	trans	-79.5	-27.9	-178.2	-74.7	-81.3	0	0	0	113.3	F46 D47 S48 P53	F46-N51 WeakPolarHBondContact CD2-ND2 3.46Å; F46-N51 HydrophobicContact CE2-CB 4.08Å; F46-N51 VanDerWaalsContact CE2-CG 3.41Å; F46-N51 WeakPolarHBondContact CE2-ND2 3.4Å; F46-N51 HydrophobicContact CZ-CB 4.04Å; D47-N51 PolarHBondContact O-N 3.12Å; D47-N51 PolarHBondContact O-ND2 3.11Å; S48-N51 PolarHBondContact O-N 3.23Å; N51-P53 VanDerWaalsContact C-CD 3.48Å; N51-P53 WeakPolarHBondContact O-CD 3.5Å
52	W	97.8	Very high	97.2	Very high	85 Å²	85	91.9 Å²	91.9	32%	0.322	46%	0.462	S	S	.	.			trans	-124.4	70	174.8	-62	-79.8	0	0	0	111.2	F46 S48 V54 C55 K56 I59 I86	F46-W52 HydrophobicContact CE1-CH2 4.29Å; F46-W52 AromaticContact CE1-CZ3 3.9Å; F46-W52 HydrophobicContact CE1-CZ3 3.9Å; F46-W52 AromaticContact CZ-CH2 3.56Å; F46-W52 HydrophobicContact CZ-CH2 3.56Å; F46-W52 AromaticContact CZ-CZ3 3.47Å; F46-W52 HydrophobicContact CZ-CZ3 3.47Å; F46-W52 VanDerWaalsContact CZ-CZ3 3.47Å; S48-W52 PolarHBondContact O-N 2.96Å; W52-V54 PolarHBondContact O-N 3.2Å; W52-C55 HydrophobicContact CB-CB 4.15Å; W52-C55 CarbonylContact O-C 3.5Å; W52-C55 WeakPolarHBondContact O-CA 3.21Å; W52-C55 PolarHBondContact O-N 3.22Å; W52-K56 PolarHBondContact O-N 2.89Å; W52-I59 HydrophobicContact CB-CD1 3.98Å; W52-I86 HydrophobicContact CB-CG1 4.09Å; W52-I86 HydrophobicContact CD2-CD1 3.76Å; W52-I86 HydrophobicContact CD2-CG1 3.87Å; W52-I86 HydrophobicContact CD2-CG2 4.26Å; W52-I86 HydrophobicContact CE3-CD1 3.82Å; W52-I86 HydrophobicContact CE3-CG1 4.39Å; W52-I86 HydrophobicContact CG-CD1 4.12Å; W52-I86 HydrophobicContact CG-CG1 3.69Å; W52-I86 HydrophobicContact CG-CG2 4.26Å; W52-I86 HydrophobicContact CZ2-CG2 4.25Å; W52-I86 HydrophobicContact CZ3-CD1 4.23Å
53	P	98	Very high	97.4	Very high	91 Å²	91	86.2 Å²	86.2	59%	0.591	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-61.5	-30.2	-174.9	24.5	-34.2	0	0	0	113	N51 C55 K56	N51-P53 VanDerWaalsContact C-CD 3.48Å; N51-P53 WeakPolarHBondContact O-CD 3.5Å; P53-C55 PolarHBondContact O-N 3.31Å; P53-K56 WeakPolarHBondContact O-CB 3.35Å; P53-K56 PolarHBondContact O-N 2.84Å
54	V	98.1	Very high	97.4	Very high	86 Å²	86	86.3 Å²	86.3	52%	0.521	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-64.8	-23.9	174.6	71.7	0	0	0	0	112.8	W52	W52-V54 PolarHBondContact O-N 3.2Å
55	C	98.2	Very high	97.4	Very high	1 Å²	1	79 Å²	79	1%	0.007	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-105.4	9.4	178.2	-65.1	0	0	0	0	113	W52 P53 D57 I58 I59 C85 I86	W52-C55 HydrophobicContact CB-CB 4.15Å; W52-C55 CarbonylContact O-C 3.5Å; W52-C55 WeakPolarHBondContact O-CA 3.21Å; W52-C55 PolarHBondContact O-N 3.22Å; P53-C55 PolarHBondContact O-N 3.31Å; C55-D57 VanDerWaalsContact C-N 3.26Å; C55-D57 PolarHBondContact O-N 3.34Å; C55-I58 PolarHBondContact O-N 2.98Å; C55-I58 VanDerWaalsContact O-N 3.12Å; C55-I59 HydrophobicContact CB-CD1 3.75Å; C55-I59 HydrophobicContact CB-CG1 4.28Å; C55-I59 WeakPolarHBondContact O-CG1 3.45Å; C55-I59 PolarHBondContact O-N 2.92Å; C55-C85 WeakPolarHBondContact CA-SG 3.16Å; C55-C85 HydrophobicContact CB-CB 3.8Å; C55-C85 WeakPolarHBondContact CB-SG 3.41Å; C55-C85 WeakPolarHBondContact SG-CB 3.27Å; C55-C85 PolarHBondContact SG-O 3.29Å; C55-C85 VanDerWaalsContact SG-O 3.38Å; C55-C85 CovalentContact SG-SG 2.03Å; C55-C85 PolarHBondContact SG-SG 3.36Å; C55-I86 HydrophobicContact CB-CG1 4.46Å; C55-I86 PolarHBondContact SG-N 2.66Å
56	K	98.3	Very high	97.2	Very high	109 Å²	109	71.7 Å²	71.7	47%	0.474	36%	0.359	S	S	.	.	H	α-helix	trans	-56.1	-40.7	-173.4	178.1	-179.2	174	-169.8	0	112.4	R49 W52 P53 I58 I59 S60	R49-K56 HydrophobicContact CB-CG 4.36Å; W52-K56 PolarHBondContact O-N 2.89Å; P53-K56 WeakPolarHBondContact O-CB 3.35Å; P53-K56 PolarHBondContact O-N 2.84Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I59 PolarHBondContact O-N 2.89Å; K56-S60 WeakPolarHBondContact O-CB 3.2Å; K56-S60 PolarHBondContact O-N 2.89Å; K56-S60 PolarHBondContact O-OG 2.7Å
57	D	97.9	Very high	96.9	Very high	134 Å²	134	67 Å²	67	72%	0.717	34%	0.339	S	S	*	.	H	α-helix	trans	-70.2	-31.7	-177.3	-66.3	-20.8	0	0	0	112.4	C55	C55-D57 VanDerWaalsContact C-N 3.26Å; C55-D57 PolarHBondContact O-N 3.34Å
58	I	98	Very high	96.7	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-71.7	-52.4	172.8	-55.7	-60.3	0	0	0	109.9	C55 K56 S60 H61 C85 A93 F95	C55-I58 PolarHBondContact O-N 2.98Å; C55-I58 VanDerWaalsContact O-N 3.12Å; K56-I58 VanDerWaalsContact C-N 3.34Å; I58-S60 VanDerWaalsContact C-N 3.27Å; I58-S60 PolarHBondContact O-N 3.35Å; I58-H61 WeakPolarHBondContact O-CB 2.95Å; I58-H61 PolarHBondContact O-N 2.85Å; I58-H61 VanDerWaalsContact O-N 3.13Å; I58-C85 HydrophobicContact CG1-CB 4.38Å; I58-A93 HydrophobicContact CD1-CB 4.24Å; I58-A93 HydrophobicContact CG1-CB 3.96Å; I58-F95 HydrophobicContact CB-CE1 4.49Å; I58-F95 HydrophobicContact CD1-CD1 4.23Å; I58-F95 HydrophobicContact CD1-CE1 3.78Å; I58-F95 HydrophobicContact CD1-CE2 4.38Å; I58-F95 HydrophobicContact CD1-CZ 3.86Å; I58-F95 HydrophobicContact CG2-CD1 4.44Å; I58-F95 HydrophobicContact CG2-CE1 4.18Å
59	I	98.4	Very high	96.5	Very high	24 Å²	24	63.2 Å²	63.2	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-33.1	-177.1	-62.8	160.4	0	0	0	112	R49 W52 C55 K56 H61 D82 I86	R49-I59 HydrophobicContact CG-CB 4.21Å; R49-I59 HydrophobicContact CG-CG2 3.55Å; W52-I59 HydrophobicContact CB-CD1 3.98Å; C55-I59 HydrophobicContact CB-CD1 3.75Å; C55-I59 HydrophobicContact CB-CG1 4.28Å; C55-I59 WeakPolarHBondContact O-CG1 3.45Å; C55-I59 PolarHBondContact O-N 2.92Å; K56-I59 PolarHBondContact O-N 2.89Å; I59-H61 VanDerWaalsContact C-N 3.31Å; I59-D82 WeakPolarHBondContact CA-OD1 3.39Å; I59-D82 HydrophobicContact CG1-CB 4.16Å; I59-I86 HydrophobicContact CD1-CD1 4.36Å
60	S	98	Very high	96.5	Very high	46 Å²	46	57.4 Å²	57.4	32%	0.322	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.9	-178.2	-53.3	0	0	0	0	113.3	R49 K56 I58 I62	R49-S60 VanDerWaalsContact CD-OG 3.31Å; R49-S60 WeakPolarHBondContact CD-OG 3.25Å; K56-S60 WeakPolarHBondContact O-CB 3.2Å; K56-S60 PolarHBondContact O-N 2.89Å; K56-S60 PolarHBondContact O-OG 2.7Å; I58-S60 VanDerWaalsContact C-N 3.27Å; I58-S60 PolarHBondContact O-N 3.35Å; S60-I62 PolarHBondContact O-N 2.9Å
61	H	97.5	Very high	96.4	Very high	54 Å²	54	51.4 Å²	51.4	25%	0.25	27%	0.272	C	S	.	.			trans	-74.7	123.5	-176.7	-174.4	80	0	0	0	111.2	I58 I59 F95 S134	I58-H61 WeakPolarHBondContact O-CB 2.95Å; I58-H61 PolarHBondContact O-N 2.85Å; I58-H61 VanDerWaalsContact O-N 3.13Å; I59-H61 VanDerWaalsContact C-N 3.31Å; H61-F95 HydrophobicContact CB-CE1 3.51Å; H61-F95 HydrophobicContact CB-CZ 3.68Å; H61-F95 AromaticContact CD2-CE1 3.77Å; H61-F95 AromaticContact CG-CE1 3.58Å; H61-F95 AromaticContact CG-CZ 3.55Å; H61-F95 AromaticContact ND1-CZ 3.81Å; H61-S134 PolarHBondContact NE2-OG 2.8Å
62	I	96.5	Very high	96.4	Very high	150 Å²	150	47.5 Å²	47.5	77%	0.769	25%	0.251	S	S	*	.			trans	-98.9	108.8	179.1	-53.9	-55.7	0	0	0	109.1	S60	S60-I62 PolarHBondContact O-N 2.9Å
63	K	95.1	Very high	96.4	Very high	29 Å²	29	43.5 Å²	43.5	13%	0.126	24%	0.235	C	C	.	.			trans	-76.3	150.9	175.9	-62.5	-170.6	171.4	-160.3	0	111.5	V74 L96 E98	K63-V74 HydrophobicContact CB-CG1 3.56Å; K63-V74 HydrophobicContact CD-CG1 4.22Å; K63-L96 PolarHBondContact NZ-O 3.16Å; K63-E98 IonicContact NZ-OE1 2.88Å; K63-E98 IonicContact NZ-OE2 3.44Å; K63-E98 PolarHBondContact NZ-OE2 3.09Å
64	D	94.6	Very high	96.4	Very high	81 Å²	81	39.8 Å²	39.8	43%	0.433	21%	0.211	S	C	.	.			trans	-115.8	114.2	177.3	-174.5	-0	0	0	0	110	S66 Y144 P148	D64-S66 PolarHBondContact O-N 3.49Å; D64-S66 WeakPolarHBondContact OD1-CA 3.03Å; D64-S66 PolarHBondContact OD1-N 3.43Å; D64-Y144 WeakPolarHBondContact O-CE1 3.19Å; D64-P148 WeakPolarHBondContact OD2-CB 3.38Å
65	Q	94.7	Very high	96.3	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.173	21%	0.206	C	C	.	.			trans	-75.4	-3.7	175.4	75.5	-177.3	76.8	0	0	113.2	L11 N67 C68 C71 V74 Y144	L11-Q65 PolarHBondContact O-NE2 3.43Å; L11-Q65 VanDerWaalsContact O-NE2 3.1Å; Q65-N67 PolarHBondContact O-N 3.31Å; Q65-C68 PolarHBondContact NE2-O 3.02Å; Q65-C68 WeakPolarHBondContact O-CB 3.32Å; Q65-C68 PolarHBondContact O-N 3.4Å; Q65-C71 VanDerWaalsContact OE1-CB 3.24Å; Q65-V74 HydrophobicContact CB-CB 4.47Å; Q65-V74 HydrophobicContact CB-CG2 3.81Å; Q65-Y144 PolarHBondContact O-OH 3.14Å
66	S	93.3	Very high	96.3	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-137.6	-174.8	-173.4	0	0	0	0	112.1	L11 D64 C68 A147 C149	L11-S66 WeakPolarHBondContact CD2-O 3.05Å; D64-S66 PolarHBondContact O-N 3.49Å; D64-S66 WeakPolarHBondContact OD1-CA 3.03Å; D64-S66 PolarHBondContact OD1-N 3.43Å; S66-C68 PolarHBondContact O-N 3.01Å; S66-A147 WeakPolarHBondContact CB-O 3.37Å; S66-A147 PolarHBondContact OG-O 2.76Å; S66-C149 WeakPolarHBondContact OG-CB 3.42Å
67	N	91.5	Very high	96.3	Very high	14 Å²	14	33.4 Å²	33.4	8%	0.075	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	53.7	178.8	175.9	35.7	0	0	0	110.3	N10 Q65 C149 C152 G154 N155 S156	N10-N67 PolarHBondContact ND2-OD1 2.93Å; Q65-N67 PolarHBondContact O-N 3.31Å; N67-C149 HydrophobicContact CB-CB 4.25Å; N67-C152 HydrophobicContact CB-CB 3.86Å; N67-C152 WeakPolarHBondContact ND2-CB 3.37Å; N67-G154 PolarHBondContact ND2-O 3.14Å; N67-G154 PolarHBondContact OD1-O 3Å; N67-N155 PolarHBondContact O-OD1 3.47Å; N67-S156 WeakPolarHBondContact O-CB 3.38Å; N67-S156 PolarHBondContact O-N 2.76Å; N67-S156 PolarHBondContact O-OG 3.09Å
68	C	93.8	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-137.5	133.5	179.3	170.7	0	0	0	0	107	N10 Q65 S66 S70 C112 I146	N10-C68 CarbonylContact O-C 3.44Å; Q65-C68 PolarHBondContact NE2-O 3.02Å; Q65-C68 WeakPolarHBondContact O-CB 3.32Å; Q65-C68 PolarHBondContact O-N 3.4Å; S66-C68 PolarHBondContact O-N 3.01Å; C68-S70 PolarHBondContact O-N 2.74Å; C68-S70 WeakPolarHBondContact SG-CB 3.2Å; C68-S70 PolarHBondContact SG-OG 2.89Å; C68-C112 HydrophobicContact CB-CB 3.92Å; C68-C112 WeakPolarHBondContact CB-SG 3.33Å; C68-C112 WeakPolarHBondContact SG-CA 3.2Å; C68-C112 WeakPolarHBondContact SG-CB 3.38Å; C68-C112 CovalentContact SG-SG 2.03Å; C68-C112 PolarHBondContact SG-SG 2.94Å; C68-I146 HydrophobicContact CB-CD1 3.53Å
