A0A077ZCZ5_TRITR Loading...

RhoGAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 277 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	35	Very low	32.1	Very low	243 Å²	243	129.5 Å²	129.5	100%	1.197	69%	0.689	S	S	*	*				0	20.5	0	-79.9	174.6	142.6	0	0	113.9
2	T	31.9	Very low	32.1	Very low	126 Å²	126	123.5 Å²	123.5	77%	0.773	67%	0.665	S	S	*	*			trans	-109.9	6.3	-171.7	42.8	0	0	0	0	115.9	S4	T2-S4 PolarHBondContact O-N 3.47Å
3	S	32.5	Very low	32.3	Very low	112 Å²	112	123.7 Å²	123.7	78%	0.783	66%	0.656	S	S	*	*	H	α-helix	trans	-80.4	-12.7	-173.1	-114.2	0	0	0	0	116.2
4	S	33.4	Very low	32.3	Very low	102 Å²	102	123.6 Å²	123.6	71%	0.713	65%	0.65	S	S	*	*	H	α-helix	trans	-83.6	-28.5	-173.9	-170.8	0	0	0	0	113.7	T2	T2-S4 PolarHBondContact O-N 3.47Å
5	C	29.1	Very low	32.5	Very low	107 Å²	107	117.2 Å²	117.2	72%	0.723	62%	0.616	S	S	*	*	H	α-helix	trans	-78.1	-28.4	-176.5	-65.5	0	0	0	0	113.7
6	Y	27	Very low	32.6	Very low	205 Å²	205	113.9 Å²	113.9	80%	0.804	60%	0.598	S	S	*	*	H	α-helix	trans	-72.5	-29.4	-180	-106	-93.5	0	0	0	113.2
7	H	31.1	Very low	32.7	Very low	139 Å²	139	112.3 Å²	112.3	64%	0.644	59%	0.589	S	S	*	*	H	α-helix	trans	-80.3	-27.9	-174.4	-142.7	-26.3	0	0	0	113.6	S9 S10	H7-S9 VanDerWaalsContact C-N 3.35Å; H7-S10 PolarHBondContact O-N 3.49Å
8	R	32.1	Very low	32.7	Very low	208 Å²	208	112.8 Å²	112.8	79%	0.785	59%	0.586	S	S	*	*	H	α-helix	trans	-68.3	-31.9	174.5	-107.1	-177.9	-170.6	-143.5	3.2	112.6	S10 S12	R8-S10 VanDerWaalsContact C-N 3.34Å; R8-S10 PolarHBondContact O-N 2.99Å; R8-S12 PolarHBondContact O-OG 3.49Å
9	S	33.2	Very low	32.7	Very low	56 Å²	56	109.9 Å²	109.9	39%	0.392	57%	0.574	S	S	.	*	H	α-helix	trans	-68.4	-28.8	178.3	-178.7	0	0	0	0	113.5	H7 S12 K13	H7-S9 VanDerWaalsContact C-N 3.35Å; S9-S12 PolarHBondContact O-OG 3.42Å; S9-K13 WeakPolarHBondContact O-CG 3.33Å; S9-K13 PolarHBondContact O-N 3.47Å
10	S	33	Very low	32.6	Very low	62 Å²	62	110.8 Å²	110.8	43%	0.434	58%	0.575	S	S	.	*	H	α-helix	trans	-80.6	-24.6	-175.3	-165.5	0	0	0	0	113.8	H7 R8	H7-S10 PolarHBondContact O-N 3.49Å; R8-S10 VanDerWaalsContact C-N 3.34Å; R8-S10 PolarHBondContact O-N 2.99Å
11	I	34.9	Very low	32.7	Very low	65 Å²	65	111.8 Å²	111.8	33%	0.333	58%	0.579	S	S	.	*	H	α-helix	trans	-87.1	-38.5	-177.6	-64.5	170.7	0	0	0	110.8	K13 Q14 I15	I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 3.43Å; I11-Q14 WeakPolarHBondContact O-CB 3.38Å; I11-Q14 PolarHBondContact O-N 3.36Å; I11-I15 HydrophobicContact CG2-CD1 4.27Å; I11-I15 WeakPolarHBondContact O-CD1 3.48Å; I11-I15 PolarHBondContact O-N 3.43Å
12	S	32.3	Very low	32.5	Very low	57 Å²	57	104.2 Å²	104.2	40%	0.399	55%	0.551	S	S	.	*	H	α-helix	trans	-64.9	-31.8	171.6	34.4	0	0	0	0	112.3	R8 S9 Q14 I16	R8-S12 PolarHBondContact O-OG 3.49Å; S9-S12 PolarHBondContact O-OG 3.42Å; S12-Q14 VanDerWaalsContact C-N 3.3Å; S12-Q14 PolarHBondContact O-N 2.9Å; S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.02Å; S12-I16 VanDerWaalsContact O-N 3.16Å
13	K	33.8	Very low	32.6	Very low	126 Å²	126	99.8 Å²	99.8	55%	0.548	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-32.5	168.3	-77.3	178.9	-178.7	-176.8	0	113.1	S9 I11 I17	S9-K13 WeakPolarHBondContact O-CG 3.33Å; S9-K13 PolarHBondContact O-N 3.47Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 3.43Å; K13-I17 VanDerWaalsContact O-CB 3.25Å; K13-I17 WeakPolarHBondContact O-CB 3.48Å; K13-I17 VanDerWaalsContact O-CD1 3.29Å; K13-I17 WeakPolarHBondContact O-CD1 3.18Å; K13-I17 WeakPolarHBondContact O-CG1 3.13Å; K13-I17 PolarHBondContact O-N 2.8Å
14	Q	33	Very low	32.5	Very low	122 Å²	122	105.3 Å²	105.3	57%	0.57	53%	0.526	S	S	*	.	H	α-helix	trans	-74.3	-32	-179.1	-80.9	178.6	-6.5	0	0	113.7	I11 S12 F18	I11-Q14 WeakPolarHBondContact O-CB 3.38Å; I11-Q14 PolarHBondContact O-N 3.36Å; S12-Q14 VanDerWaalsContact C-N 3.3Å; S12-Q14 PolarHBondContact O-N 2.9Å; Q14-F18 WeakPolarHBondContact O-CB 3.07Å; Q14-F18 PolarHBondContact O-N 3.34Å
15	I	35.2	Very low	32.4	Very low	28 Å²	28	103.6 Å²	103.6	14%	0.144	51%	0.508	C	S	.	.	H	α-helix	trans	-78.4	-37.4	172.4	-67	100.2	0	0	0	111.7	I11 I17 F18 V19 K277	I11-I15 HydrophobicContact CG2-CD1 4.27Å; I11-I15 WeakPolarHBondContact O-CD1 3.48Å; I11-I15 PolarHBondContact O-N 3.43Å; I15-I17 PolarHBondContact O-N 3.29Å; I15-F18 PolarHBondContact O-N 2.9Å; I15-V19 HydrophobicContact CG2-CG2 4.2Å; I15-V19 WeakPolarHBondContact O-CG2 3.02Å; I15-V19 PolarHBondContact O-N 2.75Å; I15-K277 WeakPolarHBondContact CB-O 3.41Å; I15-K277 VanDerWaalsContact CD1-C 3.46Å; I15-K277 HydrophobicContact CD1-CB 4.35Å; I15-K277 WeakPolarHBondContact CD1-O 3.38Å; I15-K277 WeakPolarHBondContact CG1-O 3.35Å; I15-K277 WeakPolarHBondContact CG2-O 3.4Å
16	I	34.4	Very low	32.4	Very low	65 Å²	65	102.4 Å²	102.4	33%	0.333	50%	0.499	S	S	.	.	H	α-helix	trans	-55.2	-46.1	168.5	-68.4	168.8	0	0	0	109	S12 F18 V19 Q20	S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.02Å; S12-I16 VanDerWaalsContact O-N 3.16Å; I16-F18 VanDerWaalsContact C-N 3.35Å; I16-F18 PolarHBondContact O-N 3.31Å; I16-V19 PolarHBondContact O-N 3.16Å; I16-Q20 VanDerWaalsContact O-CB 3.24Å; I16-Q20 WeakPolarHBondContact O-CB 3.29Å; I16-Q20 PolarHBondContact O-N 3.46Å
17	I	33.8	Very low	32.7	Very low	86 Å²	86	99 Å²	99	44%	0.441	49%	0.494	S	S	.	.	H	α-helix	trans	-63.3	-34.9	174.5	-71.8	166	0	0	0	112.3	K13 I15 Q20 I21	K13-I17 VanDerWaalsContact O-CB 3.25Å; K13-I17 WeakPolarHBondContact O-CB 3.48Å; K13-I17 VanDerWaalsContact O-CD1 3.29Å; K13-I17 WeakPolarHBondContact O-CD1 3.18Å; K13-I17 WeakPolarHBondContact O-CG1 3.13Å; K13-I17 PolarHBondContact O-N 2.8Å; I15-I17 PolarHBondContact O-N 3.29Å; I17-Q20 CarbonylContact O-C 3.51Å; I17-Q20 PolarHBondContact O-N 3.41Å; I17-I21 HydrophobicContact CG2-CD1 3.26Å; I17-I21 HydrophobicContact CG2-CG1 3.85Å; I17-I21 WeakPolarHBondContact O-CB 2.95Å; I17-I21 WeakPolarHBondContact O-CG1 3.04Å; I17-I21 PolarHBondContact O-N 3.07Å
18	F	33.2	Very low	33	Very low	122 Å²	122	97.1 Å²	97.1	54%	0.535	49%	0.488	S	S	.	.	H	α-helix	trans	-72.3	-33.2	177	-143.8	-94.4	0	0	0	112.8	Q14 I15 I16 S22	Q14-F18 WeakPolarHBondContact O-CB 3.07Å; Q14-F18 PolarHBondContact O-N 3.34Å; I15-F18 PolarHBondContact O-N 2.9Å; I16-F18 VanDerWaalsContact C-N 3.35Å; I16-F18 PolarHBondContact O-N 3.31Å; F18-S22 PolarHBondContact O-N 2.84Å; F18-S22 PolarHBondContact O-OG 2.98Å
19	V	33.1	Very low	32.8	Very low	58 Å²	58	93 Å²	93	35%	0.352	48%	0.48	S	S	.	.	H	α-helix	trans	-72.5	-32	170.5	176.3	0	0	0	0	110.8	I15 I16 I23	I15-V19 HydrophobicContact CG2-CG2 4.2Å; I15-V19 WeakPolarHBondContact O-CG2 3.02Å; I15-V19 PolarHBondContact O-N 2.75Å; I16-V19 PolarHBondContact O-N 3.16Å; V19-I23 HydrophobicContact CG1-CD1 4.42Å; V19-I23 WeakPolarHBondContact O-CG1 3.37Å
20	Q	30.5	Very low	32.8	Very low	127 Å²	127	95.6 Å²	95.6	59%	0.593	50%	0.497	S	S	*	.	H	α-helix	trans	-82.3	-26.7	178.1	-141.9	121.7	-16.6	0	0	114.1	I16 I17	I16-Q20 VanDerWaalsContact O-CB 3.24Å; I16-Q20 WeakPolarHBondContact O-CB 3.29Å; I16-Q20 PolarHBondContact O-N 3.46Å; I17-Q20 CarbonylContact O-C 3.51Å; I17-Q20 PolarHBondContact O-N 3.41Å
21	I	33.4	Very low	32.7	Very low	131 Å²	131	98 Å²	98	67%	0.672	50%	0.504	S	S	*	.	H	α-helix	trans	-83.8	-33.4	-179.3	-74.9	177	0	0	0	111	I17 I23	I17-I21 HydrophobicContact CG2-CD1 3.26Å; I17-I21 HydrophobicContact CG2-CG1 3.85Å; I17-I21 WeakPolarHBondContact O-CB 2.95Å; I17-I21 WeakPolarHBondContact O-CG1 3.04Å; I17-I21 PolarHBondContact O-N 3.07Å; I21-I23 VanDerWaalsContact C-N 3.33Å
22	S	30.9	Very low	32.5	Very low	85 Å²	85	99.6 Å²	99.6	59%	0.594	51%	0.514	S	S	*	.	H	α-helix	trans	-80.3	-15.8	175.8	-62.9	0	0	0	0	113.2	F18	F18-S22 PolarHBondContact O-N 2.84Å; F18-S22 PolarHBondContact O-OG 2.98Å
23	I	34.7	Very low	32.7	Very low	32 Å²	32	101.7 Å²	101.7	16%	0.164	52%	0.52	C	S	.	.			trans	-133.6	113.8	-175.2	-39.8	172.9	0	0	0	108.8	V19 I21 L25 E218	V19-I23 HydrophobicContact CG1-CD1 4.42Å; V19-I23 WeakPolarHBondContact O-CG1 3.37Å; I21-I23 VanDerWaalsContact C-N 3.33Å; I23-L25 HydrophobicContact CB-CB 4.41Å; I23-L25 HydrophobicContact CB-CD1 3.83Å; I23-L25 HydrophobicContact CB-CG 4.27Å; I23-L25 HydrophobicContact CD1-CD1 3.76Å; I23-L25 HydrophobicContact CG1-CD1 4.4Å; I23-L25 HydrophobicContact CG2-CB 3.99Å; I23-L25 HydrophobicContact CG2-CD1 3.43Å; I23-L25 VanDerWaalsContact CG2-CD1 3.43Å; I23-L25 HydrophobicContact CG2-CG 3.52Å; I23-L25 PolarHBondContact O-N 3.26Å; I23-E218 WeakPolarHBondContact CD1-OE2 2.92Å
24	R	30.6	Very low	32.9	Very low	229 Å²	229	99.2 Å²	99.2	86%	0.864	52%	0.516	S	S	*	.			trans	-64.4	65.4	155.2	-74.8	-175.5	175.2	-169.5	-0.4	108.5	P26	R24-P26 WeakPolarHBondContact O-CD 3.24Å
25	L	31.8	Very low	33.1	Very low	65 Å²	65	100.7 Å²	100.7	34%	0.34	53%	0.527	S	S	.	.			trans	-77.8	105.5	170.1	-106.6	146.9	0	0	0	105.1	I23 L27 I91	I23-L25 HydrophobicContact CB-CB 4.41Å; I23-L25 HydrophobicContact CB-CD1 3.83Å; I23-L25 HydrophobicContact CB-CG 4.27Å; I23-L25 HydrophobicContact CD1-CD1 3.76Å; I23-L25 HydrophobicContact CG1-CD1 4.4Å; I23-L25 HydrophobicContact CG2-CB 3.99Å; I23-L25 HydrophobicContact CG2-CD1 3.43Å; I23-L25 VanDerWaalsContact CG2-CD1 3.43Å; I23-L25 HydrophobicContact CG2-CG 3.52Å; I23-L25 PolarHBondContact O-N 3.26Å; L25-L27 PolarHBondContact O-N 3.46Å; L25-I91 HydrophobicContact CD2-CG2 3.93Å; L25-I91 HydrophobicContact CG-CG2 4.17Å
26	P	29.3	Very low	33.3	Very low	82 Å²	82	102.6 Å²	102.6	53%	0.532	54%	0.54	S	S	.	.			trans	-58.9	137.1	167	29.4	-31.3	0	0	0	105.4	R24 I28	R24-P26 WeakPolarHBondContact O-CD 3.24Å; P26-I28 PolarHBondContact O-N 2.97Å
27	L	32.9	Very low	33.5	Very low	134 Å²	134	102.1 Å²	102.1	70%	0.702	54%	0.543	S	S	*	.			trans	-29.7	126.7	172.1	-70.1	158.9	0	0	0	109.1	L25 L29	L25-L27 PolarHBondContact O-N 3.46Å; L27-L29 HydrophobicContact CB-CB 4.39Å; L27-L29 HydrophobicContact CB-CD1 3.93Å; L27-L29 HydrophobicContact CB-CG 3.88Å; L27-L29 HydrophobicContact CD1-CD1 3.87Å; L27-L29 HydrophobicContact CD1-CG 4.48Å; L27-L29 PolarHBondContact O-N 3.31Å
28	I	37.7	Very low	33.9	Very low	100 Å²	100	102 Å²	102	51%	0.513	55%	0.547	S	S	.	.			trans	-66.3	61	162.4	-56.4	172.1	0	0	0	106.3	P26 C30 Y222	P26-I28 PolarHBondContact O-N 2.97Å; I28-C30 PolarHBondContact O-N 3.36Å; I28-Y222 HydrophobicContact CD1-CD1 4.43Å; I28-Y222 HydrophobicContact CD1-CE1 3.69Å
29	L	28	Very low	34.3	Very low	121 Å²	121	105.3 Å²	105.3	63%	0.634	56%	0.556	S	S	*	*			trans	-73.8	106.1	159	-85.5	164.5	0	0	0	103.3	L27 L31	L27-L29 HydrophobicContact CB-CB 4.39Å; L27-L29 HydrophobicContact CB-CD1 3.93Å; L27-L29 HydrophobicContact CB-CG 3.88Å; L27-L29 HydrophobicContact CD1-CD1 3.87Å; L27-L29 HydrophobicContact CD1-CG 4.48Å; L27-L29 PolarHBondContact O-N 3.31Å; L29-L31 PolarHBondContact O-N 2.75Å
30	C	31.3	Very low	34.4	Very low	111 Å²	111	110.8 Å²	110.8	75%	0.75	57%	0.571	S	S	*	*			trans	10.6	80.3	150	-72.8	0	0	0	0	113.3	I28 D32	I28-C30 PolarHBondContact O-N 3.36Å; C30-D32 PolarHBondContact O-N 3.37Å
31	L	31.3	Very low	34.8	Very low	111 Å²	111	107 Å²	107	58%	0.581	55%	0.551	S	S	*	*			trans	-79.3	82.9	160.1	-79.2	134.8	0	0	0	106.4	L29 L33 L94	L29-L31 PolarHBondContact O-N 2.75Å; L31-L33 PolarHBondContact O-N 2.88Å; L31-L94 HydrophobicContact CB-CD2 4.21Å; L31-L94 HydrophobicContact CD1-CD1 3.07Å; L31-L94 HydrophobicContact CD1-CD2 3.71Å; L31-L94 HydrophobicContact CD1-CG 3.94Å; L31-L94 HydrophobicContact CD2-CB 4.29Å; L31-L94 HydrophobicContact CD2-CD1 3.74Å; L31-L94 HydrophobicContact CD2-CD2 3.99Å; L31-L94 HydrophobicContact CD2-CG 4.2Å; L31-L94 HydrophobicContact CG-CD1 3.95Å; L31-L94 HydrophobicContact CG-CD2 4.15Å
32	D	31.5	Very low	35	Very low	100 Å²	100	105.1 Å²	105.1	54%	0.535	54%	0.539	S	S	.	.			trans	-6.2	89.3	146.2	-108.4	1.2	0	0	0	113	C30 T34	C30-D32 PolarHBondContact O-N 3.37Å; D32-T34 HydrophobicContact CB-CG2 4.35Å; D32-T34 WeakPolarHBondContact CB-OG1 3.47Å; D32-T34 PolarHBondContact O-N 3.44Å; D32-T34 VanDerWaalsContact O-N 3.14Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.4Å; D32-T34 PolarHBondContact OD1-OG1 3.07Å; D32-T34 PolarHBondContact OD2-OG1 3.31Å
33	L	36.7	Very low	35.6	Very low	100 Å²	100	106.2 Å²	106.2	52%	0.524	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-63	-1.8	153.4	-67.9	171.1	0	0	0	110.9	L31 N35 V36 R41	L31-L33 PolarHBondContact O-N 2.88Å; L33-N35 PolarHBondContact O-N 2.74Å; L33-V36 PolarHBondContact O-N 3.26Å; L33-V36 VanDerWaalsContact O-O 3.06Å; L33-R41 VanDerWaalsContact CB-CZ 3.43Å; L33-R41 VanDerWaalsContact CB-NH1 3.33Å; L33-R41 PolarHBondContact O-NE 3.39Å; L33-R41 PolarHBondContact O-NH2 3.35Å
34	T	37.3	Very low	35.8	Very low	74 Å²	74	112.8 Å²	112.8	45%	0.454	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-60.8	-22.5	176.3	61.4	0	0	0	0	113.4	D32 V36	D32-T34 HydrophobicContact CB-CG2 4.35Å; D32-T34 WeakPolarHBondContact CB-OG1 3.47Å; D32-T34 PolarHBondContact O-N 3.44Å; D32-T34 VanDerWaalsContact O-N 3.14Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.4Å; D32-T34 PolarHBondContact OD1-OG1 3.07Å; D32-T34 PolarHBondContact OD2-OG1 3.31Å; T34-V36 CarbonylContact O-C 3.6Å; T34-V36 PolarHBondContact O-N 3.01Å; T34-V36 VanDerWaalsContact O-N 3.16Å
35	N	37.9	Very low	36.4	Very low	153 Å²	153	102.1 Å²	102.1	82%	0.818	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-66.7	-13.8	175.8	-83.2	-30.5	0	0	0	113.8	L33	L33-N35 PolarHBondContact O-N 2.74Å
36	V	38.2	Very low	37.3	Very low	68 Å²	68	102.8 Å²	102.8	41%	0.412	53%	0.532	S	S	.	.	S	Bend	trans	-106.5	117.1	160	-175.3	0	0	0	0	106.9	L33 T34 R40 R41	L33-V36 PolarHBondContact O-N 3.26Å; L33-V36 VanDerWaalsContact O-O 3.06Å; T34-V36 CarbonylContact O-C 3.6Å; T34-V36 PolarHBondContact O-N 3.01Å; T34-V36 VanDerWaalsContact O-N 3.16Å; V36-R40 HydrophobicContact CG1-CB 3.8Å; V36-R41 HydrophobicContact CB-CG 4.13Å; V36-R41 HydrophobicContact CG1-CG 3.8Å; V36-R41 PolarHBondContact O-NE 2.79Å; V36-R41 PolarHBondContact O-NH2 3.13Å
37	S	39.6	Very low	38.5	Very low	55 Å²	55	104.2 Å²	104.2	39%	0.385	53%	0.531	S	S	.	.			trans	-48.4	135.3	-178.1	75.9	0	0	0	0	109.9	R39 R40 R41	S37-R39 PolarHBondContact O-N 3.47Å; S37-R40 PolarHBondContact O-N 3.09Å; S37-R40 WeakPolarHBondContact OG-CG 3.1Å; S37-R40 PolarHBondContact OG-N 3.21Å; S37-R41 PolarHBondContact O-N 3.07Å
38	P	42	Very low	39.4	Very low	83 Å²	83	99.3 Å²	99.3	54%	0.539	51%	0.51	S	S	.	.	H	α-helix	trans	-48.4	-40.3	-179.6	-30	34.7	0	0	0	112	R40 R41 E42	P38-R40 PolarHBondContact O-N 3.28Å; P38-R41 PolarHBondContact O-N 3.17Å; P38-E42 PolarHBondContact O-N 2.85Å
39	R	41.5	Very low	40.2	Very low	193 Å²	193	95.8 Å²	95.8	73%	0.728	49%	0.493	S	S	*	.	H	α-helix	trans	-57.4	-42	173.5	-79.6	-172.4	175.7	-158.3	-0.4	114.6	S37 N43	S37-R39 PolarHBondContact O-N 3.47Å; R39-N43 VanDerWaalsContact O-CB 3.31Å; R39-N43 WeakPolarHBondContact O-CB 3.38Å; R39-N43 PolarHBondContact O-N 3.34Å; R39-N43 PolarHBondContact O-ND2 3.31Å
40	R	35.6	Very low	41.8	Very low	173 Å²	173	96.4 Å²	96.4	65%	0.653	49%	0.488	S	S	*	.	H	α-helix	trans	-68	-39.8	177.6	-81.4	-174.1	-177.2	-169.6	2.8	110.9	V36 S37 P38 N43 Y44	V36-R40 HydrophobicContact CG1-CB 3.8Å; S37-R40 PolarHBondContact O-N 3.09Å; S37-R40 WeakPolarHBondContact OG-CG 3.1Å; S37-R40 PolarHBondContact OG-N 3.21Å; P38-R40 PolarHBondContact O-N 3.28Å; R40-N43 PolarHBondContact O-N 3.39Å; R40-Y44 WeakPolarHBondContact O-CD2 3.39Å; R40-Y44 PolarHBondContact O-N 2.83Å
41	R	37.7	Very low	43.3	Very low	47 Å²	47	93.4 Å²	93.4	18%	0.177	46%	0.463	C	S	.	.	H	α-helix	trans	-64.1	-46.5	174.8	-81.1	-173.8	-79.1	147.3	-3.6	111.8	L33 V36 S37 P38 Y44 T45	L33-R41 VanDerWaalsContact CB-CZ 3.43Å; L33-R41 VanDerWaalsContact CB-NH1 3.33Å; L33-R41 PolarHBondContact O-NE 3.39Å; L33-R41 PolarHBondContact O-NH2 3.35Å; V36-R41 HydrophobicContact CB-CG 4.13Å; V36-R41 HydrophobicContact CG1-CG 3.8Å; V36-R41 PolarHBondContact O-NE 2.79Å; V36-R41 PolarHBondContact O-NH2 3.13Å; S37-R41 PolarHBondContact O-N 3.07Å; P38-R41 PolarHBondContact O-N 3.17Å; R41-Y44 PolarHBondContact O-N 3.36Å; R41-T45 WeakPolarHBondContact O-CB 3.47Å; R41-T45 PolarHBondContact O-N 2.65Å; R41-T45 PolarHBondContact O-OG1 3.48Å
42	E	38.9	Very low	44.8	Very low	91 Å²	91	89.3 Å²	89.3	43%	0.425	44%	0.44	S	S	.	.	H	α-helix	trans	-57.4	-46.8	173.1	-84.6	179.1	147.7	0	0	111.5	P38 Y44 T45 C46 Y156	P38-E42 PolarHBondContact O-N 2.85Å; E42-Y44 PolarHBondContact O-N 3.07Å; E42-T45 VanDerWaalsContact C-OG1 3.31Å; E42-T45 WeakPolarHBondContact CA-OG1 3.34Å; E42-T45 PolarHBondContact O-N 3.18Å; E42-T45 PolarHBondContact O-OG1 3.38Å; E42-C46 WeakPolarHBondContact O-CB 3.43Å; E42-C46 PolarHBondContact O-N 3.06Å; E42-C46 PolarHBondContact O-SG 3.11Å; E42-Y156 WeakPolarHBondContact CA-OH 3.29Å; E42-Y156 HydrophobicContact CG-CE1 3.94Å; E42-Y156 WeakPolarHBondContact CG-OH 3.25Å
43	N	43.5	Very low	46.5	Very low	109 Å²	109	90.1 Å²	90.1	58%	0.583	44%	0.436	S	S	*	.	H	α-helix	trans	-63.4	-44.1	-179.3	-73.5	-17.8	0	0	0	112.5	R39 R40 H47	R39-N43 VanDerWaalsContact O-CB 3.31Å; R39-N43 WeakPolarHBondContact O-CB 3.38Å; R39-N43 PolarHBondContact O-N 3.34Å; R39-N43 PolarHBondContact O-ND2 3.31Å; R40-N43 PolarHBondContact O-N 3.39Å; N43-H47 WeakPolarHBondContact O-CB 3.47Å; N43-H47 PolarHBondContact O-N 2.91Å
44	Y	39.3	Very low	48.1	Very low	170 Å²	170	90.3 Å²	90.3	67%	0.667	43%	0.429	S	S	*	.	H	α-helix	trans	-65.9	-40.1	177	-92.9	-81.3	0	0	0	112.4	R40 R41 E42 H47 A48	R40-Y44 WeakPolarHBondContact O-CD2 3.39Å; R40-Y44 PolarHBondContact O-N 2.83Å; R41-Y44 PolarHBondContact O-N 3.36Å; E42-Y44 PolarHBondContact O-N 3.07Å; Y44-H47 PolarHBondContact O-N 3.37Å; Y44-A48 WeakPolarHBondContact O-CB 3.1Å; Y44-A48 PolarHBondContact O-N 3.32Å
45	T	43.3	Very low	49.4	Very low	5 Å²	5	93 Å²	93	3%	0.031	44%	0.435	C	S	.	.	H	α-helix	trans	-67.6	-52.9	177.4	30.4	0	0	0	0	112.9	R41 E42 H47 A48 V49 F153 Y156	R41-T45 WeakPolarHBondContact O-CB 3.47Å; R41-T45 PolarHBondContact O-N 2.65Å; R41-T45 PolarHBondContact O-OG1 3.48Å; E42-T45 VanDerWaalsContact C-OG1 3.31Å; E42-T45 WeakPolarHBondContact CA-OG1 3.34Å; E42-T45 PolarHBondContact O-N 3.18Å; E42-T45 PolarHBondContact O-OG1 3.38Å; T45-H47 PolarHBondContact O-N 2.93Å; T45-A48 PolarHBondContact O-N 3.45Å; T45-V49 VanDerWaalsContact O-CB 3.32Å; T45-V49 WeakPolarHBondContact O-CB 3.38Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-V49 PolarHBondContact O-N 3.04Å; T45-F153 HydrophobicContact CG2-CB 3.3Å; T45-F153 HydrophobicContact CG2-CD1 3.09Å; T45-F153 HydrophobicContact CG2-CD2 3.02Å; T45-F153 HydrophobicContact CG2-CE1 3.45Å; T45-F153 VanDerWaalsContact CG2-CE1 3.45Å; T45-F153 HydrophobicContact CG2-CE2 3.36Å; T45-F153 HydrophobicContact CG2-CG 2.86Å; T45-F153 HydrophobicContact CG2-CZ 3.58Å; T45-Y156 HydrophobicContact CG2-CD2 4.19Å; T45-Y156 HydrophobicContact CG2-CE2 3.7Å
46	C	49	Very low	50.6	Low	78 Å²	78	89.4 Å²	89.4	53%	0.527	41%	0.412	S	S	.	.	H	α-helix	trans	-54.7	-41.9	175.6	-69.6	0	0	0	0	109.3	E42 Y50	E42-C46 WeakPolarHBondContact O-CB 3.43Å; E42-C46 PolarHBondContact O-N 3.06Å; E42-C46 PolarHBondContact O-SG 3.11Å; C46-Y50 WeakPolarHBondContact O-CA 3.37Å; C46-Y50 WeakPolarHBondContact O-CB 3.28Å; C46-Y50 PolarHBondContact O-N 2.87Å
47	H	55.7	Low	51.7	Low	112 Å²	112	94 Å²	94	52%	0.519	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-47	176.8	-170.2	-88.2	0	0	0	113.1	N43 Y44 T45 Y50 E51	N43-H47 WeakPolarHBondContact O-CB 3.47Å; N43-H47 PolarHBondContact O-N 2.91Å; Y44-H47 PolarHBondContact O-N 3.37Å; T45-H47 PolarHBondContact O-N 2.93Å; H47-Y50 PolarHBondContact O-N 2.91Å; H47-E51 VanDerWaalsContact CE1-CG 3.42Å; H47-E51 WeakPolarHBondContact CE1-CG 3.46Å; H47-E51 VanDerWaalsContact O-CB 3.24Å; H47-E51 WeakPolarHBondContact O-CB 3.38Å; H47-E51 WeakPolarHBondContact O-CG 3.45Å; H47-E51 PolarHBondContact O-N 2.94Å
48	A	52.1	Low	52.6	Low	31 Å²	31	99.2 Å²	99.2	26%	0.256	44%	0.437	S	S	.	.	H	α-helix	trans	-63.7	-44.1	179.1	0	0	0	0	0	112	Y44 T45 W52	Y44-A48 WeakPolarHBondContact O-CB 3.1Å; Y44-A48 PolarHBondContact O-N 3.32Å; T45-A48 PolarHBondContact O-N 3.45Å; A48-W52 VanDerWaalsContact O-CB 3.23Å; A48-W52 WeakPolarHBondContact O-CB 3.43Å; A48-W52 PolarHBondContact O-N 3.48Å
49	V	54.7	Low	53.2	Low	27 Å²	27	99.1 Å²	99.1	16%	0.164	44%	0.436	C	S	.	.	H	α-helix	trans	-66.3	-43	175.3	174.6	0	0	0	0	110.5	T45 W52 R53 M145	T45-V49 VanDerWaalsContact O-CB 3.32Å; T45-V49 WeakPolarHBondContact O-CB 3.38Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-V49 PolarHBondContact O-N 3.04Å; V49-W52 PolarHBondContact O-N 2.93Å; V49-R53 HydrophobicContact CG1-CG 4.48Å; V49-R53 WeakPolarHBondContact O-CB 3.4Å; V49-R53 WeakPolarHBondContact O-CG 3.09Å; V49-R53 PolarHBondContact O-N 3.46Å; V49-M145 HydrophobicContact CG2-CE 3.97Å
50	Y	61.1	Low	53.6	Low	133 Å²	133	95.2 Å²	95.2	52%	0.522	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-50.3	177.6	174.7	-93	0	0	0	111.4	C46 H47 W52 R53 R54	C46-Y50 WeakPolarHBondContact O-CA 3.37Å; C46-Y50 WeakPolarHBondContact O-CB 3.28Å; C46-Y50 PolarHBondContact O-N 2.87Å; H47-Y50 PolarHBondContact O-N 2.91Å; Y50-W52 VanDerWaalsContact C-N 3.3Å; Y50-W52 PolarHBondContact O-N 2.68Å; Y50-R53 PolarHBondContact O-N 3.49Å; Y50-R54 VanDerWaalsContact O-CB 3.23Å; Y50-R54 WeakPolarHBondContact O-CB 3.35Å; Y50-R54 PolarHBondContact O-N 2.96Å
