A0A077ZC21_TRITR Loading...

Peptidase M14 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC21, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 373 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31.9	Very low	28	Very low	255 Å²	255	178.8 Å²	178.8	100%	1.256	89%	0.888	S	S	*	*				0	103.1	0	-74.4	166.3	89.3	0	0	107
2	S	27.5	Very low	28.7	Very low	108 Å²	108	179.2 Å²	179.2	76%	0.755	89%	0.885	S	S	*	*			trans	-124.8	150.8	-167.8	174.3	0	0	0	0	108.8
3	L	25.7	Very low	29.2	Very low	158 Å²	158	177.5 Å²	177.5	83%	0.827	87%	0.87	S	S	*	*			trans	81.5	80.8	-175	-70.2	108.5	0	0	0	117
4	T	27.3	Very low	29.3	Very low	148 Å²	148	168.7 Å²	168.7	91%	0.908	84%	0.835	S	S	*	*			trans	-142.2	74	145.4	-33.9	0	0	0	0	108
5	L	25.7	Very low	29.9	Very low	162 Å²	162	164.1 Å²	164.1	85%	0.848	83%	0.825	S	S	*	*			trans	-149.7	76.1	-178.1	-122.8	150.8	0	0	0	108.9
6	L	27.8	Very low	30.6	Very low	174 Å²	174	161.6 Å²	161.6	91%	0.911	81%	0.814	S	S	*	*	S	Bend	trans	-169.6	43.7	160.6	-107.4	148.8	0	0	0	113.7
7	L	27.8	Very low	31	Very low	168 Å²	168	156.6 Å²	156.6	88%	0.88	79%	0.789	S	S	*	*	S	Bend	trans	-128.5	14.1	170.4	-85.3	172.3	0	0	0	115.2
8	Y	26.8	Very low	31.7	Very low	229 Å²	229	152.7 Å²	152.7	90%	0.898	77%	0.774	S	S	*	*	S	Bend	trans	-115.3	21.5	-175	-126.7	-91.3	0	0	0	116.8
9	R	29	Very low	32.1	Very low	237 Å²	237	152.8 Å²	152.8	89%	0.894	77%	0.771	S	S	*	*	S	Bend	trans	-136.5	18.1	173	-82.6	-165.1	171.8	-159.9	-1.1	116.1
10	W	30.2	Very low	32.2	Very low	221 Å²	221	154.1 Å²	154.1	84%	0.837	77%	0.767	S	S	*	*	S	Bend	trans	-106.1	6.7	-175.1	-114.1	65.5	0	0	0	116	S14	W10-S14 PolarHBondContact O-OG 3.03Å
11	S	28.7	Very low	32.5	Very low	107 Å²	107	153 Å²	153	75%	0.748	76%	0.758	S	S	*	*	S	Bend	trans	-103.7	4.7	-178	60	0	0	0	0	115.6
12	Q	36.3	Very low	32.9	Very low	183 Å²	183	145 Å²	145	86%	0.855	72%	0.723	S	S	*	*	S	Bend	trans	-120.7	3.6	176	-71.7	-161.5	-2.2	0	0	115.3
13	F	35.3	Very low	33.5	Very low	158 Å²	158	148 Å²	148	69%	0.693	72%	0.722	S	S	*	*	S	Bend	trans	-121.3	1.3	178.7	-97.8	-83.8	0	0	0	114.6	I17	F13-I17 HydrophobicContact CD1-CD1 3.7Å; F13-I17 HydrophobicContact CE1-CD1 4.45Å
14	S	29.9	Very low	34.1	Very low	54 Å²	54	145.2 Å²	145.2	38%	0.378	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98	-4.1	-164	52.9	0	0	0	0	116.6	W10 V18	W10-S14 PolarHBondContact O-OG 3.03Å; S14-V18 VanDerWaalsContact O-CG2 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.46Å
15	S	37.9	Very low	34.5	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-21.5	-178.4	54.1	0	0	0	0	115.2
16	I	41.9	Very low	35.2	Very low	125 Å²	125	136.7 Å²	136.7	64%	0.641	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-32.1	179.1	-64.5	173.4	0	0	0	112	W20	I16-W20 PolarHBondContact O-N 3.34Å
17	I	38.2	Very low	35.7	Very low	77 Å²	77	135.2 Å²	135.2	40%	0.395	64%	0.643	S	S	.	*	H	α-helix	trans	-75	-31.7	-177.4	-66.9	-178.2	0	0	0	112.7	F13 K21	F13-I17 HydrophobicContact CD1-CD1 3.7Å; F13-I17 HydrophobicContact CE1-CD1 4.45Å; I17-K21 HydrophobicContact CG2-CD 3.96Å; I17-K21 HydrophobicContact CG2-CG 4.13Å; I17-K21 VanDerWaalsContact O-CB 3.29Å; I17-K21 WeakPolarHBondContact O-CB 3.49Å; I17-K21 PolarHBondContact O-N 3.05Å
18	V	42.2	Very low	36.2	Very low	86 Å²	86	130.2 Å²	130.2	52%	0.521	62%	0.615	S	S	.	*	H	α-helix	trans	-72.3	-40.3	-175.2	177.8	0	0	0	0	111.5	S14 V22	S14-V18 VanDerWaalsContact O-CG2 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.46Å; V18-V22 WeakPolarHBondContact O-CB 3.18Å; V18-V22 VanDerWaalsContact O-CG2 3.23Å; V18-V22 WeakPolarHBondContact O-CG2 3.42Å; V18-V22 PolarHBondContact O-N 3.41Å
19	Q	39	Very low	36.8	Very low	154 Å²	154	122.5 Å²	122.5	72%	0.72	59%	0.589	S	S	*	*	H	α-helix	trans	-70.4	-38.7	176.2	-105.4	-176.8	-5.8	0	0	112.7	K23	Q19-K23 PolarHBondContact O-N 3.15Å; Q19-K23 VanDerWaalsContact O-N 3.11Å
20	W	34.3	Very low	37.5	Very low	178 Å²	178	115.7 Å²	115.7	67%	0.674	57%	0.571	S	S	*	*	H	α-helix	trans	-67.4	-46.6	175.3	-94.1	79	0	0	0	111.8	I16 V22 K23 H24	I16-W20 PolarHBondContact O-N 3.34Å; W20-V22 PolarHBondContact O-N 3.29Å; W20-K23 PolarHBondContact O-N 3.26Å; W20-H24 AromaticContact CE3-CD2 3.95Å; W20-H24 VanDerWaalsContact O-CB 3.3Å; W20-H24 WeakPolarHBondContact O-CB 3.48Å; W20-H24 PolarHBondContact O-N 3.36Å
21	K	38.6	Very low	38.1	Very low	133 Å²	133	107.8 Å²	107.8	58%	0.578	54%	0.542	S	S	*	.	H	α-helix	trans	-61.5	-43.5	177.1	-87.5	-171.9	173.5	-175.6	0	112.2	I17 H24 L25	I17-K21 HydrophobicContact CG2-CD 3.96Å; I17-K21 HydrophobicContact CG2-CG 4.13Å; I17-K21 VanDerWaalsContact O-CB 3.29Å; I17-K21 WeakPolarHBondContact O-CB 3.49Å; I17-K21 PolarHBondContact O-N 3.05Å; K21-H24 PolarHBondContact O-N 3.24Å; K21-L25 HydrophobicContact CB-CD1 4.36Å; K21-L25 VanDerWaalsContact O-CB 3.24Å; K21-L25 WeakPolarHBondContact O-CB 3.38Å; K21-L25 WeakPolarHBondContact O-CD1 3.5Å; K21-L25 PolarHBondContact O-N 3.05Å
22	V	41.2	Very low	38.4	Very low	87 Å²	87	104 Å²	104	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-67.4	-43.9	-179.3	174.8	0	0	0	0	111	V18 W20 L25 T26	V18-V22 WeakPolarHBondContact O-CB 3.18Å; V18-V22 VanDerWaalsContact O-CG2 3.23Å; V18-V22 WeakPolarHBondContact O-CG2 3.42Å; V18-V22 PolarHBondContact O-N 3.41Å; W20-V22 PolarHBondContact O-N 3.29Å; V22-L25 PolarHBondContact O-N 3.26Å; V22-T26 WeakPolarHBondContact O-CB 3.44Å; V22-T26 PolarHBondContact O-N 3.33Å; V22-T26 PolarHBondContact O-OG1 3.09Å
23	K	39.6	Very low	38.8	Very low	171 Å²	171	99.9 Å²	99.9	74%	0.743	49%	0.491	S	S	*	.	H	α-helix	trans	-65.2	-40.1	174.1	-86.8	-173.8	174.5	-178	0	112.9	Q19 W20 F27	Q19-K23 PolarHBondContact O-N 3.15Å; Q19-K23 VanDerWaalsContact O-N 3.11Å; W20-K23 PolarHBondContact O-N 3.26Å; K23-F27 VanDerWaalsContact O-CB 3.25Å; K23-F27 WeakPolarHBondContact O-CB 3.4Å; K23-F27 PolarHBondContact O-N 2.87Å
24	H	38.7	Very low	39.2	Very low	98 Å²	98	98.5 Å²	98.5	45%	0.454	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-42.7	176.2	-119.8	-72.2	0	0	0	111.9	W20 K21 Q28	W20-H24 AromaticContact CE3-CD2 3.95Å; W20-H24 VanDerWaalsContact O-CB 3.3Å; W20-H24 WeakPolarHBondContact O-CB 3.48Å; W20-H24 PolarHBondContact O-N 3.36Å; K21-H24 PolarHBondContact O-N 3.24Å; H24-Q28 WeakPolarHBondContact O-CB 3.34Å; H24-Q28 WeakPolarHBondContact O-CG 3.46Å; H24-Q28 PolarHBondContact O-N 3.15Å
25	L	36	Very low	39.9	Very low	63 Å²	63	98.1 Å²	98.1	33%	0.33	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-42.1	176.7	-98.9	124.4	0	0	0	111.4	K21 V22 Q28 L29	K21-L25 HydrophobicContact CB-CD1 4.36Å; K21-L25 VanDerWaalsContact O-CB 3.24Å; K21-L25 WeakPolarHBondContact O-CB 3.38Å; K21-L25 WeakPolarHBondContact O-CD1 3.5Å; K21-L25 PolarHBondContact O-N 3.05Å; V22-L25 PolarHBondContact O-N 3.26Å; L25-Q28 PolarHBondContact O-N 2.97Å; L25-L29 VanDerWaalsContact O-CB 3.26Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CD1 3.46Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 2.99Å
26	T	39.3	Very low	40.3	Very low	69 Å²	69	94.1 Å²	94.1	42%	0.423	45%	0.447	S	S	.	.	H	α-helix	trans	-71.6	-37.9	179.1	-47.3	0	0	0	0	112	V22 N30	V22-T26 WeakPolarHBondContact O-CB 3.44Å; V22-T26 PolarHBondContact O-N 3.33Å; V22-T26 PolarHBondContact O-OG1 3.09Å; T26-N30 WeakPolarHBondContact O-CB 3.18Å; T26-N30 PolarHBondContact O-N 3.29Å
27	F	39.3	Very low	40.4	Very low	143 Å²	143	93.7 Å²	93.7	63%	0.627	44%	0.443	S	S	*	.	H	α-helix	trans	-65.1	-43.2	171.6	-175.5	-97.9	0	0	0	111.2	K23 N30 F31	K23-F27 VanDerWaalsContact O-CB 3.25Å; K23-F27 WeakPolarHBondContact O-CB 3.4Å; K23-F27 PolarHBondContact O-N 2.87Å; F27-N30 PolarHBondContact O-N 3.04Å; F27-F31 WeakPolarHBondContact O-CB 2.96Å; F27-F31 PolarHBondContact O-N 3.06Å
28	Q	38.9	Very low	40.7	Very low	62 Å²	62	95.1 Å²	95.1	29%	0.29	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-47.4	174.4	-79.8	-174.6	-20.3	0	0	111.3	H24 L25 N30 F31 W32	H24-Q28 WeakPolarHBondContact O-CB 3.34Å; H24-Q28 WeakPolarHBondContact O-CG 3.46Å; H24-Q28 PolarHBondContact O-N 3.15Å; L25-Q28 PolarHBondContact O-N 2.97Å; Q28-N30 VanDerWaalsContact C-N 3.35Å; Q28-N30 PolarHBondContact O-N 3.16Å; Q28-F31 PolarHBondContact O-N 3.49Å; Q28-W32 VanDerWaalsContact O-CB 3.28Å; Q28-W32 WeakPolarHBondContact O-CB 3.01Å; Q28-W32 PolarHBondContact O-N 2.96Å
29	L	39	Very low	40.8	Very low	68 Å²	68	91.4 Å²	91.4	36%	0.356	43%	0.428	S	S	.	.	H	α-helix	trans	-57.6	-45.2	177.2	-89.1	155.5	0	0	0	111.9	L25 K33 H171	L25-L29 VanDerWaalsContact O-CB 3.26Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CD1 3.46Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 2.99Å; L29-K33 WeakPolarHBondContact O-CB 3.38Å; L29-K33 PolarHBondContact O-N 2.88Å; L29-H171 VanDerWaalsContact CD2-CE1 3.45Å; L29-H171 WeakPolarHBondContact CD2-CE1 3.06Å
30	N	43.1	Very low	41.1	Very low	94 Å²	94	86.4 Å²	86.4	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-69.8	-39.5	177.2	-72.7	-16.7	0	0	0	112.3	T26 F27 Q28 K33 E34	T26-N30 WeakPolarHBondContact O-CB 3.18Å; T26-N30 PolarHBondContact O-N 3.29Å; F27-N30 PolarHBondContact O-N 3.04Å; Q28-N30 VanDerWaalsContact C-N 3.35Å; Q28-N30 PolarHBondContact O-N 3.16Å; N30-K33 PolarHBondContact O-N 2.76Å; N30-E34 WeakPolarHBondContact O-CB 3.5Å; N30-E34 PolarHBondContact O-N 2.88Å
31	F	43.2	Very low	41.3	Very low	55 Å²	55	79.6 Å²	79.6	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-62.5	-44.6	175.1	176.5	-97.9	0	0	0	112	F27 Q28 E34 R35	F27-F31 WeakPolarHBondContact O-CB 2.96Å; F27-F31 PolarHBondContact O-N 3.06Å; Q28-F31 PolarHBondContact O-N 3.49Å; F31-E34 PolarHBondContact O-N 3.08Å; F31-R35 WeakPolarHBondContact O-CB 3.36Å; F31-R35 PolarHBondContact O-N 3.35Å
32	W	34.7	Very low	41.1	Very low	27 Å²	27	79 Å²	79	10%	0.102	39%	0.389	C	S	.	.	H	α-helix	trans	-63.5	-45	174.1	-70.5	126.9	0	0	0	110.6	Q28 E34 R35 I36 D173 D331 I334	Q28-W32 VanDerWaalsContact O-CB 3.28Å; Q28-W32 WeakPolarHBondContact O-CB 3.01Å; Q28-W32 PolarHBondContact O-N 2.96Å; W32-E34 PolarHBondContact O-N 3.29Å; W32-R35 PolarHBondContact O-N 3.11Å; W32-I36 HydrophobicContact CB-CD1 4.44Å; W32-I36 WeakPolarHBondContact O-CB 3.25Å; W32-I36 WeakPolarHBondContact O-CD1 3.36Å; W32-I36 WeakPolarHBondContact O-CG1 3.34Å; W32-I36 PolarHBondContact O-N 3.05Å; W32-D173 VanDerWaalsContact CH2-OD2 3.28Å; W32-D173 WeakPolarHBondContact CH2-OD2 3.35Å; W32-D331 HydrophobicContact CH2-CB 3.48Å; W32-D331 VanDerWaalsContact CH2-CB 3.48Å; W32-D331 HydrophobicContact CZ2-CB 4.2Å; W32-D331 HydrophobicContact CZ3-CB 3.98Å; W32-I334 HydrophobicContact CD2-CD1 4.38Å; W32-I334 HydrophobicContact CE3-CB 4.42Å; W32-I334 HydrophobicContact CE3-CD1 3.19Å; W32-I334 HydrophobicContact CE3-CG1 4Å; W32-I334 HydrophobicContact CH2-CD1 4.11Å; W32-I334 HydrophobicContact CH2-CG1 4.15Å; W32-I334 HydrophobicContact CZ3-CB 3.69Å; W32-I334 HydrophobicContact CZ3-CD1 3.03Å; W32-I334 HydrophobicContact CZ3-CG1 3.3Å; W32-I334 HydrophobicContact CZ3-CG2 4.42Å
33	K	43.6	Very low	40.5	Very low	97 Å²	97	81.2 Å²	81.2	42%	0.422	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-42.7	178.7	-161.7	177.3	-176.7	-168.4	0	111.6	L29 N30 E37 L170	L29-K33 WeakPolarHBondContact O-CB 3.38Å; L29-K33 PolarHBondContact O-N 2.88Å; N30-K33 PolarHBondContact O-N 2.76Å; K33-E37 WeakPolarHBondContact CE-OE1 3.44Å; K33-E37 HydrophobicContact CG-CG 4.44Å; K33-E37 VanDerWaalsContact O-CB 3.26Å; K33-E37 WeakPolarHBondContact O-CB 3.24Å; K33-E37 VanDerWaalsContact O-CG 3.26Å; K33-E37 WeakPolarHBondContact O-CG 3.12Å; K33-E37 PolarHBondContact O-N 2.6Å; K33-L170 HydrophobicContact CG-CD2 4.38Å
34	E	44.3	Very low	40	Very low	128 Å²	128	78.1 Å²	78.1	60%	0.598	39%	0.393	S	S	*	.	H	α-helix	trans	-65	-46.8	175.1	-81.8	-179.6	168.1	0	0	112.4	N30 F31 W32 I36 E37 L38	N30-E34 WeakPolarHBondContact O-CB 3.5Å; N30-E34 PolarHBondContact O-N 2.88Å; F31-E34 PolarHBondContact O-N 3.08Å; W32-E34 PolarHBondContact O-N 3.29Å; E34-I36 VanDerWaalsContact C-N 3.35Å; E34-I36 PolarHBondContact O-N 3.44Å; E34-E37 PolarHBondContact O-N 3.41Å; E34-L38 VanDerWaalsContact O-CB 3.24Å; E34-L38 WeakPolarHBondContact O-CB 3.5Å; E34-L38 WeakPolarHBondContact O-CD1 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.39Å; E34-L38 PolarHBondContact O-N 3.1Å
35	R	44.7	Very low	39.5	Very low	47 Å²	47	82.1 Å²	82.1	18%	0.177	41%	0.414	C	S	.	.	H	α-helix	trans	-67.5	-33.9	177.6	-92.3	-168.9	158.3	-176.5	-7.5	113.1	F31 W32 N39 D331 I334 D336	F31-R35 WeakPolarHBondContact O-CB 3.36Å; F31-R35 PolarHBondContact O-N 3.35Å; W32-R35 PolarHBondContact O-N 3.11Å; R35-N39 PolarHBondContact O-N 3.25Å; R35-N39 PolarHBondContact O-ND2 3.45Å; R35-D331 IonicContact NH1-OD2 3.73Å; R35-D331 PolarHBondContact NH1-OD2 3.23Å; R35-I334 HydrophobicContact CB-CG2 4.12Å; R35-I334 PolarHBondContact NH1-O 3.07Å; R35-D336 IonicContact NH2-OD2 3.08Å; R35-D336 PolarHBondContact NH2-OD2 3.25Å; R35-D336 VanDerWaalsContact NH2-OD2 3.08Å