69	G	94.5	Very high	96.3	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	-71.3	46	174.3	0	0	0	0	0	112.4	N10 G13 W72 C112 G114	N10-G69 VanDerWaalsContact O-CA 3.23Å; N10-G69 WeakPolarHBondContact O-CA 3.27Å; N10-G69 PolarHBondContact O-N 2.98Å; G13-G69 WeakPolarHBondContact CA-O 3.1Å; G69-W72 PolarHBondContact O-NE1 2.04Å; G69-C112 WeakPolarHBondContact CA-O 3.36Å; G69-C112 PolarHBondContact N-O 3.15Å; G69-G114 WeakPolarHBondContact O-CA 3.29Å; G69-G114 PolarHBondContact O-N 3.38Å
70	S	96.4	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.			trans	-103.2	18.8	-176.5	58.3	0	0	0	0	113.7	C68 W72 A73 V74 Y144	C68-S70 PolarHBondContact O-N 2.74Å; C68-S70 WeakPolarHBondContact SG-CB 3.2Å; C68-S70 PolarHBondContact SG-OG 2.89Å; S70-W72 PolarHBondContact O-N 2.69Å; S70-W72 VanDerWaalsContact O-N 3.1Å; S70-A73 PolarHBondContact O-N 2.98Å; S70-V74 WeakPolarHBondContact O-CG2 3.41Å; S70-V74 PolarHBondContact O-N 3.5Å; S70-Y144 PolarHBondContact OG-OH 3.33Å
71	C	96.4	Very high	96.3	Very high	32 Å²	32	27.1 Å²	27.1	22%	0.216	15%	0.152	C	C	.	.	H	α-helix	trans	-53.1	-34.2	178.3	62.7	0	0	0	0	112.4	G13 Q65 A73 V74 S75	G13-C71 VanDerWaalsContact CA-SG 3.55Å; G13-C71 PolarHBondContact N-SG 2.92Å; Q65-C71 VanDerWaalsContact OE1-CB 3.24Å; C71-A73 VanDerWaalsContact C-N 3.29Å; C71-A73 PolarHBondContact O-N 2.98Å; C71-V74 PolarHBondContact O-N 3.46Å; C71-S75 VanDerWaalsContact O-CB 3.27Å; C71-S75 WeakPolarHBondContact O-CB 3.25Å; C71-S75 PolarHBondContact O-N 3.35Å; C71-S75 PolarHBondContact O-OG 3.2Å
72	W	96.5	Very high	96.3	Very high	3 Å²	3	26 Å²	26	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-34.9	177.3	65.5	-92.6	0	0	0	113	G69 S70 A76 L101 I102 C108 G111 G114 G115 P117 A120	G69-W72 PolarHBondContact O-NE1 2.04Å; S70-W72 PolarHBondContact O-N 2.69Å; S70-W72 VanDerWaalsContact O-N 3.1Å; W72-A76 VanDerWaalsContact O-CB 3.24Å; W72-A76 WeakPolarHBondContact O-CB 3.41Å; W72-L101 HydrophobicContact CH2-CB 4.44Å; W72-L101 WeakPolarHBondContact CH2-O 3.08Å; W72-L101 HydrophobicContact CZ3-CB 4.29Å; W72-I102 HydrophobicContact CZ2-CG1 4.48Å; W72-C108 HydrophobicContact CE3-CB 4.09Å; W72-C108 HydrophobicContact CH2-CB 3.4Å; W72-C108 VanDerWaalsContact CH2-CB 3.4Å; W72-C108 HydrophobicContact CZ2-CB 4.41Å; W72-C108 HydrophobicContact CZ3-CB 3.22Å; W72-G111 PolarHBondContact NE1-O 2.9Å; W72-G114 VanDerWaalsContact NE1-C 3.31Å; W72-G115 WeakPolarHBondContact CB-O 3.4Å; W72-P117 HydrophobicContact CB-CG 3.93Å; W72-A120 HydrophobicContact CE3-CB 4.22Å; W72-A120 HydrophobicContact CZ3-CB 4.11Å
73	A	97.8	Very high	96.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-87	-42	178.1	0	0	0	0	0	111.7	S70 C71 A76 A77 L101 I102	S70-A73 PolarHBondContact O-N 2.98Å; C71-A73 VanDerWaalsContact C-N 3.29Å; C71-A73 PolarHBondContact O-N 2.98Å; A73-A76 PolarHBondContact O-N 2.98Å; A73-A77 VanDerWaalsContact O-CB 3.27Å; A73-A77 WeakPolarHBondContact O-CB 3.3Å; A73-A77 PolarHBondContact O-N 3.43Å; A73-L101 HydrophobicContact CB-CB 3.81Å; A73-L101 HydrophobicContact CB-CD1 4.32Å; A73-I102 HydrophobicContact CB-CD1 4.12Å; A73-I102 HydrophobicContact CB-CG1 3.48Å; A73-I102 VanDerWaalsContact CB-CG1 3.48Å
74	V	97.9	Very high	96.3	Very high	14 Å²	14	23 Å²	23	9%	0.085	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-47	-179.6	174.1	0	0	0	0	110.9	K63 Q65 S70 C71 S78 E98	K63-V74 HydrophobicContact CB-CG1 3.56Å; K63-V74 HydrophobicContact CD-CG1 4.22Å; Q65-V74 HydrophobicContact CB-CB 4.47Å; Q65-V74 HydrophobicContact CB-CG2 3.81Å; S70-V74 WeakPolarHBondContact O-CG2 3.41Å; S70-V74 PolarHBondContact O-N 3.5Å; C71-V74 PolarHBondContact O-N 3.46Å; V74-S78 WeakPolarHBondContact O-CB 3.3Å; V74-S78 PolarHBondContact O-N 2.8Å; V74-E98 HydrophobicContact CG2-CB 4.05Å; V74-E98 HydrophobicContact CG2-CG 4.13Å
75	S	97.7	Very high	96.5	Very high	60 Å²	60	19.1 Å²	19.1	42%	0.42	11%	0.105	S	C	.	.	H	α-helix	trans	-64.5	-43.8	176.2	59.2	0	0	0	0	112.1	C71 S78 V79	C71-S75 VanDerWaalsContact O-CB 3.27Å; C71-S75 WeakPolarHBondContact O-CB 3.25Å; C71-S75 PolarHBondContact O-N 3.35Å; C71-S75 PolarHBondContact O-OG 3.2Å; S75-S78 WeakPolarHBondContact O-CB 3.16Å; S75-S78 PolarHBondContact O-N 3.34Å; S75-V79 WeakPolarHBondContact O-CG2 3.42Å; S75-V79 PolarHBondContact O-N 2.95Å
76	A	97.5	Very high	96.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-51.4	177.3	0	0	0	0	0	111.4	W72 A73 S78 V79 M80 L101 A120 F121	W72-A76 VanDerWaalsContact O-CB 3.24Å; W72-A76 WeakPolarHBondContact O-CB 3.41Å; A73-A76 PolarHBondContact O-N 2.98Å; A76-S78 VanDerWaalsContact C-N 3.28Å; A76-S78 PolarHBondContact O-N 2.91Å; A76-V79 PolarHBondContact O-N 3.33Å; A76-V79 VanDerWaalsContact O-N 3.16Å; A76-M80 HydrophobicContact CB-CE 3.89Å; A76-M80 WeakPolarHBondContact O-CG 3.49Å; A76-M80 PolarHBondContact O-N 2.67Å; A76-L101 HydrophobicContact CB-CD1 4.36Å; A76-A120 HydrophobicContact CB-CB 3.72Å; A76-F121 HydrophobicContact CB-CE2 4.16Å; A76-F121 HydrophobicContact CB-CZ 4.2Å
77	A	98.3	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-36.7	177.6	0	0	0	0	0	112.7	A73 M80 S81 E98 L101	A73-A77 VanDerWaalsContact O-CB 3.27Å; A73-A77 WeakPolarHBondContact O-CB 3.3Å; A73-A77 PolarHBondContact O-N 3.43Å; A77-M80 PolarHBondContact O-N 3.44Å; A77-S81 WeakPolarHBondContact O-CB 3.27Å; A77-S81 PolarHBondContact O-N 3.14Å; A77-S81 PolarHBondContact O-OG 3.28Å; A77-E98 HydrophobicContact CB-CB 4.04Å; A77-L101 HydrophobicContact CB-CD1 4Å
78	S	98.3	Very high	96.9	Very high	32 Å²	32	20.3 Å²	20.3	22%	0.224	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-53.5	173	-164.2	0	0	0	0	111	V74 S75 A76 M80 S81 D82	V74-S78 WeakPolarHBondContact O-CB 3.3Å; V74-S78 PolarHBondContact O-N 2.8Å; S75-S78 WeakPolarHBondContact O-CB 3.16Å; S75-S78 PolarHBondContact O-N 3.34Å; A76-S78 VanDerWaalsContact C-N 3.28Å; A76-S78 PolarHBondContact O-N 2.91Å; S78-M80 VanDerWaalsContact C-N 3.32Å; S78-M80 PolarHBondContact O-N 3.4Å; S78-S81 WeakPolarHBondContact O-CB 3.49Å; S78-S81 PolarHBondContact O-N 3.15Å; S78-S81 VanDerWaalsContact O-N 3.13Å; S78-D82 PolarHBondContact O-N 2.85Å
79	V	97.4	Very high	96.9	Very high	54 Å²	54	26.7 Å²	26.7	33%	0.327	15%	0.153	S	C	.	.	H	α-helix	trans	-62.5	-38.3	179	173	0	0	0	0	112	S75 A76 S81 D82 R83 F121	S75-V79 WeakPolarHBondContact O-CG2 3.42Å; S75-V79 PolarHBondContact O-N 2.95Å; A76-V79 PolarHBondContact O-N 3.33Å; A76-V79 VanDerWaalsContact O-N 3.16Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 2.92Å; V79-D82 PolarHBondContact O-N 3.48Å; V79-R83 HydrophobicContact CG1-CG 4.29Å; V79-R83 WeakPolarHBondContact O-CB 3.47Å; V79-R83 WeakPolarHBondContact O-CG 3.37Å; V79-R83 PolarHBondContact O-N 3.17Å; V79-F121 HydrophobicContact CB-CE1 4.19Å; V79-F121 HydrophobicContact CB-CZ 3.94Å; V79-F121 HydrophobicContact CG1-CE1 3.9Å; V79-F121 HydrophobicContact CG1-CZ 3.85Å
80	M	97.8	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-40.3	176.3	-62.5	163.3	-176.4	0	0	111.3	A76 A77 S78 T84 L96 L101 A120 F121 W124 V129	A76-M80 HydrophobicContact CB-CE 3.89Å; A76-M80 WeakPolarHBondContact O-CG 3.49Å; A76-M80 PolarHBondContact O-N 2.67Å; A77-M80 PolarHBondContact O-N 3.44Å; S78-M80 VanDerWaalsContact C-N 3.32Å; S78-M80 PolarHBondContact O-N 3.4Å; M80-T84 WeakPolarHBondContact O-CB 3.45Å; M80-T84 PolarHBondContact O-N 3.38Å; M80-T84 PolarHBondContact O-OG1 3.06Å; M80-L96 HydrophobicContact CB-CD1 3.58Å; M80-L101 HydrophobicContact CE-CD1 4.19Å; M80-L101 HydrophobicContact SD-CD1 4.21Å; M80-A120 VanDerWaalsContact CE-C 3.46Å; M80-A120 HydrophobicContact CE-CB 4.21Å; M80-A120 WeakPolarHBondContact CE-O 3.5Å; M80-F121 HydrophobicContact CE-CD1 3.74Å; M80-F121 HydrophobicContact CE-CE1 4.1Å; M80-F121 HydrophobicContact CE-CG 4.16Å; M80-F121 HydrophobicContact CG-CD1 4.06Å; M80-F121 HydrophobicContact CG-CE1 3.84Å; M80-W124 HydrophobicContact CB-CD2 4.07Å; M80-W124 HydrophobicContact CB-CE3 4.26Å; M80-W124 HydrophobicContact CB-CH2 4.12Å; M80-W124 HydrophobicContact CB-CZ2 3.95Å; M80-W124 HydrophobicContact CB-CZ3 4.27Å; M80-W124 HydrophobicContact CE-CB 3.6Å; M80-W124 HydrophobicContact CE-CD2 4.4Å; M80-W124 HydrophobicContact CE-CE3 4.4Å; M80-W124 HydrophobicContact CE-CG 4.14Å; M80-W124 HydrophobicContact CG-CD2 3.59Å; M80-W124 HydrophobicContact CG-CE3 3.57Å; M80-W124 HydrophobicContact CG-CG 4.06Å; M80-W124 HydrophobicContact CG-CH2 4.26Å; M80-W124 HydrophobicContact CG-CZ2 4.31Å; M80-W124 HydrophobicContact CG-CZ3 3.9Å; M80-W124 HydrophobicContact SD-CB 3.82Å; M80-W124 HydrophobicContact SD-CD2 4.01Å; M80-W124 HydrophobicContact SD-CE3 4.38Å; M80-W124 HydrophobicContact SD-CG 3.8Å; M80-V129 HydrophobicContact SD-CG2 4.29Å
81	S	98.1	Very high	96.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-48.1	176.6	-53.3	0	0	0	0	110.7	A77 S78 V79 R83 T84 C85 V94 L96	A77-S81 WeakPolarHBondContact O-CB 3.27Å; A77-S81 PolarHBondContact O-N 3.14Å; A77-S81 PolarHBondContact O-OG 3.28Å; S78-S81 WeakPolarHBondContact O-CB 3.49Å; S78-S81 PolarHBondContact O-N 3.15Å; S78-S81 VanDerWaalsContact O-N 3.13Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 2.92Å; S81-R83 PolarHBondContact O-N 3.49Å; S81-T84 WeakPolarHBondContact O-CB 3.33Å; S81-T84 PolarHBondContact O-N 3.13Å; S81-C85 PolarHBondContact O-N 3.25Å; S81-V94 WeakPolarHBondContact CB-O 3.46Å; S81-L96 PolarHBondContact OG-N 2.87Å