51	E	63.2	Low	54.1	Low	48 Å²	48	95.6 Å²	95.6	22%	0.224	44%	0.438	C	S	.	.	H	α-helix	trans	-61.3	-40.3	177.6	-82.5	-62.3	134.5	0	0	111.4	H47 R54 K55	H47-E51 VanDerWaalsContact CE1-CG 3.42Å; H47-E51 WeakPolarHBondContact CE1-CG 3.46Å; H47-E51 VanDerWaalsContact O-CB 3.24Å; H47-E51 WeakPolarHBondContact O-CB 3.38Å; H47-E51 WeakPolarHBondContact O-CG 3.45Å; H47-E51 PolarHBondContact O-N 2.94Å; E51-R54 PolarHBondContact O-N 3.16Å; E51-R54 IonicContact OE1-NH1 3.84Å; E51-K55 WeakPolarHBondContact O-CB 3.34Å; E51-K55 WeakPolarHBondContact O-CG 3.5Å; E51-K55 PolarHBondContact O-N 2.97Å
52	W	62.7	Low	54	Low	25 Å²	25	97.4 Å²	97.4	10%	0.095	46%	0.458	C	S	.	.	H	α-helix	trans	-63.8	-47.7	173.9	178.4	79.9	0	0	0	112	A48 V49 Y50 R54 K55 K56 E141 T144 M145 V150	A48-W52 VanDerWaalsContact O-CB 3.23Å; A48-W52 WeakPolarHBondContact O-CB 3.43Å; A48-W52 PolarHBondContact O-N 3.48Å; V49-W52 PolarHBondContact O-N 2.93Å; Y50-W52 VanDerWaalsContact C-N 3.3Å; Y50-W52 PolarHBondContact O-N 2.68Å; W52-R54 VanDerWaalsContact C-N 3.28Å; W52-R54 PolarHBondContact O-N 2.79Å; W52-K55 PolarHBondContact O-N 3.14Å; W52-K56 HydrophobicContact CH2-CD 3.51Å; W52-K56 HydrophobicContact CZ2-CD 3.7Å; W52-K56 HydrophobicContact CZ3-CD 4.17Å; W52-K56 WeakPolarHBondContact O-CB 3.48Å; W52-K56 PolarHBondContact O-N 2.67Å; W52-E141 HydrophobicContact CE3-CG 4.4Å; W52-E141 HydrophobicContact CH2-CB 4.43Å; W52-E141 HydrophobicContact CH2-CG 3.43Å; W52-E141 VanDerWaalsContact CH2-CG 3.43Å; W52-E141 HydrophobicContact CZ3-CG 3.32Å; W52-E141 WeakPolarHBondContact CZ3-OE1 3.36Å; W52-T144 HydrophobicContact CZ2-CG2 3.72Å; W52-M145 HydrophobicContact CD2-CG 3.64Å; W52-M145 HydrophobicContact CD2-SD 4.37Å; W52-M145 HydrophobicContact CE3-CG 4.01Å; W52-M145 HydrophobicContact CE3-SD 4.23Å; W52-M145 HydrophobicContact CG-CG 4.11Å; W52-M145 HydrophobicContact CH2-CG 4.27Å; W52-M145 HydrophobicContact CZ2-CG 3.91Å; W52-M145 HydrophobicContact CZ3-CG 4.33Å; W52-V150 HydrophobicContact CB-CG1 4.35Å; W52-V150 HydrophobicContact CG-CG1 4.49Å; W52-V150 HydrophobicContact CG-CG2 4.35Å
53	R	65.7	Low	53.8	Low	118 Å²	118	100.3 Å²	100.3	45%	0.445	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-39.3	175.5	-76.9	-180	176.9	164.2	1.1	111.7	V49 Y50 K56 K57 E141	V49-R53 HydrophobicContact CG1-CG 4.48Å; V49-R53 WeakPolarHBondContact O-CB 3.4Å; V49-R53 WeakPolarHBondContact O-CG 3.09Å; V49-R53 PolarHBondContact O-N 3.46Å; Y50-R53 PolarHBondContact O-N 3.49Å; R53-K56 PolarHBondContact O-N 3.42Å; R53-K57 WeakPolarHBondContact O-CG 3.39Å; R53-K57 PolarHBondContact O-N 3.36Å; R53-E141 IonicContact CZ-OE1 3.92Å; R53-E141 VanDerWaalsContact CZ-OE1 3.27Å; R53-E141 IonicContact NE-OE1 3.83Å; R53-E141 PolarHBondContact NE-OE1 3.23Å; R53-E141 IonicContact NH2-OE1 3.99Å; R53-E141 PolarHBondContact NH2-OE1 2.89Å; R53-E141 IonicContact NH2-OE2 3.57Å; R53-E141 PolarHBondContact NH2-OE2 2.86Å
54	R	71	Confident	53.4	Low	104 Å²	104	103.2 Å²	103.2	39%	0.392	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-45.1	177.3	-172.9	-179.2	-177.4	171.6	5.7	111.4	Y50 E51 W52 K57 R58	Y50-R54 VanDerWaalsContact O-CB 3.23Å; Y50-R54 WeakPolarHBondContact O-CB 3.35Å; Y50-R54 PolarHBondContact O-N 2.96Å; E51-R54 PolarHBondContact O-N 3.16Å; E51-R54 IonicContact OE1-NH1 3.84Å; W52-R54 VanDerWaalsContact C-N 3.28Å; W52-R54 PolarHBondContact O-N 2.79Å; R54-K57 PolarHBondContact O-N 2.94Å; R54-R58 PolarHBondContact O-N 2.84Å
55	K	65	Low	53.3	Low	130 Å²	130	103.9 Å²	103.9	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-64.9	-42.9	174.9	-75.7	177.6	-177.2	177.6	0	111.7	E51 W52 K57 R58 T59	E51-K55 WeakPolarHBondContact O-CB 3.34Å; E51-K55 WeakPolarHBondContact O-CG 3.5Å; E51-K55 PolarHBondContact O-N 2.97Å; W52-K55 PolarHBondContact O-N 3.14Å; K55-K57 PolarHBondContact O-N 2.96Å; K55-R58 WeakPolarHBondContact O-CB 3.35Å; K55-R58 PolarHBondContact O-N 3.26Å; K55-R58 VanDerWaalsContact O-N 3.08Å; K55-T59 PolarHBondContact O-N 2.85Å; K55-T59 PolarHBondContact O-OG1 3.21Å
56	K	62.1	Low	53.1	Low	78 Å²	78	112.5 Å²	112.5	34%	0.339	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-42.2	176.6	-172.2	172.6	-179.8	173.6	0	112.6	W52 R53 R58 T59 N60	W52-K56 HydrophobicContact CH2-CD 3.51Å; W52-K56 HydrophobicContact CZ2-CD 3.7Å; W52-K56 HydrophobicContact CZ3-CD 4.17Å; W52-K56 WeakPolarHBondContact O-CB 3.48Å; W52-K56 PolarHBondContact O-N 2.67Å; R53-K56 PolarHBondContact O-N 3.42Å; K56-R58 PolarHBondContact O-N 2.77Å; K56-T59 WeakPolarHBondContact CA-OG1 3.43Å; K56-T59 PolarHBondContact O-N 3.49Å; K56-T59 PolarHBondContact O-OG1 2.87Å; K56-N60 PolarHBondContact O-N 2.8Å; K56-N60 PolarHBondContact O-OD1 3.42Å
57	K	61.1	Low	52.9	Low	164 Å²	164	112.6 Å²	112.6	71%	0.713	54%	0.536	S	S	*	.	H	α-helix	trans	-60.9	-32	174.3	-78.1	-176.9	178.6	-174.2	0	112.7	R53 R54 K55	R53-K57 WeakPolarHBondContact O-CG 3.39Å; R53-K57 PolarHBondContact O-N 3.36Å; R54-K57 PolarHBondContact O-N 2.94Å; K55-K57 PolarHBondContact O-N 2.96Å
58	R	58.3	Low	52.1	Low	164 Å²	164	112.9 Å²	112.9	62%	0.619	55%	0.546	S	S	*	.	H	α-helix	trans	-73.9	-34.4	174.9	-73.9	176	165.9	160.9	-6.8	112.8	R54 K55 K56	R54-R58 PolarHBondContact O-N 2.84Å; K55-R58 WeakPolarHBondContact O-CB 3.35Å; K55-R58 PolarHBondContact O-N 3.26Å; K55-R58 VanDerWaalsContact O-N 3.08Å; K56-R58 PolarHBondContact O-N 2.77Å
59	T	55.2	Low	51.7	Low	82 Å²	82	115.7 Å²	115.7	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-82.2	-18.5	-179.9	53.1	0	0	0	0	114.1	K55 K56 H61 S62	K55-T59 PolarHBondContact O-N 2.85Å; K55-T59 PolarHBondContact O-OG1 3.21Å; K56-T59 WeakPolarHBondContact CA-OG1 3.43Å; K56-T59 PolarHBondContact O-N 3.49Å; K56-T59 PolarHBondContact O-OG1 2.87Å; T59-H61 PolarHBondContact O-N 2.92Å; T59-S62 PolarHBondContact O-N 3.26Å
60	N	50.1	Low	51.4	Low	111 Å²	111	117.2 Å²	117.2	59%	0.594	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-3.9	175.5	-81.4	11.6	0	0	0	114.2	K56	K56-N60 PolarHBondContact O-N 2.8Å; K56-N60 PolarHBondContact O-OD1 3.42Å
61	H	46.8	Very low	51.4	Low	181 Å²	181	111.5 Å²	111.5	84%	0.838	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	0.3	169.1	-83.3	69.6	0	0	0	113.8	T59	T59-H61 PolarHBondContact O-N 2.92Å
62	S	35.3	Very low	52	Low	85 Å²	85	115 Å²	115	59%	0.594	59%	0.586	S	S	*	*	S	Bend	trans	-148.3	96.8	-179.4	26	0	0	0	0	112.2	T59	T59-S62 PolarHBondContact O-N 3.26Å
63	N	33.9	Very low	53	Low	152 Å²	152	113.9 Å²	113.9	81%	0.813	58%	0.582	S	S	*	*			trans	49.3	114.3	164.9	-72.9	-14.8	0	0	0	118.7	K65	N63-K65 PolarHBondContact O-N 2.97Å
64	D	36.1	Very low	54.2	Low	169 Å²	169	108.7 Å²	108.7	90%	0.904	56%	0.562	S	S	*	*			trans	-57	81.8	159.3	-90.5	-32.5	0	0	0	110.6	Q66	D64-Q66 PolarHBondContact O-N 2.96Å
65	K	37	Very low	55	Low	185 Å²	185	104.7 Å²	104.7	80%	0.804	55%	0.554	S	S	*	*			trans	-75.4	107.8	157.2	-73.9	-171.7	178	-177.6	0	106.5	N63 V67	N63-K65 PolarHBondContact O-N 2.97Å; K65-V67 PolarHBondContact O-N 3.37Å
66	Q	39.2	Very low	55.9	Low	185 Å²	185	102.5 Å²	102.5	86%	0.864	54%	0.542	S	S	*	.			trans	-38.7	115.6	161.3	-95.8	177.8	-15.6	0	0	108.1	D64 T68	D64-Q66 PolarHBondContact O-N 2.96Å; Q66-T68 PolarHBondContact O-N 3.34Å
67	V	44.7	Very low	56.9	Low	81 Å²	81	100.8 Å²	100.8	49%	0.491	54%	0.539	S	S	.	.			trans	-55.3	104.8	174.3	175.8	0	0	0	0	106.1	K65 A69	K65-V67 PolarHBondContact O-N 3.37Å; V67-A69 PolarHBondContact O-N 2.97Å
68	T	39.5	Very low	57.9	Low	117 Å²	117	93.3 Å²	93.3	72%	0.718	51%	0.506	S	S	*	.			trans	-55.1	136.8	179.3	44.7	0	0	0	0	108.1	Q66 G70	Q66-T68 PolarHBondContact O-N 3.34Å; T68-G70 PolarHBondContact O-N 3.38Å
69	A	43.3	Very low	58.8	Low	90 Å²	90	87.9 Å²	87.9	74%	0.744	49%	0.494	S	S	*	.	S	Bend	trans	-62.6	5.3	-167.4	0	0	0	0	0	115.9	V67	V67-A69 PolarHBondContact O-N 2.97Å
70	G	47.9	Very low	59.8	Low	59 Å²	59	86.7 Å²	86.7	61%	0.608	48%	0.484	S	S	*	.			trans	-112.3	56.3	175.4	0	0	0	0	0	112.2	T68	T68-G70 PolarHBondContact O-N 3.38Å
71	G	61	Low	60.9	Low	13 Å²	13	81.6 Å²	81.6	13%	0.134	46%	0.457	C	S	.	.			trans	-66	178.1	171.2	0	0	0	0	0	111.5	F73 F74 S147	G71-F73 PolarHBondContact O-N 2.96Å; G71-F74 PolarHBondContact N-O 3.23Å; G71-S147 WeakPolarHBondContact CA-O 3.34Å
72	K	75.7	Confident	61.4	Low	122 Å²	122	74.8 Å²	74.8	53%	0.53	43%	0.43	S	S	.	.	S	Bend	trans	-60.6	-19.8	176.7	-68.5	-174.2	174.1	-176.2	0	113.2	R76 H108 S147	K72-R76 VanDerWaalsContact O-CD 3.3Å; K72-R76 WeakPolarHBondContact O-CD 3.39Å; K72-H108 PolarHBondContact O-CE1 3.44Å; K72-H108 PolarHBondContact O-NE2 3.08Å; K72-S147 PolarHBondContact N-O 3.27Å
73	F	84.7	Confident	62.3	Low	1 Å²	1	78.3 Å²	78.3	0%	0.004	43%	0.434	C	S	.	.	S	Bend	trans	-116.3	-67.2	-176.2	-169.4	-100.5	0	0	0	112.7	G71 M81 H108 T111 F112 L146 F169	G71-F73 PolarHBondContact O-N 2.96Å; F73-M81 WeakPolarHBondContact O-CE 3.4Å; F73-H108 AromaticContact CD2-ND1 3.74Å; F73-T111 HydrophobicContact CD2-CG2 4.25Å; F73-T111 HydrophobicContact CE2-CG2 3.6Å; F73-T111 HydrophobicContact CZ-CG2 3.85Å; F73-F112 HydrophobicContact CE2-CD2 4.45Å; F73-F112 HydrophobicContact CE2-CE1 4Å; F73-F112 AromaticContact CE2-CE2 3.88Å; F73-F112 HydrophobicContact CE2-CE2 3.88Å; F73-F112 AromaticContact CE2-CZ 3.6Å; F73-F112 HydrophobicContact CE2-CZ 3.6Å; F73-F112 HydrophobicContact CZ-CD1 4.36Å; F73-F112 AromaticContact CZ-CE1 3.69Å; F73-F112 HydrophobicContact CZ-CE1 3.69Å; F73-F112 HydrophobicContact CZ-CE2 4.4Å; F73-F112 AromaticContact CZ-CZ 3.7Å; F73-F112 HydrophobicContact CZ-CZ 3.7Å; F73-L146 HydrophobicContact CB-CB 4.12Å; F73-L146 HydrophobicContact CD1-CB 4.09Å; F73-L146 HydrophobicContact CD1-CD1 4.08Å; F73-L146 HydrophobicContact CE1-CD1 4.09Å; F73-L146 HydrophobicContact CG-CB 4.22Å; F73-F169 HydrophobicContact CD1-CD2 4.27Å; F73-F169 HydrophobicContact CE1-CB 4.16Å; F73-F169 AromaticContact CE1-CD2 3.78Å; F73-F169 HydrophobicContact CE1-CD2 3.78Å; F73-F169 HydrophobicContact CE1-CG 4.2Å; F73-F169 HydrophobicContact CZ-CD2 4.02Å; F73-F169 HydrophobicContact CZ-CG 4.39Å
74	F	89.5	Confident	63.1	Low	9 Å²	9	74.2 Å²	74.2	4%	0.039	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	138.9	179.2	-59.1	-75.1	0	0	0	111.5	G71 R76 K143 L146 V165 E168 F169	G71-F74 PolarHBondContact N-O 3.23Å; F74-R76 VanDerWaalsContact C-N 3.33Å; F74-R76 PolarHBondContact O-N 2.86Å; F74-K143 HydrophobicContact CE2-CB 4.21Å; F74-K143 HydrophobicContact CE2-CG 4.06Å; F74-K143 HydrophobicContact CZ-CG 4.12Å; F74-L146 HydrophobicContact CE2-CB 3.82Å; F74-L146 HydrophobicContact CE2-CD1 4.03Å; F74-L146 HydrophobicContact CZ-CD1 3.88Å; F74-V165 HydrophobicContact CZ-CG1 4.24Å; F74-E168 HydrophobicContact CD1-CB 4.3Å; F74-E168 HydrophobicContact CD1-CG 3.69Å; F74-E168 HydrophobicContact CE1-CB 3.72Å; F74-E168 HydrophobicContact CE1-CG 3.47Å; F74-E168 VanDerWaalsContact CE1-CG 3.47Å; F74-E168 HydrophobicContact CZ-CB 4.43Å; F74-E168 HydrophobicContact CZ-CG 4.12Å; F74-F169 HydrophobicContact CD1-CB 4.39Å; F74-F169 HydrophobicContact CE1-CB 4.14Å
75	G	88	Confident	63.3	Low	20 Å²	20	69.7 Å²	69.7	21%	0.206	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-10.7	178	0	0	0	0	0	115.7	S172 P174	G75-S172 VanDerWaalsContact CA-O 3.3Å; G75-S172 WeakPolarHBondContact CA-O 3.34Å; G75-S172 PolarHBondContact N-OG 3.5Å; G75-S172 VanDerWaalsContact N-OG 3.14Å; G75-P174 WeakPolarHBondContact O-CD 2.9Å; G75-P174 VanDerWaalsContact O-CG 3.23Å; G75-P174 WeakPolarHBondContact O-CG 3.31Å
76	R	85.4	Confident	63.7	Low	85 Å²	85	65.2 Å²	65.2	32%	0.321	37%	0.367	S	S	.	.			trans	-81.9	136.4	178.6	-108.1	179.5	161.7	-141.7	-5.4	111.4	K72 F74 M81 D84 L173	K72-R76 VanDerWaalsContact O-CD 3.3Å; K72-R76 WeakPolarHBondContact O-CD 3.39Å; F74-R76 VanDerWaalsContact C-N 3.33Å; F74-R76 PolarHBondContact O-N 2.86Å; R76-M81 HydrophobicContact CB-CE 3.48Å; R76-M81 VanDerWaalsContact CB-CE 3.48Å; R76-M81 HydrophobicContact CB-CG 4.29Å; R76-D84 IonicContact CZ-OD2 2.67Å; R76-D84 IonicContact NH1-OD2 3.27Å; R76-D84 PolarHBondContact NH1-OD2 2.91Å; R76-L173 WeakPolarHBondContact O-CD2 3.24Å
77	P	83.2	Confident	63.8	Low	42 Å²	42	57.7 Å²	57.7	27%	0.273	33%	0.332	S	S	.	.			trans	-56.6	142.3	171	-20.7	28.9	0	0	0	112.3	S79 D80 M81 P174	P77-S79 WeakPolarHBondContact CB-OG 3.48Å; P77-S79 PolarHBondContact O-N 3.4Å; P77-D80 HydrophobicContact CB-CB 4.43Å; P77-D80 WeakPolarHBondContact CG-OD2 3.48Å; P77-D80 PolarHBondContact O-N 3.45Å; P77-M81 PolarHBondContact O-N 3.25Å; P77-P174 HydrophobicContact CG-CG 3.96Å
78	L	80.4	Confident	63.7	Low	6 Å²	6	58.6 Å²	58.6	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-56.6	-34.9	173.8	-80.6	170.1	0	0	0	112.2	D80 M81 S82 F169 L173 A177 N213 F216	L78-D80 VanDerWaalsContact C-N 3.31Å; L78-D80 PolarHBondContact O-N 3.12Å; L78-M81 PolarHBondContact O-N 3.47Å; L78-S82 PolarHBondContact O-N 3.29Å; L78-F169 HydrophobicContact CD2-CE1 4.13Å; L78-F169 HydrophobicContact CD2-CZ 3.7Å; L78-F169 HydrophobicContact CG-CZ 4.37Å; L78-L173 HydrophobicContact CD1-CD1 4.13Å; L78-L173 HydrophobicContact CG-CD1 4.31Å; L78-L173 HydrophobicContact CG-CD2 4Å; L78-A177 HydrophobicContact CD1-CB 4.4Å; L78-N213 HydrophobicContact CD1-CB 4.49Å; L78-F216 HydrophobicContact CD1-CB 4.26Å; L78-F216 HydrophobicContact CD1-CD1 4.34Å; L78-F216 HydrophobicContact CD1-CG 4.28Å; L78-F216 HydrophobicContact CD2-CB 4.43Å; L78-F216 HydrophobicContact CD2-CD2 4.2Å; L78-F216 HydrophobicContact CD2-CG 4.23Å
79	S	77.5	Confident	63.6	Low	50 Å²	50	59.8 Å²	59.8	35%	0.35	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-40.1	175.1	57.7	0	0	0	0	112.8	P77 S82 K83	P77-S79 WeakPolarHBondContact CB-OG 3.48Å; P77-S79 PolarHBondContact O-N 3.4Å; S79-S82 PolarHBondContact O-N 2.98Å; S79-S82 PolarHBondContact O-OG 3.28Å; S79-K83 PolarHBondContact O-N 2.99Å
80	D	77.4	Confident	63.4	Low	57 Å²	57	58.8 Å²	58.8	31%	0.305	31%	0.311	S	S	.	.	H	α-helix	trans	-77.3	-30.9	-177.9	-67.9	-13.9	0	0	0	111.4	P77 L78 S82 K83	P77-D80 HydrophobicContact CB-CB 4.43Å; P77-D80 WeakPolarHBondContact CG-OD2 3.48Å; P77-D80 PolarHBondContact O-N 3.45Å; L78-D80 VanDerWaalsContact C-N 3.31Å; L78-D80 PolarHBondContact O-N 3.12Å; D80-S82 VanDerWaalsContact C-N 3.29Å; D80-K83 IonicContact OD1-NZ 3.77Å
81	M	71.9	Confident	63	Low	4 Å²	4	57.7 Å²	57.7	2%	0.02	29%	0.291	C	S	.	.	H	α-helix	trans	-67.6	-31.2	170.3	-61.5	-176.8	171.8	0	0	112.4	F73 R76 P77 L78 D84 F112 F169	F73-M81 WeakPolarHBondContact O-CE 3.4Å; R76-M81 HydrophobicContact CB-CE 3.48Å; R76-M81 VanDerWaalsContact CB-CE 3.48Å; R76-M81 HydrophobicContact CB-CG 4.29Å; P77-M81 PolarHBondContact O-N 3.25Å; L78-M81 PolarHBondContact O-N 3.47Å; M81-D84 PolarHBondContact O-N 3.07Å; M81-F112 HydrophobicContact SD-CE2 3.88Å; M81-F112 HydrophobicContact SD-CZ 4.06Å; M81-F169 HydrophobicContact CE-CE2 3.62Å; M81-F169 HydrophobicContact CE-CZ 4.36Å; M81-F169 HydrophobicContact SD-CE2 3.87Å; M81-F169 HydrophobicContact SD-CZ 4.05Å
82	S	58.8	Low	61.8	Low	39 Å²	39	64.2 Å²	64.2	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-74.5	-26.8	179.5	81.6	0	0	0	0	113.7	L78 S79 D80 D84 D85	L78-S82 PolarHBondContact O-N 3.29Å; S79-S82 PolarHBondContact O-N 2.98Å; S79-S82 PolarHBondContact O-OG 3.28Å; D80-S82 VanDerWaalsContact C-N 3.29Å; S82-D84 PolarHBondContact O-N 3.48Å; S82-D85 PolarHBondContact O-N 2.81Å
83	K	52.5	Low	59.6	Low	159 Å²	159	61.5 Å²	61.5	69%	0.691	31%	0.311	S	S	*	.	H	α-helix	trans	-70.6	-25.4	176.1	-70.6	173.1	-174.7	166.1	0	111.9	S79 D80 D85	S79-K83 PolarHBondContact O-N 2.99Å; D80-K83 IonicContact OD1-NZ 3.77Å; K83-D85 PolarHBondContact O-N 3.43Å
84	D	50.7	Low	57	Low	66 Å²	66	65.1 Å²	65.1	35%	0.353	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	42	174.2	-65.4	-31	0	0	0	110.9	R76 M81 S82 C106	R76-D84 IonicContact CZ-OD2 2.67Å; R76-D84 IonicContact NH1-OD2 3.27Å; R76-D84 PolarHBondContact NH1-OD2 2.91Å; M81-D84 PolarHBondContact O-N 3.07Å; S82-D84 PolarHBondContact O-N 3.48Å; D84-C106 HydrophobicContact CB-CB 4.49Å; D84-C106 WeakPolarHBondContact O-CB 3.16Å; D84-C106 PolarHBondContact O-SG 3.18Å
85	D	42.1	Very low	54.1	Low	74 Å²	74	74.2 Å²	74.2	40%	0.396	37%	0.366	S	S	.	.	S	Bend	trans	83.1	150	171.5	-118.4	-9.3	0	0	0	117.2	S82 K83 L87 C106 I109	S82-D85 PolarHBondContact O-N 2.81Å; K83-D85 PolarHBondContact O-N 3.43Å; D85-L87 PolarHBondContact O-N 2.9Å; D85-L87 VanDerWaalsContact O-N 3.08Å; D85-C106 HydrophobicContact CB-CB 4.04Å; D85-I109 HydrophobicContact CB-CD1 3.62Å; D85-I109 WeakPolarHBondContact O-CD1 3.33Å; D85-I109 WeakPolarHBondContact O-CG1 3.14Å
86	Y	43.7	Very low	51.2	Low	90 Å²	90	83.7 Å²	83.7	35%	0.353	40%	0.397	S	S	.	.			trans	24.2	36.7	165.3	-41.5	-99.1	0	0	0	126.6	L88 H89 H90 I109	Y86-L88 PolarHBondContact O-N 3.44Å; Y86-H89 HydrophobicContact CD1-CB 3.33Å; Y86-H89 HydrophobicContact CE1-CB 3.81Å; Y86-H89 HydrophobicContact CG-CB 4.28Å; Y86-H90 WeakPolarHBondContact CB-CD2 3.4Å; Y86-H90 HydrophobicContact CD1-CB 4.32Å; Y86-H90 AromaticContact CD1-CD2 3.24Å; Y86-H90 WeakPolarHBondContact CD1-CD2 3.44Å; Y86-H90 AromaticContact CD1-CG 3.68Å; Y86-H90 AromaticContact CD1-NE2 3.61Å; Y86-H90 AromaticContact CD2-CD2 3.76Å; Y86-H90 AromaticContact CD2-NE2 3.99Å; Y86-H90 AromaticContact CE1-CD2 3.98Å; Y86-H90 AromaticContact CE1-NE2 3.86Å; Y86-H90 AromaticContact CG-CD2 3.18Å; Y86-H90 AromaticContact CG-CG 3.96Å; Y86-H90 AromaticContact CG-NE2 3.76Å; Y86-I109 HydrophobicContact CD2-CD1 3.97Å; Y86-I109 HydrophobicContact CG-CD1 4.37Å; Y86-I109 WeakPolarHBondContact O-CG2 3.27Å
87	L	42.4	Very low	48.6	Very low	27 Å²	27	85.5 Å²	85.5	14%	0.141	41%	0.409	C	S	.	.	S	Bend	trans	-61.6	-35	152.3	-101.3	167.2	0	0	0	110	D85 L215	D85-L87 PolarHBondContact O-N 2.9Å; D85-L87 VanDerWaalsContact O-N 3.08Å; L87-L215 HydrophobicContact CB-CD2 4.4Å; L87-L215 WeakPolarHBondContact O-CD2 3.5Å
88	L	41.2	Very low	46	Very low	100 Å²	100	89 Å²	89	52%	0.524	43%	0.431	S	S	.	.	S	Bend	trans	-97.9	-26.4	-170.7	-79	147.6	0	0	0	115.9	Y86 L215	Y86-L88 PolarHBondContact O-N 3.44Å; L88-L215 HydrophobicContact CB-CD2 4.41Å; L88-L215 HydrophobicContact CD2-CD2 3.69Å; L88-L215 HydrophobicContact CG-CD2 3.7Å
89	H	38.5	Very low	43.8	Very low	143 Å²	143	99.4 Å²	99.4	66%	0.662	47%	0.47	S	S	*	.	S	Bend	trans	-98.3	-4.8	-173.1	-102.8	-53	0	0	0	115.7	Y86	Y86-H89 HydrophobicContact CD1-CB 3.33Å; Y86-H89 HydrophobicContact CE1-CB 3.81Å; Y86-H89 HydrophobicContact CG-CB 4.28Å
90	H	39.2	Very low	41.8	Very low	69 Å²	69	101.7 Å²	101.7	32%	0.319	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	15.3	-172.6	-97.9	-45.2	0	0	0	116.4	Y86 E92 V93	Y86-H90 WeakPolarHBondContact CB-CD2 3.4Å; Y86-H90 HydrophobicContact CD1-CB 4.32Å; Y86-H90 AromaticContact CD1-CD2 3.24Å; Y86-H90 WeakPolarHBondContact CD1-CD2 3.44Å; Y86-H90 AromaticContact CD1-CG 3.68Å; Y86-H90 AromaticContact CD1-NE2 3.61Å; Y86-H90 AromaticContact CD2-CD2 3.76Å; Y86-H90 AromaticContact CD2-NE2 3.99Å; Y86-H90 AromaticContact CE1-CD2 3.98Å; Y86-H90 AromaticContact CE1-NE2 3.86Å; Y86-H90 AromaticContact CG-CD2 3.18Å; Y86-H90 AromaticContact CG-CG 3.96Å; Y86-H90 AromaticContact CG-NE2 3.76Å; H90-E92 VanDerWaalsContact C-N 3.29Å; H90-V93 PolarHBondContact CE1-O 3.35Å; H90-V93 PolarHBondContact ND1-O 3.27Å
91	I	39.8	Very low	39.7	Very low	35 Å²	35	101.7 Å²	101.7	18%	0.179	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.8	162.7	-55	-173.3	0	0	0	110.9	L25 L215 Y219	L25-I91 HydrophobicContact CD2-CG2 3.93Å; L25-I91 HydrophobicContact CG-CG2 4.17Å; I91-L215 HydrophobicContact CD1-CD1 4.31Å; I91-Y219 HydrophobicContact CD1-CE2 3.87Å; I91-Y219 WeakPolarHBondContact CD1-OH 3.11Å; I91-Y219 WeakPolarHBondContact CG1-OH 3.41Å
92	E	34.3	Very low	37.9	Very low	150 Å²	150	110.2 Å²	110.2	70%	0.701	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-16.7	179.4	-76	-173	148.9	0	0	115.7	H90 L94	H90-E92 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 3.5Å
93	V	31.2	Very low	36.5	Very low	65 Å²	65	111.1 Å²	111.1	39%	0.394	56%	0.556	S	S	.	*			trans	-105.7	85.3	-175.8	-171	0	0	0	0	111.8	H90 Y95	H90-V93 PolarHBondContact CE1-O 3.35Å; H90-V93 PolarHBondContact ND1-O 3.27Å; V93-Y95 VanDerWaalsContact C-N 3.27Å
94	L	29.9	Very low	35.7	Very low	78 Å²	78	108 Å²	108	41%	0.408	56%	0.56	S	S	.	*			trans	-96	40.2	165.5	-68.4	145.1	0	0	0	111	L31 E92	L31-L94 HydrophobicContact CB-CD2 4.21Å; L31-L94 HydrophobicContact CD1-CD1 3.07Å; L31-L94 HydrophobicContact CD1-CD2 3.71Å; L31-L94 HydrophobicContact CD1-CG 3.94Å; L31-L94 HydrophobicContact CD2-CB 4.29Å; L31-L94 HydrophobicContact CD2-CD1 3.74Å; L31-L94 HydrophobicContact CD2-CD2 3.99Å; L31-L94 HydrophobicContact CD2-CG 4.2Å; L31-L94 HydrophobicContact CG-CD1 3.95Å; L31-L94 HydrophobicContact CG-CD2 4.15Å; E92-L94 PolarHBondContact O-N 3.5Å
95	Y	27.4	Very low	35.4	Very low	200 Å²	200	112.7 Å²	112.7	78%	0.784	57%	0.574	S	S	*	*			trans	-118.7	120.2	179.1	-90.2	-89.8	0	0	0	111.6	V93 H97	V93-Y95 VanDerWaalsContact C-N 3.27Å; Y95-H97 PolarHBondContact O-N 3.34Å
96	Y	27.6	Very low	35.7	Very low	218 Å²	218	110.1 Å²	110.1	86%	0.855	56%	0.561	S	S	*	*			trans	-41.3	119.2	156.1	-127.8	-100.3	0	0	0	109.7