36	I	47	Very low	39.4	Very low	14 Å²	14	82.1 Å²	82.1	7%	0.072	41%	0.414	C	S	.	.	H	α-helix	trans	-68	-56.2	172.3	-69.4	167.1	0	0	0	108	W32 E34 L38 N39 Y40 W120 L170 P172 I334	W32-I36 HydrophobicContact CB-CD1 4.44Å; W32-I36 WeakPolarHBondContact O-CB 3.25Å; W32-I36 WeakPolarHBondContact O-CD1 3.36Å; W32-I36 WeakPolarHBondContact O-CG1 3.34Å; W32-I36 PolarHBondContact O-N 3.05Å; E34-I36 VanDerWaalsContact C-N 3.35Å; E34-I36 PolarHBondContact O-N 3.44Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 2.98Å; I36-N39 WeakPolarHBondContact O-CA 3.26Å; I36-N39 WeakPolarHBondContact O-CB 3.48Å; I36-N39 PolarHBondContact O-N 3.44Å; I36-Y40 HydrophobicContact CG2-CD2 4.35Å; I36-Y40 HydrophobicContact CG2-CE2 3.65Å; I36-Y40 WeakPolarHBondContact O-CD2 3.36Å; I36-Y40 VanDerWaalsContact O-CE2 3.29Å; I36-Y40 WeakPolarHBondContact O-CE2 3.43Å; I36-W120 HydrophobicContact CG1-CH2 4.45Å; I36-L170 WeakPolarHBondContact CD1-O 2.95Å; I36-P172 HydrophobicContact CD1-CG 4.3Å; I36-I334 HydrophobicContact CG1-CD1 4.29Å
37	E	43.1	Very low	39.1	Very low	117 Å²	117	84.1 Å²	84.1	55%	0.547	43%	0.428	S	S	.	.	H	α-helix	trans	-58.1	-39	-178.8	-74.4	176.4	-177.1	0	0	113	K33 E34 N39 Y40	K33-E37 WeakPolarHBondContact CE-OE1 3.44Å; K33-E37 HydrophobicContact CG-CG 4.44Å; K33-E37 VanDerWaalsContact O-CB 3.26Å; K33-E37 WeakPolarHBondContact O-CB 3.24Å; K33-E37 VanDerWaalsContact O-CG 3.26Å; K33-E37 WeakPolarHBondContact O-CG 3.12Å; K33-E37 PolarHBondContact O-N 2.6Å; E34-E37 PolarHBondContact O-N 3.41Å; E37-N39 PolarHBondContact O-N 3.11Å; E37-Y40 PolarHBondContact O-N 2.96Å
38	L	45.1	Very low	39.2	Very low	106 Å²	106	80.6 Å²	80.6	56%	0.555	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.9	175	-75.5	165.3	0	0	0	114.2	E34 I36 R55	E34-L38 VanDerWaalsContact O-CB 3.24Å; E34-L38 WeakPolarHBondContact O-CB 3.5Å; E34-L38 WeakPolarHBondContact O-CD1 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.39Å; E34-L38 PolarHBondContact O-N 3.1Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 2.98Å; L38-R55 WeakPolarHBondContact O-CD 3.43Å; L38-R55 PolarHBondContact O-NE 2.82Å
39	N	45.2	Very low	39.6	Very low	8 Å²	8	84.6 Å²	84.6	4%	0.043	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.5	178.1	-91.9	-44.5	0	0	0	114.1	R35 I36 E37 C58 P337	R35-N39 PolarHBondContact O-N 3.25Å; R35-N39 PolarHBondContact O-ND2 3.45Å; I36-N39 WeakPolarHBondContact O-CA 3.26Å; I36-N39 WeakPolarHBondContact O-CB 3.48Å; I36-N39 PolarHBondContact O-N 3.44Å; E37-N39 PolarHBondContact O-N 3.11Å; N39-C58 PolarHBondContact O-SG 2.96Å; N39-C58 VanDerWaalsContact O-SG 3.32Å; N39-P337 WeakPolarHBondContact OD1-CG 3.42Å
40	Y	44.7	Very low	40.1	Very low	50 Å²	50	83.3 Å²	83.3	20%	0.196	44%	0.436	C	S	.	.			trans	-141.8	91.1	-172.8	-58	-123.4	0	0	0	112.3	I36 E37 C58 H59 W120 R167	I36-Y40 HydrophobicContact CG2-CD2 4.35Å; I36-Y40 HydrophobicContact CG2-CE2 3.65Å; I36-Y40 WeakPolarHBondContact O-CD2 3.36Å; I36-Y40 VanDerWaalsContact O-CE2 3.29Å; I36-Y40 WeakPolarHBondContact O-CE2 3.43Å; E37-Y40 PolarHBondContact O-N 2.96Å; Y40-C58 HydrophobicContact CD1-CB 4.49Å; Y40-H59 AromaticContact CD1-NE2 3.65Å; Y40-H59 AromaticContact CE1-NE2 3.86Å; Y40-W120 HydrophobicContact CE2-CH2 4.38Å; Y40-W120 HydrophobicContact CE2-CZ3 4.41Å; Y40-W120 WeakPolarHBondContact OH-CH2 3.5Å; Y40-R167 HydrophobicContact CE1-CB 4.01Å; Y40-R167 HydrophobicContact CE1-CG 4.41Å; Y40-R167 VanDerWaalsContact CE2-CZ 3.46Å; Y40-R167 VanDerWaalsContact CG-NH2 3.27Å; Y40-R167 WeakPolarHBondContact OH-CA 3.33Å; Y40-R167 WeakPolarHBondContact OH-CD 3.4Å; Y40-R167 PolarHBondContact OH-NE 3.31Å; Y40-R167 PolarHBondContact OH-NH1 3.43Å; Y40-R167 PolarHBondContact OH-NH2 3.08Å
41	P	38.2	Very low	40.3	Very low	34 Å²	34	81.1 Å²	81.1	22%	0.221	42%	0.423	C	S	.	.			trans	-92.2	120.2	163.4	21.4	-8.6	0	0	0	110.5	E52 R55 K56	P41-E52 HydrophobicContact CG-CG 4.31Å; P41-E52 VanDerWaalsContact CG-OE1 3.29Å; P41-E52 WeakPolarHBondContact CG-OE1 3.27Å; P41-R55 HydrophobicContact CG-CB 4.23Å; P41-K56 HydrophobicContact CG-CG 3.87Å; P41-K56 WeakPolarHBondContact O-CE 3.47Å; P41-K56 VanDerWaalsContact O-CG 3.32Å; P41-K56 WeakPolarHBondContact O-CG 3.3Å
42	T	33.3	Very low	40.3	Very low	120 Å²	120	82 Å²	82	74%	0.736	43%	0.428	S	S	*	.			trans	-63.8	142.7	170.5	41.6	0	0	0	0	112.2
43	D	29.8	Very low	41	Very low	134 Å²	134	82.4 Å²	82.4	72%	0.717	43%	0.434	S	S	*	.			trans	37.7	93.2	158.3	-64.2	-28.3	0	0	0	119.3
44	V	28.9	Very low	41.2	Very low	106 Å²	106	78.6 Å²	78.6	64%	0.642	42%	0.418	S	S	*	.			trans	-160.2	142.4	147	-165.8	0	0	0	0	108.6	I46	V44-I46 WeakPolarHBondContact O-CG1 3.48Å
45	M	28.8	Very low	41.6	Very low	182 Å²	182	74.9 Å²	74.9	90%	0.897	40%	0.399	S	S	*	.			trans	-56.5	130.6	164.4	-69.5	-83	-74.4	0	0	111.5
46	I	33.3	Very low	41.7	Very low	64 Å²	64	74.1 Å²	74.1	33%	0.328	40%	0.397	S	S	.	.			trans	-135.2	138.4	-174.9	-59.6	-178.8	0	0	0	113.2	V44 E52 K56	V44-I46 WeakPolarHBondContact O-CG1 3.48Å; I46-E52 HydrophobicContact CD1-CB 4.14Å; I46-E52 HydrophobicContact CD1-CG 3.82Å; I46-K56 HydrophobicContact CD1-CD 3.78Å; I46-K56 VanDerWaalsContact CD1-CE 3.45Å
47	P	33.8	Very low	42.2	Very low	111 Å²	111	74.4 Å²	74.4	72%	0.721	40%	0.398	S	S	*	.			trans	-71	162.1	172.2	-7.8	24.7	0	0	0	113.5
48	A	40.1	Very low	43.3	Very low	69 Å²	69	69.1 Å²	69.1	57%	0.57	37%	0.374	S	S	*	.	S	Bend	trans	-57.6	141.1	-168.2	0	0	0	0	0	116.3
49	Y	47.6	Very low	45	Very low	145 Å²	145	66.3 Å²	66.3	57%	0.569	36%	0.358	S	S	*	.	S	Bend	trans	71.5	44.2	165.3	-51.6	-74.9	0	0	0	118.4	D131 K135	Y49-D131 VanDerWaalsContact CE1-OD2 3.29Å; Y49-D131 WeakPolarHBondContact CE1-OD2 3.31Å; Y49-K135 WeakPolarHBondContact OH-CD 3.36Å; Y49-K135 PolarHBondContact OH-NZ 3.24Å
50	S	50.3	Low	46.9	Very low	42 Å²	42	66.5 Å²	66.5	29%	0.294	36%	0.358	S	S	.	.			trans	-104.2	151.2	163.7	69.4	0	0	0	0	111.8	E52 T53	S50-E52 PolarHBondContact O-N 3.15Å; S50-E52 VanDerWaalsContact OG-CB 3.22Å; S50-E52 WeakPolarHBondContact OG-CB 3.38Å; S50-T53 WeakPolarHBondContact O-CB 3.43Å; S50-T53 PolarHBondContact O-N 3.38Å; S50-T53 PolarHBondContact OG-N 3.44Å; S50-T53 PolarHBondContact OG-OG1 2.97Å
51	L	47.5	Very low	48.8	Very low	47 Å²	47	68 Å²	68	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-53.2	-31.5	168.6	-151.2	114.3	0	0	0	110.7	T53 L54 R55 P337 L341	L51-T53 PolarHBondContact O-N 3.09Å; L51-L54 PolarHBondContact O-N 2.95Å; L51-R55 WeakPolarHBondContact O-CG 3.35Å; L51-R55 PolarHBondContact O-N 2.94Å; L51-P337 WeakPolarHBondContact CD1-O 2.95Å; L51-P337 HydrophobicContact CD2-CB 3.87Å; L51-L341 HydrophobicContact CD1-CD1 4.18Å
52	E	42.9	Very low	51	Low	73 Å²	73	68.5 Å²	68.5	34%	0.341	37%	0.367	S	S	.	.	H	α-helix	trans	-55.9	-45.2	170.8	-145.8	72.1	-169	0	0	112.1	P41 I46 S50 L54 R55 K56	P41-E52 HydrophobicContact CG-CG 4.31Å; P41-E52 VanDerWaalsContact CG-OE1 3.29Å; P41-E52 WeakPolarHBondContact CG-OE1 3.27Å; I46-E52 HydrophobicContact CD1-CB 4.14Å; I46-E52 HydrophobicContact CD1-CG 3.82Å; S50-E52 PolarHBondContact O-N 3.15Å; S50-E52 VanDerWaalsContact OG-CB 3.22Å; S50-E52 WeakPolarHBondContact OG-CB 3.38Å; E52-L54 PolarHBondContact O-N 3.39Å; E52-R55 CarbonylContact O-C 3.58Å; E52-R55 PolarHBondContact O-N 3.17Å; E52-R55 IonicContact OE2-NH1 2.67Å; E52-K56 VanDerWaalsContact O-CG 3.3Å; E52-K56 WeakPolarHBondContact O-CG 3.47Å; E52-K56 PolarHBondContact O-N 3.05Å
53	T	47.9	Very low	53.7	Low	37 Å²	37	62.9 Å²	62.9	23%	0.227	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-43.8	178.5	-50.4	0	0	0	0	111.9	S50 L51 K56 L57	S50-T53 WeakPolarHBondContact O-CB 3.43Å; S50-T53 PolarHBondContact O-N 3.38Å; S50-T53 PolarHBondContact OG-N 3.44Å; S50-T53 PolarHBondContact OG-OG1 2.97Å; L51-T53 PolarHBondContact O-N 3.09Å; T53-K56 PolarHBondContact O-N 2.99Å; T53-L57 HydrophobicContact CG2-CD1 4.32Å; T53-L57 WeakPolarHBondContact O-CG 3.34Å; T53-L57 PolarHBondContact O-N 3.31Å; T53-L57 VanDerWaalsContact O-N 3.14Å
54	L	49.7	Very low	56.6	Low	16 Å²	16	60.1 Å²	60.1	8%	0.084	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-36.6	177.6	-74.9	167.9	0	0	0	111.9	L51 E52 K56 L57 I127 I340 L341	L51-L54 PolarHBondContact O-N 2.95Å; E52-L54 PolarHBondContact O-N 3.39Å; L54-K56 PolarHBondContact O-N 3.36Å; L54-L57 PolarHBondContact O-N 2.82Å; L54-I127 HydrophobicContact CD2-CG2 4.29Å; L54-I340 HydrophobicContact CB-CG2 4.48Å; L54-I340 HydrophobicContact CD1-CG2 4.04Å; L54-L341 HydrophobicContact CD1-CD2 3.3Å; L54-L341 HydrophobicContact CD1-CG 3.66Å
55	R	50.7	Low	59.5	Low	51 Å²	51	61 Å²	61	19%	0.192	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-21.8	171.4	-72.4	174.9	170.6	164.2	-3	113.7	L38 P41 L51 E52 C58 P337	L38-R55 WeakPolarHBondContact O-CD 3.43Å; L38-R55 PolarHBondContact O-NE 2.82Å; P41-R55 HydrophobicContact CG-CB 4.23Å; L51-R55 WeakPolarHBondContact O-CG 3.35Å; L51-R55 PolarHBondContact O-N 2.94Å; E52-R55 CarbonylContact O-C 3.58Å; E52-R55 PolarHBondContact O-N 3.17Å; E52-R55 IonicContact OE2-NH1 2.67Å; R55-C58 VanDerWaalsContact O-CB 3.3Å; R55-C58 WeakPolarHBondContact O-CB 3.18Å; R55-C58 PolarHBondContact O-SG 3.39Å; R55-P337 VanDerWaalsContact NH2-CB 3.27Å
56	K	48.3	Very low	62.4	Low	30 Å²	30	54 Å²	54	13%	0.13	27%	0.273	C	S	.	.	H	α-helix	trans	-88.8	-27.3	176.3	-66.9	-161.1	-175.1	-169.1	0	113.4	P41 I46 E52 T53 L54 C58 H62	P41-K56 HydrophobicContact CG-CG 3.87Å; P41-K56 WeakPolarHBondContact O-CE 3.47Å; P41-K56 VanDerWaalsContact O-CG 3.32Å; P41-K56 WeakPolarHBondContact O-CG 3.3Å; I46-K56 HydrophobicContact CD1-CD 3.78Å; I46-K56 VanDerWaalsContact CD1-CE 3.45Å; E52-K56 VanDerWaalsContact O-CG 3.3Å; E52-K56 WeakPolarHBondContact O-CG 3.47Å; E52-K56 PolarHBondContact O-N 3.05Å; T53-K56 PolarHBondContact O-N 2.99Å; L54-K56 PolarHBondContact O-N 3.36Å; K56-C58 PolarHBondContact O-N 3.07Å; K56-H62 PolarHBondContact O-ND1 3.01Å
57	L	56.7	Low	65.3	Low	21 Å²	21	51.1 Å²	51.1	11%	0.11	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	36.8	176.1	-65.5	174.1	0	0	0	113	T53 L54 H62 M63 F66 I127	T53-L57 HydrophobicContact CG2-CD1 4.32Å; T53-L57 WeakPolarHBondContact O-CG 3.34Å; T53-L57 PolarHBondContact O-N 3.31Å; T53-L57 VanDerWaalsContact O-N 3.14Å; L54-L57 PolarHBondContact O-N 2.82Å; L57-H62 HydrophobicContact CD2-CB 4.14Å; L57-M63 WeakPolarHBondContact O-CE 3.24Å; L57-M63 WeakPolarHBondContact O-CG 3.37Å; L57-F66 HydrophobicContact CD1-CB 4.47Å; L57-F66 HydrophobicContact CD1-CD1 4.18Å; L57-F66 HydrophobicContact CD1-CD2 4.3Å; L57-F66 HydrophobicContact CD1-CG 4.04Å; L57-F66 HydrophobicContact CD2-CB 3.62Å; L57-F66 HydrophobicContact CD2-CG 4.07Å; L57-I127 HydrophobicContact CB-CG2 4.44Å; L57-I127 HydrophobicContact CD1-CG2 3.38Å; L57-I127 HydrophobicContact CG-CG2 4.49Å
58	C	67	Low	68.2	Low	5 Å²	5	49.7 Å²	49.7	3%	0.034	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-8.1	-165	-93.9	0	0	0	0	113.1	N39 Y40 R55 K56 Y163 R167	N39-C58 PolarHBondContact O-SG 2.96Å; N39-C58 VanDerWaalsContact O-SG 3.32Å; Y40-C58 HydrophobicContact CD1-CB 4.49Å; R55-C58 VanDerWaalsContact O-CB 3.3Å; R55-C58 WeakPolarHBondContact O-CB 3.18Å; R55-C58 PolarHBondContact O-SG 3.39Å; K56-C58 PolarHBondContact O-N 3.07Å; C58-Y163 WeakPolarHBondContact O-CE1 3.22Å; C58-Y163 PolarHBondContact O-OH 3.03Å; C58-R167 WeakPolarHBondContact O-CD 3.13Å; C58-R167 WeakPolarHBondContact O-CG 3.42Å; C58-R167 PolarHBondContact O-NE 3.25Å; C58-R167 PolarHBondContact SG-NH2 3.08Å
59	H	79.2	Confident	70.8	Confident	47 Å²	47	49 Å²	49	22%	0.218	23%	0.23	C	C	.	.	S	Bend	trans	-117.7	150.1	171.8	-70.4	-81.2	0	0	0	109.9	Y40 H61 H62 M63 E164	Y40-H59 AromaticContact CD1-NE2 3.65Å; Y40-H59 AromaticContact CE1-NE2 3.86Å; H59-H61 WeakPolarHBondContact CB-CE1 3.23Å; H59-H61 VanDerWaalsContact CB-ND1 3.3Å; H59-H61 WeakPolarHBondContact CB-ND1 3.36Å; H59-H61 AromaticContact CG-CE1 3.84Å; H59-H61 PolarHBondContact O-N 3.31Å; H59-H62 PolarHBondContact O-N 2.89Å; H59-M63 PolarHBondContact O-N 3.11Å; H59-E164 IonicContact CE1-OE2 2.91Å; H59-E164 IonicContact CG-OE2 3.81Å; H59-E164 IonicContact ND1-OE1 3.66Å; H59-E164 IonicContact ND1-OE2 3.89Å; H59-E164 PolarHBondContact ND1-OE2 3.45Å