82	D	97.9	Very high	96.9	Very high	30 Å²	30	32.6 Å²	32.6	16%	0.16	20%	0.195	C	C	.	.	H	α-helix	trans	-57.2	-51.9	176.8	-66.1	-7.7	0	0	0	111.1	I59 S78 V79 T84 C85 I86	I59-D82 WeakPolarHBondContact CA-OD1 3.39Å; I59-D82 HydrophobicContact CG1-CB 4.16Å; S78-D82 PolarHBondContact O-N 2.85Å; V79-D82 PolarHBondContact O-N 3.48Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.95Å; D82-C85 PolarHBondContact O-N 2.99Å; D82-I86 WeakPolarHBondContact O-CB 3.35Å; D82-I86 VanDerWaalsContact O-CG1 3.23Å; D82-I86 WeakPolarHBondContact O-CG1 3.2Å; D82-I86 PolarHBondContact O-N 3.13Å
83	R	96.8	Very high	96.9	Very high	115 Å²	115	34.9 Å²	34.9	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-67	-33.5	-178.1	-73.2	-177.5	173.7	-90.5	-1.4	112.7	V79 S81 I86 A87 W124	V79-R83 HydrophobicContact CG1-CG 4.29Å; V79-R83 WeakPolarHBondContact O-CB 3.47Å; V79-R83 WeakPolarHBondContact O-CG 3.37Å; V79-R83 PolarHBondContact O-N 3.17Å; S81-R83 PolarHBondContact O-N 3.49Å; R83-I86 PolarHBondContact O-N 3.34Å; R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 3.31Å; R83-W124 HydrophobicContact CB-CH2 4.37Å
84	T	96.2	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-45.7	172.9	-66.1	0	0	0	0	110.6	M80 S81 D82 S88 T92 V94 Y183	M80-T84 WeakPolarHBondContact O-CB 3.45Å; M80-T84 PolarHBondContact O-N 3.38Å; M80-T84 PolarHBondContact O-OG1 3.06Å; S81-T84 WeakPolarHBondContact O-CB 3.33Å; S81-T84 PolarHBondContact O-N 3.13Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.95Å; T84-S88 WeakPolarHBondContact O-CB 3.33Å; T84-S88 PolarHBondContact O-N 2.99Å; T84-S88 PolarHBondContact O-OG 3.49Å; T84-T92 HydrophobicContact CG2-CG2 3.57Å; T84-V94 HydrophobicContact CG2-CG2 4.4Å; T84-Y183 HydrophobicContact CG2-CD1 4.33Å; T84-Y183 HydrophobicContact CG2-CE1 3.68Å; T84-Y183 HydrophobicContact CG2-CE2 3.94Å; T84-Y183 VanDerWaalsContact CG2-CZ 3.44Å
85	C	97.4	Very high	96.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.3	-48.8	175.9	-174.5	0	0	0	0	112	C55 I58 S81 D82 S88 N89 G90 T92	C55-C85 WeakPolarHBondContact CA-SG 3.16Å; C55-C85 HydrophobicContact CB-CB 3.8Å; C55-C85 WeakPolarHBondContact CB-SG 3.41Å; C55-C85 WeakPolarHBondContact SG-CB 3.27Å; C55-C85 PolarHBondContact SG-O 3.29Å; C55-C85 VanDerWaalsContact SG-O 3.38Å; C55-C85 CovalentContact SG-SG 2.03Å; C55-C85 PolarHBondContact SG-SG 3.36Å; I58-C85 HydrophobicContact CG1-CB 4.38Å; S81-C85 PolarHBondContact O-N 3.25Å; D82-C85 PolarHBondContact O-N 2.99Å; C85-S88 CarbonylContact O-C 3.49Å; C85-S88 PolarHBondContact O-N 2.88Å; C85-S88 PolarHBondContact O-OG 3.13Å; C85-S88 VanDerWaalsContact O-OG 3.04Å; C85-N89 PolarHBondContact O-N 2.73Å; C85-G90 PolarHBondContact O-N 2.66Å; C85-T92 VanDerWaalsContact CA-O 3.25Å; C85-T92 WeakPolarHBondContact CA-O 3.46Å; C85-T92 PolarHBondContact N-O 3.48Å
86	I	97	Very high	96.8	Very high	28 Å²	28	35.8 Å²	35.8	14%	0.144	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-52.2	-177.3	-70	167.2	0	0	0	111	W52 C55 I59 D82 R83 S88 N89 L185	W52-I86 HydrophobicContact CB-CG1 4.09Å; W52-I86 HydrophobicContact CD2-CD1 3.76Å; W52-I86 HydrophobicContact CD2-CG1 3.87Å; W52-I86 HydrophobicContact CD2-CG2 4.26Å; W52-I86 HydrophobicContact CE3-CD1 3.82Å; W52-I86 HydrophobicContact CE3-CG1 4.39Å; W52-I86 HydrophobicContact CG-CD1 4.12Å; W52-I86 HydrophobicContact CG-CG1 3.69Å; W52-I86 HydrophobicContact CG-CG2 4.26Å; W52-I86 HydrophobicContact CZ2-CG2 4.25Å; W52-I86 HydrophobicContact CZ3-CD1 4.23Å; C55-I86 HydrophobicContact CB-CG1 4.46Å; C55-I86 PolarHBondContact SG-N 2.66Å; I59-I86 HydrophobicContact CD1-CD1 4.36Å; D82-I86 WeakPolarHBondContact O-CB 3.35Å; D82-I86 VanDerWaalsContact O-CG1 3.23Å; D82-I86 WeakPolarHBondContact O-CG1 3.2Å; D82-I86 PolarHBondContact O-N 3.13Å; R83-I86 PolarHBondContact O-N 3.34Å; I86-S88 PolarHBondContact O-N 2.64Å; I86-N89 PolarHBondContact O-N 2.9Å; I86-L185 HydrophobicContact CG2-CD2 3.62Å
87	A	95.5	Very high	96.7	Very high	35 Å²	35	35.8 Å²	35.8	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-67.9	-23.6	-177	0	0	0	0	0	112.8	R83 N89 Y183 L185	R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 3.31Å; A87-N89 VanDerWaalsContact C-N 3.33Å; A87-Y183 HydrophobicContact CB-CD1 4.08Å; A87-Y183 HydrophobicContact CB-CG 4.35Å; A87-L185 HydrophobicContact CB-CD2 4.4Å
88	S	95	Very high	96.7	Very high	20 Å²	20	36 Å²	36	14%	0.14	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.3	175.5	70.4	0	0	0	0	113.4	T84 C85 I86 G90 S91 T92	T84-S88 WeakPolarHBondContact O-CB 3.33Å; T84-S88 PolarHBondContact O-N 2.99Å; T84-S88 PolarHBondContact O-OG 3.49Å; C85-S88 CarbonylContact O-C 3.49Å; C85-S88 PolarHBondContact O-N 2.88Å; C85-S88 PolarHBondContact O-OG 3.13Å; C85-S88 VanDerWaalsContact O-OG 3.04Å; I86-S88 PolarHBondContact O-N 2.64Å; S88-G90 PolarHBondContact O-N 2.91Å; S88-S91 WeakPolarHBondContact CB-OG 3.41Å; S88-S91 WeakPolarHBondContact O-CB 3.28Å; S88-S91 PolarHBondContact O-N 3.48Å; S88-S91 PolarHBondContact O-OG 3.37Å; S88-T92 WeakPolarHBondContact OG-CB 3.41Å; S88-T92 PolarHBondContact OG-N 3.46Å
89	N	94.9	Very high	96.6	Very high	134 Å²	134	35 Å²	35	72%	0.717	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	40.8	-173.9	-165.6	35.7	0	0	0	112.7	C85 I86 A87 S91	C85-N89 PolarHBondContact O-N 2.73Å; I86-N89 PolarHBondContact O-N 2.9Å; A87-N89 VanDerWaalsContact C-N 3.33Å; N89-S91 VanDerWaalsContact C-N 3.32Å; N89-S91 PolarHBondContact O-N 3.14Å
90	G	95.9	Very high	96.6	Very high	19 Å²	19	32.7 Å²	32.7	20%	0.196	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-7.6	-179.9	0	0	0	0	0	116	C85 S88 T92	C85-G90 PolarHBondContact O-N 2.66Å; S88-G90 PolarHBondContact O-N 2.91Å; G90-T92 PolarHBondContact O-N 2.83Å
91	S	95.6	Very high	96.6	Very high	101 Å²	101	32.7 Å²	32.7	71%	0.706	19%	0.192	S	C	*	.	S	Bend	trans	-68.1	-20.3	179.5	63.5	0	0	0	0	113.6	S88 N89	S88-S91 WeakPolarHBondContact CB-OG 3.41Å; S88-S91 WeakPolarHBondContact O-CB 3.28Å; S88-S91 PolarHBondContact O-N 3.48Å; S88-S91 PolarHBondContact O-OG 3.37Å; N89-S91 VanDerWaalsContact C-N 3.32Å; N89-S91 PolarHBondContact O-N 3.14Å
92	T	95.2	Very high	96.6	Very high	37 Å²	37	32.9 Å²	32.9	23%	0.227	19%	0.193	C	C	.	.			trans	-125.3	80.9	172.6	-50.1	0	0	0	0	110	T84 C85 S88 G90 V94	T84-T92 HydrophobicContact CG2-CG2 3.57Å; C85-T92 VanDerWaalsContact CA-O 3.25Å; C85-T92 WeakPolarHBondContact CA-O 3.46Å; C85-T92 PolarHBondContact N-O 3.48Å; S88-T92 WeakPolarHBondContact OG-CB 3.41Å; S88-T92 PolarHBondContact OG-N 3.46Å; G90-T92 PolarHBondContact O-N 2.83Å; T92-V94 HydrophobicContact CG2-CG1 4.45Å; T92-V94 HydrophobicContact CG2-CG2 4.07Å
93	A	96.1	Very high	96.5	Very high	52 Å²	52	31.5 Å²	31.5	43%	0.43	19%	0.185	S	C	.	.			trans	-99.6	83.3	176.6	0	0	0	0	0	110.6	I58	I58-A93 HydrophobicContact CD1-CB 4.24Å; I58-A93 HydrophobicContact CG1-CB 3.96Å
94	V	96.1	Very high	96.5	Very high	40 Å²	40	26.8 Å²	26.8	24%	0.242	17%	0.17	C	C	.	.			trans	-130.5	153.2	-176.6	-59.4	0	0	0	0	111.6	S81 T84 T92 L96 T131	S81-V94 WeakPolarHBondContact CB-O 3.46Å; T84-V94 HydrophobicContact CG2-CG2 4.4Å; T92-V94 HydrophobicContact CG2-CG1 4.45Å; T92-V94 HydrophobicContact CG2-CG2 4.07Å; V94-L96 HydrophobicContact CG2-CD2 4.07Å; V94-T131 HydrophobicContact CB-CG2 4.04Å; V94-T131 HydrophobicContact CG1-CG2 4.38Å; V94-T131 HydrophobicContact CG2-CG2 4.2Å
95	F	97.6	Very high	96.5	Very high	53 Å²	53	27 Å²	27	23%	0.232	17%	0.171	C	C	.	.			trans	-87.7	125.6	169.1	-61.5	-60.7	0	0	0	110.2	I58 H61 T131 G132	I58-F95 HydrophobicContact CB-CE1 4.49Å; I58-F95 HydrophobicContact CD1-CD1 4.23Å; I58-F95 HydrophobicContact CD1-CE1 3.78Å; I58-F95 HydrophobicContact CD1-CE2 4.38Å; I58-F95 HydrophobicContact CD1-CZ 3.86Å; I58-F95 HydrophobicContact CG2-CD1 4.44Å; I58-F95 HydrophobicContact CG2-CE1 4.18Å; H61-F95 HydrophobicContact CB-CE1 3.51Å; H61-F95 HydrophobicContact CB-CZ 3.68Å; H61-F95 AromaticContact CD2-CE1 3.77Å; H61-F95 AromaticContact CG-CE1 3.58Å; H61-F95 AromaticContact CG-CZ 3.55Å; H61-F95 AromaticContact ND1-CZ 3.81Å; F95-T131 CarbonylContact O-C 3.49Å; F95-T131 WeakPolarHBondContact O-CA 3.41Å; F95-G132 VanDerWaalsContact CB-O 3.28Å; F95-G132 WeakPolarHBondContact CB-O 3.21Å; F95-G132 PolarHBondContact O-N 2.79Å
96	L	97.3	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-87.2	144.5	174.2	-61.2	-178	0	0	0	110.9	K63 M80 S81 V94 E98 W124 V129 H178	K63-L96 PolarHBondContact NZ-O 3.16Å; M80-L96 HydrophobicContact CB-CD1 3.58Å; S81-L96 PolarHBondContact OG-N 2.87Å; V94-L96 HydrophobicContact CG2-CD2 4.07Å; L96-E98 PolarHBondContact O-N 3.06Å; L96-W124 HydrophobicContact CD1-CZ2 4.44Å; L96-V129 HydrophobicContact CB-CB 4.46Å; L96-V129 HydrophobicContact CB-CG1 3.98Å; L96-H178 HydrophobicContact CD1-CB 4.28Å; L96-H178 HydrophobicContact CD2-CB 3.68Å
97	S	97	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.			trans	-75.3	109.7	-169.5	-179.8	0	0	0	0	113.5	E99 E100 V129 P130 K142	S97-E99 VanDerWaalsContact C-N 3.25Å; S97-E99 WeakPolarHBondContact OG-CB 3.49Å; S97-E99 PolarHBondContact OG-N 2.98Å; S97-E100 PolarHBondContact O-N 3.33Å; S97-E100 PolarHBondContact OG-N 2.88Å; S97-V129 WeakPolarHBondContact O-CG1 3.13Å; S97-P130 WeakPolarHBondContact CB-O 3.23Å; S97-P130 PolarHBondContact N-O 3.18Å; S97-K142 WeakPolarHBondContact CB-O 3.37Å; S97-K142 PolarHBondContact OG-O 3.29Å
98	E	97.7	Very high	96.1	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-62.5	-33.6	163.3	56.1	-91.7	-147	0	0	112	K63 V74 A77 L96 E100 L101 I102 Y144	K63-E98 IonicContact NZ-OE1 2.88Å; K63-E98 IonicContact NZ-OE2 3.44Å; K63-E98 PolarHBondContact NZ-OE2 3.09Å; V74-E98 HydrophobicContact CG2-CB 4.05Å; V74-E98 HydrophobicContact CG2-CG 4.13Å; A77-E98 HydrophobicContact CB-CB 4.04Å; L96-E98 PolarHBondContact O-N 3.06Å; E98-E100 VanDerWaalsContact C-N 3.3Å; E98-E100 PolarHBondContact O-N 3.19Å; E98-L101 WeakPolarHBondContact O-CB 3.37Å; E98-L101 PolarHBondContact O-N 3.36Å; E98-L101 VanDerWaalsContact O-N 3.14Å; E98-I102 HydrophobicContact CB-CD1 4.25Å; E98-I102 WeakPolarHBondContact O-CB 3.46Å; E98-I102 VanDerWaalsContact O-CD1 3.28Å; E98-I102 WeakPolarHBondContact O-CD1 3.41Å; E98-I102 WeakPolarHBondContact O-CG1 3.34Å; E98-I102 PolarHBondContact O-N 2.94Å; E98-Y144 HydrophobicContact CG-CD2 3.48Å; E98-Y144 VanDerWaalsContact CG-CD2 3.48Å; E98-Y144 HydrophobicContact CG-CE2 3.91Å; E98-Y144 HydrophobicContact CG-CG 4.21Å