97	H	30	Very low	36.1	Very low	123 Å²	123	110 Å²	110	57%	0.569	56%	0.564	S	S	*	*			trans	-106.2	108.2	168.3	-168.3	-89.1	0	0	0	109.4	Y95 R99 V100	Y95-H97 PolarHBondContact O-N 3.34Å; H97-R99 PolarHBondContact O-N 3.05Å; H97-V100 HydrophobicContact CB-CG2 4.41Å; H97-V100 WeakPolarHBondContact ND1-CG2 3.09Å
98	P	30.3	Very low	36.8	Very low	115 Å²	115	109.7 Å²	109.7	75%	0.747	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	23.1	-171.1	30.8	-34.6	0	0	0	114.9
99	R	32.4	Very low	37.6	Very low	226 Å²	226	106.1 Å²	106.1	85%	0.853	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	11.9	-175.1	-69.9	-172.2	-180	-177.7	0.6	116.4	H97	H97-R99 PolarHBondContact O-N 3.05Å
100	V	37.1	Very low	39.1	Very low	97 Å²	97	100.8 Å²	100.8	59%	0.588	52%	0.522	S	S	*	.	S	Bend	trans	-112.2	115.1	175.3	-146.3	0	0	0	0	109	H97	H97-V100 HydrophobicContact CB-CG2 4.41Å; H97-V100 WeakPolarHBondContact ND1-CG2 3.09Å
101	G	32.2	Very low	41.1	Very low	58 Å²	58	97.7 Å²	97.7	60%	0.598	51%	0.508	S	S	*	.			trans	-57.8	160.4	-179.6	0	0	0	0	0	112.5	G103	G101-G103 PolarHBondContact O-N 3.38Å
102	L	34.1	Very low	43.3	Very low	182 Å²	182	96.3 Å²	96.3	95%	0.953	50%	0.5	S	S	*	.	S	Bend	trans	-61.1	37.3	178.5	-87	135.3	0	0	0	115
103	G	30.2	Very low	45.3	Very low	59 Å²	59	94.3 Å²	94.3	61%	0.608	49%	0.489	S	S	*	.	S	Bend	trans	-105.6	113.7	177.1	0	0	0	0	0	110.7	G101	G101-G103 PolarHBondContact O-N 3.38Å
104	A	35.5	Very low	47.8	Very low	93 Å²	93	93.4 Å²	93.4	77%	0.769	48%	0.479	S	S	*	.			trans	60.6	53.7	164.5	0	0	0	0	0	117	C106	A104-C106 PolarHBondContact O-N 3.5Å; A104-C106 VanDerWaalsContact O-N 3.17Å
105	Y	44	Very low	50.7	Low	164 Å²	164	89.7 Å²	89.7	64%	0.643	46%	0.459	S	S	*	.			trans	-60.3	121.1	154.3	-77.8	-87.5	0	0	0	108.1	H107	Y105-H107 PolarHBondContact O-N 2.92Å
106	C	49.5	Very low	53.6	Low	21 Å²	21	80.8 Å²	80.8	14%	0.142	43%	0.425	C	S	.	.			trans	-61.7	106.9	175.1	158.9	0	0	0	0	110.2	D84 D85 A104 H108 I109	D84-C106 HydrophobicContact CB-CB 4.49Å; D84-C106 WeakPolarHBondContact O-CB 3.16Å; D84-C106 PolarHBondContact O-SG 3.18Å; D85-C106 HydrophobicContact CB-CB 4.04Å; A104-C106 PolarHBondContact O-N 3.5Å; A104-C106 VanDerWaalsContact O-N 3.17Å; C106-H108 PolarHBondContact O-N 3.26Å; C106-H108 VanDerWaalsContact SG-CB 3.53Å; C106-H108 PolarHBondContact SG-N 2.98Å; C106-I109 HydrophobicContact CB-CD1 3.44Å; C106-I109 VanDerWaalsContact CB-CD1 3.44Å; C106-I109 HydrophobicContact CB-CG1 4.27Å; C106-I109 PolarHBondContact O-N 2.73Å; C106-I109 WeakPolarHBondContact SG-CD1 3.26Å; C106-I109 VanDerWaalsContact SG-CG1 3.59Å; C106-I109 PolarHBondContact SG-N 3.37Å
107	H	52.1	Low	56.3	Low	88 Å²	88	72.6 Å²	72.6	41%	0.407	40%	0.399	S	S	.	.	H	α-helix	trans	-56.9	-18.7	176.6	-67.5	-74.7	0	0	0	112.5	Y105 S110 T111	Y105-H107 PolarHBondContact O-N 2.92Å; H107-S110 PolarHBondContact O-OG 3.48Å; H107-S110 VanDerWaalsContact O-OG 3.08Å; H107-T111 VanDerWaalsContact O-CB 3.29Å; H107-T111 WeakPolarHBondContact O-CB 3.36Å; H107-T111 PolarHBondContact O-N 2.87Å; H107-T111 VanDerWaalsContact O-N 3.1Å; H107-T111 PolarHBondContact O-OG1 3.18Å
108	H	56.2	Low	59.2	Low	20 Å²	20	67.5 Å²	67.5	9%	0.093	38%	0.376	C	S	.	.	H	α-helix	trans	-77.1	-41.3	-177.1	-54.3	-57.7	0	0	0	112.9	K72 F73 C106 T111 F112	K72-H108 PolarHBondContact O-CE1 3.44Å; K72-H108 PolarHBondContact O-NE2 3.08Å; F73-H108 AromaticContact CD2-ND1 3.74Å; C106-H108 PolarHBondContact O-N 3.26Å; C106-H108 VanDerWaalsContact SG-CB 3.53Å; C106-H108 PolarHBondContact SG-N 2.98Å; H108-T111 WeakPolarHBondContact O-CB 3.26Å; H108-T111 PolarHBondContact O-N 3.46Å; H108-F112 WeakPolarHBondContact O-CD2 3.31Å; H108-F112 PolarHBondContact O-N 3.35Å
109	I	58.6	Low	62.3	Low	25 Å²	25	62 Å²	62	13%	0.128	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-45.8	177	-58.3	144.3	0	0	0	110.1	D85 Y86 C106 T111 F112 K113	D85-I109 HydrophobicContact CB-CD1 3.62Å; D85-I109 WeakPolarHBondContact O-CD1 3.33Å; D85-I109 WeakPolarHBondContact O-CG1 3.14Å; Y86-I109 HydrophobicContact CD2-CD1 3.97Å; Y86-I109 HydrophobicContact CG-CD1 4.37Å; Y86-I109 WeakPolarHBondContact O-CG2 3.27Å; C106-I109 HydrophobicContact CB-CD1 3.44Å; C106-I109 VanDerWaalsContact CB-CD1 3.44Å; C106-I109 HydrophobicContact CB-CG1 4.27Å; C106-I109 PolarHBondContact O-N 2.73Å; C106-I109 WeakPolarHBondContact SG-CD1 3.26Å; C106-I109 VanDerWaalsContact SG-CG1 3.59Å; C106-I109 PolarHBondContact SG-N 3.37Å; I109-T111 VanDerWaalsContact C-N 3.27Å; I109-T111 PolarHBondContact O-N 3.04Å; I109-F112 PolarHBondContact O-N 2.76Å; I109-K113 VanDerWaalsContact O-CB 3.31Å; I109-K113 WeakPolarHBondContact O-CB 3.48Å; I109-K113 PolarHBondContact O-N 3.49Å
110	S	69.3	Low	65	Low	31 Å²	31	52.5 Å²	52.5	22%	0.217	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-38	177.9	70.4	0	0	0	0	110.8	H107 R114	H107-S110 PolarHBondContact O-OG 3.48Å; H107-S110 VanDerWaalsContact O-OG 3.08Å; S110-R114 VanDerWaalsContact O-CB 3.28Å; S110-R114 WeakPolarHBondContact O-CB 3.41Å; S110-R114 WeakPolarHBondContact O-CD 3.4Å; S110-R114 WeakPolarHBondContact O-CG 3.34Å; S110-R114 PolarHBondContact O-N 3.1Å
111	T	82.3	Confident	67.4	Low	4 Å²	4	52.1 Å²	52.1	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-52.3	176.7	-62.8	0	0	0	0	111.8	F73 H107 H108 I109 R114 L115 L146 F154	F73-T111 HydrophobicContact CD2-CG2 4.25Å; F73-T111 HydrophobicContact CE2-CG2 3.6Å; F73-T111 HydrophobicContact CZ-CG2 3.85Å; H107-T111 VanDerWaalsContact O-CB 3.29Å; H107-T111 WeakPolarHBondContact O-CB 3.36Å; H107-T111 PolarHBondContact O-N 2.87Å; H107-T111 VanDerWaalsContact O-N 3.1Å; H107-T111 PolarHBondContact O-OG1 3.18Å; H108-T111 WeakPolarHBondContact O-CB 3.26Å; H108-T111 PolarHBondContact O-N 3.46Å; I109-T111 VanDerWaalsContact C-N 3.27Å; I109-T111 PolarHBondContact O-N 3.04Å; T111-R114 PolarHBondContact O-N 3.45Å; T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 PolarHBondContact O-N 3.49Å; T111-L146 HydrophobicContact CG2-CD2 3.61Å; T111-F154 HydrophobicContact CG2-CE2 3.93Å; T111-F154 HydrophobicContact CG2-CZ 4.18Å
112	F	84.5	Confident	70.3	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-44.7	178.8	-75.3	-61.4	0	0	0	111.8	F73 M81 H108 I109 R114 L115 F116 F169 F216	F73-F112 HydrophobicContact CE2-CD2 4.45Å; F73-F112 HydrophobicContact CE2-CE1 4Å; F73-F112 AromaticContact CE2-CE2 3.88Å; F73-F112 HydrophobicContact CE2-CE2 3.88Å; F73-F112 AromaticContact CE2-CZ 3.6Å; F73-F112 HydrophobicContact CE2-CZ 3.6Å; F73-F112 HydrophobicContact CZ-CD1 4.36Å; F73-F112 AromaticContact CZ-CE1 3.69Å; F73-F112 HydrophobicContact CZ-CE1 3.69Å; F73-F112 HydrophobicContact CZ-CE2 4.4Å; F73-F112 AromaticContact CZ-CZ 3.7Å; F73-F112 HydrophobicContact CZ-CZ 3.7Å; M81-F112 HydrophobicContact SD-CE2 3.88Å; M81-F112 HydrophobicContact SD-CZ 4.06Å; H108-F112 WeakPolarHBondContact O-CD2 3.31Å; H108-F112 PolarHBondContact O-N 3.35Å; I109-F112 PolarHBondContact O-N 2.76Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.32Å; F112-L115 PolarHBondContact O-N 3.45Å; F112-F116 HydrophobicContact CB-CD2 4.39Å; F112-F116 HydrophobicContact CD1-CE2 4.27Å; F112-F116 VanDerWaalsContact O-CD2 3.32Å; F112-F116 WeakPolarHBondContact O-CD2 3.4Å; F112-F116 PolarHBondContact O-N 3.24Å; F112-F169 AromaticContact CE1-CD1 3.84Å; F112-F169 HydrophobicContact CE1-CD1 3.84Å; F112-F169 HydrophobicContact CE1-CD2 4.34Å; F112-F169 AromaticContact CE1-CE1 3.69Å; F112-F169 HydrophobicContact CE1-CE1 3.69Å; F112-F169 HydrophobicContact CE1-CE2 4.23Å; F112-F169 HydrophobicContact CE1-CG 4.16Å; F112-F169 AromaticContact CE1-CZ 3.89Å; F112-F169 HydrophobicContact CE1-CZ 3.89Å; F112-F169 HydrophobicContact CE2-CZ 4.42Å; F112-F169 HydrophobicContact CZ-CD1 4.16Å; F112-F169 HydrophobicContact CZ-CD2 4.08Å; F112-F169 AromaticContact CZ-CE1 3.67Å; F112-F169 HydrophobicContact CZ-CE1 3.67Å; F112-F169 AromaticContact CZ-CE2 3.61Å; F112-F169 HydrophobicContact CZ-CE2 3.61Å; F112-F169 HydrophobicContact CZ-CG 4.35Å; F112-F169 AromaticContact CZ-CZ 3.36Å; F112-F169 HydrophobicContact CZ-CZ 3.36Å; F112-F216 AromaticContact CD1-CE2 3.96Å; F112-F216 HydrophobicContact CD1-CE2 3.96Å; F112-F216 AromaticContact CE1-CE2 3.73Å; F112-F216 HydrophobicContact CE1-CE2 3.73Å; F112-F216 HydrophobicContact CZ-CE2 4.4Å
113	K	77.7	Confident	73.2	Confident	108 Å²	108	45 Å²	45	47%	0.47	25%	0.247	S	C	.	.	H	α-helix	trans	-57.6	-47.6	177.9	-175	173.8	-178.8	172	0	111.4	I109 S117	I109-K113 VanDerWaalsContact O-CB 3.31Å; I109-K113 WeakPolarHBondContact O-CB 3.48Å; I109-K113 PolarHBondContact O-N 3.49Å; K113-S117 WeakPolarHBondContact O-CB 3.32Å; K113-S117 PolarHBondContact O-N 3.37Å; K113-S117 PolarHBondContact O-OG 3.18Å
114	R	83.7	Confident	76.2	Confident	46 Å²	46	43.5 Å²	43.5	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-42	177.4	-70.7	169.4	-178	-79	9.1	111.7	S110 T111 F112 H118 E151 V152 F153 F154 E155	S110-R114 VanDerWaalsContact O-CB 3.28Å; S110-R114 WeakPolarHBondContact O-CB 3.41Å; S110-R114 WeakPolarHBondContact O-CD 3.4Å; S110-R114 WeakPolarHBondContact O-CG 3.34Å; S110-R114 PolarHBondContact O-N 3.1Å; T111-R114 PolarHBondContact O-N 3.45Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.32Å; R114-H118 VanDerWaalsContact O-CB 3.24Å; R114-H118 WeakPolarHBondContact O-CB 3.31Å; R114-H118 PolarHBondContact O-N 3.07Å; R114-E151 IonicContact CZ-OE1 2.79Å; R114-E151 IonicContact NE-OE1 3.83Å; R114-E151 PolarHBondContact NE-OE1 2.82Å; R114-E151 IonicContact NH2-OE1 3.75Å; R114-E151 PolarHBondContact NH2-OE1 3.25Å; R114-V152 VanDerWaalsContact CD-O 3.32Å; R114-V152 WeakPolarHBondContact CD-O 3.27Å; R114-F153 VanDerWaalsContact CZ-CD1 3.48Å; R114-F153 VanDerWaalsContact CZ-CE1 3.43Å; R114-F153 VanDerWaalsContact NH2-CZ 3.3Å; R114-F154 HydrophobicContact CB-CD2 3.86Å; R114-E155 IonicContact NH1-OE1 3.64Å
115	L	90.6	Very high	79.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-53	179.5	178.4	61.4	0	0	0	111.4	T111 F112 H118 L119 F154 S162 V165 L166	T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 PolarHBondContact O-N 3.49Å; F112-L115 PolarHBondContact O-N 3.45Å; L115-H118 PolarHBondContact O-N 2.71Å; L115-L119 HydrophobicContact CD1-CD1 4.07Å; L115-L119 HydrophobicContact CG-CD1 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.22Å; L115-L119 PolarHBondContact O-N 2.93Å; L115-F154 HydrophobicContact CB-CD2 4.03Å; L115-F154 HydrophobicContact CB-CE2 3.78Å; L115-F154 HydrophobicContact CB-CZ 4.13Å; L115-F154 HydrophobicContact CD1-CD1 3.91Å; L115-F154 HydrophobicContact CD1-CD2 4.47Å; L115-F154 HydrophobicContact CD1-CE1 3.72Å; L115-F154 HydrophobicContact CD1-CE2 4.3Å; L115-F154 HydrophobicContact CD1-CG 4.28Å; L115-F154 HydrophobicContact CD1-CZ 3.92Å; L115-F154 HydrophobicContact CG-CZ 4.48Å; L115-S162 WeakPolarHBondContact CD1-O 3.43Å; L115-V165 HydrophobicContact CD1-CG1 4.47Å; L115-V165 HydrophobicContact CD2-CG1 4.27Å; L115-L166 HydrophobicContact CD2-CB 4.13Å; L115-L166 HydrophobicContact CD2-CD1 4.16Å
116	F	87.9	Confident	81.6	Confident	13 Å²	13	38.2 Å²	38.2	6%	0.057	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-42.9	178.2	-82.4	-75	0	0	0	111.7	F112 H118 L119 L120 L166 F216 L220 L223	F112-F116 HydrophobicContact CB-CD2 4.39Å; F112-F116 HydrophobicContact CD1-CE2 4.27Å; F112-F116 VanDerWaalsContact O-CD2 3.32Å; F112-F116 WeakPolarHBondContact O-CD2 3.4Å; F112-F116 PolarHBondContact O-N 3.24Å; F116-H118 VanDerWaalsContact C-N 3.33Å; F116-H118 PolarHBondContact O-N 3.33Å; F116-L119 PolarHBondContact O-N 3.49Å; F116-L120 WeakPolarHBondContact O-CB 3.37Å; F116-L120 WeakPolarHBondContact O-CG 3.12Å; F116-L120 PolarHBondContact O-N 3.32Å; F116-L166 HydrophobicContact CE1-CD2 4.37Å; F116-L166 HydrophobicContact CZ-CD1 4.3Å; F116-F216 HydrophobicContact CE2-CD2 4.43Å; F116-F216 AromaticContact CE2-CE2 3.92Å; F116-F216 HydrophobicContact CE2-CE2 3.92Å; F116-F216 HydrophobicContact CZ-CE2 4.06Å; F116-F216 HydrophobicContact CZ-CZ 4.28Å; F116-L220 HydrophobicContact CE1-CD1 4.43Å; F116-L220 HydrophobicContact CZ-CB 4.5Å; F116-L223 HydrophobicContact CD1-CB 4.32Å; F116-L223 HydrophobicContact CD1-CD2 4Å; F116-L223 HydrophobicContact CE1-CB 4.33Å; F116-L223 HydrophobicContact CE1-CD2 4.01Å
117	S	84.8	Confident	84	Confident	46 Å²	46	40.7 Å²	40.7	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-60.4	-44	177.6	-59.2	0	0	0	0	111.6	K113 L119 L120 N121	K113-S117 WeakPolarHBondContact O-CB 3.32Å; K113-S117 PolarHBondContact O-N 3.37Å; K113-S117 PolarHBondContact O-OG 3.18Å; S117-L119 PolarHBondContact O-N 2.91Å; S117-L120 PolarHBondContact O-N 2.88Å; S117-N121 VanDerWaalsContact O-CB 3.27Å; S117-N121 WeakPolarHBondContact O-CB 2.99Å; S117-N121 PolarHBondContact O-N 3Å; S117-N121 PolarHBondContact O-ND2 3.44Å
118	H	91.1	Very high	86.1	Confident	15 Å²	15	36.6 Å²	36.6	7%	0.069	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-39.7	177.9	-178.5	-126.8	0	0	0	112	R114 L115 F116 E122 G123 F154 F157 S162	R114-H118 VanDerWaalsContact O-CB 3.24Å; R114-H118 WeakPolarHBondContact O-CB 3.31Å; R114-H118 PolarHBondContact O-N 3.07Å; L115-H118 PolarHBondContact O-N 2.71Å; F116-H118 VanDerWaalsContact C-N 3.33Å; F116-H118 PolarHBondContact O-N 3.33Å; H118-E122 WeakPolarHBondContact O-CB 3.27Å; H118-E122 PolarHBondContact O-N 3.37Å; H118-G123 PolarHBondContact O-N 3.04Å; H118-F154 HydrophobicContact CB-CB 3.8Å; H118-F154 PolarHBondContact CE1-O 2.76Å; H118-F154 PolarHBondContact ND1-O 3.16Å; H118-F157 PolarHBondContact CE1-O 3.45Å; H118-F157 PolarHBondContact NE2-O 3.41Å; H118-S162 PolarHBondContact CE1-OG 3.43Å; H118-S162 PolarHBondContact ND1-OG 3.15Å
119	L	94.5	Very high	88.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-67.7	-39.1	176	-71.7	167.5	0	0	0	112.7	L115 F116 S117 G123 I124 I129 A163 L166 L223	L115-L119 HydrophobicContact CD1-CD1 4.07Å; L115-L119 HydrophobicContact CG-CD1 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.22Å; L115-L119 PolarHBondContact O-N 2.93Å; F116-L119 PolarHBondContact O-N 3.49Å; S117-L119 PolarHBondContact O-N 2.91Å; L119-G123 CarbonylContact O-C 3.51Å; L119-G123 WeakPolarHBondContact O-CA 3.41Å; L119-G123 PolarHBondContact O-N 3.07Å; L119-I124 PolarHBondContact O-N 3.19Å; L119-I129 HydrophobicContact CD2-CD1 4.21Å; L119-A163 HydrophobicContact CD2-CB 4.16Å; L119-L166 HydrophobicContact CD1-CB 4.46Å; L119-L166 HydrophobicContact CD1-CD2 3.77Å; L119-L223 HydrophobicContact CB-CD1 3.82Å; L119-L223 HydrophobicContact CB-CD2 3.96Å; L119-L223 HydrophobicContact CD1-CD2 3.8Å; L119-L223 HydrophobicContact CG-CD2 4.46Å
120	L	89.5	Confident	90	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.131	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-35.8	176.6	-73	169	0	0	0	112.2	F116 S117 I124 Y222 L223 C226	F116-L120 WeakPolarHBondContact O-CB 3.37Å; F116-L120 WeakPolarHBondContact O-CG 3.12Å; F116-L120 PolarHBondContact O-N 3.32Å; S117-L120 PolarHBondContact O-N 2.88Å; L120-I124 WeakPolarHBondContact O-CD1 3.19Å; L120-I124 VanDerWaalsContact O-CG1 3.27Å; L120-I124 WeakPolarHBondContact O-CG1 3.15Å; L120-Y222 HydrophobicContact CD1-CD1 4.23Å; L120-Y222 HydrophobicContact CD1-CE1 4.01Å; L120-Y222 HydrophobicContact CD2-CD1 4Å; L120-Y222 HydrophobicContact CD2-CE1 3.78Å; L120-L223 HydrophobicContact CD2-CB 4.38Å; L120-L223 HydrophobicContact CD2-CD1 3.77Å; L120-L223 HydrophobicContact CG-CD1 4.08Å; L120-C226 HydrophobicContact CD2-CB 4.04Å
121	N	87.4	Confident	91.4	Very high	90 Å²	90	39.8 Å²	39.8	48%	0.481	19%	0.191	S	C	.	.	H	α-helix	trans	-82.9	-43.2	-178	-67.6	-19.7	0	0	0	112.8	S117 K125	S117-N121 VanDerWaalsContact O-CB 3.27Å; S117-N121 WeakPolarHBondContact O-CB 2.99Å; S117-N121 PolarHBondContact O-N 3Å; S117-N121 PolarHBondContact O-ND2 3.44Å; N121-K125 WeakPolarHBondContact O-CE 3.29Å; N121-K125 PolarHBondContact O-NZ 3.29Å
122	E	92.6	Very high	92.1	Very high	91 Å²	91	45 Å²	45	43%	0.425	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-32.1	-172	-59.2	-52.9	128.1	0	0	112.9	H118 K125 M126 P159	H118-E122 WeakPolarHBondContact O-CB 3.27Å; H118-E122 PolarHBondContact O-N 3.37Å; E122-K125 PolarHBondContact O-N 3.27Å; E122-K125 IonicContact OE1-NZ 2.87Å; E122-M126 PolarHBondContact O-N 3.12Å; E122-P159 HydrophobicContact CB-CG 3.8Å
123	G	94.9	Very high	92.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-66	-40.2	-179.5	0	0	0	0	0	113.9	H118 L119 K125 M126	H118-G123 PolarHBondContact O-N 3.04Å; L119-G123 CarbonylContact O-C 3.51Å; L119-G123 WeakPolarHBondContact O-CA 3.41Å; L119-G123 PolarHBondContact O-N 3.07Å; G123-K125 PolarHBondContact O-N 2.79Å; G123-K125 VanDerWaalsContact O-N 3.1Å; G123-M126 WeakPolarHBondContact O-CB 3.49Å; G123-M126 PolarHBondContact O-N 3.49Å
124	I	94.1	Very high	93.6	Very high	26 Å²	26	44.7 Å²	44.7	13%	0.133	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-64.1	-16.3	179.6	68.8	174.7	0	0	0	113.4	L119 L120 L223 C226 V227 N230 N234	L119-I124 PolarHBondContact O-N 3.19Å; L120-I124 WeakPolarHBondContact O-CD1 3.19Å; L120-I124 VanDerWaalsContact O-CG1 3.27Å; L120-I124 WeakPolarHBondContact O-CG1 3.15Å; I124-L223 HydrophobicContact CG2-CD1 4.48Å; I124-C226 HydrophobicContact CG2-CB 3.95Å; I124-V227 HydrophobicContact CG2-CG2 4.1Å; I124-N230 HydrophobicContact CB-CB 4.35Å; I124-N230 WeakPolarHBondContact O-CB 3.41Å; I124-N234 WeakPolarHBondContact O-CB 3.27Å; I124-N234 PolarHBondContact O-ND2 3.34Å
125	K	95.7	Very high	94.2	Very high	108 Å²	108	49.6 Å²	49.6	47%	0.47	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-97.4	-12.6	177.9	-55.9	168.5	-170.8	152.7	0	112.5	N121 E122 G123 P127	N121-K125 WeakPolarHBondContact O-CE 3.29Å; N121-K125 PolarHBondContact O-NZ 3.29Å; E122-K125 PolarHBondContact O-N 3.27Å; E122-K125 IonicContact OE1-NZ 2.87Å; G123-K125 PolarHBondContact O-N 2.79Å; G123-K125 VanDerWaalsContact O-N 3.1Å; K125-P127 WeakPolarHBondContact O-CD 3.07Å
126	M	97.5	Very high	94.5	Very high	38 Å²	38	54.5 Å²	54.5	19%	0.187	27%	0.269	C	S	.	.	S	Bend	trans	-80.8	119.1	-171.4	176	67.9	-156.9	0	0	111.6	E122 G123 G128 I129 K132 P159 N234	E122-M126 PolarHBondContact O-N 3.12Å; G123-M126 WeakPolarHBondContact O-CB 3.49Å; G123-M126 PolarHBondContact O-N 3.49Å; M126-G128 PolarHBondContact O-N 3.04Å; M126-I129 HydrophobicContact CB-CB 4.26Å; M126-I129 HydrophobicContact CB-CD1 4.26Å; M126-I129 HydrophobicContact CG-CD1 4.29Å; M126-I129 PolarHBondContact O-N 3.49Å; M126-I129 VanDerWaalsContact O-N 3.1Å; M126-K132 HydrophobicContact CE-CD 3.82Å; M126-P159 HydrophobicContact CB-CB 4.14Å; M126-P159 HydrophobicContact CB-CG 4.41Å; M126-P159 HydrophobicContact CG-CB 4.32Å; M126-N234 WeakPolarHBondContact O-CB 3.32Å
127	P	98.3	Very high	94.9	Very high	73 Å²	73	57.4 Å²	57.4	47%	0.474	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	123.9	176.8	-26.4	36.4	0	0	0	112.8	K125 N234	K125-P127 WeakPolarHBondContact O-CD 3.07Å; P127-N234 CarbonylContact C-O 3.58Å; P127-N234 WeakPolarHBondContact CA-O 3.31Å
128	G	97.9	Very high	95.3	Very high	2 Å²	2	56.3 Å²	56.3	2%	0.021	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	29.9	-177.9	0	0	0	0	0	114	M126 R131 K132 N234	M126-G128 PolarHBondContact O-N 3.04Å; G128-R131 CarbonylContact O-C 3.41Å; G128-R131 WeakPolarHBondContact O-CA 2.93Å; G128-R131 WeakPolarHBondContact O-CB 3.36Å; G128-R131 PolarHBondContact O-N 2.76Å; G128-K132 WeakPolarHBondContact O-CB 3.4Å; G128-K132 PolarHBondContact O-N 3.35Å; G128-N234 PolarHBondContact N-O 3.05Å
129	I	98.5	Very high	95.6	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	142.1	173.4	-168.1	62.5	0	0	0	110.9	L119 M126 R131 P159 A163 V227 N234 M236	L119-I129 HydrophobicContact CD2-CD1 4.21Å; M126-I129 HydrophobicContact CB-CB 4.26Å; M126-I129 HydrophobicContact CB-CD1 4.26Å; M126-I129 HydrophobicContact CG-CD1 4.29Å; M126-I129 PolarHBondContact O-N 3.49Å; M126-I129 VanDerWaalsContact O-N 3.1Å; I129-R131 PolarHBondContact O-N 3.1Å; I129-P159 HydrophobicContact CD1-CB 3.92Å; I129-A163 HydrophobicContact CD1-CB 3.67Å; I129-A163 HydrophobicContact CG1-CB 4.26Å; I129-V227 HydrophobicContact CG2-CG1 3.8Å; I129-V227 HydrophobicContact CG2-CG2 4.24Å; I129-N234 HydrophobicContact CG2-CB 4.36Å; I129-M236 HydrophobicContact CG2-CG 4.03Å; I129-M236 WeakPolarHBondContact O-CE 3.32Å; I129-M236 WeakPolarHBondContact O-CG 3.15Å
130	F	98.2	Very high	95.7	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.013	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-24.7	-168.4	-60.9	-77.4	0	0	0	117.2	A163 L166 K167 L223 V227 L241 C244 L245	F130-A163 HydrophobicContact CD1-CB 3.66Å; F130-A163 HydrophobicContact CE1-CB 3.77Å; F130-A163 HydrophobicContact CG-CB 4.13Å; F130-A163 HydrophobicContact CZ-CB 4.33Å; F130-L166 HydrophobicContact CE1-CD2 4.1Å; F130-L166 HydrophobicContact CZ-CD2 4.13Å; F130-K167 HydrophobicContact CD1-CD 4.22Å; F130-K167 HydrophobicContact CD1-CG 4.07Å; F130-K167 PolarHBondContact O-NZ 3.23Å; F130-L223 HydrophobicContact CE2-CD2 4.48Å; F130-L223 HydrophobicContact CZ-CD2 3.95Å; F130-V227 HydrophobicContact CE2-CG2 4.28Å; F130-L241 HydrophobicContact CB-CD1 4.04Å; F130-L241 HydrophobicContact CD2-CD1 3.53Å; F130-L241 HydrophobicContact CE2-CD1 4.27Å; F130-L241 HydrophobicContact CG-CD1 3.98Å; F130-C244 HydrophobicContact CB-CB 4.17Å; F130-L245 HydrophobicContact CD1-CD1 4.17Å; F130-L245 HydrophobicContact CE1-CD1 4.2Å