60	H	85.8	Confident	73	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.056	20%	0.204	C	C	.	.	H	α-helix	trans	-52.7	-43.8	178.2	174.4	-127.7	0	0	0	111.2	H62 M63 R64 N91 L157 P160 E164	H60-H62 VanDerWaalsContact C-N 3.34Å; H60-H62 PolarHBondContact O-N 2.79Å; H60-M63 PolarHBondContact O-N 2.85Å; H60-R64 WeakPolarHBondContact CE1-CD 3.44Å; H60-R64 VanDerWaalsContact NE2-CD 3.35Å; H60-R64 WeakPolarHBondContact NE2-CD 3.38Å; H60-R64 VanDerWaalsContact O-CG 3.25Å; H60-R64 WeakPolarHBondContact O-CG 3.37Å; H60-R64 PolarHBondContact O-N 2.7Å; H60-N91 PolarHBondContact CE1-O 3.22Å; H60-N91 VanDerWaalsContact CE1-O 3.25Å; H60-N91 PolarHBondContact NE2-O 2.89Å; H60-N91 VanDerWaalsContact NE2-O 3.12Å; H60-L157 HydrophobicContact CB-CD2 3.85Å; H60-P160 HydrophobicContact CB-CB 4.39Å; H60-E164 WeakPolarHBondContact CA-OE1 3.41Å; H60-E164 HydrophobicContact CB-CG 4.1Å; H60-E164 WeakPolarHBondContact CB-OE1 3.31Å; H60-E164 PolarHBondContact N-OE1 2.61Å
61	H	85.3	Confident	75.2	Confident	83 Å²	83	42.5 Å²	42.5	38%	0.384	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-37.2	179.8	71.4	-85.7	0	0	0	113.3	H59 R64 Q65	H59-H61 WeakPolarHBondContact CB-CE1 3.23Å; H59-H61 VanDerWaalsContact CB-ND1 3.3Å; H59-H61 WeakPolarHBondContact CB-ND1 3.36Å; H59-H61 AromaticContact CG-CE1 3.84Å; H59-H61 PolarHBondContact O-N 3.31Å; H61-R64 PolarHBondContact O-N 3.42Å; H61-Q65 WeakPolarHBondContact O-CG 3.41Å; H61-Q65 PolarHBondContact O-N 3.08Å
62	H	83.8	Confident	77.5	Confident	44 Å²	44	48.1 Å²	48.1	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-42.2	174.7	-67.2	156.2	0	0	0	111.9	K56 L57 H59 H60 R64 Q65 F66	K56-H62 PolarHBondContact O-ND1 3.01Å; L57-H62 HydrophobicContact CD2-CB 4.14Å; H59-H62 PolarHBondContact O-N 2.89Å; H60-H62 VanDerWaalsContact C-N 3.34Å; H60-H62 PolarHBondContact O-N 2.79Å; H62-R64 VanDerWaalsContact C-N 3.26Å; H62-R64 PolarHBondContact O-N 3.04Å; H62-Q65 PolarHBondContact O-N 3.34Å; H62-F66 WeakPolarHBondContact O-CB 3.45Å; H62-F66 PolarHBondContact O-N 2.95Å
63	M	89.5	Confident	80	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-57.3	-43	174.5	-65.6	178.1	-175.9	0	0	111.1	L57 H59 H60 F66 M67 I127 L157 Y163	L57-M63 WeakPolarHBondContact O-CE 3.24Å; L57-M63 WeakPolarHBondContact O-CG 3.37Å; H59-M63 PolarHBondContact O-N 3.11Å; H60-M63 PolarHBondContact O-N 2.85Å; M63-F66 PolarHBondContact O-N 3.48Å; M63-M67 WeakPolarHBondContact O-CG 3.21Å; M63-M67 PolarHBondContact O-N 3.02Å; M63-I127 HydrophobicContact CB-CD1 4.04Å; M63-I127 HydrophobicContact CG-CD1 4.05Å; M63-I127 HydrophobicContact CG-CG1 4.26Å; M63-L157 HydrophobicContact SD-CB 4.13Å; M63-L157 HydrophobicContact SD-CD2 4.05Å; M63-Y163 HydrophobicContact CE-CE1 3.85Å; M63-Y163 HydrophobicContact CE-CE2 4.28Å; M63-Y163 WeakPolarHBondContact CE-OH 3.38Å
64	R	92.3	Very high	82.3	Confident	77 Å²	77	49.7 Å²	49.7	29%	0.291	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-50	176.9	-66.5	-177.4	56	-145.8	-0.2	112.4	H60 H61 H62 F66 M67 R68 N91 E93	H60-R64 WeakPolarHBondContact CE1-CD 3.44Å; H60-R64 VanDerWaalsContact NE2-CD 3.35Å; H60-R64 WeakPolarHBondContact NE2-CD 3.38Å; H60-R64 VanDerWaalsContact O-CG 3.25Å; H60-R64 WeakPolarHBondContact O-CG 3.37Å; H60-R64 PolarHBondContact O-N 2.7Å; H61-R64 PolarHBondContact O-N 3.42Å; H62-R64 VanDerWaalsContact C-N 3.26Å; H62-R64 PolarHBondContact O-N 3.04Å; R64-F66 VanDerWaalsContact C-N 3.25Å; R64-F66 PolarHBondContact O-N 3.38Å; R64-M67 PolarHBondContact O-N 3.26Å; R64-R68 VanDerWaalsContact O-CG 3.31Å; R64-R68 WeakPolarHBondContact O-CG 3.49Å; R64-R68 PolarHBondContact O-N 3.15Å; R64-N91 PolarHBondContact NH2-ND2 2.88Å; R64-N91 VanDerWaalsContact NH2-ND2 3.14Å; R64-E93 VanDerWaalsContact CB-OE2 3.27Å; R64-E93 WeakPolarHBondContact CB-OE2 3.27Å; R64-E93 WeakPolarHBondContact CD-OE2 3.33Å; R64-E93 WeakPolarHBondContact CG-OE2 3.39Å; R64-E93 IonicContact CZ-OE1 3.85Å; R64-E93 IonicContact CZ-OE2 3.15Å; R64-E93 IonicContact NE-OE1 2.68Å; R64-E93 PolarHBondContact NE-OE1 2.93Å; R64-E93 VanDerWaalsContact NE-OE1 3.1Å; R64-E93 IonicContact NE-OE2 3.63Å; R64-E93 PolarHBondContact NE-OE2 2.66Å; R64-E93 IonicContact NH2-OE1 3.83Å; R64-E93 PolarHBondContact NH2-OE1 3.3Å
65	Q	89.9	Confident	84.5	Confident	125 Å²	125	52.1 Å²	52.1	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-58.2	-40.7	177.2	-76	174.1	-16.1	0	0	111.5	H61 H62 R68 S69	H61-Q65 WeakPolarHBondContact O-CG 3.41Å; H61-Q65 PolarHBondContact O-N 3.08Å; H62-Q65 PolarHBondContact O-N 3.34Å; Q65-R68 PolarHBondContact O-N 3.1Å; Q65-S69 PolarHBondContact O-N 3.45Å
66	F	89.3	Confident	86.6	Confident	35 Å²	35	60.8 Å²	60.8	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-51.3	175.1	176.4	-110.8	0	0	0	112.1	L57 H62 M63 R64 R68 S69 L70 I127 I130 D131	L57-F66 HydrophobicContact CD1-CB 4.47Å; L57-F66 HydrophobicContact CD1-CD1 4.18Å; L57-F66 HydrophobicContact CD1-CD2 4.3Å; L57-F66 HydrophobicContact CD1-CG 4.04Å; L57-F66 HydrophobicContact CD2-CB 3.62Å; L57-F66 HydrophobicContact CD2-CG 4.07Å; H62-F66 WeakPolarHBondContact O-CB 3.45Å; H62-F66 PolarHBondContact O-N 2.95Å; M63-F66 PolarHBondContact O-N 3.48Å; R64-F66 VanDerWaalsContact C-N 3.25Å; R64-F66 PolarHBondContact O-N 3.38Å; F66-R68 VanDerWaalsContact C-N 3.3Å; F66-R68 PolarHBondContact O-N 2.95Å; F66-S69 WeakPolarHBondContact O-CB 3.32Å; F66-S69 PolarHBondContact O-N 3.47Å; F66-S69 VanDerWaalsContact O-N 3.07Å; F66-S69 PolarHBondContact O-OG 2.94Å; F66-L70 HydrophobicContact CD1-CD1 4.27Å; F66-L70 HydrophobicContact CE1-CD1 3.61Å; F66-L70 HydrophobicContact CE1-CG 4.42Å; F66-L70 HydrophobicContact CE2-CD1 4.3Å; F66-L70 HydrophobicContact CE2-CD2 4.42Å; F66-L70 HydrophobicContact CE2-CG 4.3Å; F66-L70 HydrophobicContact CZ-CD1 3.62Å; F66-L70 HydrophobicContact CZ-CD2 4.3Å; F66-L70 HydrophobicContact CZ-CG 4.1Å; F66-L70 PolarHBondContact O-N 3.34Å; F66-L70 VanDerWaalsContact O-N 3.11Å; F66-I127 HydrophobicContact CD1-CD1 4.18Å; F66-I127 HydrophobicContact CD1-CG2 4.12Å; F66-I127 HydrophobicContact CE1-CG2 3.99Å; F66-I130 HydrophobicContact CE1-CG2 4.17Å; F66-D131 HydrophobicContact CE1-CB 4.25Å; F66-D131 HydrophobicContact CZ-CB 3.72Å
67	M	94.1	Very high	88.8	Confident	3 Å²	3	61 Å²	61	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-42.1	176.9	-70.8	-169.4	-67.4	0	0	112	M63 R64 S69 L70 E71 V80 E93 I95 I130 P156	M63-M67 WeakPolarHBondContact O-CG 3.21Å; M63-M67 PolarHBondContact O-N 3.02Å; R64-M67 PolarHBondContact O-N 3.26Å; M67-S69 VanDerWaalsContact C-N 3.33Å; M67-S69 PolarHBondContact O-N 3Å; M67-L70 PolarHBondContact O-N 3.42Å; M67-E71 PolarHBondContact O-N 3.26Å; M67-V80 HydrophobicContact CB-CG1 4.38Å; M67-V80 HydrophobicContact CB-CG2 3.76Å; M67-V80 WeakPolarHBondContact O-CG2 3.42Å; M67-E93 HydrophobicContact CE-CB 3.71Å; M67-I95 HydrophobicContact CB-CD1 4.16Å; M67-I95 HydrophobicContact CG-CD1 4.21Å; M67-I95 HydrophobicContact SD-CB 3.95Å; M67-I95 HydrophobicContact SD-CG2 4.15Å; M67-I130 HydrophobicContact SD-CD1 4.23Å; M67-P156 HydrophobicContact CE-CG 3.91Å; M67-P156 HydrophobicContact SD-CG 3.67Å
68	R	95.2	Very high	90.7	Very high	81 Å²	81	60 Å²	60	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-36.1	175.6	-63.7	-64.7	175.5	-169.3	-4.3	112.5	R64 Q65 F66 L70 E71 Q72 V80 E93	R64-R68 VanDerWaalsContact O-CG 3.31Å; R64-R68 WeakPolarHBondContact O-CG 3.49Å; R64-R68 PolarHBondContact O-N 3.15Å; Q65-R68 PolarHBondContact O-N 3.1Å; F66-R68 VanDerWaalsContact C-N 3.3Å; F66-R68 PolarHBondContact O-N 2.95Å; R68-L70 VanDerWaalsContact C-N 3.3Å; R68-L70 PolarHBondContact O-N 3.26Å; R68-E71 IonicContact CZ-OE2 3.77Å; R68-E71 IonicContact NH1-OE2 3.34Å; R68-E71 PolarHBondContact NH1-OE2 3.28Å; R68-E71 PolarHBondContact O-N 3.06Å; R68-Q72 PolarHBondContact O-N 3.01Å; R68-V80 VanDerWaalsContact NH1-CB 3.26Å; R68-V80 PolarHBondContact NH1-O 3.09Å; R68-E93 IonicContact CZ-OE1 3.89Å; R68-E93 IonicContact NE-OE1 3.58Å; R68-E93 IonicContact NH2-OE1 2.81Å; R68-E93 PolarHBondContact NH2-OE1 3.37Å
69	S	94.7	Very high	92.2	Very high	55 Å²	55	64.1 Å²	64.1	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-36	174.6	81	0	0	0	0	112.2	Q65 F66 M67 Q72 K73	Q65-S69 PolarHBondContact O-N 3.45Å; F66-S69 WeakPolarHBondContact O-CB 3.32Å; F66-S69 PolarHBondContact O-N 3.47Å; F66-S69 VanDerWaalsContact O-N 3.07Å; F66-S69 PolarHBondContact O-OG 2.94Å; M67-S69 VanDerWaalsContact C-N 3.33Å; M67-S69 PolarHBondContact O-N 3Å; S69-Q72 PolarHBondContact O-N 3.11Å; S69-K73 VanDerWaalsContact O-CB 3.32Å; S69-K73 WeakPolarHBondContact O-CB 3.38Å; S69-K73 PolarHBondContact O-N 2.92Å
70	L	92.8	Very high	93	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-70.8	-41.1	175.7	-66.2	175	0	0	0	112.1	F66 M67 R68 Q72 K73 Y74 V78 I95 I130 A134	F66-L70 HydrophobicContact CD1-CD1 4.27Å; F66-L70 HydrophobicContact CE1-CD1 3.61Å; F66-L70 HydrophobicContact CE1-CG 4.42Å; F66-L70 HydrophobicContact CE2-CD1 4.3Å; F66-L70 HydrophobicContact CE2-CD2 4.42Å; F66-L70 HydrophobicContact CE2-CG 4.3Å; F66-L70 HydrophobicContact CZ-CD1 3.62Å; F66-L70 HydrophobicContact CZ-CD2 4.3Å; F66-L70 HydrophobicContact CZ-CG 4.1Å; F66-L70 PolarHBondContact O-N 3.34Å; F66-L70 VanDerWaalsContact O-N 3.11Å; M67-L70 PolarHBondContact O-N 3.42Å; R68-L70 VanDerWaalsContact C-N 3.3Å; R68-L70 PolarHBondContact O-N 3.26Å; L70-Q72 VanDerWaalsContact C-N 3.33Å; L70-Q72 PolarHBondContact O-N 3.47Å; L70-K73 PolarHBondContact O-N 2.89Å; L70-Y74 HydrophobicContact CD2-CD2 4.48Å; L70-Y74 HydrophobicContact CD2-CE2 4.28Å; L70-Y74 PolarHBondContact O-N 3.29Å; L70-V78 HydrophobicContact CB-CG1 4.18Å; L70-I95 HydrophobicContact CB-CD1 4.43Å; L70-I95 HydrophobicContact CD1-CD1 4.33Å; L70-I130 HydrophobicContact CD1-CG2 3.5Å; L70-I130 VanDerWaalsContact CD1-CG2 3.5Å; L70-A134 HydrophobicContact CB-CB 4.26Å; L70-A134 HydrophobicContact CD1-CB 3.82Å; L70-A134 HydrophobicContact CD2-CB 4Å; L70-A134 HydrophobicContact CG-CB 4.26Å
71	E	96.4	Very high	93.6	Very high	43 Å²	43	65.2 Å²	65.2	20%	0.201	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-43.9	172.2	173.8	172	-123.4	0	0	111.4	M67 R68 Y74 P75 V78 K79 V80	M67-E71 PolarHBondContact O-N 3.26Å; R68-E71 IonicContact CZ-OE2 3.77Å; R68-E71 IonicContact NH1-OE2 3.34Å; R68-E71 PolarHBondContact NH1-OE2 3.28Å; R68-E71 PolarHBondContact O-N 3.06Å; E71-Y74 CarbonylContact O-C 3.55Å; E71-P75 WeakPolarHBondContact O-CA 3.21Å; E71-P75 WeakPolarHBondContact O-CB 3.3Å; E71-V78 HydrophobicContact CB-CG1 4.16Å; E71-K79 WeakPolarHBondContact OE1-CA 3.47Å; E71-V80 HydrophobicContact CB-CG2 4.04Å; E71-V80 PolarHBondContact OE1-N 3.41Å
72	Q	96.5	Very high	94.2	Very high	165 Å²	165	64.6 Å²	64.6	77%	0.771	30%	0.299	S	S	*	.	H	α-helix	trans	-65.5	-39.6	176.6	-172.6	180	16.9	0	0	112.2	R68 S69 L70	R68-Q72 PolarHBondContact O-N 3.01Å; S69-Q72 PolarHBondContact O-N 3.11Å; L70-Q72 VanDerWaalsContact C-N 3.33Å; L70-Q72 PolarHBondContact O-N 3.47Å
73	K	95.8	Very high	94.9	Very high	125 Å²	125	64.1 Å²	64.1	54%	0.543	30%	0.297	S	S	.	.	H	α-helix	trans	-74.2	-38.4	-178	-169.9	177.7	-178.6	-161.7	0	112.7	S69 L70 P75	S69-K73 VanDerWaalsContact O-CB 3.32Å; S69-K73 WeakPolarHBondContact O-CB 3.38Å; S69-K73 PolarHBondContact O-N 2.92Å; L70-K73 PolarHBondContact O-N 2.89Å; K73-P75 WeakPolarHBondContact O-CD 3.36Å
74	Y	96	Very high	95.3	Very high	18 Å²	18	65 Å²	65	7%	0.071	31%	0.307	C	S	.	.	S	Bend	trans	-125.2	56.5	-175.4	-52.4	-64.3	0	0	0	112.1	L70 E71 R76 N77 V78 A134 K135 E139	L70-Y74 HydrophobicContact CD2-CD2 4.48Å; L70-Y74 HydrophobicContact CD2-CE2 4.28Å; L70-Y74 PolarHBondContact O-N 3.29Å; E71-Y74 CarbonylContact O-C 3.55Å; Y74-R76 PolarHBondContact O-N 3.3Å; Y74-N77 PolarHBondContact O-N 3.08Å; Y74-V78 PolarHBondContact O-N 3.14Å; Y74-A134 HydrophobicContact CD2-CB 4.34Å; Y74-K135 HydrophobicContact CE2-CG 4.18Å; Y74-E139 HydrophobicContact CE1-CG 4.02Å; Y74-E139 PolarHBondContact OH-OE1 2.89Å
75	P	95.6	Very high	95.5	Very high	67 Å²	67	66.5 Å²	66.5	44%	0.435	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.9	-165.8	28	-37.2	0	0	0	114.8	E71 K73 K79	E71-P75 WeakPolarHBondContact O-CA 3.21Å; E71-P75 WeakPolarHBondContact O-CB 3.3Å; K73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-K79 WeakPolarHBondContact O-CE 3.19Å; P75-K79 PolarHBondContact O-NZ 2.84Å
76	R	93.9	Very high	95.8	Very high	233 Å²	233	60.8 Å²	60.8	88%	0.879	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-28.5	174.6	-68.6	-176.3	-179.7	176.2	0.5	112.7	Y74	Y74-R76 PolarHBondContact O-N 3.3Å
77	N	95.5	Very high	95.9	Very high	36 Å²	36	66.2 Å²	66.2	19%	0.193	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-13.5	-170.7	-63.9	100.9	0	0	0	113.5	Y74 I97 G98	Y74-N77 PolarHBondContact O-N 3.08Å; N77-I97 CarbonylContact O-C 3.6Å; N77-I97 VanDerWaalsContact O-CA 3.31Å; N77-I97 WeakPolarHBondContact O-CA 3.47Å; N77-G98 WeakPolarHBondContact CA-O 3.43Å; N77-G98 PolarHBondContact ND2-O 2.89Å; N77-G98 PolarHBondContact O-N 2.87Å