99	E	96.7	Very high	96	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-39.5	178.2	-176.5	76.2	-174.1	0	0	111.2	S97 I102 S103 K142 S145 P159	S97-E99 VanDerWaalsContact C-N 3.25Å; S97-E99 WeakPolarHBondContact OG-CB 3.49Å; S97-E99 PolarHBondContact OG-N 2.98Å; E99-I102 PolarHBondContact O-N 3.19Å; E99-S103 VanDerWaalsContact O-CB 3.25Å; E99-S103 WeakPolarHBondContact O-CB 3.06Å; E99-S103 PolarHBondContact O-N 2.66Å; E99-S103 PolarHBondContact O-OG 3.25Å; E99-K142 HydrophobicContact CB-CG 4.05Å; E99-K142 HydrophobicContact CG-CD 4.21Å; E99-K142 HydrophobicContact CG-CG 3.78Å; E99-S145 VanDerWaalsContact CD-OG 3.24Å; E99-S145 WeakPolarHBondContact OE1-CB 2.91Å; E99-S145 PolarHBondContact OE1-OG 3.47Å; E99-S145 PolarHBondContact OE2-N 2.96Å; E99-S145 VanDerWaalsContact OE2-N 3.14Å; E99-S145 PolarHBondContact OE2-OG 3.27Å; E99-S145 VanDerWaalsContact OE2-OG 3.13Å; E99-P159 WeakPolarHBondContact OE1-CB 3.11Å; E99-P159 VanDerWaalsContact OE1-CG 3.27Å; E99-P159 WeakPolarHBondContact OE1-CG 3.37Å
100	E	96.7	Very high	96	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-47.9	174	179.7	66.7	-177.3	0	0	111.5	S97 E98 I102 C104 Y123 V129 P130 K142 R177	S97-E100 PolarHBondContact O-N 3.33Å; S97-E100 PolarHBondContact OG-N 2.88Å; E98-E100 VanDerWaalsContact C-N 3.3Å; E98-E100 PolarHBondContact O-N 3.19Å; E100-I102 VanDerWaalsContact C-N 3.35Å; E100-I102 PolarHBondContact O-N 2.85Å; E100-C104 WeakPolarHBondContact O-CA 3.27Å; E100-C104 VanDerWaalsContact O-CB 3.27Å; E100-C104 WeakPolarHBondContact O-CB 3.41Å; E100-C104 PolarHBondContact O-N 3.05Å; E100-C104 PolarHBondContact OE2-SG 2.86Å; E100-C104 VanDerWaalsContact OE2-SG 3.38Å; E100-Y123 HydrophobicContact CG-CE1 4.2Å; E100-Y123 PolarHBondContact OE1-OH 3.31Å; E100-V129 HydrophobicContact CB-CG1 4.34Å; E100-P130 HydrophobicContact CB-CG 4.03Å; E100-P130 HydrophobicContact CG-CG 4.12Å; E100-K142 HydrophobicContact CB-CD 4.19Å; E100-K142 WeakPolarHBondContact OE2-CD 3.33Å; E100-K142 IonicContact OE2-NZ 2.74Å; E100-K142 PolarHBondContact OE2-NZ 2.88Å; E100-R177 IonicContact OE1-CZ 3.65Å; E100-R177 IonicContact OE1-NH1 3.81Å; E100-R177 IonicContact OE1-NH2 2.65Å; E100-R177 PolarHBondContact OE1-NH2 3.23Å
101	L	97.9	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-47.5	179.5	-64.4	175.5	0	0	0	110.4	W72 A73 A76 A77 M80 E98 C105 A120 Y123 V129	W72-L101 HydrophobicContact CH2-CB 4.44Å; W72-L101 WeakPolarHBondContact CH2-O 3.08Å; W72-L101 HydrophobicContact CZ3-CB 4.29Å; A73-L101 HydrophobicContact CB-CB 3.81Å; A73-L101 HydrophobicContact CB-CD1 4.32Å; A76-L101 HydrophobicContact CB-CD1 4.36Å; A77-L101 HydrophobicContact CB-CD1 4Å; M80-L101 HydrophobicContact CE-CD1 4.19Å; M80-L101 HydrophobicContact SD-CD1 4.21Å; E98-L101 WeakPolarHBondContact O-CB 3.37Å; E98-L101 PolarHBondContact O-N 3.36Å; E98-L101 VanDerWaalsContact O-N 3.14Å; L101-C105 WeakPolarHBondContact O-CB 3.46Å; L101-C105 PolarHBondContact O-N 2.91Å; L101-A120 HydrophobicContact CD1-CB 4.24Å; L101-A120 HydrophobicContact CD2-CB 4.29Å; L101-Y123 HydrophobicContact CD2-CD1 3.78Å; L101-Y123 HydrophobicContact CD2-CE1 4.46Å; L101-Y123 HydrophobicContact CD2-CG 4.41Å; L101-V129 HydrophobicContact CD2-CG2 3.8Å; L101-V129 HydrophobicContact CG-CG2 4.4Å
102	I	97.5	Very high	95.9	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-47.9	-177.6	-67.1	160.2	0	0	0	111.6	W72 A73 E98 E99 E100 Y144 T158	W72-I102 HydrophobicContact CZ2-CG1 4.48Å; A73-I102 HydrophobicContact CB-CD1 4.12Å; A73-I102 HydrophobicContact CB-CG1 3.48Å; A73-I102 VanDerWaalsContact CB-CG1 3.48Å; E98-I102 HydrophobicContact CB-CD1 4.25Å; E98-I102 WeakPolarHBondContact O-CB 3.46Å; E98-I102 VanDerWaalsContact O-CD1 3.28Å; E98-I102 WeakPolarHBondContact O-CD1 3.41Å; E98-I102 WeakPolarHBondContact O-CG1 3.34Å; E98-I102 PolarHBondContact O-N 2.94Å; E99-I102 PolarHBondContact O-N 3.19Å; E100-I102 VanDerWaalsContact C-N 3.35Å; E100-I102 PolarHBondContact O-N 2.85Å; I102-Y144 HydrophobicContact CD1-CD2 4.36Å; I102-Y144 HydrophobicContact CD1-CE2 3.48Å; I102-Y144 VanDerWaalsContact CD1-CE2 3.48Å; I102-T158 HydrophobicContact CG2-CG2 4.12Å
103	S	97	Very high	95.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-85.4	-35.8	-170.8	65.3	0	0	0	0	113	E99 K142 P159 C161	E99-S103 VanDerWaalsContact O-CB 3.25Å; E99-S103 WeakPolarHBondContact O-CB 3.06Å; E99-S103 PolarHBondContact O-N 2.66Å; E99-S103 PolarHBondContact O-OG 3.25Å; S103-K142 WeakPolarHBondContact OG-CE 3.45Å; S103-K142 PolarHBondContact OG-NZ 3.42Å; S103-P159 VanDerWaalsContact CB-O 3.22Å; S103-P159 WeakPolarHBondContact CB-O 3.01Å; S103-C161 VanDerWaalsContact O-CB 3.3Å; S103-C161 WeakPolarHBondContact O-CB 3.31Å
104	C	96.5	Very high	95.7	Very high	15 Å²	15	32 Å²	32	10%	0.101	16%	0.161	C	C	.	.	H	α-helix	trans	-112	-21	-167.9	-62.4	0	0	0	0	115.1	E100 R106 K142 C161	E100-C104 WeakPolarHBondContact O-CA 3.27Å; E100-C104 VanDerWaalsContact O-CB 3.27Å; E100-C104 WeakPolarHBondContact O-CB 3.41Å; E100-C104 PolarHBondContact O-N 3.05Å; E100-C104 PolarHBondContact OE2-SG 2.86Å; E100-C104 VanDerWaalsContact OE2-SG 3.38Å; C104-R106 PolarHBondContact O-N 2.69Å; C104-K142 PolarHBondContact SG-NZ 3.02Å; C104-C161 VanDerWaalsContact CA-SG 3.59Å; C104-C161 HydrophobicContact CB-CB 4.02Å; C104-C161 WeakPolarHBondContact CB-SG 3.39Å; C104-C161 VanDerWaalsContact SG-CA 3.51Å; C104-C161 WeakPolarHBondContact SG-CB 3.46Å; C104-C161 CovalentContact SG-SG 2.04Å; C104-C161 PolarHBondContact SG-SG 2.79Å
105	C	96.8	Very high	95.6	Very high	5 Å²	5	30 Å²	30	3%	0.034	15%	0.149	C	C	.	.			trans	-78.3	88.1	179.2	-174.6	0	0	0	0	112.2	L101 I107 C108 Y123	L101-C105 WeakPolarHBondContact O-CB 3.46Å; L101-C105 PolarHBondContact O-N 2.91Å; C105-I107 PolarHBondContact O-N 3.41Å; C105-I107 WeakPolarHBondContact SG-CG1 3.31Å; C105-C108 HydrophobicContact CB-CB 3.64Å; C105-C108 WeakPolarHBondContact CB-SG 3.47Å; C105-C108 PolarHBondContact O-N 3.05Å; C105-C108 VanDerWaalsContact O-N 3.1Å; C105-C108 WeakPolarHBondContact SG-CB 3.13Å; C105-C108 PolarHBondContact SG-N 2.55Å; C105-C108 CovalentContact SG-SG 2.01Å; C105-C108 PolarHBondContact SG-SG 3.33Å; C105-Y123 HydrophobicContact CB-CD2 3.7Å; C105-Y123 HydrophobicContact CB-CE2 4.07Å; C105-Y123 HydrophobicContact CB-CG 3.97Å; C105-Y123 WeakPolarHBondContact SG-CD2 3.13Å
106	R	94.7	Very high	95.4	Very high	189 Å²	189	30.9 Å²	30.9	71%	0.713	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21	-179.4	-57.8	-55.2	-177.1	-175.7	-2	114.8	C104	C104-R106 PolarHBondContact O-N 2.69Å
107	I	92.3	Very high	95.2	Very high	76 Å²	76	32.1 Å²	32.1	39%	0.39	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-19.5	175.9	62.6	171.9	0	0	0	112.3	C105 G109 R119 L122	C105-I107 PolarHBondContact O-N 3.41Å; C105-I107 WeakPolarHBondContact SG-CG1 3.31Å; I107-G109 PolarHBondContact O-N 3.34Å; I107-R119 HydrophobicContact CG1-CB 4.49Å; I107-R119 WeakPolarHBondContact O-CD 3.24Å; I107-L122 HydrophobicContact CD1-CD2 4.17Å; I107-L122 HydrophobicContact CD1-CG 4.44Å
108	C	94.2	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.9	-170.3	-65.6	0	0	0	0	113.7	W72 C105 G115 Y116 R119 A120	W72-C108 HydrophobicContact CE3-CB 4.09Å; W72-C108 HydrophobicContact CH2-CB 3.4Å; W72-C108 VanDerWaalsContact CH2-CB 3.4Å; W72-C108 HydrophobicContact CZ2-CB 4.41Å; W72-C108 HydrophobicContact CZ3-CB 3.22Å; C105-C108 HydrophobicContact CB-CB 3.64Å; C105-C108 WeakPolarHBondContact CB-SG 3.47Å; C105-C108 PolarHBondContact O-N 3.05Å; C105-C108 VanDerWaalsContact O-N 3.1Å; C105-C108 WeakPolarHBondContact SG-CB 3.13Å; C105-C108 PolarHBondContact SG-N 2.55Å; C105-C108 CovalentContact SG-SG 2.01Å; C105-C108 PolarHBondContact SG-SG 3.33Å; C108-G115 CarbonylContact O-C 3.4Å; C108-G115 WeakPolarHBondContact O-CA 2.95Å; C108-Y116 WeakPolarHBondContact O-CD2 3.24Å; C108-Y116 PolarHBondContact O-N 3.38Å; C108-R119 HydrophobicContact CB-CB 4.48Å; C108-R119 PolarHBondContact SG-O 2.74Å; C108-A120 WeakPolarHBondContact SG-CA 3.43Å; C108-A120 PolarHBondContact SG-N 2.9Å; C108-A120 VanDerWaalsContact SG-N 3.43Å
109	G	91.7	Very high	94.7	Very high	26 Å²	26	37.3 Å²	37.3	27%	0.268	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	140.9	-144.6	-177.6	0	0	0	0	0	112.3	I107	I107-G109 PolarHBondContact O-N 3.34Å
110	M	94.8	Very high	94.7	Very high	119 Å²	119	36.7 Å²	36.7	59%	0.586	18%	0.183	S	C	*	.			trans	-118	33.3	-169.4	-63.3	166.9	-74.9	0	0	111.7	C112 D113 G114 T158	M110-C112 PolarHBondContact O-N 3.1Å; M110-C112 VanDerWaalsContact O-N 3.14Å; M110-D113 HydrophobicContact CB-CB 3.97Å; M110-D113 PolarHBondContact O-N 2.95Å; M110-G114 PolarHBondContact N-O 2.97Å; M110-T158 PolarHBondContact O-OG1 1.99Å
111	G	95.3	Very high	94.5	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	62.8	-115.3	174.9	0	0	0	0	0	112.8	W72 D113 G114	W72-G111 PolarHBondContact NE1-O 2.9Å; G111-D113 PolarHBondContact O-N 3.48Å; G111-G114 PolarHBondContact O-N 3.25Å
112	C	95.2	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-73.3	-9	176.8	-68.7	0	0	0	0	114.5	C68 G69 M110 G114 N155 S156 T158	C68-C112 HydrophobicContact CB-CB 3.92Å; C68-C112 WeakPolarHBondContact CB-SG 3.33Å; C68-C112 WeakPolarHBondContact SG-CA 3.2Å; C68-C112 WeakPolarHBondContact SG-CB 3.38Å; C68-C112 CovalentContact SG-SG 2.03Å; C68-C112 PolarHBondContact SG-SG 2.94Å; G69-C112 WeakPolarHBondContact CA-O 3.36Å; G69-C112 PolarHBondContact N-O 3.15Å; M110-C112 PolarHBondContact O-N 3.1Å; M110-C112 VanDerWaalsContact O-N 3.14Å; C112-G114 VanDerWaalsContact C-N 3.33Å; C112-N155 PolarHBondContact O-ND2 2.93Å; C112-S156 WeakPolarHBondContact CB-O 3.2Å; C112-T158 PolarHBondContact N-OG1 3.13Å