131	R	97.9	Very high	95.8	Very high	140 Å²	140	61 Å²	61	53%	0.528	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-50.9	174.5	-174.9	177.5	68.8	-166.5	-1.5	112.3	G128 I129 M236	G128-R131 CarbonylContact O-C 3.41Å; G128-R131 WeakPolarHBondContact O-CA 2.93Å; G128-R131 WeakPolarHBondContact O-CB 3.36Å; G128-R131 PolarHBondContact O-N 2.76Å; I129-R131 PolarHBondContact O-N 3.1Å; R131-M236 HydrophobicContact CB-CE 3.95Å; R131-M236 HydrophobicContact CB-SD 3.82Å
132	K	97.5	Very high	96	Very high	114 Å²	114	56.7 Å²	56.7	50%	0.496	28%	0.28	S	S	.	.	S	Bend	trans	-69.6	130.5	-174.2	-169.9	175.4	-177.4	174.7	0	110.2	M126 G128	M126-K132 HydrophobicContact CE-CD 3.82Å; G128-K132 WeakPolarHBondContact O-CB 3.4Å; G128-K132 PolarHBondContact O-N 3.35Å
133	P	96.9	Very high	96.1	Very high	93 Å²	93	54.3 Å²	54.3	60%	0.604	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-67.1	153.5	178.9	28	-34.9	0	0	0	111.5
134	P	97.4	Very high	95.9	Very high	14 Å²	14	56 Å²	56	9%	0.091	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-79.7	166.5	175.6	37.3	-35.5	0	0	0	110.1	Q136 F139 C160 V161 S164	P134-Q136 PolarHBondContact O-N 3.36Å; P134-F139 HydrophobicContact CB-CB 4.08Å; P134-F139 HydrophobicContact CG-CB 3.76Å; P134-F139 HydrophobicContact CG-CD1 4.12Å; P134-F139 HydrophobicContact CG-CD2 4.46Å; P134-F139 HydrophobicContact CG-CG 3.87Å; P134-C160 HydrophobicContact CB-CB 4.44Å; P134-V161 HydrophobicContact CB-CB 4.45Å; P134-V161 HydrophobicContact CB-CG2 3.91Å; P134-S164 VanDerWaalsContact CD-OG 3.22Å; P134-S164 WeakPolarHBondContact CD-OG 3.49Å; P134-S164 VanDerWaalsContact CG-OG 3.31Å; P134-S164 WeakPolarHBondContact CG-OG 3.22Å
135	K	96.1	Very high	95.6	Very high	148 Å²	148	54.7 Å²	54.7	64%	0.643	27%	0.272	S	S	*	.			trans	-62.8	109.5	161.8	-175.8	176.3	-179.1	178.4	0	108.4	S137 T138 F139	K135-S137 VanDerWaalsContact C-N 3.32Å; K135-S137 WeakPolarHBondContact CE-OG 3.14Å; K135-S137 PolarHBondContact O-N 3.35Å; K135-T138 PolarHBondContact O-N 2.88Å; K135-T138 VanDerWaalsContact O-N 3.08Å; K135-F139 PolarHBondContact O-N 3.1Å
136	Q	96.7	Very high	95.3	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	25%	0.25	S	S	.	.	H	α-helix	trans	-59.6	-39.4	-168	-70.3	-62.8	-11.4	0	0	113.4	P134 T138 F139 Q140	P134-Q136 PolarHBondContact O-N 3.36Å; Q136-T138 VanDerWaalsContact C-N 3.32Å; Q136-T138 PolarHBondContact O-N 2.99Å; Q136-F139 PolarHBondContact O-N 3.16Å; Q136-Q140 WeakPolarHBondContact O-CG 3.48Å; Q136-Q140 PolarHBondContact O-N 3.38Å
137	S	95	Very high	94.8	Very high	73 Å²	73	48.9 Å²	48.9	51%	0.51	25%	0.248	S	C	.	.	H	α-helix	trans	-58.7	-44.1	176.8	63.4	0	0	0	0	112.3	K135 E141	K135-S137 VanDerWaalsContact C-N 3.32Å; K135-S137 WeakPolarHBondContact CE-OG 3.14Å; K135-S137 PolarHBondContact O-N 3.35Å; S137-E141 WeakPolarHBondContact O-CB 3.35Å; S137-E141 PolarHBondContact O-N 3.22Å
138	T	94.8	Very high	94	Very high	24 Å²	24	48.9 Å²	48.9	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-69.3	-41.7	178.4	-57	0	0	0	0	110.6	K135 Q136 Q140 E141 I142 F157 V161	K135-T138 PolarHBondContact O-N 2.88Å; K135-T138 VanDerWaalsContact O-N 3.08Å; Q136-T138 VanDerWaalsContact C-N 3.32Å; Q136-T138 PolarHBondContact O-N 2.99Å; T138-Q140 PolarHBondContact O-N 2.91Å; T138-E141 WeakPolarHBondContact O-CB 3.37Å; T138-E141 PolarHBondContact O-N 3.26Å; T138-I142 HydrophobicContact CG2-CG1 4.41Å; T138-I142 VanDerWaalsContact O-CG1 3.28Å; T138-I142 WeakPolarHBondContact O-CG1 3.34Å; T138-I142 PolarHBondContact O-N 3.46Å; T138-F157 HydrophobicContact CG2-CD1 3.56Å; T138-F157 HydrophobicContact CG2-CE1 4.09Å; T138-F157 HydrophobicContact CG2-CG 4.4Å; T138-V161 HydrophobicContact CG2-CG1 4.36Å; T138-V161 HydrophobicContact CG2-CG2 4Å
139	F	96.3	Very high	93.1	Very high	15 Å²	15	49.5 Å²	49.5	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-44.7	176.5	177.4	-125	0	0	0	112.3	P134 K135 Q136 E141 I142 K143 V165 E168	P134-F139 HydrophobicContact CB-CB 4.08Å; P134-F139 HydrophobicContact CG-CB 3.76Å; P134-F139 HydrophobicContact CG-CD1 4.12Å; P134-F139 HydrophobicContact CG-CD2 4.46Å; P134-F139 HydrophobicContact CG-CG 3.87Å; K135-F139 PolarHBondContact O-N 3.1Å; Q136-F139 PolarHBondContact O-N 3.16Å; F139-E141 PolarHBondContact O-N 3.23Å; F139-I142 PolarHBondContact O-N 3.18Å; F139-K143 HydrophobicContact CD1-CD 4.35Å; F139-K143 HydrophobicContact CD2-CG 4.35Å; F139-K143 HydrophobicContact CE1-CD 3.81Å; F139-K143 HydrophobicContact CE2-CD 4.02Å; F139-K143 HydrophobicContact CE2-CG 3.97Å; F139-K143 HydrophobicContact CZ-CD 3.64Å; F139-K143 HydrophobicContact CZ-CG 4.12Å; F139-K143 WeakPolarHBondContact O-CG 3.2Å; F139-K143 PolarHBondContact O-N 2.87Å; F139-V165 HydrophobicContact CD2-CG2 4.01Å; F139-V165 HydrophobicContact CE2-CG2 3.91Å; F139-E168 HydrophobicContact CE2-CB 4.39Å; F139-E168 HydrophobicContact CZ-CB 4.01Å; F139-E168 HydrophobicContact CZ-CG 4.34Å
140	Q	95.8	Very high	92.3	Very high	91 Å²	91	51.1 Å²	51.1	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-35.3	176.1	-63.8	-53.9	-29.8	0	0	113	Q136 T138 K143 T144	Q136-Q140 WeakPolarHBondContact O-CG 3.48Å; Q136-Q140 PolarHBondContact O-N 3.38Å; T138-Q140 PolarHBondContact O-N 2.91Å; Q140-K143 PolarHBondContact O-N 2.89Å; Q140-T144 PolarHBondContact O-N 2.89Å; Q140-T144 VanDerWaalsContact O-N 3.08Å; Q140-T144 PolarHBondContact O-OG1 2.83Å
141	E	92.4	Very high	91.3	Very high	32 Å²	32	53.4 Å²	53.4	15%	0.15	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-53.1	172.9	-164.5	179.4	-173.3	0	0	110.6	W52 R53 S137 T138 F139 K143 T144 M145	W52-E141 HydrophobicContact CE3-CG 4.4Å; W52-E141 HydrophobicContact CH2-CB 4.43Å; W52-E141 HydrophobicContact CH2-CG 3.43Å; W52-E141 VanDerWaalsContact CH2-CG 3.43Å; W52-E141 HydrophobicContact CZ3-CG 3.32Å; W52-E141 WeakPolarHBondContact CZ3-OE1 3.36Å; R53-E141 IonicContact CZ-OE1 3.92Å; R53-E141 VanDerWaalsContact CZ-OE1 3.27Å; R53-E141 IonicContact NE-OE1 3.83Å; R53-E141 PolarHBondContact NE-OE1 3.23Å; R53-E141 IonicContact NH2-OE1 3.99Å; R53-E141 PolarHBondContact NH2-OE1 2.89Å; R53-E141 IonicContact NH2-OE2 3.57Å; R53-E141 PolarHBondContact NH2-OE2 2.86Å; S137-E141 WeakPolarHBondContact O-CB 3.35Å; S137-E141 PolarHBondContact O-N 3.22Å; T138-E141 WeakPolarHBondContact O-CB 3.37Å; T138-E141 PolarHBondContact O-N 3.26Å; F139-E141 PolarHBondContact O-N 3.23Å; E141-K143 PolarHBondContact O-N 3.22Å; E141-T144 PolarHBondContact O-N 3.4Å; E141-T144 VanDerWaalsContact O-N 3.16Å; E141-M145 WeakPolarHBondContact O-CG 3.04Å; E141-M145 PolarHBondContact O-N 3.36Å
142	I	92.5	Very high	90.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-40	179.9	-62.3	-62.6	0	0	0	111.7	T138 F139 T144 M145 L146 V152 F154 F157 V161 V165	T138-I142 HydrophobicContact CG2-CG1 4.41Å; T138-I142 VanDerWaalsContact O-CG1 3.28Å; T138-I142 WeakPolarHBondContact O-CG1 3.34Å; T138-I142 PolarHBondContact O-N 3.46Å; F139-I142 PolarHBondContact O-N 3.18Å; I142-T144 VanDerWaalsContact C-N 3.29Å; I142-T144 PolarHBondContact O-N 2.84Å; I142-M145 HydrophobicContact CD1-SD 4.05Å; I142-M145 PolarHBondContact O-N 3.21Å; I142-L146 HydrophobicContact CG2-CD1 3.89Å; I142-L146 HydrophobicContact CG2-CG 4.23Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 3.34Å; I142-V152 HydrophobicContact CD1-CG1 3.76Å; I142-V152 HydrophobicContact CD1-CG2 4.21Å; I142-V152 HydrophobicContact CG2-CG1 4.08Å; I142-V152 HydrophobicContact CG2-CG2 4.21Å; I142-F154 HydrophobicContact CG2-CE1 4.28Å; I142-F157 HydrophobicContact CD1-CD1 4.36Å; I142-F157 HydrophobicContact CD1-CD2 3.94Å; I142-F157 HydrophobicContact CD1-CE1 3.95Å; I142-F157 HydrophobicContact CD1-CE2 3.5Å; I142-F157 VanDerWaalsContact CD1-CE2 3.5Å; I142-F157 HydrophobicContact CD1-CG 4.36Å; I142-F157 HydrophobicContact CD1-CZ 3.51Å; I142-V161 HydrophobicContact CB-CG1 4.48Å; I142-V161 HydrophobicContact CG1-CG1 4.09Å; I142-V165 HydrophobicContact CG2-CG2 3.73Å
143	K	93.7	Very high	90	Very high	42 Å²	42	42 Å²	42	18%	0.183	23%	0.228	C	C	.	.	H	α-helix	trans	-56.6	-45.7	174	-78.8	-174.9	70.2	171.3	0	111.7	F74 F139 Q140 E141 L146 S147 E168	F74-K143 HydrophobicContact CE2-CB 4.21Å; F74-K143 HydrophobicContact CE2-CG 4.06Å; F74-K143 HydrophobicContact CZ-CG 4.12Å; F139-K143 HydrophobicContact CD1-CD 4.35Å; F139-K143 HydrophobicContact CD2-CG 4.35Å; F139-K143 HydrophobicContact CE1-CD 3.81Å; F139-K143 HydrophobicContact CE2-CD 4.02Å; F139-K143 HydrophobicContact CE2-CG 3.97Å; F139-K143 HydrophobicContact CZ-CD 3.64Å; F139-K143 HydrophobicContact CZ-CG 4.12Å; F139-K143 WeakPolarHBondContact O-CG 3.2Å; F139-K143 PolarHBondContact O-N 2.87Å; Q140-K143 PolarHBondContact O-N 2.89Å; E141-K143 PolarHBondContact O-N 3.22Å; K143-L146 PolarHBondContact O-N 2.95Å; K143-S147 WeakPolarHBondContact O-CB 3.44Å; K143-S147 PolarHBondContact O-N 2.78Å; K143-S147 PolarHBondContact O-OG 3.25Å; K143-S147 VanDerWaalsContact O-OG 3.1Å; K143-E168 HydrophobicContact CD-CG 4.16Å; K143-E168 WeakPolarHBondContact CE-OE1 3.46Å; K143-E168 IonicContact NZ-OE1 2.77Å; K143-E168 PolarHBondContact NZ-OE1 2.88Å; K143-E168 IonicContact NZ-OE2 3.26Å
144	T	91	Very high	89.6	Confident	34 Å²	34	37.6 Å²	37.6	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-42.4	179.7	-54.4	0	0	0	0	111.3	W52 Q140 E141 I142 S147 T148	W52-T144 HydrophobicContact CZ2-CG2 3.72Å; Q140-T144 PolarHBondContact O-N 2.89Å; Q140-T144 VanDerWaalsContact O-N 3.08Å; Q140-T144 PolarHBondContact O-OG1 2.83Å; E141-T144 PolarHBondContact O-N 3.4Å; E141-T144 VanDerWaalsContact O-N 3.16Å; I142-T144 VanDerWaalsContact C-N 3.29Å; I142-T144 PolarHBondContact O-N 2.84Å; T144-S147 PolarHBondContact O-N 3.27Å; T144-T148 WeakPolarHBondContact O-CB 3.39Å; T144-T148 WeakPolarHBondContact O-CG2 3.47Å; T144-T148 PolarHBondContact O-N 3.49Å; T144-T148 PolarHBondContact O-OG1 3.46Å
145	M	87.7	Confident	89	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-51.6	176	-71.8	176.2	68.9	0	0	111.1	V49 W52 E141 I142 S147 T148 G149 V150 V152	V49-M145 HydrophobicContact CG2-CE 3.97Å; W52-M145 HydrophobicContact CD2-CG 3.64Å; W52-M145 HydrophobicContact CD2-SD 4.37Å; W52-M145 HydrophobicContact CE3-CG 4.01Å; W52-M145 HydrophobicContact CE3-SD 4.23Å; W52-M145 HydrophobicContact CG-CG 4.11Å; W52-M145 HydrophobicContact CH2-CG 4.27Å; W52-M145 HydrophobicContact CZ2-CG 3.91Å; W52-M145 HydrophobicContact CZ3-CG 4.33Å; E141-M145 WeakPolarHBondContact O-CG 3.04Å; E141-M145 PolarHBondContact O-N 3.36Å; I142-M145 HydrophobicContact CD1-SD 4.05Å; I142-M145 PolarHBondContact O-N 3.21Å; M145-S147 PolarHBondContact O-N 3.03Å; M145-T148 CarbonylContact O-C 3.39Å; M145-T148 PolarHBondContact O-N 3.04Å; M145-T148 PolarHBondContact O-OG1 3.22Å; M145-G149 PolarHBondContact O-N 2.84Å; M145-G149 VanDerWaalsContact O-N 3.13Å; M145-V150 HydrophobicContact CB-CB 4.05Å; M145-V150 HydrophobicContact CB-CG1 4.38Å; M145-V150 HydrophobicContact CE-CB 4.46Å; M145-V150 HydrophobicContact CE-CG1 3.6Å; M145-V150 HydrophobicContact CG-CB 4.46Å; M145-V150 HydrophobicContact CG-CG1 4.42Å; M145-V150 PolarHBondContact O-N 2.7Å; M145-V152 HydrophobicContact CB-CG2 3.87Å; M145-V152 HydrophobicContact CE-CG2 3.92Å; M145-V152 HydrophobicContact SD-CG2 4.37Å
146	L	88.8	Confident	88.7	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-42.8	179.8	-66.7	175.4	0	0	0	112.4	F73 F74 T111 I142 K143 T148 G149 V152 F154 V165	F73-L146 HydrophobicContact CB-CB 4.12Å; F73-L146 HydrophobicContact CD1-CB 4.09Å; F73-L146 HydrophobicContact CD1-CD1 4.08Å; F73-L146 HydrophobicContact CE1-CD1 4.09Å; F73-L146 HydrophobicContact CG-CB 4.22Å; F74-L146 HydrophobicContact CE2-CB 3.82Å; F74-L146 HydrophobicContact CE2-CD1 4.03Å; F74-L146 HydrophobicContact CZ-CD1 3.88Å; T111-L146 HydrophobicContact CG2-CD2 3.61Å; I142-L146 HydrophobicContact CG2-CD1 3.89Å; I142-L146 HydrophobicContact CG2-CG 4.23Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 3.34Å; K143-L146 PolarHBondContact O-N 2.95Å; L146-T148 PolarHBondContact O-N 3.35Å; L146-G149 PolarHBondContact O-N 2.88Å; L146-G149 VanDerWaalsContact O-N 3.1Å; L146-V152 HydrophobicContact CD2-CB 4.01Å; L146-V152 HydrophobicContact CD2-CG2 3.64Å; L146-V152 HydrophobicContact CG-CG2 3.94Å; L146-F154 HydrophobicContact CD1-CZ 4.33Å; L146-V165 HydrophobicContact CD1-CG1 3.64Å; L146-V165 HydrophobicContact CD1-CG2 4.49Å
147	S	87.6	Confident	88.5	Confident	19 Å²	19	34.5 Å²	34.5	13%	0.133	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-31.4	177	-69.1	0	0	0	0	113.1	G71 K72 K143 T144 M145	G71-S147 WeakPolarHBondContact CA-O 3.34Å; K72-S147 PolarHBondContact N-O 3.27Å; K143-S147 WeakPolarHBondContact O-CB 3.44Å; K143-S147 PolarHBondContact O-N 2.78Å; K143-S147 PolarHBondContact O-OG 3.25Å; K143-S147 VanDerWaalsContact O-OG 3.1Å; T144-S147 PolarHBondContact O-N 3.27Å; M145-S147 PolarHBondContact O-N 3.03Å
148	T	81.8	Confident	88.5	Confident	73 Å²	73	33.6 Å²	33.6	45%	0.448	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0	178.4	54.1	0	0	0	0	113.4	T144 M145 L146	T144-T148 WeakPolarHBondContact O-CB 3.39Å; T144-T148 WeakPolarHBondContact O-CG2 3.47Å; T144-T148 PolarHBondContact O-N 3.49Å; T144-T148 PolarHBondContact O-OG1 3.46Å; M145-T148 CarbonylContact O-C 3.39Å; M145-T148 PolarHBondContact O-N 3.04Å; M145-T148 PolarHBondContact O-OG1 3.22Å; L146-T148 PolarHBondContact O-N 3.35Å
149	G	79	Confident	88.6	Confident	16 Å²	16	33.4 Å²	33.4	17%	0.165	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	18.3	-179.8	0	0	0	0	0	114.4	M145 L146	M145-G149 PolarHBondContact O-N 2.84Å; M145-G149 VanDerWaalsContact O-N 3.13Å; L146-G149 PolarHBondContact O-N 2.88Å; L146-G149 VanDerWaalsContact O-N 3.1Å
150	V	81.2	Confident	88.7	Confident	34 Å²	34	32.9 Å²	32.9	21%	0.206	17%	0.173	C	C	.	.			trans	-78.1	131	172.9	178.7	0	0	0	0	109.2	W52 M145	W52-V150 HydrophobicContact CB-CG1 4.35Å; W52-V150 HydrophobicContact CG-CG1 4.49Å; W52-V150 HydrophobicContact CG-CG2 4.35Å; M145-V150 HydrophobicContact CB-CB 4.05Å; M145-V150 HydrophobicContact CB-CG1 4.38Å; M145-V150 HydrophobicContact CE-CB 4.46Å; M145-V150 HydrophobicContact CE-CG1 3.6Å; M145-V150 HydrophobicContact CG-CB 4.46Å; M145-V150 HydrophobicContact CG-CG1 4.42Å; M145-V150 PolarHBondContact O-N 2.7Å
151	E	77.6	Confident	88.8	Confident	51 Å²	51	28.6 Å²	28.6	24%	0.238	15%	0.153	C	C	.	.			trans	-63.9	136.5	177.8	-168.8	178.8	-161.8	0	0	111	R114 F153	R114-E151 IonicContact CZ-OE1 2.79Å; R114-E151 IonicContact NE-OE1 3.83Å; R114-E151 PolarHBondContact NE-OE1 2.82Å; R114-E151 IonicContact NH2-OE1 3.75Å; R114-E151 PolarHBondContact NH2-OE1 3.25Å; E151-F153 HydrophobicContact CB-CE2 4.29Å; E151-F153 HydrophobicContact CG-CD2 4.12Å; E151-F153 HydrophobicContact CG-CE2 3.76Å; E151-F153 WeakPolarHBondContact OE2-CE2 3.36Å
152	V	83.3	Confident	89	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.146	C	C	.	.			trans	-116.9	132.3	178.7	173	0	0	0	0	109.5	R114 I142 M145 L146 F154 F157	R114-V152 VanDerWaalsContact CD-O 3.32Å; R114-V152 WeakPolarHBondContact CD-O 3.27Å; I142-V152 HydrophobicContact CD1-CG1 3.76Å; I142-V152 HydrophobicContact CD1-CG2 4.21Å; I142-V152 HydrophobicContact CG2-CG1 4.08Å; I142-V152 HydrophobicContact CG2-CG2 4.21Å; M145-V152 HydrophobicContact CB-CG2 3.87Å; M145-V152 HydrophobicContact CE-CG2 3.92Å; M145-V152 HydrophobicContact SD-CG2 4.37Å; L146-V152 HydrophobicContact CD2-CB 4.01Å; L146-V152 HydrophobicContact CD2-CG2 3.64Å; L146-V152 HydrophobicContact CG-CG2 3.94Å; V152-F154 HydrophobicContact CB-CE2 4.24Å; V152-F154 HydrophobicContact CB-CZ 4.26Å; V152-F154 HydrophobicContact CG1-CD1 4.01Å; V152-F154 HydrophobicContact CG1-CD2 4.13Å; V152-F154 HydrophobicContact CG1-CE1 3.87Å; V152-F154 HydrophobicContact CG1-CE2 4Å; V152-F154 HydrophobicContact CG1-CG 4.15Å; V152-F154 HydrophobicContact CG1-CZ 3.87Å; V152-F157 HydrophobicContact CG1-CD2 4.46Å; V152-F157 HydrophobicContact CG1-CE2 4.13Å
153	F	84.9	Confident	89.3	Confident	14 Å²	14	27.2 Å²	27.2	6%	0.061	15%	0.147	C	C	.	.			trans	-107.5	97.5	176.5	-70	-121.9	0	0	0	107.3	T45 R114 E151 E155 Y156 F157	T45-F153 HydrophobicContact CG2-CB 3.3Å; T45-F153 HydrophobicContact CG2-CD1 3.09Å; T45-F153 HydrophobicContact CG2-CD2 3.02Å; T45-F153 HydrophobicContact CG2-CE1 3.45Å; T45-F153 VanDerWaalsContact CG2-CE1 3.45Å; T45-F153 HydrophobicContact CG2-CE2 3.36Å; T45-F153 HydrophobicContact CG2-CG 2.86Å; T45-F153 HydrophobicContact CG2-CZ 3.58Å; R114-F153 VanDerWaalsContact CZ-CD1 3.48Å; R114-F153 VanDerWaalsContact CZ-CE1 3.43Å; R114-F153 VanDerWaalsContact NH2-CZ 3.3Å; E151-F153 HydrophobicContact CB-CE2 4.29Å; E151-F153 HydrophobicContact CG-CD2 4.12Å; E151-F153 HydrophobicContact CG-CE2 3.76Å; E151-F153 WeakPolarHBondContact OE2-CE2 3.36Å; F153-E155 WeakPolarHBondContact CA-OE2 3.45Å; F153-E155 WeakPolarHBondContact CB-OE2 3.27Å; F153-E155 WeakPolarHBondContact CD1-OE1 3.49Å; F153-E155 PolarHBondContact O-N 3.19Å; F153-Y156 HydrophobicContact CB-CD2 3.73Å; F153-Y156 HydrophobicContact CB-CE2 3.88Å; F153-Y156 PolarHBondContact O-N 2.9Å; F153-F157 VanDerWaalsContact O-CD2 3.32Å; F153-F157 WeakPolarHBondContact O-CD2 3.19Å; F153-F157 VanDerWaalsContact O-CE2 3.27Å; F153-F157 WeakPolarHBondContact O-CE2 3.28Å
154	F	88	Confident	89.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64.5	-23.6	-169.4	-71.7	-82.1	0	0	0	113.1	T111 R114 L115 H118 I142 L146 V152 Y156 F157 S162 V165	T111-F154 HydrophobicContact CG2-CE2 3.93Å; T111-F154 HydrophobicContact CG2-CZ 4.18Å; R114-F154 HydrophobicContact CB-CD2 3.86Å; L115-F154 HydrophobicContact CB-CD2 4.03Å; L115-F154 HydrophobicContact CB-CE2 3.78Å; L115-F154 HydrophobicContact CB-CZ 4.13Å; L115-F154 HydrophobicContact CD1-CD1 3.91Å; L115-F154 HydrophobicContact CD1-CD2 4.47Å; L115-F154 HydrophobicContact CD1-CE1 3.72Å; L115-F154 HydrophobicContact CD1-CE2 4.3Å; L115-F154 HydrophobicContact CD1-CG 4.28Å; L115-F154 HydrophobicContact CD1-CZ 3.92Å; L115-F154 HydrophobicContact CG-CZ 4.48Å; H118-F154 HydrophobicContact CB-CB 3.8Å; H118-F154 PolarHBondContact CE1-O 2.76Å; H118-F154 PolarHBondContact ND1-O 3.16Å; I142-F154 HydrophobicContact CG2-CE1 4.28Å; L146-F154 HydrophobicContact CD1-CZ 4.33Å; V152-F154 HydrophobicContact CB-CE2 4.24Å; V152-F154 HydrophobicContact CB-CZ 4.26Å; V152-F154 HydrophobicContact CG1-CD1 4.01Å; V152-F154 HydrophobicContact CG1-CD2 4.13Å; V152-F154 HydrophobicContact CG1-CE1 3.87Å; V152-F154 HydrophobicContact CG1-CE2 4Å; V152-F154 HydrophobicContact CG1-CG 4.15Å; V152-F154 HydrophobicContact CG1-CZ 3.87Å; F154-Y156 PolarHBondContact O-N 3.14Å; F154-Y156 VanDerWaalsContact O-N 3.12Å; F154-F157 PolarHBondContact O-N 3.22Å; F154-S162 WeakPolarHBondContact CD1-OG 3.39Å; F154-V165 HydrophobicContact CE1-CB 4.32Å; F154-V165 HydrophobicContact CE1-CG1 4.08Å; F154-V165 HydrophobicContact CE1-CG2 4.32Å; F154-V165 HydrophobicContact CZ-CG1 4.16Å
155	E	85.9	Confident	89.7	Confident	68 Å²	68	24.1 Å²	24.1	32%	0.318	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-60.5	-19	179.3	63.2	-95.1	-142.1	0	0	114.7	R114 F153 F157	R114-E155 IonicContact NH1-OE1 3.64Å; F153-E155 WeakPolarHBondContact CA-OE2 3.45Å; F153-E155 WeakPolarHBondContact CB-OE2 3.27Å; F153-E155 WeakPolarHBondContact CD1-OE1 3.49Å; F153-E155 PolarHBondContact O-N 3.19Å; E155-F157 VanDerWaalsContact C-N 3.35Å
156	Y	88.3	Confident	90.1	Very high	97 Å²	97	24.1 Å²	24.1	38%	0.38	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-89.9	0.2	176.5	-62.1	-78.9	0	0	0	113.6	E42 T45 F153 F154	E42-Y156 WeakPolarHBondContact CA-OH 3.29Å; E42-Y156 HydrophobicContact CG-CE1 3.94Å; E42-Y156 WeakPolarHBondContact CG-OH 3.25Å; T45-Y156 HydrophobicContact CG2-CD2 4.19Å; T45-Y156 HydrophobicContact CG2-CE2 3.7Å; F153-Y156 HydrophobicContact CB-CD2 3.73Å; F153-Y156 HydrophobicContact CB-CE2 3.88Å; F153-Y156 PolarHBondContact O-N 2.9Å; F154-Y156 PolarHBondContact O-N 3.14Å; F154-Y156 VanDerWaalsContact O-N 3.12Å
157	F	92.4	Very high	90.5	Very high	37 Å²	37	26 Å²	26	16%	0.162	14%	0.14	C	C	.	.	S	Bend	trans	-123.1	159.7	-175.7	-54	-73.3	0	0	0	110.8	H118 T138 I142 V152 F153 F154 E155 V161	H118-F157 PolarHBondContact CE1-O 3.45Å; H118-F157 PolarHBondContact NE2-O 3.41Å; T138-F157 HydrophobicContact CG2-CD1 3.56Å; T138-F157 HydrophobicContact CG2-CE1 4.09Å; T138-F157 HydrophobicContact CG2-CG 4.4Å; I142-F157 HydrophobicContact CD1-CD1 4.36Å; I142-F157 HydrophobicContact CD1-CD2 3.94Å; I142-F157 HydrophobicContact CD1-CE1 3.95Å; I142-F157 HydrophobicContact CD1-CE2 3.5Å; I142-F157 VanDerWaalsContact CD1-CE2 3.5Å; I142-F157 HydrophobicContact CD1-CG 4.36Å; I142-F157 HydrophobicContact CD1-CZ 3.51Å; V152-F157 HydrophobicContact CG1-CD2 4.46Å; V152-F157 HydrophobicContact CG1-CE2 4.13Å; F153-F157 VanDerWaalsContact O-CD2 3.32Å; F153-F157 WeakPolarHBondContact O-CD2 3.19Å; F153-F157 VanDerWaalsContact O-CE2 3.27Å; F153-F157 WeakPolarHBondContact O-CE2 3.28Å; F154-F157 PolarHBondContact O-N 3.22Å; E155-F157 VanDerWaalsContact C-N 3.35Å; F157-V161 HydrophobicContact CB-CB 4.36Å; F157-V161 HydrophobicContact CB-CG1 4.5Å