78	V	96.5	Very high	95.8	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.5	-175.6	-179.5	0	0	0	0	109.2	L70 E71 Y74 I95 E96 I97 A134	L70-V78 HydrophobicContact CB-CG1 4.18Å; E71-V78 HydrophobicContact CB-CG1 4.16Å; Y74-V78 PolarHBondContact O-N 3.14Å; V78-I95 HydrophobicContact CG1-CD1 3.45Å; V78-I95 VanDerWaalsContact CG1-CD1 3.45Å; V78-I95 HydrophobicContact CG1-CG1 3.69Å; V78-E96 WeakPolarHBondContact CA-O 3.23Å; V78-I97 HydrophobicContact CG2-CG1 4.43Å; V78-I97 HydrophobicContact CG2-CG2 4.36Å; V78-A134 HydrophobicContact CG2-CB 3.9Å
79	K	97.5	Very high	95.6	Very high	91 Å²	91	70.6 Å²	70.6	40%	0.396	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.1	172.6	-63.8	-62	-175.2	-159.3	0	110.1	E71 P75 H81 I95 E96	E71-K79 WeakPolarHBondContact OE1-CA 3.47Å; P75-K79 WeakPolarHBondContact O-CE 3.19Å; P75-K79 PolarHBondContact O-NZ 2.84Å; K79-H81 VanDerWaalsContact CB-NE2 3.3Å; K79-H81 WeakPolarHBondContact CB-NE2 3.34Å; K79-I95 CarbonylContact O-C 3.56Å; K79-I95 WeakPolarHBondContact O-CA 3.21Å; K79-E96 HydrophobicContact CB-CB 4.34Å; K79-E96 PolarHBondContact N-O 3.43Å; K79-E96 PolarHBondContact O-N 3.34Å
80	V	97.4	Very high	95.6	Very high	9 Å²	9	71.5 Å²	71.5	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.7	178.2	178.2	0	0	0	0	109.7	M67 R68 E71 E93 I95	M67-V80 HydrophobicContact CB-CG1 4.38Å; M67-V80 HydrophobicContact CB-CG2 3.76Å; M67-V80 WeakPolarHBondContact O-CG2 3.42Å; R68-V80 VanDerWaalsContact NH1-CB 3.26Å; R68-V80 PolarHBondContact NH1-O 3.09Å; E71-V80 HydrophobicContact CB-CG2 4.04Å; E71-V80 PolarHBondContact OE1-N 3.41Å; V80-E93 HydrophobicContact CG1-CB 4.29Å; V80-I95 HydrophobicContact CG2-CB 4.22Å; V80-I95 HydrophobicContact CG2-CD1 3.97Å; V80-I95 HydrophobicContact CG2-CG1 3.78Å
81	H	97.7	Very high	95.8	Very high	72 Å²	72	72.5 Å²	72.5	33%	0.333	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.1	-175.8	-59.5	-86	0	0	0	110.7	K79 E93 M94 E96	K79-H81 VanDerWaalsContact CB-NE2 3.3Å; K79-H81 WeakPolarHBondContact CB-NE2 3.34Å; H81-E93 CarbonylContact O-C 3.57Å; H81-E93 VanDerWaalsContact O-CA 3.28Å; H81-E93 WeakPolarHBondContact O-CA 3.43Å; H81-M94 HydrophobicContact CB-CE 4.26Å; H81-M94 PolarHBondContact N-O 2.7Å; H81-M94 PolarHBondContact O-N 2.88Å; H81-E96 IonicContact CD2-OE2 3.31Å; H81-E96 IonicContact NE2-OE2 2.88Å; H81-E96 PolarHBondContact NE2-OE2 3.45Å
82	V	98.3	Very high	95.9	Very high	70 Å²	70	70.5 Å²	70.5	42%	0.424	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.3	164	-179	0	0	0	0	106.8	G84 N91 L92 E93	V82-G84 WeakPolarHBondContact CG1-O 3.12Å; V82-N91 HydrophobicContact CG1-CB 4.11Å; V82-N91 HydrophobicContact CG2-CB 4.24Å; V82-N91 WeakPolarHBondContact CG2-ND2 3.43Å; V82-L92 CarbonylContact C-O 3.54Å; V82-L92 WeakPolarHBondContact CA-O 3.24Å; V82-E93 HydrophobicContact CG2-CG 4.12Å
83	I	98.2	Very high	95.9	Very high	34 Å²	34	62.9 Å²	62.9	17%	0.174	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-11.9	180	56.9	165.2	0	0	0	112.7	L92 M94 W110 L158 A227 F231	I83-L92 HydrophobicContact CG1-CB 3.92Å; I83-L92 WeakPolarHBondContact CG1-O 3.31Å; I83-L92 PolarHBondContact N-O 3.42Å; I83-M94 HydrophobicContact CD1-CB 4.39Å; I83-M94 HydrophobicContact CG2-CB 3.92Å; I83-M94 HydrophobicContact CG2-CE 3.53Å; I83-W110 HydrophobicContact CD1-CH2 4.07Å; I83-L158 HydrophobicContact CD1-CD2 4.35Å; I83-A227 HydrophobicContact CD1-CB 4.36Å; I83-A227 HydrophobicContact CG1-CB 4.33Å; I83-F231 HydrophobicContact CG2-CD2 4.28Å
84	G	98.1	Very high	96	Very high	20 Å²	20	57.1 Å²	57.1	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-167.6	179	0	0	0	0	0	112.2	V82 L92	V82-G84 WeakPolarHBondContact CG1-O 3.12Å; G84-L92 PolarHBondContact O-N 3.08Å
85	K	97.3	Very high	96.1	Very high	108 Å²	108	56.2 Å²	56.2	47%	0.47	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.2	175.5	-64.9	-66.1	-163.5	148.9	0	109	R90 N91 P223	K85-R90 CarbonylContact C-O 3.55Å; K85-R90 VanDerWaalsContact CA-O 3.25Å; K85-R90 WeakPolarHBondContact CA-O 3.42Å; K85-N91 WeakPolarHBondContact CD-OD1 3.44Å; K85-N91 WeakPolarHBondContact CE-OD1 3.24Å; K85-N91 PolarHBondContact NZ-OD1 3.19Å; K85-P223 WeakPolarHBondContact O-CB 3.44Å
86	S	94.8	Very high	96.3	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.042	25%	0.254	C	S	.	.			trans	-74.6	175	170.8	71.2	0	0	0	0	112	E88 G89 R90 D161 E224	S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 3.07Å; S86-G89 PolarHBondContact O-N 3.33Å; S86-G89 PolarHBondContact OG-N 2.7Å; S86-R90 PolarHBondContact N-O 3.11Å; S86-R90 WeakPolarHBondContact OG-CB 3.47Å; S86-R90 PolarHBondContact OG-N 3.29Å; S86-R90 PolarHBondContact OG-O 3.36Å; S86-D161 VanDerWaalsContact CB-CG 3.43Å; S86-D161 WeakPolarHBondContact CB-OD1 3.04Å; S86-D161 VanDerWaalsContact CB-OD2 3.23Å; S86-D161 WeakPolarHBondContact CB-OD2 3.33Å; S86-D161 PolarHBondContact OG-OD1 2.83Å; S86-D161 PolarHBondContact OG-OD2 3.09Å; S86-E224 WeakPolarHBondContact CA-OE1 3.49Å; S86-E224 WeakPolarHBondContact CB-OE1 3.46Å
87	R	91	Very high	96.4	Very high	149 Å²	149	42.7 Å²	42.7	56%	0.562	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.5	176.5	-162	173.8	-151.3	-75.8	-9.3	113.3	G89 D161 E222 P223 E224	R87-G89 VanDerWaalsContact C-N 3.33Å; R87-D161 PolarHBondContact N-OD2 3.28Å; R87-D161 VanDerWaalsContact N-OD2 3.14Å; R87-E222 IonicContact NE-OE2 3.93Å; R87-P223 HydrophobicContact CB-CG 4.27Å; R87-E224 PolarHBondContact N-OE1 3.35Å
88	E	91.7	Very high	96.4	Very high	133 Å²	133	41 Å²	41	62%	0.621	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	9.6	175.6	-61	-175.9	177.4	0	0	112.9	S86 R90 D161	S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 3.07Å; E88-R90 IonicContact OE2-CZ 3.01Å; E88-R90 VanDerWaalsContact OE2-CZ 3.29Å; E88-R90 IonicContact OE2-NH1 3.29Å; E88-R90 PolarHBondContact OE2-NH1 3.44Å; E88-R90 IonicContact OE2-NH2 3.86Å; E88-R90 PolarHBondContact OE2-NH2 3.14Å; E88-D161 WeakPolarHBondContact CB-OD2 2.97Å; E88-D161 HydrophobicContact CG-CB 4.35Å; E88-D161 WeakPolarHBondContact CG-OD2 3.24Å; E88-D161 PolarHBondContact N-OD2 2.98Å
89	G	92.7	Very high	95.8	Very high	42 Å²	42	46.6 Å²	46.6	43%	0.433	23%	0.225	S	C	.	.	S	Bend	trans	83	9.7	172.3	0	0	0	0	0	115.6	S86 R87	S86-G89 PolarHBondContact O-N 3.33Å; S86-G89 PolarHBondContact OG-N 2.7Å; R87-G89 VanDerWaalsContact C-N 3.33Å
90	R	94.4	Very high	95.2	Very high	74 Å²	74	44.3 Å²	44.3	28%	0.279	22%	0.221	S	C	.	.			trans	-69.1	146.1	172.8	-58.7	-172.2	179	77.2	3.2	109.8	K85 S86 E88 L92 P160 D161	K85-R90 CarbonylContact C-O 3.55Å; K85-R90 VanDerWaalsContact CA-O 3.25Å; K85-R90 WeakPolarHBondContact CA-O 3.42Å; S86-R90 PolarHBondContact N-O 3.11Å; S86-R90 WeakPolarHBondContact OG-CB 3.47Å; S86-R90 PolarHBondContact OG-N 3.29Å; S86-R90 PolarHBondContact OG-O 3.36Å; E88-R90 IonicContact OE2-CZ 3.01Å; E88-R90 VanDerWaalsContact OE2-CZ 3.29Å; E88-R90 IonicContact OE2-NH1 3.29Å; E88-R90 PolarHBondContact OE2-NH1 3.44Å; E88-R90 IonicContact OE2-NH2 3.86Å; E88-R90 PolarHBondContact OE2-NH2 3.14Å; R90-L92 PolarHBondContact O-N 2.91Å; R90-P160 HydrophobicContact CB-CB 4.36Å; R90-P160 HydrophobicContact CB-CG 4.15Å; R90-D161 IonicContact CZ-OD1 2.85Å; R90-D161 VanDerWaalsContact NH1-CG 3.28Å; R90-D161 IonicContact NH1-OD1 2.7Å; R90-D161 PolarHBondContact NH1-OD1 3.36Å
91	N	97.1	Very high	94.4	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.144	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.3	174.7	-73.2	-4.1	0	0	0	110.5	H60 R64 V82 K85 E93	H60-N91 PolarHBondContact CE1-O 3.22Å; H60-N91 VanDerWaalsContact CE1-O 3.25Å; H60-N91 PolarHBondContact NE2-O 2.89Å; H60-N91 VanDerWaalsContact NE2-O 3.12Å; R64-N91 PolarHBondContact NH2-ND2 2.88Å; R64-N91 VanDerWaalsContact NH2-ND2 3.14Å; V82-N91 HydrophobicContact CG1-CB 4.11Å; V82-N91 HydrophobicContact CG2-CB 4.24Å; V82-N91 WeakPolarHBondContact CG2-ND2 3.43Å; K85-N91 WeakPolarHBondContact CD-OD1 3.44Å; K85-N91 WeakPolarHBondContact CE-OD1 3.24Å; K85-N91 PolarHBondContact NZ-OD1 3.19Å; N91-E93 HydrophobicContact CB-CG 3.74Å; N91-E93 PolarHBondContact ND2-OE1 3.44Å
92	L	97.5	Very high	93.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.2	160.6	-64.3	166.2	0	0	0	107	V82 I83 G84 R90 L158 P160 E224 A227	V82-L92 CarbonylContact C-O 3.54Å; V82-L92 WeakPolarHBondContact CA-O 3.24Å; I83-L92 HydrophobicContact CG1-CB 3.92Å; I83-L92 WeakPolarHBondContact CG1-O 3.31Å; I83-L92 PolarHBondContact N-O 3.42Å; G84-L92 PolarHBondContact O-N 3.08Å; R90-L92 PolarHBondContact O-N 2.91Å; L92-L158 WeakPolarHBondContact CD2-O 3.28Å; L92-P160 VanDerWaalsContact CD2-CD 3.43Å; L92-P160 HydrophobicContact CD2-CG 3.78Å; L92-E224 HydrophobicContact CD1-CB 4.22Å; L92-E224 HydrophobicContact CD1-CG 4.11Å; L92-E224 HydrophobicContact CD2-CG 4.17Å; L92-A227 HydrophobicContact CD1-CB 3.63Å
93	E	97.9	Very high	92.8	Very high	5 Å²	5	47 Å²	47	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140	-175.1	-65.9	-172.2	159.9	0	0	111.5	R64 M67 R68 V80 H81 V82 N91	R64-E93 VanDerWaalsContact CB-OE2 3.27Å; R64-E93 WeakPolarHBondContact CB-OE2 3.27Å; R64-E93 WeakPolarHBondContact CD-OE2 3.33Å; R64-E93 WeakPolarHBondContact CG-OE2 3.39Å; R64-E93 IonicContact CZ-OE1 3.85Å; R64-E93 IonicContact CZ-OE2 3.15Å; R64-E93 IonicContact NE-OE1 2.68Å; R64-E93 PolarHBondContact NE-OE1 2.93Å; R64-E93 VanDerWaalsContact NE-OE1 3.1Å; R64-E93 IonicContact NE-OE2 3.63Å; R64-E93 PolarHBondContact NE-OE2 2.66Å; R64-E93 IonicContact NH2-OE1 3.83Å; R64-E93 PolarHBondContact NH2-OE1 3.3Å; M67-E93 HydrophobicContact CE-CB 3.71Å; R68-E93 IonicContact CZ-OE1 3.89Å; R68-E93 IonicContact NE-OE1 3.58Å; R68-E93 IonicContact NH2-OE1 2.81Å; R68-E93 PolarHBondContact NH2-OE1 3.37Å; V80-E93 HydrophobicContact CG1-CB 4.29Å; H81-E93 CarbonylContact O-C 3.57Å; H81-E93 VanDerWaalsContact O-CA 3.28Å; H81-E93 WeakPolarHBondContact O-CA 3.43Å; V82-E93 HydrophobicContact CG2-CG 4.12Å; N91-E93 HydrophobicContact CB-CG 3.74Å; N91-E93 PolarHBondContact ND2-OE1 3.44Å
94	M	98.1	Very high	91.8	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.3	174.7	170.9	-92.7	-60.7	0	0	108.6	H81 I83 W110 C153 I154 A155 F231	H81-M94 HydrophobicContact CB-CE 4.26Å; H81-M94 PolarHBondContact N-O 2.7Å; H81-M94 PolarHBondContact O-N 2.88Å; I83-M94 HydrophobicContact CD1-CB 4.39Å; I83-M94 HydrophobicContact CG2-CB 3.92Å; I83-M94 HydrophobicContact CG2-CE 3.53Å; M94-W110 HydrophobicContact CE-CZ3 4.36Å; M94-W110 HydrophobicContact CG-CH2 4.16Å; M94-W110 HydrophobicContact CG-CZ3 3.78Å; M94-C153 HydrophobicContact CE-CB 4.45Å; M94-C153 HydrophobicContact CG-CB 4.08Å; M94-C153 HydrophobicContact SD-CB 3.5Å; M94-C153 WeakPolarHBondContact SD-CB 3.34Å; M94-C153 VanDerWaalsContact SD-SG 3.68Å; M94-I154 CarbonylContact C-O 3.51Å; M94-I154 VanDerWaalsContact CA-O 3.31Å; M94-I154 WeakPolarHBondContact CA-O 3.42Å; M94-A155 HydrophobicContact CB-CB 4.22Å; M94-A155 HydrophobicContact CG-CB 4.5Å; M94-F231 HydrophobicContact CE-CD2 3.73Å; M94-F231 HydrophobicContact CE-CE2 3.24Å; M94-F231 HydrophobicContact CE-CZ 3.89Å
95	I	97.8	Very high	90.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.2	177.6	-166.9	169.6	0	0	0	110	M67 L70 V78 K79 V80 I97 I130 C153 I154	M67-I95 HydrophobicContact CB-CD1 4.16Å; M67-I95 HydrophobicContact CG-CD1 4.21Å; M67-I95 HydrophobicContact SD-CB 3.95Å; M67-I95 HydrophobicContact SD-CG2 4.15Å; L70-I95 HydrophobicContact CB-CD1 4.43Å; L70-I95 HydrophobicContact CD1-CD1 4.33Å; V78-I95 HydrophobicContact CG1-CD1 3.45Å; V78-I95 VanDerWaalsContact CG1-CD1 3.45Å; V78-I95 HydrophobicContact CG1-CG1 3.69Å; K79-I95 CarbonylContact O-C 3.56Å; K79-I95 WeakPolarHBondContact O-CA 3.21Å; V80-I95 HydrophobicContact CG2-CB 4.22Å; V80-I95 HydrophobicContact CG2-CD1 3.97Å; V80-I95 HydrophobicContact CG2-CG1 3.78Å; I95-I97 HydrophobicContact CD1-CD1 4.37Å; I95-I97 HydrophobicContact CD1-CG1 4.3Å; I95-I97 HydrophobicContact CG1-CD1 4.43Å; I95-I97 HydrophobicContact CG1-CG1 3.97Å; I95-I97 HydrophobicContact CG2-CD1 4.16Å; I95-I97 HydrophobicContact CG2-CG1 4.33Å; I95-I130 HydrophobicContact CD1-CG2 3.81Å; I95-I130 HydrophobicContact CG2-CB 4.41Å; I95-I130 HydrophobicContact CG2-CD1 3.6Å; I95-I130 HydrophobicContact CG2-CG1 3.58Å; I95-I130 HydrophobicContact CG2-CG2 4Å; I95-C153 WeakPolarHBondContact O-CA 3.37Å; I95-I154 HydrophobicContact CG2-CB 3.99Å; I95-I154 PolarHBondContact N-O 3.38Å; I95-I154 PolarHBondContact O-N 3.29Å