113	D	93.2	Very high	94.2	Very high	114 Å²	114	42.7 Å²	42.7	61%	0.61	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-97	10.5	173.6	-59.1	-49.1	0	0	0	112.3	M110 G111 N155	M110-D113 HydrophobicContact CB-CB 3.97Å; M110-D113 PolarHBondContact O-N 2.95Å; G111-D113 PolarHBondContact O-N 3.48Å; D113-N155 PolarHBondContact OD1-ND2 3.26Å
114	G	94	Very high	94.2	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	21%	0.214	C	C	.	.			trans	109.7	172.9	171.4	0	0	0	0	0	115.4	G13 G69 W72 M110 G111 C112	G13-G114 CarbonylContact O-C 3.31Å; G13-G114 VanDerWaalsContact O-C 3.31Å; G13-G114 WeakPolarHBondContact O-CA 3.28Å; G69-G114 WeakPolarHBondContact O-CA 3.29Å; G69-G114 PolarHBondContact O-N 3.38Å; W72-G114 VanDerWaalsContact NE1-C 3.31Å; M110-G114 PolarHBondContact N-O 2.97Å; G111-G114 PolarHBondContact O-N 3.25Å; C112-G114 VanDerWaalsContact C-N 3.33Å
115	G	94.5	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	177	-176.6	-174.1	0	0	0	0	0	114.6	G13 P15 W72 C108	G13-G115 PolarHBondContact O-N 3.37Å; P15-G115 VanDerWaalsContact CD-O 3.24Å; P15-G115 WeakPolarHBondContact CD-O 3.23Å; W72-G115 WeakPolarHBondContact CB-O 3.4Å; C108-G115 CarbonylContact O-C 3.4Å; C108-G115 WeakPolarHBondContact O-CA 2.95Å
116	Y	92.5	Very high	93.8	Very high	70 Å²	70	52.8 Å²	52.8	28%	0.275	25%	0.251	S	S	.	.			trans	-117.7	109.6	-165.7	-57.1	-84.9	0	0	0	110.4	P15 C108 P118 R119 A120	P15-Y116 HydrophobicContact CB-CE1 4.14Å; P15-Y116 HydrophobicContact CG-CD1 4.36Å; P15-Y116 HydrophobicContact CG-CE1 3.73Å; P15-Y116 HydrophobicContact CG-CE2 4.32Å; C108-Y116 WeakPolarHBondContact O-CD2 3.24Å; C108-Y116 PolarHBondContact O-N 3.38Å; Y116-P118 VanDerWaalsContact C-CD 3.47Å; Y116-R119 PolarHBondContact O-N 2.67Å; Y116-R119 VanDerWaalsContact O-N 3.17Å; Y116-A120 PolarHBondContact O-N 2.01Å
117	P	93.4	Very high	93.8	Very high	27 Å²	27	50 Å²	50	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-53.9	-41.5	178.6	-23.9	31.5	0	0	0	114.8	Y14 W72 R119 A120 F121	Y14-P117 HydrophobicContact CD2-CG 4.16Å; Y14-P117 HydrophobicContact CE2-CG 4.34Å; W72-P117 HydrophobicContact CB-CG 3.93Å; P117-R119 VanDerWaalsContact C-N 3.27Å; P117-R119 PolarHBondContact O-N 3.43Å; P117-A120 WeakPolarHBondContact O-CA 3.22Å; P117-A120 VanDerWaalsContact O-CB 3.27Å; P117-A120 WeakPolarHBondContact O-CB 3.25Å; P117-A120 PolarHBondContact O-N 3.43Å; P117-F121 WeakPolarHBondContact O-CD2 3.27Å; P117-F121 PolarHBondContact O-N 3.17Å; P117-F121 VanDerWaalsContact O-N 3.09Å
118	P	90.8	Very high	93.9	Very high	55 Å²	55	46.3 Å²	46.3	36%	0.357	22%	0.223	S	C	.	.	H	α-helix	trans	-56.5	-40.4	177.9	-28.1	37.2	0	0	0	113.2	F27 Y116 A120 F121 L122	F27-P118 HydrophobicContact CD2-CB 3.67Å; F27-P118 HydrophobicContact CE2-CB 3.21Å; F27-P118 HydrophobicContact CE2-CG 4.47Å; F27-P118 VanDerWaalsContact CZ-C 3.47Å; F27-P118 HydrophobicContact CZ-CB 3.72Å; F27-P118 WeakPolarHBondContact CZ-O 3.43Å; Y116-P118 VanDerWaalsContact C-CD 3.47Å; P118-A120 VanDerWaalsContact C-N 3.32Å; P118-A120 PolarHBondContact O-N 3.27Å; P118-F121 PolarHBondContact O-N 3.24Å; P118-L122 PolarHBondContact O-N 3.1Å
119	R	92.7	Very high	94	Very high	57 Å²	57	46.3 Å²	46.3	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-27.1	176.2	-66.3	-170.3	-178.9	147	12.8	113.1	D23 E26 F27 I107 C108 Y116 P117 L122 Y123	D23-R119 IonicContact OD1-NH2 3.1Å; E26-R119 WeakPolarHBondContact OE1-CG 3.41Å; E26-R119 IonicContact OE1-CZ 3.38Å; E26-R119 IonicContact OE1-NE 3.34Å; E26-R119 PolarHBondContact OE1-NE 2.98Å; E26-R119 IonicContact OE1-NH2 3.52Å; E26-R119 IonicContact OE2-CZ 3.79Å; E26-R119 IonicContact OE2-NE 2.9Å; E26-R119 PolarHBondContact OE2-NE 3.27Å; E26-R119 VanDerWaalsContact OE2-NE 3.1Å; E26-R119 IonicContact OE2-NH2 3.81Å; E26-R119 PolarHBondContact OE2-NH2 3.01Å; F27-R119 HydrophobicContact CZ-CG 4.32Å; I107-R119 HydrophobicContact CG1-CB 4.49Å; I107-R119 WeakPolarHBondContact O-CD 3.24Å; C108-R119 HydrophobicContact CB-CB 4.48Å; C108-R119 PolarHBondContact SG-O 2.74Å; Y116-R119 PolarHBondContact O-N 2.67Å; Y116-R119 VanDerWaalsContact O-N 3.17Å; P117-R119 VanDerWaalsContact C-N 3.27Å; P117-R119 PolarHBondContact O-N 3.43Å; R119-L122 WeakPolarHBondContact O-CB 3.28Å; R119-L122 PolarHBondContact O-N 3.48Å; R119-Y123 WeakPolarHBondContact O-CB 3.27Å; R119-Y123 PolarHBondContact O-N 3.44Å
120	A	96.2	Very high	94.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-42.6	169.7	0	0	0	0	0	111.4	W72 A76 M80 L101 C108 Y116 P117 P118 Y123 W124	W72-A120 HydrophobicContact CE3-CB 4.22Å; W72-A120 HydrophobicContact CZ3-CB 4.11Å; A76-A120 HydrophobicContact CB-CB 3.72Å; M80-A120 VanDerWaalsContact CE-C 3.46Å; M80-A120 HydrophobicContact CE-CB 4.21Å; M80-A120 WeakPolarHBondContact CE-O 3.5Å; L101-A120 HydrophobicContact CD1-CB 4.24Å; L101-A120 HydrophobicContact CD2-CB 4.29Å; C108-A120 WeakPolarHBondContact SG-CA 3.43Å; C108-A120 PolarHBondContact SG-N 2.9Å; C108-A120 VanDerWaalsContact SG-N 3.43Å; Y116-A120 PolarHBondContact O-N 2.01Å; P117-A120 WeakPolarHBondContact O-CA 3.22Å; P117-A120 VanDerWaalsContact O-CB 3.27Å; P117-A120 WeakPolarHBondContact O-CB 3.25Å; P117-A120 PolarHBondContact O-N 3.43Å; P118-A120 VanDerWaalsContact C-N 3.32Å; P118-A120 PolarHBondContact O-N 3.27Å; A120-Y123 PolarHBondContact O-N 3.17Å; A120-W124 PolarHBondContact O-N 3.1Å
121	F	94.4	Very high	94.2	Very high	68 Å²	68	39.8 Å²	39.8	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-38	172.1	-69	-73.1	0	0	0	112.4	A76 V79 M80 P117 P118 W124 W125	A76-F121 HydrophobicContact CB-CE2 4.16Å; A76-F121 HydrophobicContact CB-CZ 4.2Å; V79-F121 HydrophobicContact CB-CE1 4.19Å; V79-F121 HydrophobicContact CB-CZ 3.94Å; V79-F121 HydrophobicContact CG1-CE1 3.9Å; V79-F121 HydrophobicContact CG1-CZ 3.85Å; M80-F121 HydrophobicContact CE-CD1 3.74Å; M80-F121 HydrophobicContact CE-CE1 4.1Å; M80-F121 HydrophobicContact CE-CG 4.16Å; M80-F121 HydrophobicContact CG-CD1 4.06Å; M80-F121 HydrophobicContact CG-CE1 3.84Å; P117-F121 WeakPolarHBondContact O-CD2 3.27Å; P117-F121 PolarHBondContact O-N 3.17Å; P117-F121 VanDerWaalsContact O-N 3.09Å; P118-F121 PolarHBondContact O-N 3.24Å; F121-W124 HydrophobicContact CD1-CE3 4.03Å; F121-W124 HydrophobicContact CD1-CZ3 4.29Å; F121-W124 PolarHBondContact O-N 2.89Å; F121-W125 PolarHBondContact O-N 3.25Å
122	L	92.6	Very high	94.2	Very high	49 Å²	49	39.7 Å²	39.7	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-60.7	-46.1	172.5	-172.6	53.5	0	0	0	112.1	F27 I107 P118 R119 W124 W125 L126	F27-L122 HydrophobicContact CE1-CB 3.81Å; F27-L122 HydrophobicContact CE1-CD1 4.33Å; F27-L122 HydrophobicContact CE1-CD2 4.13Å; F27-L122 HydrophobicContact CE1-CG 4.3Å; F27-L122 HydrophobicContact CZ-CB 4.05Å; F27-L122 HydrophobicContact CZ-CD2 4.16Å; I107-L122 HydrophobicContact CD1-CD2 4.17Å; I107-L122 HydrophobicContact CD1-CG 4.44Å; P118-L122 PolarHBondContact O-N 3.1Å; R119-L122 WeakPolarHBondContact O-CB 3.28Å; R119-L122 PolarHBondContact O-N 3.48Å; L122-W124 VanDerWaalsContact C-N 3.32Å; L122-W124 PolarHBondContact O-N 2.88Å; L122-W125 WeakPolarHBondContact O-CB 3.16Å; L122-W125 PolarHBondContact O-N 3.34Å; L122-W125 VanDerWaalsContact O-N 3.15Å; L122-L126 HydrophobicContact CD1-CD1 3.97Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 3.88Å; L122-L126 HydrophobicContact CG-CG 4.45Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 2.93Å
123	Y	95.6	Very high	94.2	Very high	20 Å²	20	40 Å²	40	8%	0.078	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-45	176.9	-177.1	-84	0	0	0	111.1	E100 L101 C105 R119 A120 W125 L126 Y127 G128 V129	E100-Y123 HydrophobicContact CG-CE1 4.2Å; E100-Y123 PolarHBondContact OE1-OH 3.31Å; L101-Y123 HydrophobicContact CD2-CD1 3.78Å; L101-Y123 HydrophobicContact CD2-CE1 4.46Å; L101-Y123 HydrophobicContact CD2-CG 4.41Å; C105-Y123 HydrophobicContact CB-CD2 3.7Å; C105-Y123 HydrophobicContact CB-CE2 4.07Å; C105-Y123 HydrophobicContact CB-CG 3.97Å; C105-Y123 WeakPolarHBondContact SG-CD2 3.13Å; R119-Y123 WeakPolarHBondContact O-CB 3.27Å; R119-Y123 PolarHBondContact O-N 3.44Å; A120-Y123 PolarHBondContact O-N 3.17Å; Y123-W125 VanDerWaalsContact C-N 3.29Å; Y123-W125 PolarHBondContact O-N 3.06Å; Y123-L126 PolarHBondContact O-N 2.98Å; Y123-Y127 AromaticContact CD2-CD2 3.57Å; Y123-Y127 HydrophobicContact CD2-CD2 3.57Å; Y123-Y127 HydrophobicContact CD2-CE2 4.24Å; Y123-Y127 HydrophobicContact CD2-CG 4.38Å; Y123-Y127 AromaticContact CE2-CD2 3.7Å; Y123-Y127 HydrophobicContact CE2-CD2 3.7Å; Y123-Y127 HydrophobicContact CE2-CE2 4.45Å; Y123-Y127 HydrophobicContact CE2-CG 4.13Å; Y123-Y127 HydrophobicContact CG-CD2 4.12Å; Y123-Y127 PolarHBondContact O-N 2.68Å; Y123-G128 WeakPolarHBondContact CE1-O 3.45Å; Y123-G128 PolarHBondContact O-N 3.48Å; Y123-V129 HydrophobicContact CD1-CG2 4.21Å; Y123-V129 HydrophobicContact CE1-CG2 4.43Å
124	W	96.4	Very high	94.2	Very high	17 Å²	17	37.1 Å²	37.1	6%	0.064	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-36.9	174.9	177.1	48.3	0	0	0	113	M80 R83 L96 A120 F121 L122 G128 V129 H178 G180 Y183	M80-W124 HydrophobicContact CB-CD2 4.07Å; M80-W124 HydrophobicContact CB-CE3 4.26Å; M80-W124 HydrophobicContact CB-CH2 4.12Å; M80-W124 HydrophobicContact CB-CZ2 3.95Å; M80-W124 HydrophobicContact CB-CZ3 4.27Å; M80-W124 HydrophobicContact CE-CB 3.6Å; M80-W124 HydrophobicContact CE-CD2 4.4Å; M80-W124 HydrophobicContact CE-CE3 4.4Å; M80-W124 HydrophobicContact CE-CG 4.14Å; M80-W124 HydrophobicContact CG-CD2 3.59Å; M80-W124 HydrophobicContact CG-CE3 3.57Å; M80-W124 HydrophobicContact CG-CG 4.06Å; M80-W124 HydrophobicContact CG-CH2 4.26Å; M80-W124 HydrophobicContact CG-CZ2 4.31Å; M80-W124 HydrophobicContact CG-CZ3 3.9Å; M80-W124 HydrophobicContact SD-CB 3.82Å; M80-W124 HydrophobicContact SD-CD2 4.01Å; M80-W124 HydrophobicContact SD-CE3 4.38Å; M80-W124 HydrophobicContact SD-CG 3.8Å; R83-W124 HydrophobicContact CB-CH2 4.37Å; L96-W124 HydrophobicContact CD1-CZ2 4.44Å; A120-W124 PolarHBondContact O-N 3.1Å; F121-W124 HydrophobicContact CD1-CE3 4.03Å; F121-W124 HydrophobicContact CD1-CZ3 4.29Å; F121-W124 PolarHBondContact O-N 2.89Å; L122-W124 VanDerWaalsContact C-N 3.32Å; L122-W124 PolarHBondContact O-N 2.88Å; W124-G128 VanDerWaalsContact O-CA 3.29Å; W124-G128 WeakPolarHBondContact O-CA 3.3Å; W124-G128 PolarHBondContact O-N 3.49Å; W124-V129 HydrophobicContact CB-CG2 3.96Å; W124-V129 HydrophobicContact CG-CG2 4.22Å; W124-H178 PolarHBondContact NE1-O 3.38Å; W124-G180 VanDerWaalsContact CD2-CA 3.4Å; W124-G180 PolarHBondContact O-N 2.99Å; W124-G180 VanDerWaalsContact O-N 3.09Å; W124-Y183 HydrophobicContact CH2-CD2 4.38Å; W124-Y183 AromaticContact CZ2-CD2 3.72Å; W124-Y183 HydrophobicContact CZ2-CD2 3.72Å; W124-Y183 HydrophobicContact CZ2-CE2 4.31Å