158	S	95.5	Very high	90.8	Very high	54 Å²	54	26.4 Å²	26.4	38%	0.378	14%	0.14	S	C	.	.			trans	-59.1	142.7	175.3	172.2	0	0	0	0	111.3	C160 V161 S162	S158-C160 PolarHBondContact O-N 3.44Å; S158-C160 VanDerWaalsContact O-N 3.11Å; S158-C160 PolarHBondContact OG-N 3.14Å; S158-V161 WeakPolarHBondContact O-CB 3.25Å; S158-V161 PolarHBondContact O-N 3.4Å; S158-S162 PolarHBondContact O-N 2.66Å
159	P	97.4	Very high	91.4	Very high	20 Å²	20	22.9 Å²	22.9	13%	0.13	12%	0.119	C	C	.	.	H	α-helix	trans	-55	-28.4	170.7	-27	35.1	0	0	0	113.6	E122 M126 I129 V161 S162 A163	E122-P159 HydrophobicContact CB-CG 3.8Å; M126-P159 HydrophobicContact CB-CB 4.14Å; M126-P159 HydrophobicContact CB-CG 4.41Å; M126-P159 HydrophobicContact CG-CB 4.32Å; I129-P159 HydrophobicContact CD1-CB 3.92Å; P159-V161 VanDerWaalsContact C-N 3.3Å; P159-V161 PolarHBondContact O-N 2.9Å; P159-S162 WeakPolarHBondContact O-CB 3.4Å; P159-S162 PolarHBondContact O-N 2.86Å; P159-A163 PolarHBondContact O-N 3.02Å
160	C	98	Very high	92	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.027	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-38.1	173	-66.9	0	0	0	0	112.6	P134 S158 S162 A163 S164	P134-C160 HydrophobicContact CB-CB 4.44Å; S158-C160 PolarHBondContact O-N 3.44Å; S158-C160 VanDerWaalsContact O-N 3.11Å; S158-C160 PolarHBondContact OG-N 3.14Å; C160-S162 VanDerWaalsContact C-N 3.35Å; C160-A163 PolarHBondContact O-N 3.45Å; C160-S164 WeakPolarHBondContact O-CB 3.18Å; C160-S164 PolarHBondContact O-N 2.92Å; C160-S164 PolarHBondContact O-OG 3.4Å
161	V	97.7	Very high	92.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-44.5	176.1	176.1	0	0	0	0	109.7	P134 T138 I142 F157 S158 P159 S164 V165	P134-V161 HydrophobicContact CB-CB 4.45Å; P134-V161 HydrophobicContact CB-CG2 3.91Å; T138-V161 HydrophobicContact CG2-CG1 4.36Å; T138-V161 HydrophobicContact CG2-CG2 4Å; I142-V161 HydrophobicContact CB-CG1 4.48Å; I142-V161 HydrophobicContact CG1-CG1 4.09Å; F157-V161 HydrophobicContact CB-CB 4.36Å; F157-V161 HydrophobicContact CB-CG1 4.5Å; S158-V161 WeakPolarHBondContact O-CB 3.25Å; S158-V161 PolarHBondContact O-N 3.4Å; P159-V161 VanDerWaalsContact C-N 3.3Å; P159-V161 PolarHBondContact O-N 2.9Å; V161-S164 PolarHBondContact O-N 2.97Å; V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 VanDerWaalsContact O-CG2 3.31Å; V161-V165 WeakPolarHBondContact O-CG2 3.47Å; V161-V165 PolarHBondContact O-N 3.25Å
162	S	96.9	Very high	93.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-47.4	177.3	-62.1	0	0	0	0	111.7	L115 H118 F154 S158 P159 C160 S164 V165 L166	L115-S162 WeakPolarHBondContact CD1-O 3.43Å; H118-S162 PolarHBondContact CE1-OG 3.43Å; H118-S162 PolarHBondContact ND1-OG 3.15Å; F154-S162 WeakPolarHBondContact CD1-OG 3.39Å; S158-S162 PolarHBondContact O-N 2.66Å; P159-S162 WeakPolarHBondContact O-CB 3.4Å; P159-S162 PolarHBondContact O-N 2.86Å; C160-S162 VanDerWaalsContact C-N 3.35Å; S162-S164 VanDerWaalsContact C-N 3.32Å; S162-S164 PolarHBondContact O-N 3.31Å; S162-V165 PolarHBondContact O-N 3.08Å; S162-L166 PolarHBondContact O-N 2.98Å
163	A	98.1	Very high	93.5	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-42.1	176.8	0	0	0	0	0	111.8	L119 I129 F130 P159 C160 L166 K167	L119-A163 HydrophobicContact CD2-CB 4.16Å; I129-A163 HydrophobicContact CD1-CB 3.67Å; I129-A163 HydrophobicContact CG1-CB 4.26Å; F130-A163 HydrophobicContact CD1-CB 3.66Å; F130-A163 HydrophobicContact CE1-CB 3.77Å; F130-A163 HydrophobicContact CG-CB 4.13Å; F130-A163 HydrophobicContact CZ-CB 4.33Å; P159-A163 PolarHBondContact O-N 3.02Å; C160-A163 PolarHBondContact O-N 3.45Å; A163-L166 PolarHBondContact O-N 3.06Å; A163-K167 WeakPolarHBondContact O-CG 3.36Å; A163-K167 PolarHBondContact O-N 3.5Å
164	S	97.8	Very high	93.6	Very high	12 Å²	12	27 Å²	27	8%	0.084	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-36	175.5	-72.7	0	0	0	0	113.4	P134 C160 V161 S162 K167 E168	P134-S164 VanDerWaalsContact CD-OG 3.22Å; P134-S164 WeakPolarHBondContact CD-OG 3.49Å; P134-S164 VanDerWaalsContact CG-OG 3.31Å; P134-S164 WeakPolarHBondContact CG-OG 3.22Å; C160-S164 WeakPolarHBondContact O-CB 3.18Å; C160-S164 PolarHBondContact O-N 2.92Å; C160-S164 PolarHBondContact O-OG 3.4Å; V161-S164 PolarHBondContact O-N 2.97Å; S162-S164 VanDerWaalsContact C-N 3.32Å; S162-S164 PolarHBondContact O-N 3.31Å; S164-K167 PolarHBondContact O-N 3.22Å; S164-E168 WeakPolarHBondContact O-CB 3.47Å; S164-E168 PolarHBondContact O-N 3.26Å
165	V	96.5	Very high	93.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-43.8	172.9	166.4	0	0	0	0	110.8	F74 L115 F139 I142 L146 F154 V161 S162 E168 F169	F74-V165 HydrophobicContact CZ-CG1 4.24Å; L115-V165 HydrophobicContact CD1-CG1 4.47Å; L115-V165 HydrophobicContact CD2-CG1 4.27Å; F139-V165 HydrophobicContact CD2-CG2 4.01Å; F139-V165 HydrophobicContact CE2-CG2 3.91Å; I142-V165 HydrophobicContact CG2-CG2 3.73Å; L146-V165 HydrophobicContact CD1-CG1 3.64Å; L146-V165 HydrophobicContact CD1-CG2 4.49Å; F154-V165 HydrophobicContact CE1-CB 4.32Å; F154-V165 HydrophobicContact CE1-CG1 4.08Å; F154-V165 HydrophobicContact CE1-CG2 4.32Å; F154-V165 HydrophobicContact CZ-CG1 4.16Å; V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 VanDerWaalsContact O-CG2 3.31Å; V161-V165 WeakPolarHBondContact O-CG2 3.47Å; V161-V165 PolarHBondContact O-N 3.25Å; S162-V165 PolarHBondContact O-N 3.08Å; V165-E168 WeakPolarHBondContact O-CB 3.31Å; V165-E168 PolarHBondContact O-N 3.46Å; V165-F169 WeakPolarHBondContact O-CB 3.32Å; V165-F169 PolarHBondContact O-N 3.44Å
166	L	96	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-44	176.7	-175.9	56	0	0	0	111.9	L115 F116 L119 F130 S162 A163 F169 L170 F216 L220 L223	L115-L166 HydrophobicContact CD2-CB 4.13Å; L115-L166 HydrophobicContact CD2-CD1 4.16Å; F116-L166 HydrophobicContact CE1-CD2 4.37Å; F116-L166 HydrophobicContact CZ-CD1 4.3Å; L119-L166 HydrophobicContact CD1-CB 4.46Å; L119-L166 HydrophobicContact CD1-CD2 3.77Å; F130-L166 HydrophobicContact CE1-CD2 4.1Å; F130-L166 HydrophobicContact CZ-CD2 4.13Å; S162-L166 PolarHBondContact O-N 2.98Å; A163-L166 PolarHBondContact O-N 3.06Å; L166-F169 WeakPolarHBondContact O-CB 3.24Å; L166-F169 PolarHBondContact O-N 3.04Å; L166-L170 WeakPolarHBondContact O-CG 3.44Å; L166-L170 PolarHBondContact O-N 3.22Å; L166-F216 HydrophobicContact CD1-CZ 3.96Å; L166-L220 HydrophobicContact CD2-CD1 3.8Å; L166-L220 HydrophobicContact CG-CD1 4.41Å; L166-L223 HydrophobicContact CD2-CD2 3.92Å
167	K	96.1	Very high	93.1	Very high	43 Å²	43	23.7 Å²	23.7	19%	0.187	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-42.8	174.3	-72	-165.6	-58.3	179.4	0	112.1	F130 A163 S164 F169 L170 R171 L245	F130-K167 HydrophobicContact CD1-CD 4.22Å; F130-K167 HydrophobicContact CD1-CG 4.07Å; F130-K167 PolarHBondContact O-NZ 3.23Å; A163-K167 WeakPolarHBondContact O-CG 3.36Å; A163-K167 PolarHBondContact O-N 3.5Å; S164-K167 PolarHBondContact O-N 3.22Å; K167-F169 VanDerWaalsContact C-N 3.34Å; K167-L170 PolarHBondContact O-N 3.35Å; K167-R171 VanDerWaalsContact O-CG 3.3Å; K167-R171 WeakPolarHBondContact O-CG 3.33Å; K167-R171 PolarHBondContact O-N 3.17Å; K167-R171 VanDerWaalsContact O-N 3.09Å; K167-L245 HydrophobicContact CG-CD1 4.05Å
168	E	95.1	Very high	92.6	Very high	27 Å²	27	22 Å²	22	13%	0.126	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-46	175.2	-173.4	69.5	-167	0	0	111.5	F74 F139 K143 S164 V165 L170 R171 S172	F74-E168 HydrophobicContact CD1-CB 4.3Å; F74-E168 HydrophobicContact CD1-CG 3.69Å; F74-E168 HydrophobicContact CE1-CB 3.72Å; F74-E168 HydrophobicContact CE1-CG 3.47Å; F74-E168 VanDerWaalsContact CE1-CG 3.47Å; F74-E168 HydrophobicContact CZ-CB 4.43Å; F74-E168 HydrophobicContact CZ-CG 4.12Å; F139-E168 HydrophobicContact CE2-CB 4.39Å; F139-E168 HydrophobicContact CZ-CB 4.01Å; F139-E168 HydrophobicContact CZ-CG 4.34Å; K143-E168 HydrophobicContact CD-CG 4.16Å; K143-E168 WeakPolarHBondContact CE-OE1 3.46Å; K143-E168 IonicContact NZ-OE1 2.77Å; K143-E168 PolarHBondContact NZ-OE1 2.88Å; K143-E168 IonicContact NZ-OE2 3.26Å; S164-E168 WeakPolarHBondContact O-CB 3.47Å; S164-E168 PolarHBondContact O-N 3.26Å; V165-E168 WeakPolarHBondContact O-CB 3.31Å; V165-E168 PolarHBondContact O-N 3.46Å; E168-L170 PolarHBondContact O-N 3.41Å; E168-R171 PolarHBondContact O-N 2.82Å; E168-R171 IonicContact OE1-NH2 3.03Å; E168-R171 IonicContact OE2-CZ 2.9Å; E168-R171 IonicContact OE2-NE 3.34Å; E168-R171 IonicContact OE2-NH2 2.83Å; E168-R171 PolarHBondContact OE2-NH2 2.76Å; E168-S172 VanDerWaalsContact O-CB 3.3Å; E168-S172 WeakPolarHBondContact O-CB 3.42Å; E168-S172 PolarHBondContact O-N 3.47Å; E168-S172 PolarHBondContact O-OG 2.88Å
169	F	93.2	Very high	91.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-55.8	-54	178.5	172.6	-104.3	0	0	0	110.8	F73 F74 L78 M81 F112 V165 L166 K167 R171 S172 L173 F216	F73-F169 HydrophobicContact CD1-CD2 4.27Å; F73-F169 HydrophobicContact CE1-CB 4.16Å; F73-F169 AromaticContact CE1-CD2 3.78Å; F73-F169 HydrophobicContact CE1-CD2 3.78Å; F73-F169 HydrophobicContact CE1-CG 4.2Å; F73-F169 HydrophobicContact CZ-CD2 4.02Å; F73-F169 HydrophobicContact CZ-CG 4.39Å; F74-F169 HydrophobicContact CD1-CB 4.39Å; F74-F169 HydrophobicContact CE1-CB 4.14Å; L78-F169 HydrophobicContact CD2-CE1 4.13Å; L78-F169 HydrophobicContact CD2-CZ 3.7Å; L78-F169 HydrophobicContact CG-CZ 4.37Å; M81-F169 HydrophobicContact CE-CE2 3.62Å; M81-F169 HydrophobicContact CE-CZ 4.36Å; M81-F169 HydrophobicContact SD-CE2 3.87Å; M81-F169 HydrophobicContact SD-CZ 4.05Å; F112-F169 AromaticContact CE1-CD1 3.84Å; F112-F169 HydrophobicContact CE1-CD1 3.84Å; F112-F169 HydrophobicContact CE1-CD2 4.34Å; F112-F169 AromaticContact CE1-CE1 3.69Å; F112-F169 HydrophobicContact CE1-CE1 3.69Å; F112-F169 HydrophobicContact CE1-CE2 4.23Å; F112-F169 HydrophobicContact CE1-CG 4.16Å; F112-F169 AromaticContact CE1-CZ 3.89Å; F112-F169 HydrophobicContact CE1-CZ 3.89Å; F112-F169 HydrophobicContact CE2-CZ 4.42Å; F112-F169 HydrophobicContact CZ-CD1 4.16Å; F112-F169 HydrophobicContact CZ-CD2 4.08Å; F112-F169 AromaticContact CZ-CE1 3.67Å; F112-F169 HydrophobicContact CZ-CE1 3.67Å; F112-F169 AromaticContact CZ-CE2 3.61Å; F112-F169 HydrophobicContact CZ-CE2 3.61Å; F112-F169 HydrophobicContact CZ-CG 4.35Å; F112-F169 AromaticContact CZ-CZ 3.36Å; F112-F169 HydrophobicContact CZ-CZ 3.36Å; V165-F169 WeakPolarHBondContact O-CB 3.32Å; V165-F169 PolarHBondContact O-N 3.44Å; L166-F169 WeakPolarHBondContact O-CB 3.24Å; L166-F169 PolarHBondContact O-N 3.04Å; K167-F169 VanDerWaalsContact C-N 3.34Å; F169-R171 VanDerWaalsContact C-N 3.32Å; F169-R171 PolarHBondContact O-N 3.08Å; F169-S172 PolarHBondContact O-N 2.98Å; F169-S172 PolarHBondContact O-OG 3.48Å; F169-L173 HydrophobicContact CE1-CD1 4.12Å; F169-L173 HydrophobicContact CE1-CD2 4.25Å; F169-L173 HydrophobicContact CE1-CG 4.31Å; F169-L173 HydrophobicContact CE2-CD2 3.84Å; F169-L173 HydrophobicContact CE2-CG 4.41Å; F169-L173 HydrophobicContact CZ-CD1 4.27Å; F169-L173 HydrophobicContact CZ-CD2 3.57Å; F169-L173 HydrophobicContact CZ-CG 4.09Å; F169-L173 PolarHBondContact O-N 3.01Å; F169-L173 VanDerWaalsContact O-N 3.16Å; F169-F216 HydrophobicContact CD1-CE2 4.18Å; F169-F216 AromaticContact CD1-CZ 3.8Å; F169-F216 HydrophobicContact CD1-CZ 3.8Å; F169-F216 HydrophobicContact CE1-CD2 4.43Å; F169-F216 HydrophobicContact CE1-CE1 4.22Å; F169-F216 AromaticContact CE1-CE2 3.67Å; F169-F216 HydrophobicContact CE1-CE2 3.67Å; F169-F216 AromaticContact CE1-CZ 3.55Å; F169-F216 HydrophobicContact CE1-CZ 3.55Å
170	L	93.1	Very high	90.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54.2	-44.3	177.3	-74.5	170.3	0	0	0	113.1	L166 K167 E168 S172 A177 F216 L220 L245 L249 Q251	L166-L170 WeakPolarHBondContact O-CG 3.44Å; L166-L170 PolarHBondContact O-N 3.22Å; K167-L170 PolarHBondContact O-N 3.35Å; E168-L170 PolarHBondContact O-N 3.41Å; L170-S172 VanDerWaalsContact C-N 3.34Å; L170-A177 HydrophobicContact CD2-CB 3.95Å; L170-F216 HydrophobicContact CD2-CE1 3.7Å; L170-F216 HydrophobicContact CD2-CZ 4.26Å; L170-L220 HydrophobicContact CD1-CD2 4.04Å; L170-L220 HydrophobicContact CD2-CD2 4.15Å; L170-L245 HydrophobicContact CD1-CD1 3.92Å; L170-L249 HydrophobicContact CD2-CD1 4.28Å; L170-Q251 PolarHBondContact O-NE2 2.94Å
171	R	92.2	Very high	89.6	Confident	101 Å²	101	27.2 Å²	27.2	38%	0.381	14%	0.135	S	C	.	.	H	α-helix	trans	-69.1	-32.5	178	-68.5	-175.9	-40.3	126.9	-1.3	113.1	K167 E168 F169	K167-R171 VanDerWaalsContact O-CG 3.3Å; K167-R171 WeakPolarHBondContact O-CG 3.33Å; K167-R171 PolarHBondContact O-N 3.17Å; K167-R171 VanDerWaalsContact O-N 3.09Å; E168-R171 PolarHBondContact O-N 2.82Å; E168-R171 IonicContact OE1-NH2 3.03Å; E168-R171 IonicContact OE2-CZ 2.9Å; E168-R171 IonicContact OE2-NE 3.34Å; E168-R171 IonicContact OE2-NH2 2.83Å; E168-R171 PolarHBondContact OE2-NH2 2.76Å; F169-R171 VanDerWaalsContact C-N 3.32Å; F169-R171 PolarHBondContact O-N 3.08Å
172	S	91.2	Very high	88.6	Confident	27 Å²	27	29.3 Å²	29.3	19%	0.189	15%	0.147	C	C	.	.	H	α-helix	trans	-77.5	-21.6	-177.1	76.2	0	0	0	0	113.2	G75 E168 F169 L170	G75-S172 VanDerWaalsContact CA-O 3.3Å; G75-S172 WeakPolarHBondContact CA-O 3.34Å; G75-S172 PolarHBondContact N-OG 3.5Å; G75-S172 VanDerWaalsContact N-OG 3.14Å; E168-S172 VanDerWaalsContact O-CB 3.3Å; E168-S172 WeakPolarHBondContact O-CB 3.42Å; E168-S172 PolarHBondContact O-N 3.47Å; E168-S172 PolarHBondContact O-OG 2.88Å; F169-S172 PolarHBondContact O-N 2.98Å; F169-S172 PolarHBondContact O-OG 3.48Å; L170-S172 VanDerWaalsContact C-N 3.34Å
173	L	88.4	Confident	87.7	Confident	2 Å²	2	31 Å²	31	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-55.1	141.9	-179.1	-71.5	171.7	0	0	0	111.1	R76 L78 F169 E175 A177 Q251 K254	R76-L173 WeakPolarHBondContact O-CD2 3.24Å; L78-L173 HydrophobicContact CD1-CD1 4.13Å; L78-L173 HydrophobicContact CG-CD1 4.31Å; L78-L173 HydrophobicContact CG-CD2 4Å; F169-L173 HydrophobicContact CE1-CD1 4.12Å; F169-L173 HydrophobicContact CE1-CD2 4.25Å; F169-L173 HydrophobicContact CE1-CG 4.31Å; F169-L173 HydrophobicContact CE2-CD2 3.84Å; F169-L173 HydrophobicContact CE2-CG 4.41Å; F169-L173 HydrophobicContact CZ-CD1 4.27Å; F169-L173 HydrophobicContact CZ-CD2 3.57Å; F169-L173 HydrophobicContact CZ-CG 4.09Å; F169-L173 PolarHBondContact O-N 3.01Å; F169-L173 VanDerWaalsContact O-N 3.16Å; L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 WeakPolarHBondContact CB-O 3.5Å; L173-E175 PolarHBondContact O-N 2.78Å; L173-A177 HydrophobicContact CD1-CB 3.87Å; L173-Q251 PolarHBondContact O-NE2 3.44Å; L173-Q251 PolarHBondContact O-OE1 3.1Å; L173-K254 PolarHBondContact O-NZ 3.03Å
174	P	87	Confident	86.8	Confident	71 Å²	71	33.2 Å²	33.2	46%	0.461	18%	0.177	S	C	.	.	S	Bend	trans	-57.5	-41.2	177.5	-28.9	38.3	0	0	0	112.6	G75 P77	G75-P174 WeakPolarHBondContact O-CD 2.9Å; G75-P174 VanDerWaalsContact O-CG 3.23Å; G75-P174 WeakPolarHBondContact O-CG 3.31Å; P77-P174 HydrophobicContact CG-CG 3.96Å
175	E	85.3	Confident	86.1	Confident	92 Å²	92	35.6 Å²	35.6	43%	0.43	19%	0.187	S	C	.	.	S	Bend	trans	-121.6	150.6	172.6	-60.7	-174.2	177.4	0	0	109.7	L173 A177 K181 Q251	L173-E175 VanDerWaalsContact C-N 3.26Å; L173-E175 WeakPolarHBondContact CB-O 3.5Å; L173-E175 PolarHBondContact O-N 2.78Å; E175-A177 PolarHBondContact O-N 3.21Å; E175-K181 WeakPolarHBondContact OE1-CE 3.42Å; E175-K181 IonicContact OE1-NZ 3.95Å; E175-Q251 PolarHBondContact O-NE2 3.29Å
176	S	86.5	Confident	85.5	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.028	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-58.8	135	176.5	160.7	0	0	0	0	110.6	I178 C179 G180 L249	S176-I178 PolarHBondContact O-N 3.38Å; S176-I178 PolarHBondContact OG-N 3.18Å; S176-C179 PolarHBondContact O-N 2.87Å; S176-C179 PolarHBondContact OG-N 2.9Å; S176-G180 WeakPolarHBondContact O-CA 3.4Å; S176-G180 PolarHBondContact O-N 3Å; S176-L249 PolarHBondContact OG-O 2.6Å
177	A	80.2	Confident	84.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-38.7	178.1	0	0	0	0	0	111.9	L78 L170 L173 E175 N213 F216 L217	L78-A177 HydrophobicContact CD1-CB 4.4Å; L170-A177 HydrophobicContact CD2-CB 3.95Å; L173-A177 HydrophobicContact CD1-CB 3.87Å; E175-A177 PolarHBondContact O-N 3.21Å; A177-N213 PolarHBondContact O-ND2 3.11Å; A177-N213 VanDerWaalsContact O-ND2 3.08Å; A177-F216 HydrophobicContact CB-CD1 4.36Å; A177-F216 HydrophobicContact CB-CE1 4.49Å; A177-L217 HydrophobicContact CB-CD2 4.21Å
178	I	81.8	Confident	84	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-35.8	-177.4	-159.4	157.8	0	0	0	113.7	S176 W186 L217 L249 F250 I274	S176-I178 PolarHBondContact O-N 3.38Å; S176-I178 PolarHBondContact OG-N 3.18Å; I178-W186 HydrophobicContact CD1-CH2 3.94Å; I178-W186 HydrophobicContact CD1-CZ2 4.47Å; I178-W186 HydrophobicContact CD1-CZ3 4.04Å; I178-W186 HydrophobicContact CG1-CD2 4.46Å; I178-W186 HydrophobicContact CG1-CE3 4.4Å; I178-W186 HydrophobicContact CG1-CH2 3.59Å; I178-W186 HydrophobicContact CG1-CZ2 3.63Å; I178-W186 HydrophobicContact CG1-CZ3 4.01Å; I178-W186 VanDerWaalsContact O-CZ2 3.22Å; I178-W186 WeakPolarHBondContact O-CZ2 3.48Å; I178-W186 PolarHBondContact O-NE1 3Å; I178-L217 HydrophobicContact CB-CD1 4.29Å; I178-L217 HydrophobicContact CB-CD2 4.03Å; I178-L217 HydrophobicContact CD1-CD2 4.41Å; I178-L217 HydrophobicContact CG1-CD1 4.14Å; I178-L217 HydrophobicContact CG1-CD2 4.31Å; I178-L249 HydrophobicContact CB-CD1 4.15Å; I178-L249 HydrophobicContact CB-CG 4.04Å; I178-L249 HydrophobicContact CD1-CD2 3.83Å; I178-L249 HydrophobicContact CD1-CG 4.27Å; I178-L249 HydrophobicContact CG2-CD1 4.37Å; I178-L249 HydrophobicContact CG2-CD2 4.36Å; I178-L249 HydrophobicContact CG2-CG 3.77Å; I178-F250 HydrophobicContact CG2-CD1 4.32Å; I178-F250 HydrophobicContact CG2-CD2 4.29Å; I178-F250 HydrophobicContact CG2-CE1 4.1Å; I178-F250 HydrophobicContact CG2-CE2 4.05Å; I178-F250 HydrophobicContact CG2-CG 4.4Å; I178-F250 HydrophobicContact CG2-CZ 3.93Å; I178-I274 HydrophobicContact CD1-CD1 3.61Å
179	C	77.5	Confident	83.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-26.6	-174.6	-65.3	0	0	0	0	113.8	S176 K181 N182 Q183 W186 F250	S176-C179 PolarHBondContact O-N 2.87Å; S176-C179 PolarHBondContact OG-N 2.9Å; C179-K181 PolarHBondContact O-N 2.74Å; C179-K181 VanDerWaalsContact O-N 3.17Å; C179-N182 WeakPolarHBondContact O-CA 3.44Å; C179-N182 PolarHBondContact O-N 3.46Å; C179-Q183 HydrophobicContact CB-CB 3.79Å; C179-Q183 HydrophobicContact CB-CG 4.24Å; C179-W186 HydrophobicContact CB-CG 4.43Å; C179-W186 VanDerWaalsContact SG-CD1 3.51Å; C179-W186 VanDerWaalsContact SG-CG 3.55Å; C179-F250 WeakPolarHBondContact SG-CD1 3.22Å; C179-F250 WeakPolarHBondContact SG-CE1 3.28Å
180	G	76.6	Confident	82	Confident	17 Å²	17	37.8 Å²	37.8	18%	0.175	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	47.1	-123.8	-161	0	0	0	0	0	109.6	S176	S176-G180 WeakPolarHBondContact O-CA 3.4Å; S176-G180 PolarHBondContact O-N 3Å
181	K	74	Confident	80.9	Confident	170 Å²	170	41.3 Å²	41.3	74%	0.739	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.6	174.4	-58.4	-178.8	-178.2	178.5	0	114.8	E175 C179 Q183	E175-K181 WeakPolarHBondContact OE1-CE 3.42Å; E175-K181 IonicContact OE1-NZ 3.95Å; C179-K181 PolarHBondContact O-N 2.74Å; C179-K181 VanDerWaalsContact O-N 3.17Å; K181-Q183 PolarHBondContact O-N 3.42Å
182	N	78	Confident	79.5	Confident	45 Å²	45	40.7 Å²	40.7	24%	0.241	23%	0.229	C	C	.	.			trans	-96.2	31.1	-169	-60.2	-32.5	0	0	0	113.4	C179 G184 E185 W186 L205	C179-N182 WeakPolarHBondContact O-CA 3.44Å; C179-N182 PolarHBondContact O-N 3.46Å; N182-G184 VanDerWaalsContact C-N 3.28Å; N182-G184 PolarHBondContact O-N 3.47Å; N182-E185 HydrophobicContact CB-CB 4.45Å; N182-E185 WeakPolarHBondContact O-CB 3.44Å; N182-E185 PolarHBondContact O-N 3.37Å; N182-W186 PolarHBondContact O-N 3.17Å; N182-L205 HydrophobicContact CB-CD2 4.47Å
183	Q	76.4	Confident	77.9	Confident	37 Å²	37	46.2 Å²	46.2	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-36.7	-173.2	-175.7	164.6	30.9	0	0	113.9	C179 K181 E185 W186 L187 F250 L255	C179-Q183 HydrophobicContact CB-CB 3.79Å; C179-Q183 HydrophobicContact CB-CG 4.24Å; K181-Q183 PolarHBondContact O-N 3.42Å; Q183-E185 VanDerWaalsContact C-N 3.33Å; Q183-E185 PolarHBondContact O-N 3.44Å; Q183-W186 PolarHBondContact O-N 3.23Å; Q183-L187 HydrophobicContact CG-CD1 4.24Å; Q183-L187 HydrophobicContact CG-CG 4.39Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 3.12Å; Q183-F250 PolarHBondContact NE2-O 2.83Å; Q183-L255 VanDerWaalsContact NE2-CD1 3.32Å
184	G	79	Confident	76.9	Confident	47 Å²	47	54.1 Å²	54.1	49%	0.485	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-39.7	175.3	0	0	0	0	0	113	N182 W186 L187 N188	N182-G184 VanDerWaalsContact C-N 3.28Å; N182-G184 PolarHBondContact O-N 3.47Å; G184-W186 VanDerWaalsContact C-N 3.32Å; G184-W186 PolarHBondContact O-N 3.13Å; G184-L187 PolarHBondContact O-N 3.46Å; G184-N188 WeakPolarHBondContact O-CB 3.15Å; G184-N188 VanDerWaalsContact O-CG 3.28Å; G184-N188 PolarHBondContact O-N 2.82Å; G184-N188 VanDerWaalsContact O-N 3.14Å; G184-N188 PolarHBondContact O-ND2 2.97Å