96	E	98	Very high	90.2	Very high	15 Å²	15	56.7 Å²	56.7	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.8	171.5	-178.6	177.9	146.6	0	0	108	V78 K79 H81 S100 L101 V151 W152	V78-E96 WeakPolarHBondContact CA-O 3.23Å; K79-E96 HydrophobicContact CB-CB 4.34Å; K79-E96 PolarHBondContact N-O 3.43Å; K79-E96 PolarHBondContact O-N 3.34Å; H81-E96 IonicContact CD2-OE2 3.31Å; H81-E96 IonicContact NE2-OE2 2.88Å; H81-E96 PolarHBondContact NE2-OE2 3.45Å; E96-S100 WeakPolarHBondContact OE1-CA 3.45Å; E96-S100 PolarHBondContact OE1-OG 2.57Å; E96-L101 HydrophobicContact CG-CG 4.35Å; E96-L101 PolarHBondContact OE1-N 2.65Å; E96-V151 HydrophobicContact CG-CG1 3.69Å; E96-W152 CarbonylContact C-O 3.59Å; E96-W152 VanDerWaalsContact CA-O 3.3Å; E96-W152 WeakPolarHBondContact CA-O 3.45Å
97	I	97.7	Very high	90.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.4	180	-51.7	171	0	0	0	109.3	N77 V78 I95 I130 L133 A134 Y137 W152	N77-I97 CarbonylContact O-C 3.6Å; N77-I97 VanDerWaalsContact O-CA 3.31Å; N77-I97 WeakPolarHBondContact O-CA 3.47Å; V78-I97 HydrophobicContact CG2-CG1 4.43Å; V78-I97 HydrophobicContact CG2-CG2 4.36Å; I95-I97 HydrophobicContact CD1-CD1 4.37Å; I95-I97 HydrophobicContact CD1-CG1 4.3Å; I95-I97 HydrophobicContact CG1-CD1 4.43Å; I95-I97 HydrophobicContact CG1-CG1 3.97Å; I95-I97 HydrophobicContact CG2-CD1 4.16Å; I95-I97 HydrophobicContact CG2-CG1 4.33Å; I97-I130 HydrophobicContact CD1-CG2 4.29Å; I97-L133 HydrophobicContact CD1-CB 3.91Å; I97-L133 HydrophobicContact CG2-CB 4.07Å; I97-A134 HydrophobicContact CD1-CB 4.29Å; I97-Y137 HydrophobicContact CG2-CD2 3.96Å; I97-Y137 HydrophobicContact CG2-CG 4.23Å; I97-W152 HydrophobicContact CB-CB 4.24Å; I97-W152 PolarHBondContact N-O 3.42Å; I97-W152 PolarHBondContact O-N 2.91Å
98	G	94.5	Very high	90.4	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.9	-130.6	174.8	0	0	0	0	0	112.3	N77 Y137	N77-G98 WeakPolarHBondContact CA-O 3.43Å; N77-G98 PolarHBondContact ND2-O 2.89Å; N77-G98 PolarHBondContact O-N 2.87Å; G98-Y137 VanDerWaalsContact CA-CD1 3.46Å
99	W	84.2	Confident	90.7	Very high	116 Å²	116	43.4 Å²	43.4	44%	0.439	23%	0.231	S	C	.	.	S	Bend	trans	-86.9	174	165.3	-63.8	98.1	0	0	0	109.6	K106 K148 V151	W99-K106 HydrophobicContact CB-CD 4.35Å; W99-K106 VanDerWaalsContact CD1-NZ 3.29Å; W99-K106 VanDerWaalsContact CG-NZ 3.34Å; W99-K148 PolarHBondContact NE1-O 3.16Å; W99-V151 HydrophobicContact CB-CG2 4.45Å; W99-V151 WeakPolarHBondContact O-CG1 3.26Å; W99-V151 VanDerWaalsContact O-CG2 3.23Å; W99-V151 WeakPolarHBondContact O-CG2 3.43Å
100	S	85.4	Confident	91	Very high	44 Å²	44	41.4 Å²	41.4	31%	0.308	21%	0.211	S	C	.	.			trans	-78.2	143.8	-178	-171	0	0	0	0	112.9	E96 S102 E103	E96-S100 WeakPolarHBondContact OE1-CA 3.45Å; E96-S100 PolarHBondContact OE1-OG 2.57Å; S100-S102 PolarHBondContact O-N 2.96Å; S100-S102 VanDerWaalsContact O-N 3.14Å; S100-S102 PolarHBondContact OG-N 3.01Å; S100-S102 PolarHBondContact OG-OG 3.4Å; S100-S102 VanDerWaalsContact OG-OG 3.08Å; S100-E103 PolarHBondContact N-OE1 2.77Å; S100-E103 WeakPolarHBondContact O-CB 3.42Å; S100-E103 PolarHBondContact O-N 3.25Å
101	L	80.1	Confident	91.2	Very high	38 Å²	38	37.9 Å²	37.9	20%	0.199	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.1	166.4	-77.2	-178.9	0	0	0	113.7	E96 E103 L108 V151 F231	E96-L101 HydrophobicContact CG-CG 4.35Å; E96-L101 PolarHBondContact OE1-N 2.65Å; L101-E103 VanDerWaalsContact C-N 3.29Å; L101-L108 HydrophobicContact CD2-CB 4.15Å; L101-L108 HydrophobicContact CD2-CD1 4.11Å; L101-L108 HydrophobicContact CD2-CD2 4.42Å; L101-L108 HydrophobicContact CD2-CG 4.45Å; L101-V151 HydrophobicContact CD2-CB 3.94Å; L101-V151 HydrophobicContact CD2-CG1 3.64Å; L101-V151 HydrophobicContact CG-CG1 3.79Å; L101-F231 HydrophobicContact CD1-CE2 4.31Å; L101-F231 HydrophobicContact CD1-CZ 4.32Å
102	S	81.8	Confident	91.3	Very high	103 Å²	103	36.6 Å²	36.6	72%	0.72	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.8	175.2	63.3	0	0	0	0	113.6	S100	S100-S102 PolarHBondContact O-N 2.96Å; S100-S102 VanDerWaalsContact O-N 3.14Å; S100-S102 PolarHBondContact OG-N 3.01Å; S100-S102 PolarHBondContact OG-OG 3.4Å; S100-S102 VanDerWaalsContact OG-OG 3.08Å
103	E	81.4	Confident	91.3	Very high	67 Å²	67	36.6 Å²	36.6	31%	0.313	19%	0.19	S	C	.	.	S	Bend	trans	-76.2	137.8	177.9	-72.9	-179.7	-143.9	0	0	111.7	S100 L101 K106	S100-E103 PolarHBondContact N-OE1 2.77Å; S100-E103 WeakPolarHBondContact O-CB 3.42Å; S100-E103 PolarHBondContact O-N 3.25Å; L101-E103 VanDerWaalsContact C-N 3.29Å; E103-K106 HydrophobicContact CB-CG 3.81Å; E103-K106 WeakPolarHBondContact OE2-CE 3.29Å; E103-K106 IonicContact OE2-NZ 2.88Å; E103-K106 PolarHBondContact OE2-NZ 3.46Å
104	P	76	Confident	91.2	Very high	110 Å²	110	36.3 Å²	36.3	71%	0.714	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	148.9	178.7	26.5	-33.2	0	0	0	111.6	K106	P104-K106 VanDerWaalsContact C-N 3.26Å; P104-K106 PolarHBondContact O-N 2.73Å
105	K	75.9	Confident	91.1	Very high	209 Å²	209	36.3 Å²	36.3	91%	0.909	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	21.7	173.7	-52.1	-179.1	179.7	-177.7	0	115.3
106	K	86.3	Confident	91	Very high	46 Å²	46	38.1 Å²	38.1	20%	0.2	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-87.5	141.6	171.4	-60.2	-61	-178.1	166.7	0	111.3	W99 E103 P104 V151	W99-K106 HydrophobicContact CB-CD 4.35Å; W99-K106 VanDerWaalsContact CD1-NZ 3.29Å; W99-K106 VanDerWaalsContact CG-NZ 3.34Å; E103-K106 HydrophobicContact CB-CG 3.81Å; E103-K106 WeakPolarHBondContact OE2-CE 3.29Å; E103-K106 IonicContact OE2-NZ 2.88Å; E103-K106 PolarHBondContact OE2-NZ 3.46Å; P104-K106 VanDerWaalsContact C-N 3.26Å; P104-K106 PolarHBondContact O-N 2.73Å; K106-V151 HydrophobicContact CB-CG2 3.81Å; K106-V151 HydrophobicContact CG-CG2 4.12Å
107	S	94	Very high	90.7	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124	174.2	-69.3	0	0	0	0	109.6	S149 L150 V151 K240 S362	S107-S149 PolarHBondContact N-O 3.1Å; S107-L150 VanDerWaalsContact O-CA 3.32Å; S107-L150 WeakPolarHBondContact O-CA 3.41Å; S107-V151 PolarHBondContact O-N 3.17Å; S107-K240 WeakPolarHBondContact OG-CG 3.21Å; S107-S362 PolarHBondContact OG-OG 2.95Å
108	L	96.4	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.2	175.6	162.9	59.4	0	0	0	109.8	L101 V151 C153 F231 H235 A238 L239 K240 A241	L101-L108 HydrophobicContact CD2-CB 4.15Å; L101-L108 HydrophobicContact CD2-CD1 4.11Å; L101-L108 HydrophobicContact CD2-CD2 4.42Å; L101-L108 HydrophobicContact CD2-CG 4.45Å; L108-V151 WeakPolarHBondContact CA-O 3.33Å; L108-C153 HydrophobicContact CD1-CB 3.58Å; L108-C153 WeakPolarHBondContact CD1-SG 3.35Å; L108-F231 HydrophobicContact CD1-CZ 4.42Å; L108-F231 HydrophobicContact CD2-CE1 3.85Å; L108-F231 HydrophobicContact CD2-CZ 3.94Å; L108-H235 HydrophobicContact CD2-CB 3.57Å; L108-A238 HydrophobicContact CB-CB 4.15Å; L108-A238 WeakPolarHBondContact CB-O 3.21Å; L108-A238 PolarHBondContact N-O 3.36Å; L108-L239 HydrophobicContact CD2-CB 4.2Å; L108-L239 HydrophobicContact CD2-CD1 3.97Å; L108-L239 HydrophobicContact CG-CD1 3.8Å; L108-K240 PolarHBondContact O-N 3.03Å; L108-A241 PolarHBondContact O-N 3.4Å
109	F	98.1	Very high	90.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.8	170.6	-159.7	-63	0	0	0	109	I111 L150 V151 W152 C153 A241 I243 I351 V354 A355 V358	F109-I111 HydrophobicContact CD1-CD1 4.36Å; F109-I111 HydrophobicContact CD1-CG1 3.97Å; F109-I111 HydrophobicContact CE1-CD1 4.19Å; F109-I111 HydrophobicContact CE1-CG1 3.87Å; F109-L150 HydrophobicContact CD2-CD1 4.14Å; F109-V151 PolarHBondContact N-O 3.5Å; F109-W152 HydrophobicContact CB-CD2 4.36Å; F109-W152 HydrophobicContact CB-CE3 3.92Å; F109-W152 HydrophobicContact CB-CZ3 4.23Å; F109-W152 AromaticContact CD1-CE3 3.72Å; F109-W152 HydrophobicContact CD1-CE3 3.72Å; F109-W152 AromaticContact CD1-CZ3 3.53Å; F109-W152 HydrophobicContact CD1-CZ3 3.53Å; F109-W152 HydrophobicContact CD2-CH2 4.34Å; F109-W152 HydrophobicContact CD2-CZ3 4.03Å; F109-W152 HydrophobicContact CE1-CE3 4.43Å; F109-W152 AromaticContact CE1-CZ3 3.85Å; F109-W152 HydrophobicContact CE1-CZ3 3.85Å; F109-W152 HydrophobicContact CE2-CZ3 4.31Å; F109-W152 AromaticContact CG-CE3 3.8Å; F109-W152 HydrophobicContact CG-CE3 3.8Å; F109-W152 HydrophobicContact CG-CH2 4.35Å; F109-W152 AromaticContact CG-CZ3 3.64Å; F109-W152 HydrophobicContact CG-CZ3 3.64Å; F109-W152 HydrophobicContact CZ-CZ3 4.22Å; F109-W152 WeakPolarHBondContact O-CA 3.46Å; F109-C153 PolarHBondContact O-N 3.33Å; F109-A241 HydrophobicContact CD1-CB 4.2Å; F109-A241 HydrophobicContact CD2-CB 3.5Å; F109-A241 VanDerWaalsContact CD2-CB 3.5Å; F109-A241 HydrophobicContact CE1-CB 4.12Å; F109-A241 HydrophobicContact CE2-CB 3.4Å; F109-A241 VanDerWaalsContact CE2-CB 3.4Å; F109-A241 HydrophobicContact CG-CB 3.9Å; F109-A241 HydrophobicContact CZ-CB 3.74Å; F109-I243 HydrophobicContact CE1-CD1 3.8Å; F109-I243 HydrophobicContact CE1-CG1 4.13Å; F109-I243 HydrophobicContact CZ-CD1 3.7Å; F109-I243 HydrophobicContact CZ-CG1 4.31Å; F109-I351 HydrophobicContact CE1-CG2 4.1Å; F109-I351 HydrophobicContact CZ-CG2 4.03Å; F109-V354 HydrophobicContact CE2-CB 4.19Å; F109-V354 HydrophobicContact CE2-CG1 3.87Å; F109-V354 HydrophobicContact CZ-CB 4.02Å; F109-V354 HydrophobicContact CZ-CG1 3.82Å; F109-A355 HydrophobicContact CD2-CB 4.21Å; F109-A355 HydrophobicContact CE2-CB 3.85Å; F109-V358 HydrophobicContact CD2-CG2 4.17Å; F109-V358 HydrophobicContact CE2-CG2 4.16Å
110	W	98.7	Very high	90.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.2	178.9	176.8	-85.4	0	0	0	112.1	I83 M94 S112 C153 A155 F231 L239 A241 F242 I243	I83-W110 HydrophobicContact CD1-CH2 4.07Å; M94-W110 HydrophobicContact CE-CZ3 4.36Å; M94-W110 HydrophobicContact CG-CH2 4.16Å; M94-W110 HydrophobicContact CG-CZ3 3.78Å; W110-S112 VanDerWaalsContact NE1-CB 3.34Å; W110-S112 PolarHBondContact NE1-OG 2.97Å; W110-C153 WeakPolarHBondContact CA-O 3.34Å; W110-C153 HydrophobicContact CE3-CB 3.75Å; W110-C153 HydrophobicContact CZ3-CB 4.18Å; W110-A155 HydrophobicContact CH2-CB 3.88Å; W110-A155 HydrophobicContact CZ2-CB 3.75Å; W110-F231 HydrophobicContact CD2-CE1 4.26Å; W110-F231 AromaticContact CE3-CD1 3.6Å; W110-F231 HydrophobicContact CE3-CD1 3.6Å; W110-F231 AromaticContact CE3-CE1 3.18Å; W110-F231 HydrophobicContact CE3-CE1 3.18Å; W110-F231 AromaticContact CE3-CZ 3.87Å; W110-F231 HydrophobicContact CE3-CZ 3.87Å; W110-F231 HydrophobicContact CH2-CD1 4.08Å; W110-F231 HydrophobicContact CH2-CE1 4.4Å; W110-F231 HydrophobicContact CH2-CG 4.43Å; W110-F231 AromaticContact CZ3-CD1 3.32Å; W110-F231 HydrophobicContact CZ3-CD1 3.32Å; W110-F231 HydrophobicContact CZ3-CD2 4.31Å; W110-F231 AromaticContact CZ3-CE1 3.26Å; W110-F231 HydrophobicContact CZ3-CE1 3.26Å; W110-F231 HydrophobicContact CZ3-CE2 4.26Å; W110-F231 AromaticContact CZ3-CG 3.88Å; W110-F231 HydrophobicContact CZ3-CG 3.88Å; W110-F231 AromaticContact CZ3-CZ 3.76Å; W110-F231 HydrophobicContact CZ3-CZ 3.76Å; W110-L239 HydrophobicContact CB-CD1 3.82Å; W110-A241 PolarHBondContact N-O 2.94Å; W110-F242 HydrophobicContact CB-CD2 3.84Å; W110-F242 HydrophobicContact CB-CE2 4.42Å; W110-F242 AromaticContact CD1-CD2 3.2Å; W110-F242 AromaticContact CD1-CE2 3.05Å; W110-F242 AromaticContact CD1-CG 3.9Å; W110-F242 AromaticContact CD1-CZ 3.63Å; W110-F242 HydrophobicContact CD2-CE2 4.26Å; W110-F242 AromaticContact CE2-CE2 4Å; W110-F242 AromaticContact CG-CD2 3.59Å; W110-F242 HydrophobicContact CG-CD2 3.59Å; W110-F242 AromaticContact CG-CE2 3.69Å; W110-F242 HydrophobicContact CG-CE2 3.69Å; W110-F242 HydrophobicContact CG-CG 4.48Å; W110-F242 AromaticContact NE1-CD2 3.92Å; W110-F242 AromaticContact NE1-CE2 3.25Å; W110-F242 AromaticContact NE1-CZ 3.58Å; W110-I243 PolarHBondContact O-N 2.82Å
111	I	98.9	Very high	90.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.6	167.2	-55.1	172.9	0	0	0	109.1	F109 I129 W152 C153 I154 A155 I243 L245 I351	F109-I111 HydrophobicContact CD1-CD1 4.36Å; F109-I111 HydrophobicContact CD1-CG1 3.97Å; F109-I111 HydrophobicContact CE1-CD1 4.19Å; F109-I111 HydrophobicContact CE1-CG1 3.87Å; I111-I129 HydrophobicContact CD1-CG2 4.12Å; I111-W152 HydrophobicContact CD1-CE3 4.24Å; I111-W152 HydrophobicContact CD1-CZ3 4.24Å; I111-C153 PolarHBondContact N-O 3.15Å; I111-I154 HydrophobicContact CB-CG1 4.17Å; I111-I154 HydrophobicContact CB-CG2 4.08Å; I111-I154 HydrophobicContact CD1-CD1 4.21Å; I111-I154 HydrophobicContact CD1-CG1 4.38Å; I111-I154 HydrophobicContact CG2-CG2 4.31Å; I111-I154 CarbonylContact O-C 3.21Å; I111-I154 VanDerWaalsContact O-CA 3.24Å; I111-I154 WeakPolarHBondContact O-CA 3.3Å; I111-A155 PolarHBondContact O-N 2.85Å; I111-I243 CarbonylContact C-O 3.4Å; I111-I243 VanDerWaalsContact CA-O 3.28Å; I111-I243 WeakPolarHBondContact CA-O 3.21Å; I111-I243 HydrophobicContact CG1-CB 4.48Å; I111-L245 HydrophobicContact CG2-CD1 3.8Å; I111-L245 HydrophobicContact CG2-CG 4.03Å; I111-I351 HydrophobicContact CD1-CD1 4.32Å; I111-I351 HydrophobicContact CD1-CG2 4.13Å