125	W	93.4	Very high	94.2	Very high	140 Å²	140	42.9 Å²	42.9	53%	0.53	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-45.9	175.9	-171.4	94.6	0	0	0	112.4	F121 L122 Y123	F121-W125 PolarHBondContact O-N 3.25Å; L122-W125 WeakPolarHBondContact O-CB 3.16Å; L122-W125 PolarHBondContact O-N 3.34Å; L122-W125 VanDerWaalsContact O-N 3.15Å; Y123-W125 VanDerWaalsContact C-N 3.29Å; Y123-W125 PolarHBondContact O-N 3.06Å
126	L	92.8	Very high	94.1	Very high	75 Å²	75	45.6 Å²	45.6	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-77.2	-49.5	-175.6	-71.8	172.1	0	0	0	113.4	L122 Y123	L122-L126 HydrophobicContact CD1-CD1 3.97Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 3.88Å; L122-L126 HydrophobicContact CG-CG 4.45Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 2.93Å; Y123-L126 PolarHBondContact O-N 2.98Å
127	Y	93.7	Very high	94	Very high	130 Å²	130	43.4 Å²	43.4	51%	0.51	22%	0.22	S	C	.	.	H	α-helix	trans	-113.4	-10.7	-166.9	-58.3	-72.5	0	0	0	113.4	Y123 R177 F179	Y123-Y127 AromaticContact CD2-CD2 3.57Å; Y123-Y127 HydrophobicContact CD2-CD2 3.57Å; Y123-Y127 HydrophobicContact CD2-CE2 4.24Å; Y123-Y127 HydrophobicContact CD2-CG 4.38Å; Y123-Y127 AromaticContact CE2-CD2 3.7Å; Y123-Y127 HydrophobicContact CE2-CD2 3.7Å; Y123-Y127 HydrophobicContact CE2-CE2 4.45Å; Y123-Y127 HydrophobicContact CE2-CG 4.13Å; Y123-Y127 HydrophobicContact CG-CD2 4.12Å; Y123-Y127 PolarHBondContact O-N 2.68Å; Y127-R177 WeakPolarHBondContact O-CD 3.37Å; Y127-R177 PolarHBondContact O-NH1 2.69Å; Y127-F179 VanDerWaalsContact C-CE1 3.44Å
128	G	94.6	Very high	93.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.			trans	66.2	171	-170.4	0	0	0	0	0	112.7	Y123 W124 R177 H178	Y123-G128 WeakPolarHBondContact CE1-O 3.45Å; Y123-G128 PolarHBondContact O-N 3.48Å; W124-G128 VanDerWaalsContact O-CA 3.29Å; W124-G128 WeakPolarHBondContact O-CA 3.3Å; W124-G128 PolarHBondContact O-N 3.49Å; G128-R177 PolarHBondContact O-NH1 2.84Å; G128-H178 CarbonylContact C-O 3.59Å; G128-H178 WeakPolarHBondContact CA-O 3.49Å
129	V	96	Very high	93.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-131.2	132.5	177.4	179.1	0	0	0	0	107.7	M80 L96 S97 E100 L101 Y123 W124 H178	M80-V129 HydrophobicContact SD-CG2 4.29Å; L96-V129 HydrophobicContact CB-CB 4.46Å; L96-V129 HydrophobicContact CB-CG1 3.98Å; S97-V129 WeakPolarHBondContact O-CG1 3.13Å; E100-V129 HydrophobicContact CB-CG1 4.34Å; L101-V129 HydrophobicContact CD2-CG2 3.8Å; L101-V129 HydrophobicContact CG-CG2 4.4Å; Y123-V129 HydrophobicContact CD1-CG2 4.21Å; Y123-V129 HydrophobicContact CE1-CG2 4.43Å; W124-V129 HydrophobicContact CB-CG2 3.96Å; W124-V129 HydrophobicContact CG-CG2 4.22Å; V129-H178 PolarHBondContact N-O 3.2Å; V129-H178 PolarHBondContact O-N 3.18Å
130	P	95.3	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.			trans	-74.7	171.1	176.1	34.5	-34.9	0	0	0	111.4	S97 E100 C141 K142 L173 D176	S97-P130 WeakPolarHBondContact CB-O 3.23Å; S97-P130 PolarHBondContact N-O 3.18Å; E100-P130 HydrophobicContact CB-CG 4.03Å; E100-P130 HydrophobicContact CG-CG 4.12Å; P130-C141 HydrophobicContact CB-CB 4.04Å; P130-K142 HydrophobicContact CG-CB 4.46Å; P130-L173 HydrophobicContact CB-CD2 4.05Å; P130-L173 HydrophobicContact CG-CD2 4.19Å; P130-D176 WeakPolarHBondContact CA-O 3.01Å
131	T	96.1	Very high	93.4	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.049	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-66	146.8	172.2	62.4	0	0	0	0	111.5	V94 F95 C141 K142 Y169 D176	V94-T131 HydrophobicContact CB-CG2 4.04Å; V94-T131 HydrophobicContact CG1-CG2 4.38Å; V94-T131 HydrophobicContact CG2-CG2 4.2Å; F95-T131 CarbonylContact O-C 3.49Å; F95-T131 WeakPolarHBondContact O-CA 3.41Å; T131-C141 WeakPolarHBondContact O-CB 3.38Å; T131-C141 PolarHBondContact O-N 2.79Å; T131-C141 PolarHBondContact OG1-N 3.1Å; T131-K142 PolarHBondContact O-N 3.27Å; T131-Y169 PolarHBondContact OG1-OH 3.16Å; T131-Y169 VanDerWaalsContact OG1-OH 3.14Å; T131-D176 WeakPolarHBondContact CB-OD2 2.83Å; T131-D176 WeakPolarHBondContact CG2-OD2 3.45Å; T131-D176 PolarHBondContact N-OD2 3.16Å; T131-D176 PolarHBondContact OG1-OD2 3.49Å
132	G	95.4	Very high	93.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	23%	0.234	C	C	.	.			trans	-160.7	122.1	176.9	0	0	0	0	0	111.2	F95 T140 K142	F95-G132 VanDerWaalsContact CB-O 3.28Å; F95-G132 WeakPolarHBondContact CB-O 3.21Å; F95-G132 PolarHBondContact O-N 2.79Å; G132-T140 WeakPolarHBondContact CA-OG1 3.44Å; G132-K142 VanDerWaalsContact CA-O 3.27Å; G132-K142 WeakPolarHBondContact CA-O 3.38Å
133	G	93.8	Very high	93.5	Very high	7 Å²	7	44 Å²	44	7%	0.072	23%	0.226	C	C	.	.			trans	-94.6	-176.9	177	0	0	0	0	0	112.6	S137 T140 P143 Y144	G133-S137 VanDerWaalsContact C-OG 3.29Å; G133-S137 WeakPolarHBondContact CA-OG 3.44Å; G133-T140 PolarHBondContact N-OG1 2.83Å; G133-P143 CarbonylContact O-C 3.59Å; G133-P143 VanDerWaalsContact O-CA 3.27Å; G133-P143 WeakPolarHBondContact O-CA 3.24Å; G133-P143 WeakPolarHBondContact O-CB 3.47Å; G133-Y144 PolarHBondContact O-N 2.94Å
134	S	94.8	Very high	93.4	Very high	53 Å²	53	43.3 Å²	43.3	37%	0.371	22%	0.224	S	C	.	.	S	Bend	trans	-63.4	165.8	175.9	-45.9	0	0	0	0	112.1	H61 G136 S137	H61-S134 PolarHBondContact NE2-OG 2.8Å; S134-G136 PolarHBondContact O-N 2.03Å; S134-S137 PolarHBondContact N-OG 3.17Å; S134-S137 VanDerWaalsContact O-CB 3.3Å; S134-S137 WeakPolarHBondContact O-CB 3.47Å; S134-S137 PolarHBondContact O-N 3.38Å; S134-S137 PolarHBondContact O-OG 2.88Å
135	Y	93.8	Very high	93.3	Very high	124 Å²	124	45.5 Å²	45.5	49%	0.486	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	131.5	173	175.9	-94.4	0	0	0	112.8	S137 Y144 S145 A147	Y135-S137 VanDerWaalsContact C-N 3.3Å; Y135-S137 PolarHBondContact O-N 3.2Å; Y135-Y144 VanDerWaalsContact CA-O 3.24Å; Y135-Y144 WeakPolarHBondContact CA-O 3.27Å; Y135-S145 WeakPolarHBondContact CE2-O 3.45Å; Y135-A147 HydrophobicContact CD1-CB 4.19Å; Y135-A147 HydrophobicContact CD2-CB 4.12Å; Y135-A147 HydrophobicContact CE1-CB 3.8Å; Y135-A147 HydrophobicContact CE2-CB 3.72Å; Y135-A147 HydrophobicContact CG-CB 4.34Å
136	G	91.1	Very high	93.3	Very high	56 Å²	56	39.7 Å²	39.7	58%	0.577	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-2.6	-179.4	0	0	0	0	0	115.2	S134	S134-G136 PolarHBondContact O-N 2.03Å
137	S	91	Very high	93.3	Very high	24 Å²	24	38.2 Å²	38.2	17%	0.168	22%	0.22	C	C	.	.			trans	-71.1	145.1	169	63.6	0	0	0	0	110.9	G133 S134 Y135 D139 P143	G133-S137 VanDerWaalsContact C-OG 3.29Å; G133-S137 WeakPolarHBondContact CA-OG 3.44Å; S134-S137 PolarHBondContact N-OG 3.17Å; S134-S137 VanDerWaalsContact O-CB 3.3Å; S134-S137 WeakPolarHBondContact O-CB 3.47Å; S134-S137 PolarHBondContact O-N 3.38Å; S134-S137 PolarHBondContact O-OG 2.88Å; Y135-S137 VanDerWaalsContact C-N 3.3Å; Y135-S137 PolarHBondContact O-N 3.2Å; S137-D139 WeakPolarHBondContact CB-OD1 3.48Å; S137-P143 VanDerWaalsContact O-CG 3.3Å; S137-P143 WeakPolarHBondContact O-CG 3.04Å; S137-P143 WeakPolarHBondContact OG-CB 3.27Å
138	N	89.4	Confident	93.1	Very high	103 Å²	103	35.9 Å²	35.9	55%	0.551	22%	0.22	S	C	*	.			trans	-127.4	6.6	-177.3	-65.3	-25.7	0	0	0	112.4	V166	N138-V166 HydrophobicContact CB-CG1 4.26Å; N138-V166 WeakPolarHBondContact OD1-CG1 3.42Å
139	D	88.1	Confident	92.2	Very high	121 Å²	121	37.2 Å²	37.2	65%	0.647	23%	0.229	S	C	*	.	S	Bend	trans	-106.2	10.9	-174.5	63.6	-26.4	0	0	0	112.8	S137 Y169	S137-D139 WeakPolarHBondContact CB-OD1 3.48Å; D139-Y169 VanDerWaalsContact O-CE2 3.23Å; D139-Y169 WeakPolarHBondContact O-CE2 3.13Å
140	T	91.2	Very high	91.1	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.08	27%	0.271	C	S	.	.	S	Bend	trans	-130.7	161.9	176.6	60.7	0	0	0	0	110.6	G132 G133	G132-T140 WeakPolarHBondContact CA-OG1 3.44Å; G133-T140 PolarHBondContact N-OG1 2.83Å
141	C	92.1	Very high	89.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	31%	0.311	C	S	.	.	S	Bend	trans	-65	-47.3	-174.6	-174.6	0	0	0	0	113.2	P130 T131 Y169 L173 D176	P130-C141 HydrophobicContact CB-CB 4.04Å; T131-C141 WeakPolarHBondContact O-CB 3.38Å; T131-C141 PolarHBondContact O-N 2.79Å; T131-C141 PolarHBondContact OG1-N 3.1Å; C141-Y169 HydrophobicContact CB-CD1 3.85Å; C141-Y169 HydrophobicContact CB-CE1 3.5Å; C141-L173 WeakPolarHBondContact SG-CD2 3.37Å; C141-D176 WeakPolarHBondContact CB-OD2 3.38Å
142	K	93.3	Very high	88.5	Confident	15 Å²	15	56.2 Å²	56.2	7%	0.065	32%	0.322	C	S	.	.	S	Bend	trans	-141.2	74.9	-172.5	-161.6	173.2	-178.4	174.3	0	110.7	S97 E99 E100 S103 C104 P130 T131 G132 T162	S97-K142 WeakPolarHBondContact CB-O 3.37Å; S97-K142 PolarHBondContact OG-O 3.29Å; E99-K142 HydrophobicContact CB-CG 4.05Å; E99-K142 HydrophobicContact CG-CD 4.21Å; E99-K142 HydrophobicContact CG-CG 3.78Å; E100-K142 HydrophobicContact CB-CD 4.19Å; E100-K142 WeakPolarHBondContact OE2-CD 3.33Å; E100-K142 IonicContact OE2-NZ 2.74Å; E100-K142 PolarHBondContact OE2-NZ 2.88Å; S103-K142 WeakPolarHBondContact OG-CE 3.45Å; S103-K142 PolarHBondContact OG-NZ 3.42Å; C104-K142 PolarHBondContact SG-NZ 3.02Å; P130-K142 HydrophobicContact CG-CB 4.46Å; T131-K142 PolarHBondContact O-N 3.27Å; G132-K142 VanDerWaalsContact CA-O 3.27Å; G132-K142 WeakPolarHBondContact CA-O 3.38Å; K142-T162 PolarHBondContact NZ-O 2.86Å