185	E	83.9	Confident	76	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.29	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-38.3	176.5	-66.4	-169.4	-125.1	0	0	111.6	N182 Q183 N188 L205 R208	N182-E185 HydrophobicContact CB-CB 4.45Å; N182-E185 WeakPolarHBondContact O-CB 3.44Å; N182-E185 PolarHBondContact O-N 3.37Å; Q183-E185 VanDerWaalsContact C-N 3.33Å; Q183-E185 PolarHBondContact O-N 3.44Å; E185-N188 PolarHBondContact O-N 3.37Å; E185-L205 HydrophobicContact CB-CD1 4.38Å; E185-L205 HydrophobicContact CB-CD2 3.8Å; E185-R208 IonicContact OE1-CZ 3.76Å; E185-R208 IonicContact OE1-NH1 3.62Å; E185-R208 PolarHBondContact OE1-NH1 3.02Å; E185-R208 IonicContact OE1-NH2 3.66Å; E185-R208 IonicContact OE2-NH1 3.69Å; E185-R208 PolarHBondContact OE2-NH1 3.35Å
186	W	84	Confident	75.4	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-44.1	177.1	-79.6	93.5	0	0	0	112.9	I178 C179 N182 Q183 G184 N188 I189 V202 L205 L206 F250 T270 I274	I178-W186 HydrophobicContact CD1-CH2 3.94Å; I178-W186 HydrophobicContact CD1-CZ2 4.47Å; I178-W186 HydrophobicContact CD1-CZ3 4.04Å; I178-W186 HydrophobicContact CG1-CD2 4.46Å; I178-W186 HydrophobicContact CG1-CE3 4.4Å; I178-W186 HydrophobicContact CG1-CH2 3.59Å; I178-W186 HydrophobicContact CG1-CZ2 3.63Å; I178-W186 HydrophobicContact CG1-CZ3 4.01Å; I178-W186 VanDerWaalsContact O-CZ2 3.22Å; I178-W186 WeakPolarHBondContact O-CZ2 3.48Å; I178-W186 PolarHBondContact O-NE1 3Å; C179-W186 HydrophobicContact CB-CG 4.43Å; C179-W186 VanDerWaalsContact SG-CD1 3.51Å; C179-W186 VanDerWaalsContact SG-CG 3.55Å; N182-W186 PolarHBondContact O-N 3.17Å; Q183-W186 PolarHBondContact O-N 3.23Å; G184-W186 VanDerWaalsContact C-N 3.32Å; G184-W186 PolarHBondContact O-N 3.13Å; W186-N188 PolarHBondContact O-N 3.34Å; W186-I189 HydrophobicContact CB-CD1 4.5Å; W186-I189 HydrophobicContact CD2-CD1 4.11Å; W186-I189 HydrophobicContact CE3-CD1 3.46Å; W186-I189 VanDerWaalsContact CE3-CD1 3.46Å; W186-I189 HydrophobicContact CZ3-CD1 3.99Å; W186-I189 WeakPolarHBondContact O-CB 3.41Å; W186-I189 WeakPolarHBondContact O-CG1 3.32Å; W186-I189 PolarHBondContact O-N 3.17Å; W186-I189 VanDerWaalsContact O-N 3.1Å; W186-V202 HydrophobicContact CH2-CG1 4.22Å; W186-V202 HydrophobicContact CZ3-CG1 4.19Å; W186-V202 HydrophobicContact CZ3-CG2 4.3Å; W186-L205 HydrophobicContact CD2-CB 4.42Å; W186-L205 HydrophobicContact CD2-CD1 4Å; W186-L205 HydrophobicContact CE3-CD1 4.42Å; W186-L205 HydrophobicContact CG-CD1 4.13Å; W186-L205 HydrophobicContact CH2-CB 4.26Å; W186-L205 HydrophobicContact CZ2-CB 3.65Å; W186-L206 HydrophobicContact CH2-CD2 3.67Å; W186-L206 HydrophobicContact CH2-CG 3.86Å; W186-L206 HydrophobicContact CZ2-CD2 3.94Å; W186-L206 HydrophobicContact CZ2-CG 4.27Å; W186-F250 HydrophobicContact CB-CE1 3.85Å; W186-F250 HydrophobicContact CE3-CZ 4.42Å; W186-F250 HydrophobicContact CG-CE1 4.39Å; W186-T270 HydrophobicContact CE3-CG2 4.12Å; W186-I274 HydrophobicContact CE3-CD1 4.04Å; W186-I274 HydrophobicContact CH2-CD1 4.35Å; W186-I274 HydrophobicContact CZ3-CD1 3.45Å; W186-I274 VanDerWaalsContact CZ3-CD1 3.45Å; W186-I274 HydrophobicContact CZ3-CG1 4.18Å
187	L	79.6	Confident	75.1	Confident	15 Å²	15	60.5 Å²	60.5	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-22.9	179.3	-64.5	179	0	0	0	112.6	Q183 G184 I189 F250 Q263 K266 V267	Q183-L187 HydrophobicContact CG-CD1 4.24Å; Q183-L187 HydrophobicContact CG-CG 4.39Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 3.12Å; G184-L187 PolarHBondContact O-N 3.46Å; L187-I189 PolarHBondContact O-N 3.38Å; L187-F250 HydrophobicContact CD2-CD1 4.16Å; L187-F250 HydrophobicContact CD2-CE1 4.36Å; L187-Q263 HydrophobicContact CD1-CG 4.08Å; L187-K266 HydrophobicContact CD2-CB 4.28Å; L187-V267 HydrophobicContact CD2-CG2 3.59Å
188	N	81.1	Confident	75.2	Confident	76 Å²	76	61.6 Å²	61.6	41%	0.406	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.5	173.8	-73.6	-14.3	0	0	0	113.5	G184 E185 W186 C190 S191	G184-N188 WeakPolarHBondContact O-CB 3.15Å; G184-N188 VanDerWaalsContact O-CG 3.28Å; G184-N188 PolarHBondContact O-N 2.82Å; G184-N188 VanDerWaalsContact O-N 3.14Å; G184-N188 PolarHBondContact O-ND2 2.97Å; E185-N188 PolarHBondContact O-N 3.37Å; W186-N188 PolarHBondContact O-N 3.34Å; N188-C190 VanDerWaalsContact C-N 3.29Å; N188-C190 PolarHBondContact O-N 2.95Å; N188-S191 VanDerWaalsContact CA-OG 3.29Å; N188-S191 WeakPolarHBondContact CA-OG 3.24Å; N188-S191 PolarHBondContact O-N 2.83Å; N188-S191 PolarHBondContact O-OG 3.05Å
189	I	78.6	Confident	75.2	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-35.5	174.2	-62.2	177.5	0	0	0	110.7	W186 L187 S191 E192 R198 K201 V202 L205 T270	W186-I189 HydrophobicContact CB-CD1 4.5Å; W186-I189 HydrophobicContact CD2-CD1 4.11Å; W186-I189 HydrophobicContact CE3-CD1 3.46Å; W186-I189 VanDerWaalsContact CE3-CD1 3.46Å; W186-I189 HydrophobicContact CZ3-CD1 3.99Å; W186-I189 WeakPolarHBondContact O-CB 3.41Å; W186-I189 WeakPolarHBondContact O-CG1 3.32Å; W186-I189 PolarHBondContact O-N 3.17Å; W186-I189 VanDerWaalsContact O-N 3.1Å; L187-I189 PolarHBondContact O-N 3.38Å; I189-S191 VanDerWaalsContact C-N 3.34Å; I189-E192 PolarHBondContact O-N 3.37Å; I189-R198 HydrophobicContact CG2-CG 3.31Å; I189-K201 HydrophobicContact CG1-CD 4.2Å; I189-K201 HydrophobicContact CG1-CG 4.34Å; I189-V202 HydrophobicContact CD1-CG2 3.68Å; I189-V202 HydrophobicContact CG2-CG2 4.1Å; I189-L205 HydrophobicContact CD1-CD1 3.55Å; I189-L205 HydrophobicContact CG1-CD1 4.07Å; I189-T270 HydrophobicContact CD1-CG2 4.42Å
190	C	68.5	Low	75.5	Confident	23 Å²	23	69.4 Å²	69.4	16%	0.155	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.5	177.8	-72.7	0	0	0	0	113.9	N188 E192 R198 K266 E269 T270	N188-C190 VanDerWaalsContact C-N 3.29Å; N188-C190 PolarHBondContact O-N 2.95Å; C190-E192 VanDerWaalsContact C-N 3.29Å; C190-E192 PolarHBondContact O-N 2.95Å; C190-R198 PolarHBondContact SG-NH2 3.31Å; C190-K266 HydrophobicContact CB-CG 4.35Å; C190-K266 PolarHBondContact SG-O 3.14Å; C190-K266 VanDerWaalsContact SG-O 3.34Å; C190-E269 WeakPolarHBondContact CB-OE2 3.39Å; C190-E269 WeakPolarHBondContact SG-CB 3.41Å; C190-E269 PolarHBondContact SG-OE2 2.77Å; C190-E269 VanDerWaalsContact SG-OE2 3.34Å; C190-T270 PolarHBondContact SG-N 3.37Å; C190-T270 PolarHBondContact SG-OG1 2.94Å
191	S	69	Low	75.8	Confident	74 Å²	74	69.4 Å²	69.4	52%	0.517	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.2	-179.6	37.3	0	0	0	0	113.7	N188 I189	N188-S191 VanDerWaalsContact CA-OG 3.29Å; N188-S191 WeakPolarHBondContact CA-OG 3.24Å; N188-S191 PolarHBondContact O-N 2.83Å; N188-S191 PolarHBondContact O-OG 3.05Å; I189-S191 VanDerWaalsContact C-N 3.34Å
192	E	62.7	Low	76.3	Confident	88 Å²	88	61.7 Å²	61.7	41%	0.411	34%	0.342	S	S	.	.	S	Bend	trans	-99.8	140.4	-178.1	-74.1	175.2	-169.9	0	0	111.5	I189 C190 K201	I189-E192 PolarHBondContact O-N 3.37Å; C190-E192 VanDerWaalsContact C-N 3.29Å; C190-E192 PolarHBondContact O-N 2.95Å; E192-K201 IonicContact OE1-NZ 2.6Å; E192-K201 PolarHBondContact OE1-NZ 3.26Å; E192-K201 WeakPolarHBondContact OE2-CD 3.48Å; E192-K201 IonicContact OE2-NZ 2.77Å; E192-K201 PolarHBondContact OE2-NZ 3.2Å
193	N	57	Low	76.5	Confident	143 Å²	143	64.2 Å²	64.2	77%	0.765	35%	0.351	S	S	*	.			trans	-43.3	145	-170.4	-77.7	-33.2	0	0	0	115.7	G195	N193-G195 PolarHBondContact O-N 3.21Å
194	L	67.6	Low	77	Confident	168 Å²	168	68.9 Å²	68.9	88%	0.88	37%	0.367	S	S	*	.	S	Bend	trans	-57	127.5	-179.1	-65.7	165	0	0	0	112.2
195	G	68.2	Low	77.3	Confident	44 Å²	44	66.7 Å²	66.7	45%	0.454	34%	0.344	S	S	.	.	S	Bend	trans	130.4	-138.3	166	0	0	0	0	0	115.5	N193 R198	N193-G195 PolarHBondContact O-N 3.21Å; G195-R198 PolarHBondContact O-N 3.07Å
196	T	74.1	Confident	77.2	Confident	107 Å²	107	66.2 Å²	66.2	66%	0.656	34%	0.343	S	S	*	.	H	α-helix	trans	-66.8	-38.9	-171	48.4	0	0	0	0	113.4	R198 L199 E200	T196-R198 PolarHBondContact O-N 2.86Å; T196-L199 WeakPolarHBondContact O-CB 3.34Å; T196-L199 PolarHBondContact O-N 3.05Å; T196-E200 PolarHBondContact O-N 3.41Å
197	K	79.7	Confident	77.1	Confident	151 Å²	151	70.7 Å²	70.7	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-57.9	-38	178.2	-68.2	-173.6	177.2	-176.8	0	112.5	E200 K201	K197-E200 PolarHBondContact O-N 3.14Å; K197-K201 WeakPolarHBondContact O-CB 3.37Å; K197-K201 PolarHBondContact O-N 2.83Å
198	R	81.8	Confident	77.4	Confident	23 Å²	23	76.1 Å²	76.1	9%	0.087	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-42.5	177.4	-164.9	178.1	165.6	155.9	4.8	111.3	I189 C190 G195 T196 K201 V202 E269 F273	I189-R198 HydrophobicContact CG2-CG 3.31Å; C190-R198 PolarHBondContact SG-NH2 3.31Å; G195-R198 PolarHBondContact O-N 3.07Å; T196-R198 PolarHBondContact O-N 2.86Å; R198-K201 PolarHBondContact O-N 2.87Å; R198-V202 WeakPolarHBondContact O-CG2 3.39Å; R198-V202 PolarHBondContact O-N 3.2Å; R198-E269 PolarHBondContact NH2-O 3.43Å; R198-F273 HydrophobicContact CB-CE1 4.3Å; R198-F273 HydrophobicContact CB-CE2 4.24Å; R198-F273 HydrophobicContact CB-CZ 3.75Å; R198-F273 HydrophobicContact CG-CD1 4.23Å; R198-F273 HydrophobicContact CG-CD2 4.46Å; R198-F273 HydrophobicContact CG-CE1 3.72Å; R198-F273 HydrophobicContact CG-CE2 3.98Å; R198-F273 HydrophobicContact CG-CZ 3.57Å; R198-F273 VanDerWaalsContact NE-CG 3.26Å; R198-F273 VanDerWaalsContact NH2-CB 3.35Å
199	L	81.4	Confident	77.4	Confident	43 Å²	43	73.3 Å²	73.3	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-66.8	-44.3	176.9	-179.7	60.6	0	0	0	111.8	T196 K201 V202 K203 F273 K277	T196-L199 WeakPolarHBondContact O-CB 3.34Å; T196-L199 PolarHBondContact O-N 3.05Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.48Å; L199-V202 PolarHBondContact O-N 2.9Å; L199-K203 HydrophobicContact CD1-CG 4.43Å; L199-K203 HydrophobicContact CG-CD 4.41Å; L199-K203 WeakPolarHBondContact O-CG 3.45Å; L199-K203 PolarHBondContact O-N 2.66Å; L199-F273 HydrophobicContact CB-CZ 4.36Å; L199-K277 HydrophobicContact CD1-CB 4.08Å
200	E	83.7	Confident	77.6	Confident	123 Å²	123	76.7 Å²	76.7	58%	0.575	40%	0.401	S	S	*	.	H	α-helix	trans	-59.3	-40.7	176.2	-72.7	172.2	175.5	0	0	111.8	T196 K197 K203 R204	T196-E200 PolarHBondContact O-N 3.41Å; K197-E200 PolarHBondContact O-N 3.14Å; E200-K203 PolarHBondContact O-N 3.03Å; E200-R204 WeakPolarHBondContact O-CB 3.42Å; E200-R204 PolarHBondContact O-N 3.24Å
201	K	84.5	Confident	78	Confident	17 Å²	17	81.7 Å²	81.7	7%	0.074	43%	0.426	C	S	.	.	H	α-helix	trans	-65.7	-44.3	175.9	-171.8	169.2	-178	-178.4	0	112.3	I189 E192 K197 R198 L199 K203 R204 L205	I189-K201 HydrophobicContact CG1-CD 4.2Å; I189-K201 HydrophobicContact CG1-CG 4.34Å; E192-K201 IonicContact OE1-NZ 2.6Å; E192-K201 PolarHBondContact OE1-NZ 3.26Å; E192-K201 WeakPolarHBondContact OE2-CD 3.48Å; E192-K201 IonicContact OE2-NZ 2.77Å; E192-K201 PolarHBondContact OE2-NZ 3.2Å; K197-K201 WeakPolarHBondContact O-CB 3.37Å; K197-K201 PolarHBondContact O-N 2.83Å; R198-K201 PolarHBondContact O-N 2.87Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.48Å; K201-K203 VanDerWaalsContact C-N 3.35Å; K201-R204 PolarHBondContact O-N 3.02Å; K201-L205 HydrophobicContact CG-CD1 4.1Å; K201-L205 WeakPolarHBondContact O-CB 3.43Å; K201-L205 WeakPolarHBondContact O-CG 3.42Å; K201-L205 PolarHBondContact O-N 2.99Å
202	V	83.1	Confident	78.3	Confident	7 Å²	7	78.7 Å²	78.7	4%	0.042	41%	0.405	C	S	.	.	H	α-helix	trans	-57.8	-48.6	173.1	169	0	0	0	0	110.3	W186 I189 R198 L199 R204 L205 L206 F273 I274	W186-V202 HydrophobicContact CH2-CG1 4.22Å; W186-V202 HydrophobicContact CZ3-CG1 4.19Å; W186-V202 HydrophobicContact CZ3-CG2 4.3Å; I189-V202 HydrophobicContact CD1-CG2 3.68Å; I189-V202 HydrophobicContact CG2-CG2 4.1Å; R198-V202 WeakPolarHBondContact O-CG2 3.39Å; R198-V202 PolarHBondContact O-N 3.2Å; L199-V202 PolarHBondContact O-N 2.9Å; V202-R204 VanDerWaalsContact C-N 3.33Å; V202-R204 PolarHBondContact O-N 2.65Å; V202-L205 PolarHBondContact O-N 3.24Å; V202-L205 VanDerWaalsContact O-N 3.11Å; V202-L206 HydrophobicContact CG1-CD1 3.8Å; V202-L206 HydrophobicContact CG1-CG 4.22Å; V202-L206 WeakPolarHBondContact O-CG 3.27Å; V202-L206 PolarHBondContact O-N 2.83Å; V202-F273 HydrophobicContact CG2-CD1 4.03Å; V202-F273 HydrophobicContact CG2-CE1 3.77Å; V202-I274 HydrophobicContact CG1-CG1 4.43Å
203	K	83.2	Confident	79.2	Confident	98 Å²	98	75.3 Å²	75.3	43%	0.426	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-45.2	178	-74.3	-177.4	175.6	-169.5	0	112.1	L199 E200 K201 L205 L206 S207	L199-K203 HydrophobicContact CD1-CG 4.43Å; L199-K203 HydrophobicContact CG-CD 4.41Å; L199-K203 WeakPolarHBondContact O-CG 3.45Å; L199-K203 PolarHBondContact O-N 2.66Å; E200-K203 PolarHBondContact O-N 3.03Å; K201-K203 VanDerWaalsContact C-N 3.35Å; K203-L205 VanDerWaalsContact C-N 3.33Å; K203-L205 PolarHBondContact O-N 3.41Å; K203-L206 PolarHBondContact O-N 3.1Å; K203-S207 WeakPolarHBondContact O-CB 3.49Å; K203-S207 PolarHBondContact O-N 2.98Å
204	R	86.1	Confident	80.3	Confident	135 Å²	135	70.4 Å²	70.4	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-34.2	176.8	-173.4	-179.2	68.5	-151.4	2.8	113	E200 K201 V202 S207 R208	E200-R204 WeakPolarHBondContact O-CB 3.42Å; E200-R204 PolarHBondContact O-N 3.24Å; K201-R204 PolarHBondContact O-N 3.02Å; V202-R204 VanDerWaalsContact C-N 3.33Å; V202-R204 PolarHBondContact O-N 2.65Å; R204-S207 PolarHBondContact O-OG 3.42Å; R204-R208 WeakPolarHBondContact O-CG 3.35Å
205	L	85	Confident	80.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-73.6	-42.1	177.3	-74.5	167.1	0	0	0	111.4	N182 E185 W186 I189 K201 V202 K203 S207 R208	N182-L205 HydrophobicContact CB-CD2 4.47Å; E185-L205 HydrophobicContact CB-CD1 4.38Å; E185-L205 HydrophobicContact CB-CD2 3.8Å; W186-L205 HydrophobicContact CD2-CB 4.42Å; W186-L205 HydrophobicContact CD2-CD1 4Å; W186-L205 HydrophobicContact CE3-CD1 4.42Å; W186-L205 HydrophobicContact CG-CD1 4.13Å; W186-L205 HydrophobicContact CH2-CB 4.26Å; W186-L205 HydrophobicContact CZ2-CB 3.65Å; I189-L205 HydrophobicContact CD1-CD1 3.55Å; I189-L205 HydrophobicContact CG1-CD1 4.07Å; K201-L205 HydrophobicContact CG-CD1 4.1Å; K201-L205 WeakPolarHBondContact O-CB 3.43Å; K201-L205 WeakPolarHBondContact O-CG 3.42Å; K201-L205 PolarHBondContact O-N 2.99Å; V202-L205 PolarHBondContact O-N 3.24Å; V202-L205 VanDerWaalsContact O-N 3.11Å; K203-L205 VanDerWaalsContact C-N 3.33Å; K203-L205 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.43Å; L205-R208 PolarHBondContact O-N 3.08Å
206	L	82.4	Confident	81.5	Confident	53 Å²	53	61.3 Å²	61.3	28%	0.277	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-40	173.6	-69.8	173.9	0	0	0	111.5	W186 V202 K203 R208 L209 L217	W186-L206 HydrophobicContact CH2-CD2 3.67Å; W186-L206 HydrophobicContact CH2-CG 3.86Å; W186-L206 HydrophobicContact CZ2-CD2 3.94Å; W186-L206 HydrophobicContact CZ2-CG 4.27Å; V202-L206 HydrophobicContact CG1-CD1 3.8Å; V202-L206 HydrophobicContact CG1-CG 4.22Å; V202-L206 WeakPolarHBondContact O-CG 3.27Å; V202-L206 PolarHBondContact O-N 2.83Å; K203-L206 PolarHBondContact O-N 3.1Å; L206-R208 PolarHBondContact O-N 3.24Å; L206-R208 VanDerWaalsContact O-N 3.07Å; L206-L209 HydrophobicContact CD2-CD1 3.82Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 3.47Å; L206-L217 HydrophobicContact CD2-CD1 4.12Å
207	S	82.8	Confident	81.9	Confident	94 Å²	94	56.5 Å²	56.5	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.5	178.3	75.8	0	0	0	0	114.5	K203 R204 L205	K203-S207 WeakPolarHBondContact O-CB 3.49Å; K203-S207 PolarHBondContact O-N 2.98Å; R204-S207 PolarHBondContact O-OG 3.42Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.43Å
208	R	84.8	Confident	81.9	Confident	129 Å²	129	52.8 Å²	52.8	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-3.7	175.3	-66.9	169.7	75.2	-167.2	1	112.4	E185 R204 L205 L206	E185-R208 IonicContact OE1-CZ 3.76Å; E185-R208 IonicContact OE1-NH1 3.62Å; E185-R208 PolarHBondContact OE1-NH1 3.02Å; E185-R208 IonicContact OE1-NH2 3.66Å; E185-R208 IonicContact OE2-NH1 3.69Å; E185-R208 PolarHBondContact OE2-NH1 3.35Å; R204-R208 WeakPolarHBondContact O-CG 3.35Å; L205-R208 PolarHBondContact O-N 3.08Å; L206-R208 PolarHBondContact O-N 3.24Å; L206-R208 VanDerWaalsContact O-N 3.07Å
209	L	81.9	Confident	81.9	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.089	27%	0.27	C	S	.	.	S	Bend	trans	-78.2	146.9	178	-67.3	176.5	0	0	0	110.7	L206 N213 L217	L206-L209 HydrophobicContact CD2-CD1 3.82Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 3.47Å; L209-N213 HydrophobicContact CB-CB 4.13Å; L209-L217 HydrophobicContact CD1-CD1 3.3Å
210	P	81.6	Confident	82.3	Confident	72 Å²	72	52.7 Å²	52.7	47%	0.468	26%	0.259	S	S	.	.			trans	-55.8	147.2	168.1	-22.8	33	0	0	0	111.4	C212 N213 T214	P210-C212 PolarHBondContact O-N 3.17Å; P210-C212 VanDerWaalsContact O-N 3.12Å; P210-N213 WeakPolarHBondContact O-CA 3.38Å; P210-N213 WeakPolarHBondContact O-CB 3.47Å; P210-N213 PolarHBondContact O-N 3.48Å; P210-T214 PolarHBondContact O-N 3.31Å; P210-T214 PolarHBondContact O-OG1 3.33Å
211	D	77.1	Confident	82.5	Confident	128 Å²	128	48.3 Å²	48.3	68%	0.684	24%	0.239	S	C	*	.	H	α-helix	trans	-53.1	-39.2	-177.7	-61.4	-27.5	0	0	0	113	N213 T214 L215	D211-N213 VanDerWaalsContact C-N 3.33Å; D211-N213 PolarHBondContact O-N 2.91Å; D211-T214 PolarHBondContact O-N 3.01Å; D211-L215 WeakPolarHBondContact O-CB 3.28Å; D211-L215 PolarHBondContact O-N 3.19Å
212	C	76.5	Confident	82.5	Confident	11 Å²	11	52 Å²	52	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-34.3	177.7	60.2	0	0	0	0	113.1	P210 F216	P210-C212 PolarHBondContact O-N 3.17Å; P210-C212 VanDerWaalsContact O-N 3.12Å; C212-F216 WeakPolarHBondContact O-CB 3.21Å; C212-F216 PolarHBondContact O-N 3.23Å; C212-F216 VanDerWaalsContact O-N 3.15Å
213	N	80.7	Confident	82.7	Confident	17 Å²	17	51.8 Å²	51.8	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-70.6	-45.7	174	-74.6	52.2	0	0	0	110.4	L78 A177 L209 P210 D211 L215 F216 L217	L78-N213 HydrophobicContact CD1-CB 4.49Å; A177-N213 PolarHBondContact O-ND2 3.11Å; A177-N213 VanDerWaalsContact O-ND2 3.08Å; L209-N213 HydrophobicContact CB-CB 4.13Å; P210-N213 WeakPolarHBondContact O-CA 3.38Å; P210-N213 WeakPolarHBondContact O-CB 3.47Å; P210-N213 PolarHBondContact O-N 3.48Å; D211-N213 VanDerWaalsContact C-N 3.33Å; D211-N213 PolarHBondContact O-N 2.91Å; N213-L215 PolarHBondContact O-N 3.33Å; N213-F216 PolarHBondContact O-N 2.72Å; N213-L217 WeakPolarHBondContact O-CB 3.42Å; N213-L217 VanDerWaalsContact O-CG 3.24Å; N213-L217 WeakPolarHBondContact O-CG 3.48Å; N213-L217 PolarHBondContact O-N 3.49Å
214	T	79.2	Confident	83.2	Confident	40 Å²	40	47.1 Å²	47.1	25%	0.245	23%	0.231	C	C	.	.	H	α-helix	trans	-57.2	-51.1	178.5	-57.8	0	0	0	0	110.7	P210 D211 F216 L217 E218	P210-T214 PolarHBondContact O-N 3.31Å; P210-T214 PolarHBondContact O-OG1 3.33Å; D211-T214 PolarHBondContact O-N 3.01Å; T214-F216 PolarHBondContact O-N 3.26Å; T214-L217 PolarHBondContact O-N 3.13Å; T214-E218 WeakPolarHBondContact O-CG 3.21Å; T214-E218 PolarHBondContact O-N 2.9Å
215	L	78.4	Confident	83.3	Confident	19 Å²	19	42.7 Å²	42.7	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-46.1	178.6	-175.6	69.2	0	0	0	112.3	L87 L88 I91 D211 N213 L217 E218 Y219	L87-L215 HydrophobicContact CB-CD2 4.4Å; L87-L215 WeakPolarHBondContact O-CD2 3.5Å; L88-L215 HydrophobicContact CB-CD2 4.41Å; L88-L215 HydrophobicContact CD2-CD2 3.69Å; L88-L215 HydrophobicContact CG-CD2 3.7Å; I91-L215 HydrophobicContact CD1-CD1 4.31Å; D211-L215 WeakPolarHBondContact O-CB 3.28Å; D211-L215 PolarHBondContact O-N 3.19Å; N213-L215 PolarHBondContact O-N 3.33Å; L215-L217 VanDerWaalsContact C-N 3.27Å; L215-L217 PolarHBondContact O-N 3.41Å; L215-E218 PolarHBondContact O-N 3.03Å; L215-Y219 HydrophobicContact CD1-CD2 4.37Å; L215-Y219 HydrophobicContact CD1-CE2 4.03Å; L215-Y219 HydrophobicContact CG-CD2 4.3Å; L215-Y219 HydrophobicContact CG-CE2 4.21Å; L215-Y219 WeakPolarHBondContact O-CD2 3.47Å; L215-Y219 PolarHBondContact O-N 3.22Å
216	F	82.7	Confident	83.5	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-40.2	177.7	178.3	-90.3	0	0	0	111.7	L78 F112 F116 L166 F169 L170 A177 C212 N213 T214 Y219 L220	L78-F216 HydrophobicContact CD1-CB 4.26Å; L78-F216 HydrophobicContact CD1-CD1 4.34Å; L78-F216 HydrophobicContact CD1-CG 4.28Å; L78-F216 HydrophobicContact CD2-CB 4.43Å; L78-F216 HydrophobicContact CD2-CD2 4.2Å; L78-F216 HydrophobicContact CD2-CG 4.23Å; F112-F216 AromaticContact CD1-CE2 3.96Å; F112-F216 HydrophobicContact CD1-CE2 3.96Å; F112-F216 AromaticContact CE1-CE2 3.73Å; F112-F216 HydrophobicContact CE1-CE2 3.73Å; F112-F216 HydrophobicContact CZ-CE2 4.4Å; F116-F216 HydrophobicContact CE2-CD2 4.43Å; F116-F216 AromaticContact CE2-CE2 3.92Å; F116-F216 HydrophobicContact CE2-CE2 3.92Å; F116-F216 HydrophobicContact CZ-CE2 4.06Å; F116-F216 HydrophobicContact CZ-CZ 4.28Å; L166-F216 HydrophobicContact CD1-CZ 3.96Å; F169-F216 HydrophobicContact CD1-CE2 4.18Å; F169-F216 AromaticContact CD1-CZ 3.8Å; F169-F216 HydrophobicContact CD1-CZ 3.8Å; F169-F216 HydrophobicContact CE1-CD2 4.43Å; F169-F216 HydrophobicContact CE1-CE1 4.22Å; F169-F216 AromaticContact CE1-CE2 3.67Å; F169-F216 HydrophobicContact CE1-CE2 3.67Å; F169-F216 AromaticContact CE1-CZ 3.55Å; F169-F216 HydrophobicContact CE1-CZ 3.55Å; L170-F216 HydrophobicContact CD2-CE1 3.7Å; L170-F216 HydrophobicContact CD2-CZ 4.26Å; A177-F216 HydrophobicContact CB-CD1 4.36Å; A177-F216 HydrophobicContact CB-CE1 4.49Å; C212-F216 WeakPolarHBondContact O-CB 3.21Å; C212-F216 PolarHBondContact O-N 3.23Å; C212-F216 VanDerWaalsContact O-N 3.15Å; N213-F216 PolarHBondContact O-N 2.72Å; T214-F216 PolarHBondContact O-N 3.26Å; F216-Y219 PolarHBondContact O-N 2.96Å; F216-L220 HydrophobicContact CE1-CD2 4.24Å; F216-L220 WeakPolarHBondContact O-CB 3.48Å; F216-L220 PolarHBondContact O-N 3.19Å