112	S	98.6	Very high	91.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	157.6	168.9	43.9	0	0	0	0	112	W110 A155 L158 I243 D244 L245 M305	W110-S112 VanDerWaalsContact NE1-CB 3.34Å; W110-S112 PolarHBondContact NE1-OG 2.97Å; S112-A155 CarbonylContact C-O 3.5Å; S112-A155 WeakPolarHBondContact CA-O 3.33Å; S112-L158 VanDerWaalsContact CB-CD1 3.44Å; S112-I243 PolarHBondContact N-O 3.34Å; S112-D244 PolarHBondContact OG-OD1 3.35Å; S112-L245 WeakPolarHBondContact O-CB 3.33Å; S112-L245 WeakPolarHBondContact O-CG 3.34Å; S112-L245 PolarHBondContact O-N 3.37Å; S112-M305 WeakPolarHBondContact OG-CE 3.25Å
113	A	98.2	Very high	91.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166	172.6	0	0	0	0	0	111.5	V115 S122 A126 A155 L157 L158 L245	A113-V115 VanDerWaalsContact C-N 3.32Å; A113-V115 PolarHBondContact O-N 3.45Å; A113-S122 WeakPolarHBondContact CB-O 3.06Å; A113-A126 HydrophobicContact CB-CB 3.69Å; A113-A155 PolarHBondContact N-O 2.92Å; A113-L157 WeakPolarHBondContact O-CA 3.38Å; A113-L158 PolarHBondContact O-N 2.97Å; A113-L245 HydrophobicContact CB-CB 4.08Å; A113-L245 HydrophobicContact CB-CD1 4.47Å
114	G	95.4	Very high	92.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.			trans	61.7	37.6	172.6	0	0	0	0	0	113.6	S122 N159	G114-S122 PolarHBondContact N-OG 2.96Å; G114-S122 VanDerWaalsContact N-OG 3.09Å; G114-N159 WeakPolarHBondContact O-CB 3.44Å; G114-N159 PolarHBondContact O-N 2.9Å
115	V	96.9	Very high	93.2	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	9%	0.091	C	C	.	.	S	Bend	trans	-67.2	-44.7	168.1	174.8	0	0	0	0	109.7	A113 L158 N159 L193 N194 M305	A113-V115 VanDerWaalsContact C-N 3.32Å; A113-V115 PolarHBondContact O-N 3.45Å; V115-L158 HydrophobicContact CG2-CB 3.97Å; V115-L158 HydrophobicContact CG2-CD1 3.61Å; V115-L158 HydrophobicContact CG2-CG 4.32Å; V115-N159 WeakPolarHBondContact O-CB 3.3Å; V115-N159 PolarHBondContact O-ND2 3.44Å; V115-N159 VanDerWaalsContact O-ND2 3.07Å; V115-L193 HydrophobicContact CG1-CB 3.66Å; V115-N194 HydrophobicContact CG1-CB 4Å; V115-M305 HydrophobicContact CG2-CE 3.66Å
116	H	94.1	Very high	94.2	Very high	39 Å²	39	9.9 Å²	9.9	18%	0.181	5%	0.047	C	C	.	.	S	Bend	trans	-92.2	128.2	166.7	-57.2	149.2	0	0	0	110	R118 E119 D192 N194 H246	H116-R118 PolarHBondContact O-N 3.39Å; H116-E119 VanDerWaalsContact CB-CD 3.48Å; H116-E119 HydrophobicContact CB-CG 3.85Å; H116-E119 VanDerWaalsContact CB-OE1 3.26Å; H116-E119 WeakPolarHBondContact CB-OE1 3.34Å; H116-E119 IonicContact CE1-OE1 3.28Å; H116-E119 IonicContact CG-OE1 3.55Å; H116-E119 IonicContact ND1-OE1 3.03Å; H116-E119 PolarHBondContact ND1-OE1 3.15Å; H116-E119 IonicContact ND1-OE2 2.72Å; H116-E119 PolarHBondContact O-N 2.96Å; H116-D192 IonicContact CD2-OD1 2.69Å; H116-D192 IonicContact NE2-OD1 3.47Å; H116-D192 PolarHBondContact NE2-OD1 3.36Å; H116-D192 VanDerWaalsContact NE2-OD1 3.15Å; H116-D192 IonicContact NE2-OD2 3.61Å; H116-N194 WeakPolarHBondContact NE2-CB 3.5Å; H116-H246 AromaticContact CE1-CE1 3.44Å; H116-H246 PolarHBondContact CE1-CE1 3.48Å; H116-H246 VanDerWaalsContact CE1-CE1 3.44Å; H116-H246 AromaticContact CE1-ND1 3.66Å; H116-H246 AromaticContact CG-CE1 3.93Å; H116-H246 AromaticContact ND1-CE1 3.39Å; H116-H246 PolarHBondContact ND1-CE1 3.28Å; H116-H246 AromaticContact ND1-ND1 3.28Å; H116-H246 PolarHBondContact ND1-ND1 3.2Å; H116-H246 AromaticContact NE2-CE1 3.97Å
117	A	91.5	Very high	94.5	Very high	15 Å²	15	7.8 Å²	7.8	12%	0.124	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-34.8	-169.6	0	0	0	0	0	115.2	E119 W120 G162 T166	A117-E119 VanDerWaalsContact C-N 3.26Å; A117-E119 PolarHBondContact O-N 3.49Å; A117-W120 VanDerWaalsContact O-CD1 3.22Å; A117-W120 PolarHBondContact O-NE1 2.85Å; A117-G162 VanDerWaalsContact CB-O 3.31Å; A117-G162 WeakPolarHBondContact CB-O 3.33Å; A117-T166 HydrophobicContact CB-CG2 3.69Å; A117-T166 PolarHBondContact O-OG1 3.43Å
118	R	87.6	Confident	94.5	Very high	61 Å²	61	8.2 Å²	8.2	23%	0.23	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.5	-175.9	62.6	-177.6	172.2	-154.3	-4.6	113.9	H116 W120 E212 F333	H116-R118 PolarHBondContact O-N 3.39Å; R118-W120 VanDerWaalsContact C-N 3.26Å; R118-W120 PolarHBondContact O-N 3.25Å; R118-E212 IonicContact CZ-OE2 3.68Å; R118-E212 IonicContact NH1-OE1 2.93Å; R118-E212 IonicContact NH1-OE2 3.44Å; R118-E212 PolarHBondContact NH1-OE2 3.07Å; R118-E212 IonicContact NH2-OE2 2.61Å; R118-E212 PolarHBondContact NH2-OE2 3.35Å; R118-F333 HydrophobicContact CG-CD1 3.91Å; R118-F333 HydrophobicContact CG-CD2 4.41Å; R118-F333 HydrophobicContact CG-CE1 4.17Å; R118-F333 HydrophobicContact CG-CG 4.04Å
119	E	92.1	Very high	94.5	Very high	7 Å²	7	8.2 Å²	8.2	3%	0.033	4%	0.039	C	C	.	.			trans	-88.1	55.5	-171.5	-60.8	-177.2	-168.9	0	0	111.9	H116 A117 A121 S122 H246 T247 F333	H116-E119 VanDerWaalsContact CB-CD 3.48Å; H116-E119 HydrophobicContact CB-CG 3.85Å; H116-E119 VanDerWaalsContact CB-OE1 3.26Å; H116-E119 WeakPolarHBondContact CB-OE1 3.34Å; H116-E119 IonicContact CE1-OE1 3.28Å; H116-E119 IonicContact CG-OE1 3.55Å; H116-E119 IonicContact ND1-OE1 3.03Å; H116-E119 PolarHBondContact ND1-OE1 3.15Å; H116-E119 IonicContact ND1-OE2 2.72Å; H116-E119 PolarHBondContact O-N 2.96Å; A117-E119 VanDerWaalsContact C-N 3.26Å; A117-E119 PolarHBondContact O-N 3.49Å; E119-A121 PolarHBondContact O-N 3.36Å; E119-A121 VanDerWaalsContact O-N 3.1Å; E119-S122 WeakPolarHBondContact O-CB 3.24Å; E119-S122 PolarHBondContact O-N 3.19Å; E119-S122 PolarHBondContact O-OG 3.24Å; E119-H246 IonicContact OE1-ND1 3.94Å; E119-H246 WeakPolarHBondContact OE2-CA 3.45Å; E119-H246 VanDerWaalsContact OE2-CB 3.28Å; E119-H246 WeakPolarHBondContact OE2-CB 3.47Å; E119-H246 IonicContact OE2-CE1 3.36Å; E119-H246 IonicContact OE2-CG 2.61Å; E119-H246 IonicContact OE2-ND1 3.31Å; E119-H246 PolarHBondContact OE2-ND1 2.97Å; E119-T247 VanDerWaalsContact CA-OG1 3.25Å; E119-T247 WeakPolarHBondContact CA-OG1 3.29Å; E119-T247 HydrophobicContact CB-CG2 4.44Å; E119-T247 WeakPolarHBondContact CB-OG1 3.39Å; E119-T247 VanDerWaalsContact CG-O 3.23Å; E119-T247 WeakPolarHBondContact CG-O 3.26Å; E119-T247 VanDerWaalsContact CG-OG1 3.26Å; E119-T247 WeakPolarHBondContact CG-OG1 3.29Å; E119-T247 VanDerWaalsContact OE1-O 3.09Å; E119-T247 PolarHBondContact OE2-N 2.9Å; E119-F333 HydrophobicContact CG-CD1 3.96Å; E119-F333 HydrophobicContact CG-CE1 4Å
120	W	89.2	Confident	94.4	Very high	15 Å²	15	8.2 Å²	8.2	6%	0.057	4%	0.039	C	C	.	.	H	α-helix	trans	-58	-31	-167.5	-60.6	-16.5	0	0	0	114.6	I36 Y40 A117 R118 S122 S123 S124 Y163 T166 P172	I36-W120 HydrophobicContact CG1-CH2 4.45Å; Y40-W120 HydrophobicContact CE2-CH2 4.38Å; Y40-W120 HydrophobicContact CE2-CZ3 4.41Å; Y40-W120 WeakPolarHBondContact OH-CH2 3.5Å; A117-W120 VanDerWaalsContact O-CD1 3.22Å; A117-W120 PolarHBondContact O-NE1 2.85Å; R118-W120 VanDerWaalsContact C-N 3.26Å; R118-W120 PolarHBondContact O-N 3.25Å; W120-S122 PolarHBondContact O-N 3.37Å; W120-S123 PolarHBondContact O-N 3.44Å; W120-S124 PolarHBondContact O-N 2.85Å; W120-S124 VanDerWaalsContact O-N 3.07Å; W120-S124 PolarHBondContact O-OG 2.96Å; W120-Y163 HydrophobicContact CB-CE2 4.47Å; W120-Y163 AromaticContact CD1-CD2 3.93Å; W120-Y163 AromaticContact CD1-CE2 3.49Å; W120-Y163 VanDerWaalsContact CD1-CE2 3.49Å; W120-Y163 HydrophobicContact CG-CE2 4.16Å; W120-T166 PolarHBondContact NE1-OG1 2.76Å; W120-P172 HydrophobicContact CH2-CB 3.96Å; W120-P172 HydrophobicContact CH2-CG 4.05Å; W120-P172 HydrophobicContact CZ2-CB 3.64Å; W120-P172 HydrophobicContact CZ2-CG 4.25Å
121	A	90.9	Very high	94.1	Very high	4 Å²	4	9.2 Å²	9.2	3%	0.033	5%	0.045	C	C	.	.	H	α-helix	trans	-67.7	-23.4	178.3	0	0	0	0	0	112.7	E119 T125 T247 L335	E119-A121 PolarHBondContact O-N 3.36Å; E119-A121 VanDerWaalsContact O-N 3.1Å; A121-T125 VanDerWaalsContact O-CB 3.23Å; A121-T125 WeakPolarHBondContact O-CB 3.3Å; A121-T125 PolarHBondContact O-N 3.38Å; A121-T125 PolarHBondContact O-OG1 3.42Å; A121-T247 HydrophobicContact CB-CG2 3.81Å; A121-L335 HydrophobicContact CB-CB 4.25Å; A121-L335 HydrophobicContact CB-CD2 3.62Å
122	S	95.1	Very high	93.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.6	-53.2	172.2	70.2	0	0	0	0	111	A113 G114 E119 W120 S124 T125 A126 L245	A113-S122 WeakPolarHBondContact CB-O 3.06Å; G114-S122 PolarHBondContact N-OG 2.96Å; G114-S122 VanDerWaalsContact N-OG 3.09Å; E119-S122 WeakPolarHBondContact O-CB 3.24Å; E119-S122 PolarHBondContact O-N 3.19Å; E119-S122 PolarHBondContact O-OG 3.24Å; W120-S122 PolarHBondContact O-N 3.37Å; S122-S124 VanDerWaalsContact C-N 3.33Å; S122-S124 PolarHBondContact O-N 3.43Å; S122-T125 WeakPolarHBondContact O-CB 3.38Å; S122-T125 PolarHBondContact O-N 2.77Å; S122-A126 PolarHBondContact O-N 2.89Å; S122-L245 VanDerWaalsContact CB-O 3.27Å; S122-L245 WeakPolarHBondContact CB-O 3.41Å
123	S	94.5	Very high	93.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.6	-41.3	179.1	-50.1	0	0	0	0	111.3	W120 T125 A126 I127 P156 L157	W120-S123 PolarHBondContact O-N 3.44Å; S123-T125 VanDerWaalsContact C-N 3.32Å; S123-T125 PolarHBondContact O-N 3Å; S123-A126 PolarHBondContact O-N 3.46Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.46Å; S123-I127 PolarHBondContact O-N 3.3Å; S123-P156 WeakPolarHBondContact CA-O 3.33Å; S123-P156 VanDerWaalsContact CB-O 3.29Å; S123-P156 WeakPolarHBondContact CB-O 3.34Å; S123-P156 PolarHBondContact OG-O 3.28Å; S123-L157 WeakPolarHBondContact OG-CD1 3.4Å
124	S	90.9	Very high	93.6	Very high	8 Å²	8	12.3 Å²	12.3	6%	0.056	6%	0.058	C	C	.	.	H	α-helix	trans	-62.6	-40.2	177.1	-57.9	0	0	0	0	111.8	W120 S122 I127 F128	W120-S124 PolarHBondContact O-N 2.85Å; W120-S124 VanDerWaalsContact O-N 3.07Å; W120-S124 PolarHBondContact O-OG 2.96Å; S122-S124 VanDerWaalsContact C-N 3.33Å; S122-S124 PolarHBondContact O-N 3.43Å; S124-I127 PolarHBondContact O-N 3.19Å; S124-F128 PolarHBondContact O-N 2.81Å
125	T	93.9	Very high	93.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.8	-43.7	175.1	-64.3	0	0	0	0	111.5	A121 S122 S123 I127 F128 I129 L245 L323 A344 T347	A121-T125 VanDerWaalsContact O-CB 3.23Å; A121-T125 WeakPolarHBondContact O-CB 3.3Å; A121-T125 PolarHBondContact O-N 3.38Å; A121-T125 PolarHBondContact O-OG1 3.42Å; S122-T125 WeakPolarHBondContact O-CB 3.38Å; S122-T125 PolarHBondContact O-N 2.77Å; S123-T125 VanDerWaalsContact C-N 3.32Å; S123-T125 PolarHBondContact O-N 3Å; T125-I127 VanDerWaalsContact C-N 3.34Å; T125-I127 PolarHBondContact O-N 3.31Å; T125-F128 WeakPolarHBondContact O-CB 3.28Å; T125-F128 PolarHBondContact O-N 3.44Å; T125-I129 HydrophobicContact CG2-CD1 3.99Å; T125-I129 VanDerWaalsContact O-CG1 3.31Å; T125-I129 WeakPolarHBondContact O-CG1 3.35Å; T125-I129 PolarHBondContact O-N 3.29Å; T125-L245 HydrophobicContact CG2-CD1 4.05Å; T125-L323 HydrophobicContact CG2-CD1 4.14Å; T125-A344 HydrophobicContact CG2-CB 4.18Å; T125-T347 HydrophobicContact CG2-CG2 3.95Å
126	A	96.8	Very high	93.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-43.5	175.5	0	0	0	0	0	111.9	A113 S122 S123 F128 I129 I130 I154 P156 L245	A113-A126 HydrophobicContact CB-CB 3.69Å; S122-A126 PolarHBondContact O-N 2.89Å; S123-A126 PolarHBondContact O-N 3.46Å; A126-F128 PolarHBondContact O-N 3.01Å; A126-I129 PolarHBondContact O-N 3.21Å; A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.31Å; A126-I130 PolarHBondContact O-N 3.37Å; A126-I154 HydrophobicContact CB-CG2 4.24Å; A126-P156 HydrophobicContact CB-CB 3.99Å; A126-L245 HydrophobicContact CB-CD1 4.35Å
127	I	93.9	Very high	93.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-62.1	-41.4	176.7	-71.3	-68.4	0	0	0	112.2	L54 L57 M63 F66 S123 S124 T125 I129 I130 D131 P156	L54-I127 HydrophobicContact CD2-CG2 4.29Å; L57-I127 HydrophobicContact CB-CG2 4.44Å; L57-I127 HydrophobicContact CD1-CG2 3.38Å; L57-I127 HydrophobicContact CG-CG2 4.49Å; M63-I127 HydrophobicContact CB-CD1 4.04Å; M63-I127 HydrophobicContact CG-CD1 4.05Å; M63-I127 HydrophobicContact CG-CG1 4.26Å; F66-I127 HydrophobicContact CD1-CD1 4.18Å; F66-I127 HydrophobicContact CD1-CG2 4.12Å; F66-I127 HydrophobicContact CE1-CG2 3.99Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.46Å; S123-I127 PolarHBondContact O-N 3.3Å; S124-I127 PolarHBondContact O-N 3.19Å; T125-I127 VanDerWaalsContact C-N 3.34Å; T125-I127 PolarHBondContact O-N 3.31Å; I127-I129 VanDerWaalsContact C-N 3.33Å; I127-I129 PolarHBondContact O-N 3.34Å; I127-I130 HydrophobicContact CD1-CD1 4.3Å; I127-I130 PolarHBondContact O-N 3.36Å; I127-D131 PolarHBondContact O-N 3.08Å; I127-P156 HydrophobicContact CD1-CB 3.8Å; I127-P156 HydrophobicContact CD1-CG 4.09Å; I127-P156 HydrophobicContact CG1-CB 4.05Å