143	P	94.5	Very high	87.3	Confident	14 Å²	14	65.5 Å²	65.5	9%	0.091	36%	0.362	C	S	.	.			trans	-68.9	160.6	178.6	31.3	-34.8	0	0	0	111.4	G133 S137 S145 V166	G133-P143 CarbonylContact O-C 3.59Å; G133-P143 VanDerWaalsContact O-CA 3.27Å; G133-P143 WeakPolarHBondContact O-CA 3.24Å; G133-P143 WeakPolarHBondContact O-CB 3.47Å; S137-P143 VanDerWaalsContact O-CG 3.3Å; S137-P143 WeakPolarHBondContact O-CG 3.04Å; S137-P143 WeakPolarHBondContact OG-CB 3.27Å; P143-S145 PolarHBondContact O-N 3.45Å; P143-V166 VanDerWaalsContact CD-CG2 3.49Å; P143-V166 HydrophobicContact CG-CG2 3.38Å
144	Y	95.4	Very high	86.4	Confident	7 Å²	7	67.2 Å²	67.2	3%	0.027	38%	0.38	C	S	.	.			trans	-63.4	127.5	-178.4	-160.2	-124.8	0	0	0	111.7	D64 Q65 S70 E98 I102 G133 Y135 I146	D64-Y144 WeakPolarHBondContact O-CE1 3.19Å; Q65-Y144 PolarHBondContact O-OH 3.14Å; S70-Y144 PolarHBondContact OG-OH 3.33Å; E98-Y144 HydrophobicContact CG-CD2 3.48Å; E98-Y144 VanDerWaalsContact CG-CD2 3.48Å; E98-Y144 HydrophobicContact CG-CE2 3.91Å; E98-Y144 HydrophobicContact CG-CG 4.21Å; I102-Y144 HydrophobicContact CD1-CD2 4.36Å; I102-Y144 HydrophobicContact CD1-CE2 3.48Å; I102-Y144 VanDerWaalsContact CD1-CE2 3.48Å; G133-Y144 PolarHBondContact O-N 2.94Å; Y135-Y144 VanDerWaalsContact CA-O 3.24Å; Y135-Y144 WeakPolarHBondContact CA-O 3.27Å; Y144-I146 HydrophobicContact CD1-CB 4.22Å; Y144-I146 WeakPolarHBondContact CD1-O 3.46Å; Y144-I146 HydrophobicContact CE1-CB 3.7Å; Y144-I146 HydrophobicContact CE1-CG1 4.36Å
145	S	94.1	Very high	85.9	Confident	63 Å²	63	67.1 Å²	67.1	44%	0.441	38%	0.376	S	S	.	.			trans	-89.6	-13	-173.3	65.1	0	0	0	0	114	E99 Y135 P143 P159	E99-S145 VanDerWaalsContact CD-OG 3.24Å; E99-S145 WeakPolarHBondContact OE1-CB 2.91Å; E99-S145 PolarHBondContact OE1-OG 3.47Å; E99-S145 PolarHBondContact OE2-N 2.96Å; E99-S145 VanDerWaalsContact OE2-N 3.14Å; E99-S145 PolarHBondContact OE2-OG 3.27Å; E99-S145 VanDerWaalsContact OE2-OG 3.13Å; Y135-S145 WeakPolarHBondContact CE2-O 3.45Å; P143-S145 PolarHBondContact O-N 3.45Å; S145-P159 VanDerWaalsContact OG-CG 3.23Å; S145-P159 WeakPolarHBondContact OG-CG 3.4Å
146	I	93.7	Very high	85.7	Confident	18 Å²	18	62.6 Å²	62.6	9%	0.092	36%	0.362	C	S	.	.	S	Bend	trans	-94.6	116.6	-174.5	-49	179.7	0	0	0	109.9	C68 Y144 P159	C68-I146 HydrophobicContact CB-CD1 3.53Å; Y144-I146 HydrophobicContact CD1-CB 4.22Å; Y144-I146 WeakPolarHBondContact CD1-O 3.46Å; Y144-I146 HydrophobicContact CE1-CB 3.7Å; Y144-I146 HydrophobicContact CE1-CG1 4.36Å; I146-P159 HydrophobicContact CD1-CG 4.19Å; I146-P159 HydrophobicContact CG1-CG 4.2Å
147	A	91.3	Very high	85.8	Confident	44 Å²	44	67.1 Å²	67.1	36%	0.364	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-63.7	140	-175.1	0	0	0	0	0	112.6	S66 Y135 C149	S66-A147 WeakPolarHBondContact CB-O 3.37Å; S66-A147 PolarHBondContact OG-O 2.76Å; Y135-A147 HydrophobicContact CD1-CB 4.19Å; Y135-A147 HydrophobicContact CD2-CB 4.12Å; Y135-A147 HydrophobicContact CE1-CB 3.8Å; Y135-A147 HydrophobicContact CE2-CB 3.72Å; Y135-A147 HydrophobicContact CG-CB 4.34Å; A147-C149 PolarHBondContact O-N 2.8Å
148	P	88.9	Confident	86.1	Confident	80 Å²	80	68.1 Å²	68.1	52%	0.519	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-51.6	133.3	175.3	-30.7	36.9	0	0	0	112.9	D64	D64-P148 WeakPolarHBondContact OD2-CB 3.38Å
149	C	77.4	Confident	86.3	Confident	28 Å²	28	64.2 Å²	64.2	19%	0.189	36%	0.358	C	S	.	.			trans	-105.4	107.5	-168.4	179.4	0	0	0	0	113.1	S66 N67 A147 C152	S66-C149 WeakPolarHBondContact OG-CB 3.42Å; N67-C149 HydrophobicContact CB-CB 4.25Å; A147-C149 PolarHBondContact O-N 2.8Å; C149-C152 HydrophobicContact CB-CB 4.21Å; C149-C152 WeakPolarHBondContact CB-SG 2.9Å; C149-C152 VanDerWaalsContact SG-CA 3.53Å; C149-C152 WeakPolarHBondContact SG-CB 3.45Å; C149-C152 PolarHBondContact SG-N 2.76Å; C149-C152 CovalentContact SG-SG 1.99Å; C149-C152 PolarHBondContact SG-SG 3.04Å
150	K	72.8	Confident	86.7	Confident	203 Å²	203	67.1 Å²	67.1	88%	0.883	37%	0.365	S	S	*	.	S	Bend	trans	-82.4	-41.5	166.2	-67.9	-174.9	-179.2	178.9	0	112.3
151	I	66.9	Low	86.8	Confident	162 Å²	162	69.2 Å²	69.2	83%	0.831	38%	0.38	S	S	*	.	S	Bend	trans	-144.8	95	-178.3	-51.8	175.8	0	0	0	108.2
152	C	68.7	Low	86.6	Confident	42 Å²	42	72.2 Å²	72.2	28%	0.284	40%	0.398	S	S	.	.			trans	-117.6	152.6	175	-51.7	0	0	0	0	110.3	N67 C149	N67-C152 HydrophobicContact CB-CB 3.86Å; N67-C152 WeakPolarHBondContact ND2-CB 3.37Å; C149-C152 HydrophobicContact CB-CB 4.21Å; C149-C152 WeakPolarHBondContact CB-SG 2.9Å; C149-C152 VanDerWaalsContact SG-CA 3.53Å; C149-C152 WeakPolarHBondContact SG-CB 3.45Å; C149-C152 PolarHBondContact SG-N 2.76Å; C149-C152 CovalentContact SG-SG 1.99Å; C149-C152 PolarHBondContact SG-SG 3.04Å
153	K	70.3	Confident	85.9	Confident	196 Å²	196	80.1 Å²	80.1	85%	0.852	43%	0.432	S	S	*	.			trans	-121.1	139.7	171.8	-65.7	-177.2	176.9	-178.3	0	107.8
154	G	76.6	Confident	84.6	Confident	44 Å²	44	86.8 Å²	86.8	45%	0.454	46%	0.462	S	S	.	.	S	Bend	trans	80.3	-178.5	-179.5	0	0	0	0	0	112.8	N10 N67	N10-G154 PolarHBondContact ND2-O 3.37Å; N67-G154 PolarHBondContact ND2-O 3.14Å; N67-G154 PolarHBondContact OD1-O 3Å
155	N	83.1	Confident	83.5	Confident	51 Å²	51	91.4 Å²	91.4	27%	0.273	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-95.6	149.5	170.7	-166	20.6	0	0	0	108.6	N10 N67 C112 D113	N10-N155 PolarHBondContact ND2-N 2.78Å; N67-N155 PolarHBondContact O-OD1 3.47Å; C112-N155 PolarHBondContact O-ND2 2.93Å; D113-N155 PolarHBondContact OD1-ND2 3.26Å
156	S	90.5	Very high	82.3	Confident	28 Å²	28	90.4 Å²	90.4	20%	0.196	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-76.4	143.8	171.4	-52.1	0	0	0	0	109.7	N67 C112	N67-S156 WeakPolarHBondContact O-CB 3.38Å; N67-S156 PolarHBondContact O-N 2.76Å; N67-S156 PolarHBondContact O-OG 3.09Å; C112-S156 WeakPolarHBondContact CB-O 3.2Å
157	D	93.3	Very high	80.8	Confident	151 Å²	151	96 Å²	96	81%	0.807	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-67.2	144.6	173.7	-66.3	-36	0	0	0	110.7	P159	D157-P159 WeakPolarHBondContact O-CD 3.17Å
158	T	95.7	Very high	79.6	Confident	45 Å²	45	101.5 Å²	101.5	28%	0.276	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-61.7	122.9	173.1	-63.1	0	0	0	0	110.1	I102 M110 C112	I102-T158 HydrophobicContact CG2-CG2 4.12Å; M110-T158 PolarHBondContact O-OG1 1.99Å; C112-T158 PolarHBondContact N-OG1 3.13Å
159	P	95.2	Very high	79	Confident	21 Å²	21	99.7 Å²	99.7	14%	0.136	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-58.9	147.6	176.1	-24.8	34.7	0	0	0	112.3	E99 S103 S145 I146 D157	E99-P159 WeakPolarHBondContact OE1-CB 3.11Å; E99-P159 VanDerWaalsContact OE1-CG 3.27Å; E99-P159 WeakPolarHBondContact OE1-CG 3.37Å; S103-P159 VanDerWaalsContact CB-O 3.22Å; S103-P159 WeakPolarHBondContact CB-O 3.01Å; S145-P159 VanDerWaalsContact OG-CG 3.23Å; S145-P159 WeakPolarHBondContact OG-CG 3.4Å; I146-P159 HydrophobicContact CD1-CG 4.19Å; I146-P159 HydrophobicContact CG1-CG 4.2Å; D157-P159 WeakPolarHBondContact O-CD 3.17Å
160	K	95	Very high	78.5	Confident	182 Å²	182	104.4 Å²	104.4	79%	0.791	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-70.9	138.7	177.5	-67.2	-176.5	-179.3	177.7	0	110.2	T162	K160-T162 PolarHBondContact O-N 2.66Å
161	C	94.2	Very high	78.2	Confident	57 Å²	57	96.2 Å²	96.2	39%	0.385	51%	0.507	S	S	.	.			trans	-63.2	108.4	169.6	-177.1	0	0	0	0	110	S103 C104	S103-C161 VanDerWaalsContact O-CB 3.3Å; S103-C161 WeakPolarHBondContact O-CB 3.31Å; C104-C161 VanDerWaalsContact CA-SG 3.59Å; C104-C161 HydrophobicContact CB-CB 4.02Å; C104-C161 WeakPolarHBondContact CB-SG 3.39Å; C104-C161 VanDerWaalsContact SG-CA 3.51Å; C104-C161 WeakPolarHBondContact SG-CB 3.46Å; C104-C161 CovalentContact SG-SG 2.04Å; C104-C161 PolarHBondContact SG-SG 2.79Å
162	T	87.5	Confident	78.4	Confident	65 Å²	65	91.8 Å²	91.8	40%	0.399	49%	0.486	S	S	.	.			trans	-103.8	151.6	172.4	65.2	0	0	0	0	110.8	K142 K160 E164	K142-T162 PolarHBondContact NZ-O 2.86Å; K160-T162 PolarHBondContact O-N 2.66Å; T162-E164 PolarHBondContact OG1-O 3.49Å
163	K	77.7	Confident	78.2	Confident	182 Å²	182	91 Å²	91	79%	0.791	48%	0.478	S	S	*	.	S	Bend	trans	-96.6	5.4	163.8	-63.8	-177.5	179.9	176.1	0	111.9	L173	K163-L173 HydrophobicContact CB-CD1 4.36Å; K163-L173 WeakPolarHBondContact O-CD1 3.47Å
164	E	68.7	Low	78.2	Confident	154 Å²	154	90 Å²	90	72%	0.72	47%	0.474	S	S	*	.			trans	-106.8	141.8	-173.9	-66	178.5	179.5	0	0	109.8	T162	T162-E164 PolarHBondContact OG1-O 3.49Å
165	W	70.9	Confident	78.6	Confident	104 Å²	104	96.2 Å²	96.2	39%	0.394	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-75.9	167.9	-174.4	-16.6	81.2	0	0	0	112.3	N167 Y169 A171 L173	W165-N167 PolarHBondContact O-N 3.44Å; W165-Y169 HydrophobicContact CE3-CD1 4.45Å; W165-A171 VanDerWaalsContact CH2-O 3.27Å; W165-A171 WeakPolarHBondContact CH2-O 3.4Å; W165-A171 WeakPolarHBondContact CZ3-O 3.07Å; W165-L173 HydrophobicContact CE3-CG 4.08Å; W165-L173 HydrophobicContact CH2-CB 3.97Å; W165-L173 HydrophobicContact CH2-CD1 4.46Å; W165-L173 HydrophobicContact CH2-CG 4.04Å; W165-L173 HydrophobicContact CZ3-CB 3.79Å; W165-L173 HydrophobicContact CZ3-CD1 4.23Å; W165-L173 HydrophobicContact CZ3-CG 3.51Å
166	V	70.3	Confident	79	Confident	42 Å²	42	94.6 Å²	94.6	26%	0.255	48%	0.48	S	S	.	.	S	Bend	trans	-65.3	128.8	148.2	179.2	0	0	0	0	108.4	N138 P143 N168 Y169	N138-V166 HydrophobicContact CB-CG1 4.26Å; N138-V166 WeakPolarHBondContact OD1-CG1 3.42Å; P143-V166 VanDerWaalsContact CD-CG2 3.49Å; P143-V166 HydrophobicContact CG-CG2 3.38Å; V166-N168 PolarHBondContact O-N 2.94Å; V166-N168 VanDerWaalsContact O-N 3.15Å; V166-Y169 PolarHBondContact O-N 3.04Å