217	L	83.4	Confident	84.1	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-38.1	176.8	-73.2	171	0	0	0	112.4	A177 I178 L206 L209 N213 T214 L215 Y219 L220 M221 L249	A177-L217 HydrophobicContact CB-CD2 4.21Å; I178-L217 HydrophobicContact CB-CD1 4.29Å; I178-L217 HydrophobicContact CB-CD2 4.03Å; I178-L217 HydrophobicContact CD1-CD2 4.41Å; I178-L217 HydrophobicContact CG1-CD1 4.14Å; I178-L217 HydrophobicContact CG1-CD2 4.31Å; L206-L217 HydrophobicContact CD2-CD1 4.12Å; L209-L217 HydrophobicContact CD1-CD1 3.3Å; N213-L217 WeakPolarHBondContact O-CB 3.42Å; N213-L217 VanDerWaalsContact O-CG 3.24Å; N213-L217 WeakPolarHBondContact O-CG 3.48Å; N213-L217 PolarHBondContact O-N 3.49Å; T214-L217 PolarHBondContact O-N 3.13Å; L215-L217 VanDerWaalsContact C-N 3.27Å; L215-L217 PolarHBondContact O-N 3.41Å; L217-Y219 VanDerWaalsContact C-N 3.34Å; L217-Y219 PolarHBondContact O-N 3.49Å; L217-L220 HydrophobicContact CD2-CD2 4.47Å; L217-L220 PolarHBondContact O-N 3.38Å; L217-M221 WeakPolarHBondContact O-CB 3.29Å; L217-M221 VanDerWaalsContact O-CG 3.27Å; L217-M221 WeakPolarHBondContact O-CG 3.33Å; L217-M221 PolarHBondContact O-N 3.3Å; L217-L249 HydrophobicContact CD2-CD1 3.9Å
218	E	79.1	Confident	84.7	Confident	73 Å²	73	37.7 Å²	37.7	34%	0.341	19%	0.186	S	C	.	.	H	α-helix	trans	-57.3	-47.8	175.6	-74.7	174.5	169.5	0	0	111.2	I23 T214 L215 L220 M221 Y222	I23-E218 WeakPolarHBondContact CD1-OE2 2.92Å; T214-E218 WeakPolarHBondContact O-CG 3.21Å; T214-E218 PolarHBondContact O-N 2.9Å; L215-E218 PolarHBondContact O-N 3.03Å; E218-L220 PolarHBondContact O-N 2.87Å; E218-M221 PolarHBondContact O-N 3.41Å; E218-Y222 WeakPolarHBondContact O-CB 3.06Å; E218-Y222 PolarHBondContact O-N 2.86Å
219	Y	81.7	Confident	85.1	Confident	63 Å²	63	37.7 Å²	37.7	25%	0.247	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-42.1	174.4	-84.6	-75.9	0	0	0	113.2	I91 L215 F216 L217 Y222 L223	I91-Y219 HydrophobicContact CD1-CE2 3.87Å; I91-Y219 WeakPolarHBondContact CD1-OH 3.11Å; I91-Y219 WeakPolarHBondContact CG1-OH 3.41Å; L215-Y219 HydrophobicContact CD1-CD2 4.37Å; L215-Y219 HydrophobicContact CD1-CE2 4.03Å; L215-Y219 HydrophobicContact CG-CD2 4.3Å; L215-Y219 HydrophobicContact CG-CE2 4.21Å; L215-Y219 WeakPolarHBondContact O-CD2 3.47Å; L215-Y219 PolarHBondContact O-N 3.22Å; F216-Y219 PolarHBondContact O-N 2.96Å; L217-Y219 VanDerWaalsContact C-N 3.34Å; L217-Y219 PolarHBondContact O-N 3.49Å; Y219-Y222 PolarHBondContact O-N 3.45Å; Y219-L223 PolarHBondContact O-N 2.89Å
220	L	89.5	Confident	85.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-42.9	178.2	-175.9	61.9	0	0	0	111.7	F116 L166 L170 F216 L217 E218 L223 C224 L245 L249	F116-L220 HydrophobicContact CE1-CD1 4.43Å; F116-L220 HydrophobicContact CZ-CB 4.5Å; L166-L220 HydrophobicContact CD2-CD1 3.8Å; L166-L220 HydrophobicContact CG-CD1 4.41Å; L170-L220 HydrophobicContact CD1-CD2 4.04Å; L170-L220 HydrophobicContact CD2-CD2 4.15Å; F216-L220 HydrophobicContact CE1-CD2 4.24Å; F216-L220 WeakPolarHBondContact O-CB 3.48Å; F216-L220 PolarHBondContact O-N 3.19Å; L217-L220 HydrophobicContact CD2-CD2 4.47Å; L217-L220 PolarHBondContact O-N 3.38Å; E218-L220 PolarHBondContact O-N 2.87Å; L220-L223 PolarHBondContact O-N 3.29Å; L220-C224 PolarHBondContact O-N 3.42Å; L220-C224 PolarHBondContact O-SG 3.31Å; L220-L245 HydrophobicContact CD1-CD2 4.35Å; L220-L249 HydrophobicContact CD2-CD1 3.6Å
221	M	88	Confident	86.4	Confident	32 Å²	32	37.5 Å²	37.5	16%	0.158	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-40.5	178.2	-68.4	-49.9	105.5	0	0	110.8	L217 E218 L223 C224 I225 L249 I274	L217-M221 WeakPolarHBondContact O-CB 3.29Å; L217-M221 VanDerWaalsContact O-CG 3.27Å; L217-M221 WeakPolarHBondContact O-CG 3.33Å; L217-M221 PolarHBondContact O-N 3.3Å; E218-M221 PolarHBondContact O-N 3.41Å; M221-L223 VanDerWaalsContact C-N 3.35Å; M221-L223 PolarHBondContact O-N 2.88Å; M221-C224 WeakPolarHBondContact O-CB 3.35Å; M221-C224 PolarHBondContact O-N 2.86Å; M221-C224 VanDerWaalsContact O-N 3.08Å; M221-I225 WeakPolarHBondContact O-CG1 3.43Å; M221-I225 PolarHBondContact O-N 2.97Å; M221-L249 HydrophobicContact CE-CD2 4.26Å; M221-I274 HydrophobicContact CG-CG2 4.43Å; M221-I274 HydrophobicContact SD-CG2 3.66Å
222	Y	85.2	Confident	87.4	Confident	95 Å²	95	34.6 Å²	34.6	37%	0.373	19%	0.189	S	C	.	.	H	α-helix	trans	-57.1	-47.4	172.2	179.5	-103	0	0	0	111.8	I28 L120 E218 Y219 C224 I225 C226	I28-Y222 HydrophobicContact CD1-CD1 4.43Å; I28-Y222 HydrophobicContact CD1-CE1 3.69Å; L120-Y222 HydrophobicContact CD1-CD1 4.23Å; L120-Y222 HydrophobicContact CD1-CE1 4.01Å; L120-Y222 HydrophobicContact CD2-CD1 4Å; L120-Y222 HydrophobicContact CD2-CE1 3.78Å; E218-Y222 WeakPolarHBondContact O-CB 3.06Å; E218-Y222 PolarHBondContact O-N 2.86Å; Y219-Y222 PolarHBondContact O-N 3.45Å; Y222-C224 VanDerWaalsContact C-N 3.3Å; Y222-C224 PolarHBondContact O-N 2.63Å; Y222-I225 PolarHBondContact O-N 3.46Å; Y222-C226 VanDerWaalsContact CZ-SG 3.59Å; Y222-C226 PolarHBondContact O-N 3.44Å; Y222-C226 PolarHBondContact O-SG 3.33Å; Y222-C226 VanDerWaalsContact O-SG 3.36Å
223	L	87.9	Confident	88.4	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-42.8	173.6	173.1	62.9	0	0	0	111.9	F116 L119 L120 I124 F130 L166 Y219 L220 M221 C226 V227	F116-L223 HydrophobicContact CD1-CB 4.32Å; F116-L223 HydrophobicContact CD1-CD2 4Å; F116-L223 HydrophobicContact CE1-CB 4.33Å; F116-L223 HydrophobicContact CE1-CD2 4.01Å; L119-L223 HydrophobicContact CB-CD1 3.82Å; L119-L223 HydrophobicContact CB-CD2 3.96Å; L119-L223 HydrophobicContact CD1-CD2 3.8Å; L119-L223 HydrophobicContact CG-CD2 4.46Å; L120-L223 HydrophobicContact CD2-CB 4.38Å; L120-L223 HydrophobicContact CD2-CD1 3.77Å; L120-L223 HydrophobicContact CG-CD1 4.08Å; I124-L223 HydrophobicContact CG2-CD1 4.48Å; F130-L223 HydrophobicContact CE2-CD2 4.48Å; F130-L223 HydrophobicContact CZ-CD2 3.95Å; L166-L223 HydrophobicContact CD2-CD2 3.92Å; Y219-L223 PolarHBondContact O-N 2.89Å; L220-L223 PolarHBondContact O-N 3.29Å; M221-L223 VanDerWaalsContact C-N 3.35Å; M221-L223 PolarHBondContact O-N 2.88Å; L223-C226 PolarHBondContact O-N 2.87Å; L223-V227 HydrophobicContact CD1-CG2 4.24Å; L223-V227 WeakPolarHBondContact O-CG2 2.78Å; L223-V227 PolarHBondContact O-N 3.25Å
224	C	93	Very high	89.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-43.9	177.8	-65.9	0	0	0	0	111.7	L220 M221 Y222 V227 V228 L241 L245 I275	L220-C224 PolarHBondContact O-N 3.42Å; L220-C224 PolarHBondContact O-SG 3.31Å; M221-C224 WeakPolarHBondContact O-CB 3.35Å; M221-C224 PolarHBondContact O-N 2.86Å; M221-C224 VanDerWaalsContact O-N 3.08Å; Y222-C224 VanDerWaalsContact C-N 3.3Å; Y222-C224 PolarHBondContact O-N 2.63Å; C224-V227 PolarHBondContact O-N 3.09Å; C224-V228 WeakPolarHBondContact O-CG2 2.85Å; C224-V228 PolarHBondContact O-N 3.31Å; C224-L241 HydrophobicContact CB-CD2 3.81Å; C224-L245 WeakPolarHBondContact SG-CD2 3.43Å; C224-I275 HydrophobicContact CB-CD1 4.26Å; C224-I275 HydrophobicContact CB-CG1 4Å; C224-I275 HydrophobicContact CB-CG2 4.33Å
225	I	87.9	Confident	90.1	Very high	43 Å²	43	41.4 Å²	41.4	22%	0.221	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-51.1	176	-68.6	163.6	0	0	0	109.7	M221 Y222 V227 V228 E229	M221-I225 WeakPolarHBondContact O-CG1 3.43Å; M221-I225 PolarHBondContact O-N 2.97Å; Y222-I225 PolarHBondContact O-N 3.46Å; I225-V227 VanDerWaalsContact C-N 3.28Å; I225-V227 PolarHBondContact O-N 2.78Å; I225-V228 PolarHBondContact O-N 3.43Å; I225-V228 VanDerWaalsContact O-N 3.09Å; I225-E229 HydrophobicContact CG2-CG 4.22Å; I225-E229 WeakPolarHBondContact O-CG 3.37Å; I225-E229 PolarHBondContact O-N 3.48Å
226	C	89.4	Confident	91	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.081	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-37.2	178.8	-63.9	0	0	0	0	112.6	L120 I124 Y222 L223 N230	L120-C226 HydrophobicContact CD2-CB 4.04Å; I124-C226 HydrophobicContact CG2-CB 3.95Å; Y222-C226 VanDerWaalsContact CZ-SG 3.59Å; Y222-C226 PolarHBondContact O-N 3.44Å; Y222-C226 PolarHBondContact O-SG 3.33Å; Y222-C226 VanDerWaalsContact O-SG 3.36Å; L223-C226 PolarHBondContact O-N 2.87Å; C226-N230 WeakPolarHBondContact O-CB 3.07Å; C226-N230 PolarHBondContact O-N 3.18Å; C226-N230 PolarHBondContact O-ND2 3.36Å
227	V	94.8	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-49.1	173.8	169.9	0	0	0	0	110.6	I124 I129 F130 L223 C224 I225 E229 N230 S231 N234 M236 L241	I124-V227 HydrophobicContact CG2-CG2 4.1Å; I129-V227 HydrophobicContact CG2-CG1 3.8Å; I129-V227 HydrophobicContact CG2-CG2 4.24Å; F130-V227 HydrophobicContact CE2-CG2 4.28Å; L223-V227 HydrophobicContact CD1-CG2 4.24Å; L223-V227 WeakPolarHBondContact O-CG2 2.78Å; L223-V227 PolarHBondContact O-N 3.25Å; C224-V227 PolarHBondContact O-N 3.09Å; I225-V227 VanDerWaalsContact C-N 3.28Å; I225-V227 PolarHBondContact O-N 2.78Å; V227-E229 PolarHBondContact O-N 2.96Å; V227-N230 CarbonylContact O-C 3.59Å; V227-N230 PolarHBondContact O-N 3.06Å; V227-N230 VanDerWaalsContact O-N 3.13Å; V227-S231 PolarHBondContact O-N 3.06Å; V227-N234 PolarHBondContact O-ND2 2.91Å; V227-M236 HydrophobicContact CG1-CB 3.87Å; V227-L241 HydrophobicContact CB-CD2 4.2Å; V227-L241 HydrophobicContact CG1-CD1 4.43Å; V227-L241 HydrophobicContact CG1-CD2 4.05Å
228	V	95.5	Very high	92.4	Very high	31 Å²	31	44.3 Å²	44.3	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-39.6	-178.5	172.9	0	0	0	0	111.9	C224 I225 N230 S231 L241 I275	C224-V228 WeakPolarHBondContact O-CG2 2.85Å; C224-V228 PolarHBondContact O-N 3.31Å; I225-V228 PolarHBondContact O-N 3.43Å; I225-V228 VanDerWaalsContact O-N 3.09Å; V228-N230 PolarHBondContact O-N 3.39Å; V228-S231 WeakPolarHBondContact O-CB 3.48Å; V228-S231 PolarHBondContact O-N 2.87Å; V228-S231 VanDerWaalsContact O-N 3.07Å; V228-S231 PolarHBondContact O-OG 3.48Å; V228-L241 HydrophobicContact CG2-CD2 4.01Å; V228-I275 HydrophobicContact CG2-CG2 3.87Å
229	E	92.6	Very high	93.2	Very high	128 Å²	128	45.1 Å²	45.1	60%	0.598	24%	0.239	S	C	*	.	H	α-helix	trans	-62.7	-29.8	175.2	-73.2	-179	156.6	0	0	112.4	I225 V227 S231	I225-E229 HydrophobicContact CG2-CG 4.22Å; I225-E229 WeakPolarHBondContact O-CG 3.37Å; I225-E229 PolarHBondContact O-N 3.48Å; V227-E229 PolarHBondContact O-N 2.96Å; E229-S231 VanDerWaalsContact C-N 3.34Å
230	N	95.5	Very high	94	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.251	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	16.1	176.5	-71.4	-93	0	0	0	112.9	I124 C226 V227 V228 G232 I233 N234	I124-N230 HydrophobicContact CB-CB 4.35Å; I124-N230 WeakPolarHBondContact O-CB 3.41Å; C226-N230 WeakPolarHBondContact O-CB 3.07Å; C226-N230 PolarHBondContact O-N 3.18Å; C226-N230 PolarHBondContact O-ND2 3.36Å; V227-N230 CarbonylContact O-C 3.59Å; V227-N230 PolarHBondContact O-N 3.06Å; V227-N230 VanDerWaalsContact O-N 3.13Å; V228-N230 PolarHBondContact O-N 3.39Å; N230-G232 PolarHBondContact O-N 3.04Å; N230-G232 VanDerWaalsContact O-N 3.14Å; N230-I233 PolarHBondContact O-N 2.63Å; N230-N234 VanDerWaalsContact C-ND2 3.35Å; N230-N234 WeakPolarHBondContact CB-ND2 3.45Å; N230-N234 VanDerWaalsContact O-CG 3.3Å; N230-N234 PolarHBondContact O-N 3.14Å; N230-N234 PolarHBondContact O-ND2 2.87Å; N230-N234 VanDerWaalsContact O-ND2 3.16Å
231	S	96.6	Very high	94.3	Very high	39 Å²	39	43.7 Å²	43.7	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-57.2	-28.9	-177.4	53.6	0	0	0	0	114	V227 V228 E229 I233 N234 Q235 M236	V227-S231 PolarHBondContact O-N 3.06Å; V228-S231 WeakPolarHBondContact O-CB 3.48Å; V228-S231 PolarHBondContact O-N 2.87Å; V228-S231 VanDerWaalsContact O-N 3.07Å; V228-S231 PolarHBondContact O-OG 3.48Å; E229-S231 VanDerWaalsContact C-N 3.34Å; S231-I233 PolarHBondContact O-N 3.16Å; S231-N234 WeakPolarHBondContact CA-OD1 3.33Å; S231-Q235 WeakPolarHBondContact O-CA 3.18Å; S231-Q235 PolarHBondContact O-N 3.05Å; S231-M236 WeakPolarHBondContact CB-O 3.47Å
232	G	97.5	Very high	94.7	Very high	66 Å²	66	42.1 Å²	42.1	68%	0.68	23%	0.231	S	C	*	.	H	α-helix	trans	-62.2	-23.6	173	0	0	0	0	0	114.2	N230 Q235	N230-G232 PolarHBondContact O-N 3.04Å; N230-G232 VanDerWaalsContact O-N 3.14Å; G232-Q235 PolarHBondContact O-NE2 3.35Å
233	I	97.7	Very high	95.1	Very high	98 Å²	98	41.9 Å²	41.9	50%	0.503	24%	0.235	S	C	.	.	H	α-helix	trans	-101	-55.2	178.6	-59.1	170.3	0	0	0	110	N230 S231 Q235	N230-I233 PolarHBondContact O-N 2.63Å; S231-I233 PolarHBondContact O-N 3.16Å; I233-Q235 PolarHBondContact O-N 2.76Å
234	N	97.9	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-82.9	-8.5	-173.6	66.5	45.3	0	0	0	114.2	I124 M126 P127 G128 I129 V227 N230 S231 M236	I124-N234 WeakPolarHBondContact O-CB 3.27Å; I124-N234 PolarHBondContact O-ND2 3.34Å; M126-N234 WeakPolarHBondContact O-CB 3.32Å; P127-N234 CarbonylContact C-O 3.58Å; P127-N234 WeakPolarHBondContact CA-O 3.31Å; G128-N234 PolarHBondContact N-O 3.05Å; I129-N234 HydrophobicContact CG2-CB 4.36Å; V227-N234 PolarHBondContact O-ND2 2.91Å; N230-N234 VanDerWaalsContact C-ND2 3.35Å; N230-N234 WeakPolarHBondContact CB-ND2 3.45Å; N230-N234 VanDerWaalsContact O-CG 3.3Å; N230-N234 PolarHBondContact O-N 3.14Å; N230-N234 PolarHBondContact O-ND2 2.87Å; N230-N234 VanDerWaalsContact O-ND2 3.16Å; S231-N234 WeakPolarHBondContact CA-OD1 3.33Å; N234-M236 VanDerWaalsContact C-N 3.27Å; N234-M236 PolarHBondContact O-N 2.94Å; N234-M236 WeakPolarHBondContact OD1-CA 3.29Å; N234-M236 WeakPolarHBondContact OD1-CB 3.31Å; N234-M236 PolarHBondContact OD1-N 3.23Å
235	Q	98.1	Very high	95.6	Very high	113 Å²	113	43.1 Å²	43.1	53%	0.528	24%	0.243	S	C	.	.			trans	62	28.8	178.3	-50	-62.1	-21.1	0	0	114.4	S231 G232 I233	S231-Q235 WeakPolarHBondContact O-CA 3.18Å; S231-Q235 PolarHBondContact O-N 3.05Å; G232-Q235 PolarHBondContact O-NE2 3.35Å; I233-Q235 PolarHBondContact O-N 2.76Å
236	M	97.9	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.			trans	-123.5	94.7	178	-61.3	-62.1	-60.2	0	0	110.4	I129 R131 V227 S231 N234 S240 C244	I129-M236 HydrophobicContact CG2-CG 4.03Å; I129-M236 WeakPolarHBondContact O-CE 3.32Å; I129-M236 WeakPolarHBondContact O-CG 3.15Å; R131-M236 HydrophobicContact CB-CE 3.95Å; R131-M236 HydrophobicContact CB-SD 3.82Å; V227-M236 HydrophobicContact CG1-CB 3.87Å; S231-M236 WeakPolarHBondContact CB-O 3.47Å; N234-M236 VanDerWaalsContact C-N 3.27Å; N234-M236 PolarHBondContact O-N 2.94Å; N234-M236 WeakPolarHBondContact OD1-CA 3.29Å; N234-M236 WeakPolarHBondContact OD1-CB 3.31Å; N234-M236 PolarHBondContact OD1-N 3.23Å; M236-S240 WeakPolarHBondContact CE-O 3.39Å; M236-C244 HydrophobicContact CE-CB 4.47Å
237	D	97.7	Very high	96	Very high	74 Å²	74	42.9 Å²	42.9	40%	0.396	24%	0.244	S	C	.	.			trans	-76.9	177.6	168.8	63.6	6.2	0	0	0	112.1	H239 S240 L241	D237-H239 PolarHBondContact O-N 2.92Å; D237-H239 PolarHBondContact OD1-N 3.32Å; D237-S240 PolarHBondContact O-N 3.19Å; D237-S240 WeakPolarHBondContact OD1-CB 3.3Å; D237-S240 PolarHBondContact OD1-N 3.34Å; D237-S240 PolarHBondContact OD1-OG 3.48Å; D237-L241 VanDerWaalsContact O-CB 3.26Å; D237-L241 WeakPolarHBondContact O-CB 3.48Å; D237-L241 PolarHBondContact O-N 2.87Å
238	S	96.5	Very high	95.9	Very high	16 Å²	16	43.2 Å²	43.2	11%	0.112	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-38.7	-178.4	59.5	0	0	0	0	112.6	S242 E272 N276	S238-S242 VanDerWaalsContact O-CB 3.26Å; S238-S242 WeakPolarHBondContact O-CB 3.3Å; S238-S242 PolarHBondContact O-N 2.77Å; S238-E272 PolarHBondContact OG-OE1 3.02Å; S238-N276 WeakPolarHBondContact CB-ND2 3.41Å; S238-N276 WeakPolarHBondContact CB-OD1 3.4Å; S238-N276 PolarHBondContact OG-ND2 2.93Å; S238-N276 VanDerWaalsContact OG-ND2 3.07Å
239	H	96.6	Very high	95.6	Very high	90 Å²	90	41.8 Å²	41.8	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-70.3	-49	-179.3	-171.9	68.2	0	0	0	111.8	D237 L241 S242 I243 E272	D237-H239 PolarHBondContact O-N 2.92Å; D237-H239 PolarHBondContact OD1-N 3.32Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 3.38Å; H239-S242 PolarHBondContact O-N 3.45Å; H239-S242 PolarHBondContact O-OG 3.08Å; H239-I243 WeakPolarHBondContact O-CG1 3.38Å; H239-I243 PolarHBondContact O-N 3.27Å; H239-I243 VanDerWaalsContact O-N 3.16Å; H239-E272 WeakPolarHBondContact CB-OE1 3.46Å; H239-E272 IonicContact CE1-OE2 3.27Å; H239-E272 IonicContact CG-OE2 2.68Å; H239-E272 PolarHBondContact N-OE1 3.26Å; H239-E272 IonicContact ND1-OE2 2.91Å; H239-E272 PolarHBondContact ND1-OE2 2.97Å
240	S	97.2	Very high	95.4	Very high	32 Å²	32	35.7 Å²	35.7	22%	0.224	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-39.7	178.3	-59.4	0	0	0	0	111.4	M236 D237 C244	M236-S240 WeakPolarHBondContact CE-O 3.39Å; D237-S240 PolarHBondContact O-N 3.19Å; D237-S240 WeakPolarHBondContact OD1-CB 3.3Å; D237-S240 PolarHBondContact OD1-N 3.34Å; D237-S240 PolarHBondContact OD1-OG 3.48Å; S240-C244 PolarHBondContact O-N 3.5Å; S240-C244 PolarHBondContact O-SG 2.92Å
241	L	97.6	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-40.4	177.3	-174	59	0	0	0	111.5	F130 C224 V227 V228 D237 H239 I243 C244 L245 I275	F130-L241 HydrophobicContact CB-CD1 4.04Å; F130-L241 HydrophobicContact CD2-CD1 3.53Å; F130-L241 HydrophobicContact CE2-CD1 4.27Å; F130-L241 HydrophobicContact CG-CD1 3.98Å; C224-L241 HydrophobicContact CB-CD2 3.81Å; V227-L241 HydrophobicContact CB-CD2 4.2Å; V227-L241 HydrophobicContact CG1-CD1 4.43Å; V227-L241 HydrophobicContact CG1-CD2 4.05Å; V228-L241 HydrophobicContact CG2-CD2 4.01Å; D237-L241 VanDerWaalsContact O-CB 3.26Å; D237-L241 WeakPolarHBondContact O-CB 3.48Å; D237-L241 PolarHBondContact O-N 2.87Å; H239-L241 VanDerWaalsContact C-N 3.29Å; H239-L241 PolarHBondContact O-N 3.38Å; L241-I243 PolarHBondContact O-N 3.46Å; L241-C244 PolarHBondContact O-N 3.25Å; L241-L245 HydrophobicContact CD1-CB 4.47Å; L241-L245 WeakPolarHBondContact O-CB 3.38Å; L241-L245 PolarHBondContact O-N 3.24Å; L241-I275 HydrophobicContact CD2-CD1 4.15Å; L241-I275 HydrophobicContact CG-CD1 4.23Å
242	S	95.1	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-39.4	-179.7	79.4	0	0	0	0	112.6	S238 H239 C244 G246 A268	S238-S242 VanDerWaalsContact O-CB 3.26Å; S238-S242 WeakPolarHBondContact O-CB 3.3Å; S238-S242 PolarHBondContact O-N 2.77Å; H239-S242 PolarHBondContact O-N 3.45Å; H239-S242 PolarHBondContact O-OG 3.08Å; S242-C244 VanDerWaalsContact C-N 3.32Å; S242-C244 PolarHBondContact O-N 2.77Å; S242-G246 VanDerWaalsContact O-CA 3.25Å; S242-G246 WeakPolarHBondContact O-CA 3.19Å; S242-G246 PolarHBondContact O-N 2.97Å; S242-A268 VanDerWaalsContact CB-O 3.27Å; S242-A268 WeakPolarHBondContact CB-O 3.43Å; S242-A268 PolarHBondContact OG-O 2.9Å
243	I	95	Very high	92.1	Very high	90 Å²	90	34.4 Å²	34.4	46%	0.462	19%	0.193	S	C	.	.	H	α-helix	trans	-62.7	-40.9	174.6	-67.6	170.1	0	0	0	110.9	H239 L241 P247 A268	H239-I243 WeakPolarHBondContact O-CG1 3.38Å; H239-I243 PolarHBondContact O-N 3.27Å; H239-I243 VanDerWaalsContact O-N 3.16Å; L241-I243 PolarHBondContact O-N 3.46Å; I243-P247 WeakPolarHBondContact O-CD 3.3Å; I243-A268 HydrophobicContact CG1-CB 4.15Å
244	C	96.1	Very high	90.5	Very high	26 Å²	26	34.9 Å²	34.9	18%	0.176	19%	0.191	C	C	.	.	H	α-helix	trans	-79.3	-37.5	-174.9	-64.9	0	0	0	0	113.5	F130 M236 S240 L241 S242	F130-C244 HydrophobicContact CB-CB 4.17Å; M236-C244 HydrophobicContact CE-CB 4.47Å; S240-C244 PolarHBondContact O-N 3.5Å; S240-C244 PolarHBondContact O-SG 2.92Å; L241-C244 PolarHBondContact O-N 3.25Å; S242-C244 VanDerWaalsContact C-N 3.32Å; S242-C244 PolarHBondContact O-N 2.77Å
245	L	94.8	Very high	88.7	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-97.4	-33.2	-173.6	-170.1	64.4	0	0	0	112.5	F130 K167 L170 L220 C224 L241 S248 L249	F130-L245 HydrophobicContact CD1-CD1 4.17Å; F130-L245 HydrophobicContact CE1-CD1 4.2Å; K167-L245 HydrophobicContact CG-CD1 4.05Å; L170-L245 HydrophobicContact CD1-CD1 3.92Å; L220-L245 HydrophobicContact CD1-CD2 4.35Å; C224-L245 WeakPolarHBondContact SG-CD2 3.43Å; L241-L245 HydrophobicContact CD1-CB 4.47Å; L241-L245 WeakPolarHBondContact O-CB 3.38Å; L241-L245 PolarHBondContact O-N 3.24Å; L245-S248 WeakPolarHBondContact O-CA 2.84Å; L245-S248 WeakPolarHBondContact O-CB 3.3Å; L245-S248 PolarHBondContact O-N 3.48Å; L245-L249 PolarHBondContact O-N 3.19Å