128	F	93.1	Very high	93.6	Very high	19 Å²	19	15 Å²	15	8%	0.083	8%	0.075	C	C	.	.	H	α-helix	trans	-59.4	-44.1	173.1	171.9	-88.6	0	0	0	111.9	S124 T125 A126 D131 K132 L341 A344 R345 W348	S124-F128 PolarHBondContact O-N 2.81Å; T125-F128 WeakPolarHBondContact O-CB 3.28Å; T125-F128 PolarHBondContact O-N 3.44Å; A126-F128 PolarHBondContact O-N 3.01Å; F128-D131 PolarHBondContact O-N 3.41Å; F128-K132 HydrophobicContact CE1-CD 4.14Å; F128-K132 HydrophobicContact CZ-CD 4.4Å; F128-K132 WeakPolarHBondContact O-CB 3.38Å; F128-K132 PolarHBondContact O-N 3.31Å; F128-L341 HydrophobicContact CD2-CD2 3.87Å; F128-L341 HydrophobicContact CE2-CD2 3.99Å; F128-A344 HydrophobicContact CB-CB 3.71Å; F128-A344 HydrophobicContact CD1-CB 3.63Å; F128-A344 HydrophobicContact CD2-CB 4.17Å; F128-A344 HydrophobicContact CE1-CB 4.31Å; F128-A344 HydrophobicContact CG-CB 3.56Å; F128-R345 HydrophobicContact CE1-CG 4.34Å; F128-R345 HydrophobicContact CE2-CG 4.2Å; F128-R345 HydrophobicContact CZ-CG 3.68Å; F128-W348 HydrophobicContact CE1-CB 4.22Å
129	I	96.1	Very high	94	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-43.1	179	-65.8	166.1	0	0	0	110.5	I111 T125 A126 I127 K132 L133 I154 L245 W348 I351	I111-I129 HydrophobicContact CD1-CG2 4.12Å; T125-I129 HydrophobicContact CG2-CD1 3.99Å; T125-I129 VanDerWaalsContact O-CG1 3.31Å; T125-I129 WeakPolarHBondContact O-CG1 3.35Å; T125-I129 PolarHBondContact O-N 3.29Å; A126-I129 PolarHBondContact O-N 3.21Å; I127-I129 VanDerWaalsContact C-N 3.33Å; I127-I129 PolarHBondContact O-N 3.34Å; I129-K132 PolarHBondContact O-N 3.19Å; I129-L133 HydrophobicContact CG2-CD1 3.68Å; I129-L133 HydrophobicContact CG2-CG 4.32Å; I129-L133 WeakPolarHBondContact O-CB 3.41Å; I129-L133 WeakPolarHBondContact O-CG 3.35Å; I129-L133 PolarHBondContact O-N 2.81Å; I129-I154 HydrophobicContact CG2-CD1 3.81Å; I129-L245 HydrophobicContact CD1-CD1 4.42Å; I129-W348 HydrophobicContact CB-CE3 4.29Å; I129-W348 HydrophobicContact CD1-CE3 4.24Å; I129-W348 HydrophobicContact CG1-CB 4.32Å; I129-W348 HydrophobicContact CG1-CD2 4.45Å; I129-W348 HydrophobicContact CG1-CE3 3.83Å; I129-W348 HydrophobicContact CG2-CE3 3.61Å; I129-W348 HydrophobicContact CG2-CZ3 3.61Å; I129-I351 HydrophobicContact CD1-CD1 3.59Å
130	I	96.3	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-55.8	-52	175.2	-73.5	168	0	0	0	110.8	F66 M67 L70 I95 I97 A126 I127 K132 L133 A134 I154 P156	F66-I130 HydrophobicContact CE1-CG2 4.17Å; M67-I130 HydrophobicContact SD-CD1 4.23Å; L70-I130 HydrophobicContact CD1-CG2 3.5Å; L70-I130 VanDerWaalsContact CD1-CG2 3.5Å; I95-I130 HydrophobicContact CD1-CG2 3.81Å; I95-I130 HydrophobicContact CG2-CB 4.41Å; I95-I130 HydrophobicContact CG2-CD1 3.6Å; I95-I130 HydrophobicContact CG2-CG1 3.58Å; I95-I130 HydrophobicContact CG2-CG2 4Å; I97-I130 HydrophobicContact CD1-CG2 4.29Å; A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.31Å; A126-I130 PolarHBondContact O-N 3.37Å; I127-I130 HydrophobicContact CD1-CD1 4.3Å; I127-I130 PolarHBondContact O-N 3.36Å; I130-K132 VanDerWaalsContact C-N 3.33Å; I130-K132 PolarHBondContact O-N 3.5Å; I130-L133 PolarHBondContact O-N 3.36Å; I130-A134 WeakPolarHBondContact O-CB 3.36Å; I130-A134 PolarHBondContact O-N 2.85Å; I130-I154 HydrophobicContact CD1-CB 4.08Å; I130-I154 HydrophobicContact CD1-CG2 3.73Å; I130-I154 HydrophobicContact CG1-CB 3.83Å; I130-I154 HydrophobicContact CG1-CD1 3.82Å; I130-I154 HydrophobicContact CG1-CG1 4.39Å; I130-I154 HydrophobicContact CG1-CG2 3.7Å; I130-P156 HydrophobicContact CD1-CB 3.87Å; I130-P156 HydrophobicContact CD1-CG 3.92Å
131	D	92	Very high	94.4	Very high	21 Å²	21	20.2 Å²	20.2	11%	0.112	12%	0.118	C	C	.	.	H	α-helix	trans	-57.7	-47.5	179.6	-176.3	54.6	0	0	0	111.6	Y49 F66 I127 F128 K135	Y49-D131 VanDerWaalsContact CE1-OD2 3.29Å; Y49-D131 WeakPolarHBondContact CE1-OD2 3.31Å; F66-D131 HydrophobicContact CE1-CB 4.25Å; F66-D131 HydrophobicContact CZ-CB 3.72Å; I127-D131 PolarHBondContact O-N 3.08Å; F128-D131 PolarHBondContact O-N 3.41Å; D131-K135 WeakPolarHBondContact O-CB 3.21Å; D131-K135 WeakPolarHBondContact O-CG 3.49Å; D131-K135 PolarHBondContact O-N 3.27Å; D131-K135 VanDerWaalsContact O-N 3.11Å; D131-K135 WeakPolarHBondContact OD1-CE 3.31Å; D131-K135 IonicContact OD1-NZ 3.01Å; D131-K135 PolarHBondContact OD1-NZ 2.9Å; D131-K135 IonicContact OD2-NZ 3.95Å; D131-K135 PolarHBondContact OD2-NZ 2.94Å
132	K	93	Very high	94.6	Very high	65 Å²	65	27.7 Å²	27.7	28%	0.283	15%	0.146	S	C	.	.	H	α-helix	trans	-62	-48.1	-178.4	-168.8	177.4	-175.5	71.7	0	111.5	F128 I129 I130 E136 W348	F128-K132 HydrophobicContact CE1-CD 4.14Å; F128-K132 HydrophobicContact CZ-CD 4.4Å; F128-K132 WeakPolarHBondContact O-CB 3.38Å; F128-K132 PolarHBondContact O-N 3.31Å; I129-K132 PolarHBondContact O-N 3.19Å; I130-K132 VanDerWaalsContact C-N 3.33Å; I130-K132 PolarHBondContact O-N 3.5Å; K132-E136 WeakPolarHBondContact O-CB 3.5Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 3.25Å; K132-W348 HydrophobicContact CD-CD2 4.33Å; K132-W348 HydrophobicContact CD-CG 4.08Å; K132-W348 VanDerWaalsContact CE-CD1 3.43Å
133	L	96.6	Very high	94.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-44.8	180	-75.7	171.4	0	0	0	111.9	I97 I129 I130 K135 E136 Y137 W152 I154 W348	I97-L133 HydrophobicContact CD1-CB 3.91Å; I97-L133 HydrophobicContact CG2-CB 4.07Å; I129-L133 HydrophobicContact CG2-CD1 3.68Å; I129-L133 HydrophobicContact CG2-CG 4.32Å; I129-L133 WeakPolarHBondContact O-CB 3.41Å; I129-L133 WeakPolarHBondContact O-CG 3.35Å; I129-L133 PolarHBondContact O-N 2.81Å; I130-L133 PolarHBondContact O-N 3.36Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 2.83Å; L133-E136 PolarHBondContact O-N 2.93Å; L133-Y137 HydrophobicContact CD2-CD2 4.44Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 WeakPolarHBondContact O-CD2 3.47Å; L133-Y137 PolarHBondContact O-N 2.8Å; L133-W152 HydrophobicContact CD1-CB 4.14Å; L133-W152 HydrophobicContact CD1-CD2 3.59Å; L133-W152 HydrophobicContact CD1-CE3 3.81Å; L133-W152 HydrophobicContact CD1-CG 3.74Å; L133-W152 HydrophobicContact CD1-CZ3 4.4Å; L133-W152 HydrophobicContact CD2-CD2 4.24Å; L133-W152 HydrophobicContact CD2-CG 4.47Å; L133-W152 HydrophobicContact CD2-CZ2 4.14Å; L133-I154 HydrophobicContact CD1-CD1 3.85Å; L133-W348 HydrophobicContact CD1-CH2 4.07Å; L133-W348 HydrophobicContact CD1-CZ3 4.15Å; L133-W348 HydrophobicContact CD2-CH2 3.66Å; L133-W348 HydrophobicContact CD2-CZ2 4.07Å; L133-W348 HydrophobicContact CG-CH2 3.96Å; L133-W348 HydrophobicContact CG-CZ2 4.48Å; L133-W348 HydrophobicContact CG-CZ3 4.39Å
134	A	95	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-44	-179.6	0	0	0	0	0	111.6	L70 Y74 V78 I97 I130 G138	L70-A134 HydrophobicContact CB-CB 4.26Å; L70-A134 HydrophobicContact CD1-CB 3.82Å; L70-A134 HydrophobicContact CD2-CB 4Å; L70-A134 HydrophobicContact CG-CB 4.26Å; Y74-A134 HydrophobicContact CD2-CB 4.34Å; V78-A134 HydrophobicContact CG2-CB 3.9Å; I97-A134 HydrophobicContact CD1-CB 4.29Å; I130-A134 WeakPolarHBondContact O-CB 3.36Å; I130-A134 PolarHBondContact O-N 2.85Å; A134-G138 PolarHBondContact O-N 3.34Å
135	K	92.4	Very high	94.7	Very high	25 Å²	25	35.7 Å²	35.7	11%	0.109	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-48.6	174.9	-71.8	169.9	177.8	160.5	0	112.1	Y49 Y74 D131 L133 Y137 G138 E139	Y49-K135 WeakPolarHBondContact OH-CD 3.36Å; Y49-K135 PolarHBondContact OH-NZ 3.24Å; Y74-K135 HydrophobicContact CE2-CG 4.18Å; D131-K135 WeakPolarHBondContact O-CB 3.21Å; D131-K135 WeakPolarHBondContact O-CG 3.49Å; D131-K135 PolarHBondContact O-N 3.27Å; D131-K135 VanDerWaalsContact O-N 3.11Å; D131-K135 WeakPolarHBondContact OD1-CE 3.31Å; D131-K135 IonicContact OD1-NZ 3.01Å; D131-K135 PolarHBondContact OD1-NZ 2.9Å; D131-K135 IonicContact OD2-NZ 3.95Å; D131-K135 PolarHBondContact OD2-NZ 2.94Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 2.83Å; K135-Y137 VanDerWaalsContact C-N 3.34Å; K135-Y137 PolarHBondContact O-N 2.89Å; K135-G138 PolarHBondContact O-N 2.86Å; K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.39Å; K135-E139 WeakPolarHBondContact O-CG 3.32Å; K135-E139 PolarHBondContact O-N 3.4Å
136	E	95.2	Very high	94.8	Very high	49 Å²	49	39 Å²	39	23%	0.229	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-42.7	179.7	-74	-86.1	167	0	0	112.3	K132 L133 G140 G141 R142 L143 A144	K132-E136 WeakPolarHBondContact O-CB 3.5Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 3.25Å; L133-E136 PolarHBondContact O-N 2.93Å; E136-G140 PolarHBondContact O-N 2.93Å; E136-G141 WeakPolarHBondContact O-CA 3.24Å; E136-G141 PolarHBondContact O-N 2.94Å; E136-G141 VanDerWaalsContact OE2-C 3.31Å; E136-G141 WeakPolarHBondContact OE2-CA 3.45Å; E136-R142 PolarHBondContact OE2-N 3.02Å; E136-L143 HydrophobicContact CB-CB 4.06Å; E136-L143 HydrophobicContact CG-CB 3.96Å; E136-L143 HydrophobicContact CG-CD1 3.82Å; E136-L143 HydrophobicContact CG-CG 4.11Å; E136-L143 WeakPolarHBondContact OE2-CB 3.48Å; E136-L143 PolarHBondContact OE2-N 3.4Å; E136-A144 VanDerWaalsContact O-CB 3.31Å; E136-A144 WeakPolarHBondContact O-CB 3.36Å
137	Y	96.3	Very high	94.7	Very high	12 Å²	12	39.1 Å²	39.1	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-74.9	-42.2	177	-81.4	-94.4	0	0	0	112.8	I97 G98 L133 K135 E139 G140 A144 F147 W152	I97-Y137 HydrophobicContact CG2-CD2 3.96Å; I97-Y137 HydrophobicContact CG2-CG 4.23Å; G98-Y137 VanDerWaalsContact CA-CD1 3.46Å; L133-Y137 HydrophobicContact CD2-CD2 4.44Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 WeakPolarHBondContact O-CD2 3.47Å; L133-Y137 PolarHBondContact O-N 2.8Å; K135-Y137 VanDerWaalsContact C-N 3.34Å; K135-Y137 PolarHBondContact O-N 2.89Å; Y137-E139 VanDerWaalsContact C-N 3.26Å; Y137-E139 PolarHBondContact O-N 3.23Å; Y137-G140 PolarHBondContact O-N 2.88Å; Y137-A144 HydrophobicContact CD1-CB 3.7Å; Y137-A144 HydrophobicContact CD2-CB 4.08Å; Y137-A144 HydrophobicContact CE1-CB 4.07Å; Y137-A144 HydrophobicContact CE2-CB 4.38Å; Y137-A144 HydrophobicContact CG-CB 3.76Å; Y137-F147 WeakPolarHBondContact OH-CB 3.35Å; Y137-F147 PolarHBondContact OH-O 2.77Å; Y137-W152 AromaticContact CE2-CD1 3.8Å; Y137-W152 AromaticContact CE2-NE1 3.6Å; Y137-W152 AromaticContact CZ-CD1 3.94Å; Y137-W152 AromaticContact CZ-NE1 3.69Å; Y137-W152 PolarHBondContact OH-NE1 3.36Å
138	G	95.4	Very high	94.7	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-28.8	180	0	0	0	0	0	114.2	A134 K135	A134-G138 PolarHBondContact O-N 3.34Å; K135-G138 PolarHBondContact O-N 2.86Å
139	E	94.8	Very high	94.6	Very high	130 Å²	130	46.1 Å²	46.1	61%	0.607	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	2.9	-177.3	-61.9	169.8	-172.2	0	0	112.7	Y74 K135 Y137	Y74-E139 HydrophobicContact CE1-CG 4.02Å; Y74-E139 PolarHBondContact OH-OE1 2.89Å; K135-E139 VanDerWaalsContact O-CB 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.39Å; K135-E139 WeakPolarHBondContact O-CG 3.32Å; K135-E139 PolarHBondContact O-N 3.4Å; Y137-E139 VanDerWaalsContact C-N 3.26Å; Y137-E139 PolarHBondContact O-N 3.23Å
140	G	94.5	Very high	94.6	Very high	42 Å²	42	46.1 Å²	46.1	43%	0.433	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	39.4	-179.4	0	0	0	0	0	113	E136 Y137 R145	E136-G140 PolarHBondContact O-N 2.93Å; Y137-G140 PolarHBondContact O-N 2.88Å; G140-R145 PolarHBondContact O-NH1 3.39Å
141	G	96	Very high	94.7	Very high	19 Å²	19	46.1 Å²	46.1	20%	0.196	23%	0.228	C	C	.	.			trans	-68	-177.5	178.9	0	0	0	0	0	114.4	E136 R145	E136-G141 WeakPolarHBondContact O-CA 3.24Å; E136-G141 PolarHBondContact O-N 2.94Å; E136-G141 VanDerWaalsContact OE2-C 3.31Å; E136-G141 WeakPolarHBondContact OE2-CA 3.45Å; G141-R145 PolarHBondContact O-N 3.35Å; G141-R145 PolarHBondContact O-NH1 2.68Å
142	R	95.8	Very high	95	Very high	162 Å²	162	45.1 Å²	45.1	61%	0.611	22%	0.223	S	C	*	.	H	α-helix	trans	-67.5	-43.5	-177.3	-177.6	-179.9	66.6	131.2	1.2	111.1	E136 A144 R145 E146	E136-R142 PolarHBondContact OE2-N 3.02Å; R142-A144 VanDerWaalsContact C-N 3.28Å; R142-A144 PolarHBondContact O-N 3.22Å; R142-R145 PolarHBondContact O-N 2.73Å; R142-R145 VanDerWaalsContact O-N 3.15Å; R142-E146 WeakPolarHBondContact O-CB 3.49Å; R142-E146 PolarHBondContact O-N 3.46Å