167	N	61.8	Low	79.1	Confident	136 Å²	136	96 Å²	96	73%	0.727	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	124.4	176.7	-69.2	-33.5	0	0	0	109.6	W165	W165-N167 PolarHBondContact O-N 3.44Å
168	N	66.9	Low	79.2	Confident	158 Å²	158	90.1 Å²	90.1	85%	0.845	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	2.9	-179.4	-47.5	-48.1	0	0	0	118.3	V166 P170	V166-N168 PolarHBondContact O-N 2.94Å; V166-N168 VanDerWaalsContact O-N 3.15Å; N168-P170 WeakPolarHBondContact O-CD 3.09Å
169	Y	74.4	Confident	79.1	Confident	43 Å²	43	90.5 Å²	90.5	17%	0.169	45%	0.447	C	S	.	.			trans	-79.5	122.4	171.6	-166.1	-110.7	0	0	0	111.8	T131 D139 C141 W165 V166 A171 D176	T131-Y169 PolarHBondContact OG1-OH 3.16Å; T131-Y169 VanDerWaalsContact OG1-OH 3.14Å; D139-Y169 VanDerWaalsContact O-CE2 3.23Å; D139-Y169 WeakPolarHBondContact O-CE2 3.13Å; C141-Y169 HydrophobicContact CB-CD1 3.85Å; C141-Y169 HydrophobicContact CB-CE1 3.5Å; W165-Y169 HydrophobicContact CE3-CD1 4.45Å; V166-Y169 PolarHBondContact O-N 3.04Å; Y169-A171 HydrophobicContact CD1-CB 4.09Å; Y169-A171 HydrophobicContact CE1-CB 3.5Å; Y169-A171 VanDerWaalsContact CE1-CB 3.5Å; Y169-D176 PolarHBondContact OH-OD1 2.64Å; Y169-D176 VanDerWaalsContact OH-OD1 3.14Å
170	P	67.8	Low	78.9	Confident	127 Å²	127	90.1 Å²	90.1	83%	0.825	45%	0.447	S	S	*	.			trans	-85	-8.7	-167.5	31.9	-35.7	0	0	0	115.4	N168	N168-P170 WeakPolarHBondContact O-CD 3.09Å
171	A	66.8	Low	78.5	Confident	30 Å²	30	86.7 Å²	86.7	25%	0.248	43%	0.431	C	S	.	.	S	Bend	trans	-90.4	149.1	-172.7	0	0	0	0	0	112.4	W165 Y169 D176	W165-A171 VanDerWaalsContact CH2-O 3.27Å; W165-A171 WeakPolarHBondContact CH2-O 3.4Å; W165-A171 WeakPolarHBondContact CZ3-O 3.07Å; Y169-A171 HydrophobicContact CD1-CB 4.09Å; Y169-A171 HydrophobicContact CE1-CB 3.5Å; Y169-A171 VanDerWaalsContact CE1-CB 3.5Å; A171-D176 HydrophobicContact CB-CB 4.35Å
172	D	70.2	Confident	77.8	Confident	70 Å²	70	89.4 Å²	89.4	37%	0.374	44%	0.442	S	S	.	.			trans	-75.9	130.6	170	175	-6.6	0	0	0	109.7	K174 K175 D176	D172-K174 PolarHBondContact O-N 3.42Å; D172-K174 VanDerWaalsContact O-N 3.09Å; D172-K174 PolarHBondContact OD1-N 2.95Å; D172-K175 HydrophobicContact CB-CB 4.19Å; D172-K175 HydrophobicContact CB-CD 3.96Å; D172-K175 HydrophobicContact CB-CG 3.9Å; D172-K175 CarbonylContact O-C 3.5Å; D172-K175 VanDerWaalsContact O-CA 3.29Å; D172-K175 WeakPolarHBondContact O-CA 3.34Å; D172-K175 WeakPolarHBondContact O-CB 3.24Å; D172-K175 PolarHBondContact O-N 3.32Å; D172-D176 PolarHBondContact O-N 2.84Å
173	L	64.6	Low	77.1	Confident	25 Å²	25	88 Å²	88	13%	0.131	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.6	-178	-101.1	170.4	0	0	0	111.7	P130 C141 K163 W165 K175 R177	P130-L173 HydrophobicContact CB-CD2 4.05Å; P130-L173 HydrophobicContact CG-CD2 4.19Å; C141-L173 WeakPolarHBondContact SG-CD2 3.37Å; K163-L173 HydrophobicContact CB-CD1 4.36Å; K163-L173 WeakPolarHBondContact O-CD1 3.47Å; W165-L173 HydrophobicContact CE3-CG 4.08Å; W165-L173 HydrophobicContact CH2-CB 3.97Å; W165-L173 HydrophobicContact CH2-CD1 4.46Å; W165-L173 HydrophobicContact CH2-CG 4.04Å; W165-L173 HydrophobicContact CZ3-CB 3.79Å; W165-L173 HydrophobicContact CZ3-CD1 4.23Å; W165-L173 HydrophobicContact CZ3-CG 3.51Å; L173-K175 VanDerWaalsContact C-N 3.28Å; L173-R177 WeakPolarHBondContact O-CG 2.88Å
174	K	71.8	Confident	76.4	Confident	176 Å²	176	87.7 Å²	87.7	77%	0.765	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-28.7	176.4	-68.4	-177.1	178.6	179.4	0	112	D172	D172-K174 PolarHBondContact O-N 3.42Å; D172-K174 VanDerWaalsContact O-N 3.09Å; D172-K174 PolarHBondContact OD1-N 2.95Å
175	K	83.4	Confident	75.8	Confident	173 Å²	173	84.8 Å²	84.8	75%	0.752	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-27.3	178.1	-60.9	-175.8	-173.8	176.2	0	112.6	D172 L173 R177	D172-K175 HydrophobicContact CB-CB 4.19Å; D172-K175 HydrophobicContact CB-CD 3.96Å; D172-K175 HydrophobicContact CB-CG 3.9Å; D172-K175 CarbonylContact O-C 3.5Å; D172-K175 VanDerWaalsContact O-CA 3.29Å; D172-K175 WeakPolarHBondContact O-CA 3.34Å; D172-K175 WeakPolarHBondContact O-CB 3.24Å; D172-K175 PolarHBondContact O-N 3.32Å; L173-K175 VanDerWaalsContact C-N 3.28Å; K175-R177 VanDerWaalsContact C-N 3.3Å; K175-R177 PolarHBondContact O-N 3.38Å
176	D	91.7	Very high	74.5	Confident	17 Å²	17	88.1 Å²	88.1	9%	0.091	47%	0.466	C	S	.	.	S	Bend	trans	-85.1	1.8	-179.6	-162.1	57.9	0	0	0	113.8	P130 T131 C141 Y169 A171 D172 H178	P130-D176 WeakPolarHBondContact CA-O 3.01Å; T131-D176 WeakPolarHBondContact CB-OD2 2.83Å; T131-D176 WeakPolarHBondContact CG2-OD2 3.45Å; T131-D176 PolarHBondContact N-OD2 3.16Å; T131-D176 PolarHBondContact OG1-OD2 3.49Å; C141-D176 WeakPolarHBondContact CB-OD2 3.38Å; Y169-D176 PolarHBondContact OH-OD1 2.64Å; Y169-D176 VanDerWaalsContact OH-OD1 3.14Å; A171-D176 HydrophobicContact CB-CB 4.35Å; D172-D176 PolarHBondContact O-N 2.84Å; D176-H178 PolarHBondContact O-CD2 3.25Å; D176-H178 PolarHBondContact O-N 3.1Å
177	R	93	Very high	74.7	Confident	57 Å²	57	90.4 Å²	90.4	22%	0.215	48%	0.477	C	S	.	.			trans	-81	122.2	-179.5	-84.9	171.9	178.3	-83.9	-7.5	112.1	E100 Y127 G128 L173 K175 F179	E100-R177 IonicContact OE1-CZ 3.65Å; E100-R177 IonicContact OE1-NH1 3.81Å; E100-R177 IonicContact OE1-NH2 2.65Å; E100-R177 PolarHBondContact OE1-NH2 3.23Å; Y127-R177 WeakPolarHBondContact O-CD 3.37Å; Y127-R177 PolarHBondContact O-NH1 2.69Å; G128-R177 PolarHBondContact O-NH1 2.84Å; L173-R177 WeakPolarHBondContact O-CG 2.88Å; K175-R177 VanDerWaalsContact C-N 3.3Å; K175-R177 PolarHBondContact O-N 3.38Å; R177-F179 HydrophobicContact CB-CE2 3.88Å; R177-F179 HydrophobicContact CB-CZ 4.25Å; R177-F179 WeakPolarHBondContact O-CD2 3.23Å; R177-F179 WeakPolarHBondContact O-CE2 3.41Å
178	H	95.2	Very high	75.4	Confident	28 Å²	28	88 Å²	88	13%	0.13	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-95.9	124.1	173.3	-63.9	-92.8	0	0	0	109.9	L96 W124 G128 V129 D176 Y183	L96-H178 HydrophobicContact CD1-CB 4.28Å; L96-H178 HydrophobicContact CD2-CB 3.68Å; W124-H178 PolarHBondContact NE1-O 3.38Å; G128-H178 CarbonylContact C-O 3.59Å; G128-H178 WeakPolarHBondContact CA-O 3.49Å; V129-H178 PolarHBondContact N-O 3.2Å; V129-H178 PolarHBondContact O-N 3.18Å; D176-H178 PolarHBondContact O-CD2 3.25Å; D176-H178 PolarHBondContact O-N 3.1Å; H178-Y183 HydrophobicContact CB-CE2 4.18Å; H178-Y183 PolarHBondContact ND1-OH 3.08Å
179	F	94.7	Very high	75.8	Confident	54 Å²	54	84.1 Å²	84.1	24%	0.237	44%	0.442	C	S	.	.			trans	-104.1	131.4	-175.1	-66.2	-100.7	0	0	0	111.7	Y127 R177 K181 L182 Y183	Y127-F179 VanDerWaalsContact C-CE1 3.44Å; R177-F179 HydrophobicContact CB-CE2 3.88Å; R177-F179 HydrophobicContact CB-CZ 4.25Å; R177-F179 WeakPolarHBondContact O-CD2 3.23Å; R177-F179 WeakPolarHBondContact O-CE2 3.41Å; F179-K181 HydrophobicContact CB-CG 4.06Å; F179-K181 PolarHBondContact O-N 3.39Å; F179-K181 VanDerWaalsContact O-N 3.11Å; F179-L182 HydrophobicContact CB-CD1 4.13Å; F179-L182 HydrophobicContact CB-CG 4.16Å; F179-L182 HydrophobicContact CD2-CD1 4.49Å; F179-L182 WeakPolarHBondContact O-CB 3.5Å; F179-L182 PolarHBondContact O-N 3.34Å; F179-Y183 VanDerWaalsContact O-CD2 3.25Å; F179-Y183 WeakPolarHBondContact O-CD2 3.41Å; F179-Y183 WeakPolarHBondContact O-CE2 3.35Å
180	G	90.1	Very high	75.9	Confident	13 Å²	13	86.5 Å²	86.5	13%	0.134	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-57.8	-29.9	-178.9	0	0	0	0	0	114.7	W124 L182 Y183	W124-G180 VanDerWaalsContact CD2-CA 3.4Å; W124-G180 PolarHBondContact O-N 2.99Å; W124-G180 VanDerWaalsContact O-N 3.09Å; G180-L182 PolarHBondContact O-N 3.4Å; G180-Y183 PolarHBondContact O-N 3.25Å
181	K	86	Confident	76.4	Confident	109 Å²	109	84 Å²	84	47%	0.474	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-63.6	-19.8	177.1	69.5	-173.7	176	-175.6	0	114.7	F179	F179-K181 HydrophobicContact CB-CG 4.06Å; F179-K181 PolarHBondContact O-N 3.39Å; F179-K181 VanDerWaalsContact O-N 3.11Å
182	L	80.5	Confident	77.1	Confident	114 Å²	114	87.6 Å²	87.6	60%	0.597	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-82.1	-18.8	-178.7	-61.1	176	0	0	0	112.5	F179 G180	F179-L182 HydrophobicContact CB-CD1 4.13Å; F179-L182 HydrophobicContact CB-CG 4.16Å; F179-L182 HydrophobicContact CD2-CD1 4.49Å; F179-L182 WeakPolarHBondContact O-CB 3.5Å; F179-L182 PolarHBondContact O-N 3.34Å; G180-L182 PolarHBondContact O-N 3.4Å
183	Y	72	Confident	77.6	Confident	37 Å²	37	88.9 Å²	88.9	15%	0.145	45%	0.453	C	S	.	.			trans	-109.6	56	-169.7	-57.1	-66.7	0	0	0	111.3	T84 A87 W124 H178 F179 G180 L185	T84-Y183 HydrophobicContact CG2-CD1 4.33Å; T84-Y183 HydrophobicContact CG2-CE1 3.68Å; T84-Y183 HydrophobicContact CG2-CE2 3.94Å; T84-Y183 VanDerWaalsContact CG2-CZ 3.44Å; A87-Y183 HydrophobicContact CB-CD1 4.08Å; A87-Y183 HydrophobicContact CB-CG 4.35Å; W124-Y183 HydrophobicContact CH2-CD2 4.38Å; W124-Y183 AromaticContact CZ2-CD2 3.72Å; W124-Y183 HydrophobicContact CZ2-CD2 3.72Å; W124-Y183 HydrophobicContact CZ2-CE2 4.31Å; H178-Y183 HydrophobicContact CB-CE2 4.18Å; H178-Y183 PolarHBondContact ND1-OH 3.08Å; F179-Y183 VanDerWaalsContact O-CD2 3.25Å; F179-Y183 WeakPolarHBondContact O-CD2 3.41Å; F179-Y183 WeakPolarHBondContact O-CE2 3.35Å; G180-Y183 PolarHBondContact O-N 3.25Å; Y183-L185 PolarHBondContact O-N 2.8Å
184	K	64.8	Low	78.6	Confident	175 Å²	175	93.8 Å²	93.8	76%	0.761	48%	0.478	S	S	*	.			trans	-68.6	127.4	170.1	-65.7	-173.1	178.4	-173.9	0	108.2	A186	K184-A186 PolarHBondContact O-N 3.32Å
185	L	55.8	Low	79.1	Confident	93 Å²	93	86.9 Å²	86.9	49%	0.487	45%	0.454	S	S	.	.			trans	-67	119.7	163.4	-65.6	176.2	0	0	0	106.1	I86 A87 Y183	I86-L185 HydrophobicContact CG2-CD2 3.62Å; A87-L185 HydrophobicContact CB-CD2 4.4Å; Y183-L185 PolarHBondContact O-N 2.8Å
186	A	42.6	Very low	78.7	Confident	173 Å²	173	79.1 Å²	79.1	100%	1.43	43%	0.427	S	S	*	.			trans	-64.8	0	171.1	0	0	0	0	0	110.7	K184	K184-A186 PolarHBondContact O-N 3.32Å

Retrieved 186 of 186 residues in 100.9 ms (Link to these results)

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