246	G	92.9	Very high	86.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-51	-49.9	-177	0	0	0	0	0	113.6	S242 S248 L249 F250 V267 T271	S242-G246 VanDerWaalsContact O-CA 3.25Å; S242-G246 WeakPolarHBondContact O-CA 3.19Å; S242-G246 PolarHBondContact O-N 2.97Å; G246-S248 PolarHBondContact O-N 3.37Å; G246-S248 VanDerWaalsContact O-N 3.14Å; G246-L249 PolarHBondContact O-N 2.94Å; G246-L249 VanDerWaalsContact O-N 3.14Å; G246-F250 WeakPolarHBondContact O-CB 3.45Å; G246-F250 WeakPolarHBondContact O-CD2 3.31Å; G246-F250 PolarHBondContact O-N 2.67Å; G246-V267 WeakPolarHBondContact O-CG1 3.44Å; G246-T271 VanDerWaalsContact CA-OG1 3.28Å; G246-T271 WeakPolarHBondContact CA-OG1 3.23Å
247	P	91.7	Very high	84.5	Confident	49 Å²	49	41.1 Å²	41.1	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-58.1	-31.6	178	-27.4	35.8	0	0	0	113.9	I243 Q251 S252	I243-P247 WeakPolarHBondContact O-CD 3.3Å; P247-Q251 CarbonylContact O-C 3.53Å; P247-Q251 WeakPolarHBondContact O-CA 3.41Å; P247-Q251 PolarHBondContact O-N 2.83Å; P247-S252 WeakPolarHBondContact CA-OG 3.23Å; P247-S252 PolarHBondContact O-N 3.44Å
248	S	93.2	Very high	82.3	Confident	8 Å²	8	45.2 Å²	45.2	6%	0.056	27%	0.265	C	S	.	.	H	α-helix	trans	-78.1	-43.6	177.3	-56	0	0	0	0	111.5	L245 G246 F250 Q251	L245-S248 WeakPolarHBondContact O-CA 2.84Å; L245-S248 WeakPolarHBondContact O-CB 3.3Å; L245-S248 PolarHBondContact O-N 3.48Å; G246-S248 PolarHBondContact O-N 3.37Å; G246-S248 VanDerWaalsContact O-N 3.14Å; S248-F250 PolarHBondContact O-N 3.29Å; S248-Q251 PolarHBondContact O-N 3.26Å
249	L	90.3	Very high	80.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-43.6	180	-170.6	64.1	0	0	0	111.6	L170 S176 I178 L217 L220 M221 L245 G246 T271	L170-L249 HydrophobicContact CD2-CD1 4.28Å; S176-L249 PolarHBondContact OG-O 2.6Å; I178-L249 HydrophobicContact CB-CD1 4.15Å; I178-L249 HydrophobicContact CB-CG 4.04Å; I178-L249 HydrophobicContact CD1-CD2 3.83Å; I178-L249 HydrophobicContact CD1-CG 4.27Å; I178-L249 HydrophobicContact CG2-CD1 4.37Å; I178-L249 HydrophobicContact CG2-CD2 4.36Å; I178-L249 HydrophobicContact CG2-CG 3.77Å; L217-L249 HydrophobicContact CD2-CD1 3.9Å; L220-L249 HydrophobicContact CD2-CD1 3.6Å; M221-L249 HydrophobicContact CE-CD2 4.26Å; L245-L249 PolarHBondContact O-N 3.19Å; G246-L249 PolarHBondContact O-N 2.94Å; G246-L249 VanDerWaalsContact O-N 3.14Å; L249-T271 HydrophobicContact CD2-CG2 4.15Å
250	F	88.6	Confident	79.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.7	177.9	-73.9	-96.8	0	0	0	113.1	I178 C179 Q183 W186 L187 G246 S248 S252 V267 T270 T271 I274	I178-F250 HydrophobicContact CG2-CD1 4.32Å; I178-F250 HydrophobicContact CG2-CD2 4.29Å; I178-F250 HydrophobicContact CG2-CE1 4.1Å; I178-F250 HydrophobicContact CG2-CE2 4.05Å; I178-F250 HydrophobicContact CG2-CG 4.4Å; I178-F250 HydrophobicContact CG2-CZ 3.93Å; C179-F250 WeakPolarHBondContact SG-CD1 3.22Å; C179-F250 WeakPolarHBondContact SG-CE1 3.28Å; Q183-F250 PolarHBondContact NE2-O 2.83Å; W186-F250 HydrophobicContact CB-CE1 3.85Å; W186-F250 HydrophobicContact CE3-CZ 4.42Å; W186-F250 HydrophobicContact CG-CE1 4.39Å; L187-F250 HydrophobicContact CD2-CD1 4.16Å; L187-F250 HydrophobicContact CD2-CE1 4.36Å; G246-F250 WeakPolarHBondContact O-CB 3.45Å; G246-F250 WeakPolarHBondContact O-CD2 3.31Å; G246-F250 PolarHBondContact O-N 2.67Å; S248-F250 PolarHBondContact O-N 3.29Å; F250-S252 PolarHBondContact O-N 3.46Å; F250-V267 HydrophobicContact CB-CG1 4.03Å; F250-V267 HydrophobicContact CB-CG2 4.01Å; F250-V267 HydrophobicContact CD1-CG2 4.4Å; F250-V267 HydrophobicContact CD2-CG1 3.78Å; F250-V267 HydrophobicContact CG-CG1 4Å; F250-V267 HydrophobicContact CG-CG2 4.08Å; F250-T270 HydrophobicContact CE1-CG2 4.19Å; F250-T270 HydrophobicContact CE2-CG2 4.46Å; F250-T270 HydrophobicContact CZ-CG2 3.57Å; F250-T271 WeakPolarHBondContact CE2-OG1 3.33Å; F250-I274 HydrophobicContact CZ-CD1 4.48Å
251	Q	86.6	Confident	78.3	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.047	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	37.9	-172.3	-51.4	-176.2	-3.5	0	0	113	L170 L173 E175 P247 S248 S253 K254	L170-Q251 PolarHBondContact O-NE2 2.94Å; L173-Q251 PolarHBondContact O-NE2 3.44Å; L173-Q251 PolarHBondContact O-OE1 3.1Å; E175-Q251 PolarHBondContact O-NE2 3.29Å; P247-Q251 CarbonylContact O-C 3.53Å; P247-Q251 WeakPolarHBondContact O-CA 3.41Å; P247-Q251 PolarHBondContact O-N 2.83Å; S248-Q251 PolarHBondContact O-N 3.26Å; Q251-S253 PolarHBondContact O-N 3.46Å; Q251-K254 HydrophobicContact CB-CD 4.25Å; Q251-K254 WeakPolarHBondContact O-CB 3.42Å; Q251-K254 PolarHBondContact O-N 3.2Å
252	S	70.4	Confident	77.2	Confident	23 Å²	23	58.3 Å²	58.3	16%	0.161	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-63.6	-19.7	-170.5	63.8	0	0	0	0	113.8	P247 F250 K254 L255	P247-S252 WeakPolarHBondContact CA-OG 3.23Å; P247-S252 PolarHBondContact O-N 3.44Å; F250-S252 PolarHBondContact O-N 3.46Å; S252-K254 PolarHBondContact O-N 3.13Å; S252-L255 WeakPolarHBondContact O-CB 3.38Å; S252-L255 PolarHBondContact O-N 2.88Å
253	S	62.9	Low	76.5	Confident	92 Å²	92	59.8 Å²	59.8	64%	0.643	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.6	-14.1	172.4	60.7	0	0	0	0	114.2	Q251 L255	Q251-S253 PolarHBondContact O-N 3.46Å; S253-L255 VanDerWaalsContact C-N 3.35Å
254	K	64.4	Low	76	Confident	107 Å²	107	57.8 Å²	57.8	47%	0.465	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-86.7	-7.7	174.1	-63.9	-177.7	-177.7	172.6	0	112.6	L173 Q251 S252 V256	L173-K254 PolarHBondContact O-NZ 3.03Å; Q251-K254 HydrophobicContact CB-CD 4.25Å; Q251-K254 WeakPolarHBondContact O-CB 3.42Å; Q251-K254 PolarHBondContact O-N 3.2Å; S252-K254 PolarHBondContact O-N 3.13Å; K254-V256 PolarHBondContact O-N 3.06Å
255	L	58.7	Low	75.4	Confident	46 Å²	46	64.9 Å²	64.9	24%	0.241	36%	0.362	C	S	.	.			trans	-90	96.8	-175.4	-63.6	162.8	0	0	0	108.8	Q183 S252 S253 S257 Q263	Q183-L255 VanDerWaalsContact NE2-CD1 3.32Å; S252-L255 WeakPolarHBondContact O-CB 3.38Å; S252-L255 PolarHBondContact O-N 2.88Å; S253-L255 VanDerWaalsContact C-N 3.35Å; L255-S257 PolarHBondContact O-N 3.1Å; L255-Q263 HydrophobicContact CD1-CG 4.3Å
256	V	53.8	Low	75.1	Confident	147 Å²	147	67.4 Å²	67.4	89%	0.891	37%	0.373	S	S	*	.			trans	-75.5	90.4	173.7	-173.8	0	0	0	0	107.5	K254	K254-V256 PolarHBondContact O-N 3.06Å
257	S	55.5	Low	74.9	Confident	52 Å²	52	67.5 Å²	67.5	36%	0.364	37%	0.374	S	S	.	.			trans	-146.4	144.9	168.7	75.8	0	0	0	0	111.9	L255 A259 E260 Q263	L255-S257 PolarHBondContact O-N 3.1Å; S257-A259 PolarHBondContact O-N 3.27Å; S257-E260 VanDerWaalsContact O-CG 3.29Å; S257-E260 WeakPolarHBondContact O-CG 3.1Å; S257-E260 PolarHBondContact O-N 3.05Å; S257-Q263 PolarHBondContact OG-OE1 2.77Å
258	T	51	Low	74.8	Confident	160 Å²	160	65.8 Å²	65.8	98%	0.982	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	4.1	-177.7	45.8	0	0	0	0	115
259	A	62.1	Low	74.6	Confident	46 Å²	46	69.9 Å²	69.9	38%	0.38	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	41	-179.5	0	0	0	0	0	111.9	S257 D261 L262 Q263	S257-A259 PolarHBondContact O-N 3.27Å; A259-D261 PolarHBondContact O-N 3.26Å; A259-L262 HydrophobicContact CB-CB 4.44Å; A259-L262 PolarHBondContact O-N 3.05Å; A259-L262 VanDerWaalsContact O-N 3.17Å; A259-Q263 PolarHBondContact O-N 2.93Å
260	E	70	Confident	74.5	Confident	141 Å²	141	69.9 Å²	69.9	66%	0.659	38%	0.382	S	S	*	.	H	α-helix	trans	-50.9	-42.5	-176.2	-62	-171.5	154.1	0	0	112.4	S257 Q263 A264	S257-E260 VanDerWaalsContact O-CG 3.29Å; S257-E260 WeakPolarHBondContact O-CG 3.1Å; S257-E260 PolarHBondContact O-N 3.05Å; E260-Q263 PolarHBondContact O-N 3.38Å; E260-A264 WeakPolarHBondContact O-CB 2.89Å; E260-A264 PolarHBondContact O-N 3.42Å
261	D	72.9	Confident	74.5	Confident	128 Å²	128	69.9 Å²	69.9	68%	0.684	38%	0.382	S	S	*	.	H	α-helix	trans	-65.9	-45	-179.3	-74	-20	0	0	0	113.3	A259 Q263 A264 R265	A259-D261 PolarHBondContact O-N 3.26Å; D261-Q263 VanDerWaalsContact C-N 3.27Å; D261-Q263 PolarHBondContact O-N 2.9Å; D261-A264 PolarHBondContact O-N 2.77Å; D261-R265 WeakPolarHBondContact O-CG 3.27Å; D261-R265 PolarHBondContact O-N 3.23Å
262	L	74.9	Confident	74.8	Confident	98 Å²	98	71.5 Å²	71.5	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-65.1	-38.9	178.7	180	61.7	0	0	0	110.2	A259 R265 K266	A259-L262 HydrophobicContact CB-CB 4.44Å; A259-L262 PolarHBondContact O-N 3.05Å; A259-L262 VanDerWaalsContact O-N 3.17Å; L262-R265 PolarHBondContact O-N 3.35Å; L262-K266 WeakPolarHBondContact O-CG 3.44Å; L262-K266 PolarHBondContact O-N 3.08Å
263	Q	80.2	Confident	75.6	Confident	31 Å²	31	71.8 Å²	71.8	15%	0.145	39%	0.388	C	S	.	.	H	α-helix	trans	-67.8	-42.9	177.5	-169.7	160.2	40.4	0	0	111.7	L187 L255 S257 A259 E260 D261 R265 K266 V267	L187-Q263 HydrophobicContact CD1-CG 4.08Å; L255-Q263 HydrophobicContact CD1-CG 4.3Å; S257-Q263 PolarHBondContact OG-OE1 2.77Å; A259-Q263 PolarHBondContact O-N 2.93Å; E260-Q263 PolarHBondContact O-N 3.38Å; D261-Q263 VanDerWaalsContact C-N 3.27Å; D261-Q263 PolarHBondContact O-N 2.9Å; Q263-R265 VanDerWaalsContact C-N 3.32Å; Q263-R265 PolarHBondContact O-N 2.85Å; Q263-K266 PolarHBondContact O-N 2.98Å; Q263-V267 WeakPolarHBondContact O-CB 3.33Å; Q263-V267 VanDerWaalsContact O-CG2 3.27Å; Q263-V267 WeakPolarHBondContact O-CG2 3.33Å; Q263-V267 PolarHBondContact O-N 2.93Å
264	A	84.3	Confident	76.8	Confident	47 Å²	47	68.1 Å²	68.1	39%	0.388	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-42.8	175.2	0	0	0	0	0	111.7	E260 D261 V267 A268	E260-A264 WeakPolarHBondContact O-CB 2.89Å; E260-A264 PolarHBondContact O-N 3.42Å; D261-A264 PolarHBondContact O-N 2.77Å; A264-V267 PolarHBondContact O-N 2.78Å; A264-A268 PolarHBondContact O-N 3.05Å
265	R	84.9	Confident	77.8	Confident	175 Å²	175	63.5 Å²	63.5	66%	0.66	34%	0.341	S	S	*	.	H	α-helix	trans	-61.2	-49.3	174.4	-73.3	179.5	-176.2	175.9	3	112.1	D261 L262 Q263 V267 A268 E269	D261-R265 WeakPolarHBondContact O-CG 3.27Å; D261-R265 PolarHBondContact O-N 3.23Å; L262-R265 PolarHBondContact O-N 3.35Å; Q263-R265 VanDerWaalsContact C-N 3.32Å; Q263-R265 PolarHBondContact O-N 2.85Å; R265-V267 VanDerWaalsContact C-N 3.28Å; R265-V267 PolarHBondContact O-N 3.45Å; R265-A268 PolarHBondContact O-N 2.97Å; R265-E269 WeakPolarHBondContact O-CB 3.39Å; R265-E269 WeakPolarHBondContact O-CG 3.5Å; R265-E269 PolarHBondContact O-N 3.16Å
266	K	87.2	Confident	79.2	Confident	55 Å²	55	64.7 Å²	64.7	24%	0.239	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-38.8	177.2	-73.5	-178.8	176.7	-171.6	0	112.3	L187 C190 L262 Q263 T270	L187-K266 HydrophobicContact CD2-CB 4.28Å; C190-K266 HydrophobicContact CB-CG 4.35Å; C190-K266 PolarHBondContact SG-O 3.14Å; C190-K266 VanDerWaalsContact SG-O 3.34Å; L262-K266 WeakPolarHBondContact O-CG 3.44Å; L262-K266 PolarHBondContact O-N 3.08Å; Q263-K266 PolarHBondContact O-N 2.98Å; K266-T270 VanDerWaalsContact O-CB 3.25Å; K266-T270 WeakPolarHBondContact O-CB 3.32Å; K266-T270 PolarHBondContact O-N 3.39Å; K266-T270 PolarHBondContact O-OG1 2.78Å
267	V	88.9	Confident	80.5	Confident	1 Å²	1	62 Å²	62	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-49.1	176.1	165.2	0	0	0	0	110.8	L187 G246 F250 Q263 A264 R265 T270 T271	L187-V267 HydrophobicContact CD2-CG2 3.59Å; G246-V267 WeakPolarHBondContact O-CG1 3.44Å; F250-V267 HydrophobicContact CB-CG1 4.03Å; F250-V267 HydrophobicContact CB-CG2 4.01Å; F250-V267 HydrophobicContact CD1-CG2 4.4Å; F250-V267 HydrophobicContact CD2-CG1 3.78Å; F250-V267 HydrophobicContact CG-CG1 4Å; F250-V267 HydrophobicContact CG-CG2 4.08Å; Q263-V267 WeakPolarHBondContact O-CB 3.33Å; Q263-V267 VanDerWaalsContact O-CG2 3.27Å; Q263-V267 WeakPolarHBondContact O-CG2 3.33Å; Q263-V267 PolarHBondContact O-N 2.93Å; A264-V267 PolarHBondContact O-N 2.78Å; R265-V267 VanDerWaalsContact C-N 3.28Å; R265-V267 PolarHBondContact O-N 3.45Å; V267-T270 PolarHBondContact O-N 2.98Å; V267-T271 VanDerWaalsContact O-CB 3.29Å; V267-T271 WeakPolarHBondContact O-CB 3.37Å; V267-T271 PolarHBondContact O-N 2.84Å; V267-T271 PolarHBondContact O-OG1 3Å
268	A	89.6	Confident	81.7	Confident	13 Å²	13	62.5 Å²	62.5	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-48	178.7	0	0	0	0	0	111.4	S242 I243 A264 R265 T270 T271 E272	S242-A268 VanDerWaalsContact CB-O 3.27Å; S242-A268 WeakPolarHBondContact CB-O 3.43Å; S242-A268 PolarHBondContact OG-O 2.9Å; I243-A268 HydrophobicContact CG1-CB 4.15Å; A264-A268 PolarHBondContact O-N 3.05Å; R265-A268 PolarHBondContact O-N 2.97Å; A268-T270 PolarHBondContact O-N 3.49Å; A268-T271 PolarHBondContact O-N 3.27Å; A268-E272 VanDerWaalsContact O-CB 3.31Å; A268-E272 WeakPolarHBondContact O-CB 3.4Å; A268-E272 PolarHBondContact O-N 2.84Å
269	E	89	Confident	83.4	Confident	95 Å²	95	57.3 Å²	57.3	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-40.1	178.1	-75.5	175.6	-174.2	0	0	112.9	C190 R198 R265 F273	C190-E269 WeakPolarHBondContact CB-OE2 3.39Å; C190-E269 WeakPolarHBondContact SG-CB 3.41Å; C190-E269 PolarHBondContact SG-OE2 2.77Å; C190-E269 VanDerWaalsContact SG-OE2 3.34Å; R198-E269 PolarHBondContact NH2-O 3.43Å; R265-E269 WeakPolarHBondContact O-CB 3.39Å; R265-E269 WeakPolarHBondContact O-CG 3.5Å; R265-E269 PolarHBondContact O-N 3.16Å; E269-F273 WeakPolarHBondContact O-CB 3.42Å; E269-F273 PolarHBondContact O-N 3.31Å
270	T	88.1	Confident	84.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-46.2	176.5	-60.4	0	0	0	0	110.3	W186 I189 C190 F250 K266 V267 A268 E272 F273 I274	W186-T270 HydrophobicContact CE3-CG2 4.12Å; I189-T270 HydrophobicContact CD1-CG2 4.42Å; C190-T270 PolarHBondContact SG-N 3.37Å; C190-T270 PolarHBondContact SG-OG1 2.94Å; F250-T270 HydrophobicContact CE1-CG2 4.19Å; F250-T270 HydrophobicContact CE2-CG2 4.46Å; F250-T270 HydrophobicContact CZ-CG2 3.57Å; K266-T270 VanDerWaalsContact O-CB 3.25Å; K266-T270 WeakPolarHBondContact O-CB 3.32Å; K266-T270 PolarHBondContact O-N 3.39Å; K266-T270 PolarHBondContact O-OG1 2.78Å; V267-T270 PolarHBondContact O-N 2.98Å; A268-T270 PolarHBondContact O-N 3.49Å; T270-E272 PolarHBondContact O-N 3.46Å; T270-F273 PolarHBondContact O-N 3.06Å; T270-I274 HydrophobicContact CG2-CD1 3.83Å; T270-I274 VanDerWaalsContact O-CD1 3.31Å; T270-I274 WeakPolarHBondContact O-CD1 3.46Å; T270-I274 WeakPolarHBondContact O-CG1 3.38Å; T270-I274 PolarHBondContact O-N 2.96Å; T270-I274 VanDerWaalsContact O-N 3.07Å
271	T	90.1	Very high	85.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-44.8	178.6	-55.1	0	0	0	0	111	G246 L249 F250 V267 A268 F273 I274 I275	G246-T271 VanDerWaalsContact CA-OG1 3.28Å; G246-T271 WeakPolarHBondContact CA-OG1 3.23Å; L249-T271 HydrophobicContact CD2-CG2 4.15Å; F250-T271 WeakPolarHBondContact CE2-OG1 3.33Å; V267-T271 VanDerWaalsContact O-CB 3.29Å; V267-T271 WeakPolarHBondContact O-CB 3.37Å; V267-T271 PolarHBondContact O-N 2.84Å; V267-T271 PolarHBondContact O-OG1 3Å; A268-T271 PolarHBondContact O-N 3.27Å; T271-F273 VanDerWaalsContact C-N 3.35Å; T271-F273 PolarHBondContact O-N 2.84Å; T271-I274 PolarHBondContact O-N 3.28Å; T271-I275 HydrophobicContact CG2-CD1 3.88Å; T271-I275 VanDerWaalsContact O-CG1 3.32Å; T271-I275 WeakPolarHBondContact O-CG1 3.24Å; T271-I275 PolarHBondContact O-N 3.18Å
272	E	92	Very high	86.2	Confident	44 Å²	44	48.4 Å²	48.4	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-41.3	177.3	179.8	165.2	-160.8	0	0	112	S238 H239 A268 T270 I274 I275 N276	S238-E272 PolarHBondContact OG-OE1 3.02Å; H239-E272 WeakPolarHBondContact CB-OE1 3.46Å; H239-E272 IonicContact CE1-OE2 3.27Å; H239-E272 IonicContact CG-OE2 2.68Å; H239-E272 PolarHBondContact N-OE1 3.26Å; H239-E272 IonicContact ND1-OE2 2.91Å; H239-E272 PolarHBondContact ND1-OE2 2.97Å; A268-E272 VanDerWaalsContact O-CB 3.31Å; A268-E272 WeakPolarHBondContact O-CB 3.4Å; A268-E272 PolarHBondContact O-N 2.84Å; T270-E272 PolarHBondContact O-N 3.46Å; E272-I274 VanDerWaalsContact C-N 3.31Å; E272-I274 PolarHBondContact O-N 3.5Å; E272-I275 PolarHBondContact O-N 3.32Å; E272-N276 WeakPolarHBondContact CG-ND2 3.49Å; E272-N276 WeakPolarHBondContact O-CB 3.23Å; E272-N276 PolarHBondContact O-N 3.08Å; E272-N276 PolarHBondContact O-ND2 2.98Å
273	F	88.2	Confident	86.9	Confident	29 Å²	29	45.1 Å²	45.1	13%	0.127	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-42.4	176.1	177.8	-96.4	0	0	0	111.7	R198 L199 V202 E269 T270 T271 N276 K277	R198-F273 HydrophobicContact CB-CE1 4.3Å; R198-F273 HydrophobicContact CB-CE2 4.24Å; R198-F273 HydrophobicContact CB-CZ 3.75Å; R198-F273 HydrophobicContact CG-CD1 4.23Å; R198-F273 HydrophobicContact CG-CD2 4.46Å; R198-F273 HydrophobicContact CG-CE1 3.72Å; R198-F273 HydrophobicContact CG-CE2 3.98Å; R198-F273 HydrophobicContact CG-CZ 3.57Å; R198-F273 VanDerWaalsContact NE-CG 3.26Å; R198-F273 VanDerWaalsContact NH2-CB 3.35Å; L199-F273 HydrophobicContact CB-CZ 4.36Å; V202-F273 HydrophobicContact CG2-CD1 4.03Å; V202-F273 HydrophobicContact CG2-CE1 3.77Å; E269-F273 WeakPolarHBondContact O-CB 3.42Å; E269-F273 PolarHBondContact O-N 3.31Å; T270-F273 PolarHBondContact O-N 3.06Å; T271-F273 VanDerWaalsContact C-N 3.35Å; T271-F273 PolarHBondContact O-N 2.84Å; F273-N276 PolarHBondContact O-N 3.38Å; F273-K277 HydrophobicContact CD1-CG 4.32Å; F273-K277 HydrophobicContact CD2-CG 4.11Å; F273-K277 HydrophobicContact CE1-CG 3.96Å; F273-K277 HydrophobicContact CE2-CD 4.38Å; F273-K277 HydrophobicContact CE2-CG 3.75Å; F273-K277 HydrophobicContact CG-CG 4.4Å; F273-K277 HydrophobicContact CZ-CD 4.49Å; F273-K277 HydrophobicContact CZ-CG 3.67Å; F273-K277 WeakPolarHBondContact O-CB 3.42Å; F273-K277 VanDerWaalsContact O-CG 3.28Å; F273-K277 WeakPolarHBondContact O-CG 3.41Å; F273-K277 PolarHBondContact O-N 2.77Å; F273-K277 VanDerWaalsContact O-N 3.07Å
274	I	86.4	Confident	87.4	Confident	14 Å²	14	46.1 Å²	46.1	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-42.2	-180	-62.4	158.1	0	0	0	110.7	I178 W186 V202 M221 F250 T270 T271 E272 N276 K277	I178-I274 HydrophobicContact CD1-CD1 3.61Å; W186-I274 HydrophobicContact CE3-CD1 4.04Å; W186-I274 HydrophobicContact CH2-CD1 4.35Å; W186-I274 HydrophobicContact CZ3-CD1 3.45Å; W186-I274 VanDerWaalsContact CZ3-CD1 3.45Å; W186-I274 HydrophobicContact CZ3-CG1 4.18Å; V202-I274 HydrophobicContact CG1-CG1 4.43Å; M221-I274 HydrophobicContact CG-CG2 4.43Å; M221-I274 HydrophobicContact SD-CG2 3.66Å; F250-I274 HydrophobicContact CZ-CD1 4.48Å; T270-I274 HydrophobicContact CG2-CD1 3.83Å; T270-I274 VanDerWaalsContact O-CD1 3.31Å; T270-I274 WeakPolarHBondContact O-CD1 3.46Å; T270-I274 WeakPolarHBondContact O-CG1 3.38Å; T270-I274 PolarHBondContact O-N 2.96Å; T270-I274 VanDerWaalsContact O-N 3.07Å; T271-I274 PolarHBondContact O-N 3.28Å; E272-I274 VanDerWaalsContact C-N 3.31Å; E272-I274 PolarHBondContact O-N 3.5Å; I274-N276 VanDerWaalsContact C-N 3.25Å; I274-N276 PolarHBondContact O-N 3.07Å; I274-K277 PolarHBondContact O-N 3.28Å
275	I	86.9	Confident	87.7	Confident	11 Å²	11	46 Å²	46	6%	0.056	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-34.8	177.4	-68.4	167.5	0	0	0	111.5	C224 V228 L241 T271 E272	C224-I275 HydrophobicContact CB-CD1 4.26Å; C224-I275 HydrophobicContact CB-CG1 4Å; C224-I275 HydrophobicContact CB-CG2 4.33Å; V228-I275 HydrophobicContact CG2-CG2 3.87Å; L241-I275 HydrophobicContact CD2-CD1 4.15Å; L241-I275 HydrophobicContact CG-CD1 4.23Å; T271-I275 HydrophobicContact CG2-CD1 3.88Å; T271-I275 VanDerWaalsContact O-CG1 3.32Å; T271-I275 WeakPolarHBondContact O-CG1 3.24Å; T271-I275 PolarHBondContact O-N 3.18Å; E272-I275 PolarHBondContact O-N 3.32Å
276	N	86.8	Confident	87.9	Confident	70 Å²	70	35.3 Å²	35.3	37%	0.374	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.3	-177.5	-77.7	-42.4	0	0	0	114.8	S238 E272 F273 I274	S238-N276 WeakPolarHBondContact CB-ND2 3.41Å; S238-N276 WeakPolarHBondContact CB-OD1 3.4Å; S238-N276 PolarHBondContact OG-ND2 2.93Å; S238-N276 VanDerWaalsContact OG-ND2 3.07Å; E272-N276 WeakPolarHBondContact CG-ND2 3.49Å; E272-N276 WeakPolarHBondContact O-CB 3.23Å; E272-N276 PolarHBondContact O-N 3.08Å; E272-N276 PolarHBondContact O-ND2 2.98Å; F273-N276 PolarHBondContact O-N 3.38Å; I274-N276 VanDerWaalsContact C-N 3.25Å; I274-N276 PolarHBondContact O-N 3.07Å
277	K	81.7	Confident	87.9	Confident	90 Å²	90	33.5 Å²	33.5	39%	0.391	16%	0.163	S	C	.	.			trans	-111.2	0	176.6	-66.5	-57.6	178.5	-168.7	0	108	I15 L199 F273 I274	I15-K277 WeakPolarHBondContact CB-O 3.41Å; I15-K277 VanDerWaalsContact CD1-C 3.46Å; I15-K277 HydrophobicContact CD1-CB 4.35Å; I15-K277 WeakPolarHBondContact CD1-O 3.38Å; I15-K277 WeakPolarHBondContact CG1-O 3.35Å; I15-K277 WeakPolarHBondContact CG2-O 3.4Å; L199-K277 HydrophobicContact CD1-CB 4.08Å; F273-K277 HydrophobicContact CD1-CG 4.32Å; F273-K277 HydrophobicContact CD2-CG 4.11Å; F273-K277 HydrophobicContact CE1-CG 3.96Å; F273-K277 HydrophobicContact CE2-CD 4.38Å; F273-K277 HydrophobicContact CE2-CG 3.75Å; F273-K277 HydrophobicContact CG-CG 4.4Å; F273-K277 HydrophobicContact CZ-CD 4.49Å; F273-K277 HydrophobicContact CZ-CG 3.67Å; F273-K277 WeakPolarHBondContact O-CB 3.42Å; F273-K277 VanDerWaalsContact O-CG 3.28Å; F273-K277 WeakPolarHBondContact O-CG 3.41Å; F273-K277 PolarHBondContact O-N 2.77Å; F273-K277 VanDerWaalsContact O-N 3.07Å; I274-K277 PolarHBondContact O-N 3.28Å

Retrieved 277 of 277 residues in 111.7 ms (Link to these results)

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