143	L	93.4	Very high	95.3	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-35.1	-176.7	-61.9	-179.8	0	0	0	111.4	E136 R145 E146 F147 W348	E136-L143 HydrophobicContact CB-CB 4.06Å; E136-L143 HydrophobicContact CG-CB 3.96Å; E136-L143 HydrophobicContact CG-CD1 3.82Å; E136-L143 HydrophobicContact CG-CG 4.11Å; E136-L143 WeakPolarHBondContact OE2-CB 3.48Å; E136-L143 PolarHBondContact OE2-N 3.4Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 3Å; L143-E146 PolarHBondContact O-N 3.26Å; L143-F147 HydrophobicContact CB-CD2 4.36Å; L143-F147 HydrophobicContact CD2-CE2 4.03Å; L143-F147 WeakPolarHBondContact O-CB 3.45Å; L143-F147 PolarHBondContact O-N 3.08Å; L143-W348 HydrophobicContact CD1-CZ2 3.89Å
144	A	94.2	Very high	95.4	Very high	12 Å²	12	42 Å²	42	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-36.1	175.2	0	0	0	0	0	113.1	E136 Y137 R142 K148	E136-A144 VanDerWaalsContact O-CB 3.31Å; E136-A144 WeakPolarHBondContact O-CB 3.36Å; Y137-A144 HydrophobicContact CD1-CB 3.7Å; Y137-A144 HydrophobicContact CD2-CB 4.08Å; Y137-A144 HydrophobicContact CE1-CB 4.07Å; Y137-A144 HydrophobicContact CE2-CB 4.38Å; Y137-A144 HydrophobicContact CG-CB 3.76Å; R142-A144 VanDerWaalsContact C-N 3.28Å; R142-A144 PolarHBondContact O-N 3.22Å; A144-K148 VanDerWaalsContact O-CA 3.24Å; A144-K148 WeakPolarHBondContact O-CA 3.46Å; A144-K148 WeakPolarHBondContact O-CB 3.36Å; A144-K148 PolarHBondContact O-N 2.98Å; A144-K148 VanDerWaalsContact O-N 3.16Å
145	R	94.7	Very high	95.5	Very high	159 Å²	159	42 Å²	42	60%	0.6	21%	0.209	S	C	*	.	H	α-helix	trans	-72.7	-43.6	174.7	-70.3	-171.1	-67.7	-82.9	0.8	111.9	G140 G141 R142 L143	G140-R145 PolarHBondContact O-NH1 3.39Å; G141-R145 PolarHBondContact O-N 3.35Å; G141-R145 PolarHBondContact O-NH1 2.68Å; R142-R145 PolarHBondContact O-N 2.73Å; R142-R145 VanDerWaalsContact O-N 3.15Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 3Å
146	E	95	Very high	95.7	Very high	71 Å²	71	41 Å²	41	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-44.8	-178.9	-172.3	171.3	178.7	0	0	111.6	R142 L143	R142-E146 WeakPolarHBondContact O-CB 3.49Å; R142-E146 PolarHBondContact O-N 3.46Å; L143-E146 PolarHBondContact O-N 3.26Å
147	F	95.2	Very high	95.8	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	28.3	-178.5	-56.1	-46.9	0	0	0	113	Y137 L143 S149 L150 W152 Q352 A355 E356 V359	Y137-F147 WeakPolarHBondContact OH-CB 3.35Å; Y137-F147 PolarHBondContact OH-O 2.77Å; L143-F147 HydrophobicContact CB-CD2 4.36Å; L143-F147 HydrophobicContact CD2-CE2 4.03Å; L143-F147 WeakPolarHBondContact O-CB 3.45Å; L143-F147 PolarHBondContact O-N 3.08Å; F147-S149 PolarHBondContact O-N 3.38Å; F147-L150 HydrophobicContact CB-CB 4.35Å; F147-L150 HydrophobicContact CB-CD1 3.96Å; F147-L150 HydrophobicContact CB-CG 4.13Å; F147-L150 HydrophobicContact CD1-CD1 4.08Å; F147-L150 HydrophobicContact CG-CD1 4.16Å; F147-L150 WeakPolarHBondContact O-CB 3.5Å; F147-L150 PolarHBondContact O-N 2.9Å; F147-W152 HydrophobicContact CB-CZ2 4.14Å; F147-W152 AromaticContact CD2-CZ2 3.78Å; F147-W152 HydrophobicContact CD2-CZ2 3.78Å; F147-W152 HydrophobicContact CE2-CZ2 4.4Å; F147-W152 HydrophobicContact CG-CZ2 4.01Å; F147-Q352 HydrophobicContact CE2-CG 4.33Å; F147-Q352 HydrophobicContact CZ-CB 4.35Å; F147-Q352 HydrophobicContact CZ-CG 4.47Å; F147-A355 HydrophobicContact CD1-CB 4.05Å; F147-A355 HydrophobicContact CE1-CB 3.71Å; F147-A355 HydrophobicContact CE2-CB 4.4Å; F147-A355 HydrophobicContact CZ-CB 3.91Å; F147-E356 HydrophobicContact CE1-CG 4Å; F147-E356 HydrophobicContact CZ-CG 4.2Å; F147-V359 HydrophobicContact CD1-CG2 4.08Å
148	K	93	Very high	95.8	Very high	137 Å²	137	38.6 Å²	38.6	60%	0.596	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.1	-176	70	177.8	-176.9	177.6	0	115.2	W99 A144	W99-K148 PolarHBondContact NE1-O 3.16Å; A144-K148 VanDerWaalsContact O-CA 3.24Å; A144-K148 WeakPolarHBondContact O-CA 3.46Å; A144-K148 WeakPolarHBondContact O-CB 3.36Å; A144-K148 PolarHBondContact O-N 2.98Å; A144-K148 VanDerWaalsContact O-N 3.16Å
149	S	92.7	Very high	95.9	Very high	32 Å²	32	38.5 Å²	38.5	22%	0.224	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.8	177.6	55.5	0	0	0	0	113.3	S107 F147	S107-S149 PolarHBondContact N-O 3.1Å; F147-S149 PolarHBondContact O-N 3.38Å
150	L	96	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.2	179.5	-55	-170.4	0	0	0	111.2	S107 F109 F147 W152 A355 V358 V359	S107-L150 VanDerWaalsContact O-CA 3.32Å; S107-L150 WeakPolarHBondContact O-CA 3.41Å; F109-L150 HydrophobicContact CD2-CD1 4.14Å; F147-L150 HydrophobicContact CB-CB 4.35Å; F147-L150 HydrophobicContact CB-CD1 3.96Å; F147-L150 HydrophobicContact CB-CG 4.13Å; F147-L150 HydrophobicContact CD1-CD1 4.08Å; F147-L150 HydrophobicContact CG-CD1 4.16Å; F147-L150 WeakPolarHBondContact O-CB 3.5Å; F147-L150 PolarHBondContact O-N 2.9Å; L150-W152 HydrophobicContact CD1-CH2 4.25Å; L150-W152 HydrophobicContact CD1-CZ2 3.79Å; L150-A355 HydrophobicContact CD1-CB 3.81Å; L150-V358 HydrophobicContact CD2-CB 4.32Å; L150-V358 HydrophobicContact CD2-CG1 3.6Å; L150-V359 HydrophobicContact CD1-CG2 4.21Å; L150-V359 HydrophobicContact CD2-CG2 4.04Å; L150-V359 HydrophobicContact CG-CG2 4.02Å
151	V	97.2	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.6	162.4	-178.5	0	0	0	0	106.9	E96 W99 L101 K106 S107 L108 F109	E96-V151 HydrophobicContact CG-CG1 3.69Å; W99-V151 HydrophobicContact CB-CG2 4.45Å; W99-V151 WeakPolarHBondContact O-CG1 3.26Å; W99-V151 VanDerWaalsContact O-CG2 3.23Å; W99-V151 WeakPolarHBondContact O-CG2 3.43Å; L101-V151 HydrophobicContact CD2-CB 3.94Å; L101-V151 HydrophobicContact CD2-CG1 3.64Å; L101-V151 HydrophobicContact CG-CG1 3.79Å; K106-V151 HydrophobicContact CB-CG2 3.81Å; K106-V151 HydrophobicContact CG-CG2 4.12Å; S107-V151 PolarHBondContact O-N 3.17Å; L108-V151 WeakPolarHBondContact CA-O 3.33Å; F109-V151 PolarHBondContact N-O 3.5Å
152	W	98.3	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.2	-178.4	-57.5	87.1	0	0	0	108.9	E96 I97 F109 I111 L133 Y137 F147 L150 W348 I351 A355	E96-W152 CarbonylContact C-O 3.59Å; E96-W152 VanDerWaalsContact CA-O 3.3Å; E96-W152 WeakPolarHBondContact CA-O 3.45Å; I97-W152 HydrophobicContact CB-CB 4.24Å; I97-W152 PolarHBondContact N-O 3.42Å; I97-W152 PolarHBondContact O-N 2.91Å; F109-W152 HydrophobicContact CB-CD2 4.36Å; F109-W152 HydrophobicContact CB-CE3 3.92Å; F109-W152 HydrophobicContact CB-CZ3 4.23Å; F109-W152 AromaticContact CD1-CE3 3.72Å; F109-W152 HydrophobicContact CD1-CE3 3.72Å; F109-W152 AromaticContact CD1-CZ3 3.53Å; F109-W152 HydrophobicContact CD1-CZ3 3.53Å; F109-W152 HydrophobicContact CD2-CH2 4.34Å; F109-W152 HydrophobicContact CD2-CZ3 4.03Å; F109-W152 HydrophobicContact CE1-CE3 4.43Å; F109-W152 AromaticContact CE1-CZ3 3.85Å; F109-W152 HydrophobicContact CE1-CZ3 3.85Å; F109-W152 HydrophobicContact CE2-CZ3 4.31Å; F109-W152 AromaticContact CG-CE3 3.8Å; F109-W152 HydrophobicContact CG-CE3 3.8Å; F109-W152 HydrophobicContact CG-CH2 4.35Å; F109-W152 AromaticContact CG-CZ3 3.64Å; F109-W152 HydrophobicContact CG-CZ3 3.64Å; F109-W152 HydrophobicContact CZ-CZ3 4.22Å; F109-W152 WeakPolarHBondContact O-CA 3.46Å; I111-W152 HydrophobicContact CD1-CE3 4.24Å; I111-W152 HydrophobicContact CD1-CZ3 4.24Å; L133-W152 HydrophobicContact CD1-CB 4.14Å; L133-W152 HydrophobicContact CD1-CD2 3.59Å; L133-W152 HydrophobicContact CD1-CE3 3.81Å; L133-W152 HydrophobicContact CD1-CG 3.74Å; L133-W152 HydrophobicContact CD1-CZ3 4.4Å; L133-W152 HydrophobicContact CD2-CD2 4.24Å; L133-W152 HydrophobicContact CD2-CG 4.47Å; L133-W152 HydrophobicContact CD2-CZ2 4.14Å; Y137-W152 AromaticContact CE2-CD1 3.8Å; Y137-W152 AromaticContact CE2-NE1 3.6Å; Y137-W152 AromaticContact CZ-CD1 3.94Å; Y137-W152 AromaticContact CZ-NE1 3.69Å; Y137-W152 PolarHBondContact OH-NE1 3.36Å; F147-W152 HydrophobicContact CB-CZ2 4.14Å; F147-W152 AromaticContact CD2-CZ2 3.78Å; F147-W152 HydrophobicContact CD2-CZ2 3.78Å; F147-W152 HydrophobicContact CE2-CZ2 4.4Å; F147-W152 HydrophobicContact CG-CZ2 4.01Å; L150-W152 HydrophobicContact CD1-CH2 4.25Å; L150-W152 HydrophobicContact CD1-CZ2 3.79Å; W152-W348 AromaticContact CH2-CH2 3.72Å; W152-W348 HydrophobicContact CH2-CH2 3.72Å; W152-W348 HydrophobicContact CH2-CZ3 4.04Å; W152-W348 HydrophobicContact CZ2-CH2 4.11Å; W152-W348 HydrophobicContact CZ3-CH2 4.18Å; W152-W348 HydrophobicContact CZ3-CZ3 4.08Å; W152-I351 HydrophobicContact CZ3-CG2 4.2Å; W152-A355 HydrophobicContact CH2-CB 3.57Å; W152-A355 HydrophobicContact CZ2-CB 4.12Å
153	C	98.5	Very high	95.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.5	171.3	-71.4	0	0	0	0	108.5	M94 I95 L108 F109 W110 I111 F231	M94-C153 HydrophobicContact CE-CB 4.45Å; M94-C153 HydrophobicContact CG-CB 4.08Å; M94-C153 HydrophobicContact SD-CB 3.5Å; M94-C153 WeakPolarHBondContact SD-CB 3.34Å; M94-C153 VanDerWaalsContact SD-SG 3.68Å; I95-C153 WeakPolarHBondContact O-CA 3.37Å; L108-C153 HydrophobicContact CD1-CB 3.58Å; L108-C153 WeakPolarHBondContact CD1-SG 3.35Å; F109-C153 PolarHBondContact O-N 3.33Å; W110-C153 WeakPolarHBondContact CA-O 3.34Å; W110-C153 HydrophobicContact CE3-CB 3.75Å; W110-C153 HydrophobicContact CZ3-CB 4.18Å; I111-C153 PolarHBondContact N-O 3.15Å; C153-F231 HydrophobicContact CB-CZ 4.02Å
154	I	98.7	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.4	-173.3	-49.2	179.5	0	0	0	109.9	M94 I95 I111 A126 I129 I130 L133 P156	M94-I154 CarbonylContact C-O 3.51Å; M94-I154 VanDerWaalsContact CA-O 3.31Å; M94-I154 WeakPolarHBondContact CA-O 3.42Å; I95-I154 HydrophobicContact CG2-CB 3.99Å; I95-I154 PolarHBondContact N-O 3.38Å; I95-I154 PolarHBondContact O-N 3.29Å; I111-I154 HydrophobicContact CB-CG1 4.17Å; I111-I154 HydrophobicContact CB-CG2 4.08Å; I111-I154 HydrophobicContact CD1-CD1 4.21Å; I111-I154 HydrophobicContact CD1-CG1 4.38Å; I111-I154 HydrophobicContact CG2-CG2 4.31Å; I111-I154 CarbonylContact O-C 3.21Å; I111-I154 VanDerWaalsContact O-CA 3.24Å; I111-I154 WeakPolarHBondContact O-CA 3.3Å; A126-I154 HydrophobicContact CB-CG2 4.24Å; I129-I154 HydrophobicContact CG2-CD1 3.81Å; I130-I154 HydrophobicContact CD1-CB 4.08Å; I130-I154 HydrophobicContact CD1-CG2 3.73Å; I130-I154 HydrophobicContact CG1-CB 3.83Å; I130-I154 HydrophobicContact CG1-CD1 3.82Å; I130-I154 HydrophobicContact CG1-CG1 4.39Å; I130-I154 HydrophobicContact CG1-CG2 3.7Å; L133-I154 HydrophobicContact CD1-CD1 3.85Å; I154-P156 WeakPolarHBondContact O-CD 3.49Å
155	A	98.5	Very high	94.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	96.9	171.6	0	0	0	0	0	109	M94 W110 I111 S112 A113 L157 L158	M94-A155 HydrophobicContact CB-CB 4.22Å; M94-A155 HydrophobicContact CG-CB 4.5Å; W110-A155 HydrophobicContact CH2-CB 3.88Å; W110-A155 HydrophobicContact CZ2-CB 3.75Å; I111-A155 PolarHBondContact O-N 2.85Å; S112-A155 CarbonylContact C-O 3.5Å; S112-A155 WeakPolarHBondContact CA-O 3.33Å; A113-A155 PolarHBondContact N-O 2.92Å; A155-L157 PolarHBondContact O-N 2.68Å; A155-L158 HydrophobicContact CB-CD2 3.67Å; A155-L158 HydrophobicContact CB-CG 4.23Å
156	P	97.2	Very high	93.5	Very high	3 Å²	3	22 Å²	22	2%	0.019	11%	0.111	C	C	.	.	S	Bend	trans	-72.2	-14.1	-171.9	29.8	-36	0	0	0	113.8	M67 S123 A126 I127 I130 I154	M67-P156 HydrophobicContact CE-CG 3.91Å; M67-P156 HydrophobicContact SD-CG 3.67Å; S123-P156 WeakPolarHBondContact CA-O 3.33Å; S123-P156 VanDerWaalsContact CB-O 3.29Å; S123-P156 WeakPolarHBondContact CB-O 3.34Å; S123-P156 PolarHBondContact OG-O 3.28Å; A126-P156 HydrophobicContact CB-CB 3.99Å; I127-P156 HydrophobicContact CD1-CB 3.8Å; I127-P156 HydrophobicContact CD1-CG 4.09Å; I127-P156 HydrophobicContact CG1-CB 4.05Å; I130-P156 HydrophobicContact CD1-CB 3.87Å; I130-P156 HydrophobicContact CD1-CG 3.92Å; I154-P156 WeakPolarHBondContact O-CD 3.49Å
157	L	96.3	Very high	92.4	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.026	10%	0.098	C	C	.	.			trans	-153.6	102.7	-179.9	-169.9	67.1	0	0	0	111.3	H60 M63 A113 S123 A155 P160 Y163	H60-L157 HydrophobicContact CB-CD2 3.85Å; M63-L157 HydrophobicContact SD-CB 4.13Å; M63-L157 HydrophobicContact SD-CD2 4.05Å; A113-L157 WeakPolarHBondContact O-CA 3.38Å; S123-L157 WeakPolarHBondContact OG-CD1 3.4Å; A155-L157 PolarHBondContact O-N 2.68Å; L157-P160 HydrophobicContact CD2-CB 4Å; L157-P160 HydrophobicContact CG-CB 4.44Å; L157-Y163 HydrophobicContact CD1-CD1 4.2Å; L157-Y163 HydrophobicContact CD1-CD2 3.51Å; L157-Y163 HydrophobicContact CD1-CE2 4.19Å; L157-Y163 HydrophobicContact CD1-CG 3.52Å; L157-Y163 HydrophobicContact CD2-CD1 3.72Å; L157-Y163 HydrophobicContact CD2-CE1 4.39Å; L157-Y163 HydrophobicContact CD2-CG 3.82Å; L157-Y163 HydrophobicContact CG-CG 4.3Å
158	L	97.1	Very high	90.7	Very high	5 Å²	5	23 Å²	23	3%	0.026	14%	0.135	C	C	.	.	S	Bend	trans	-86	-19.8	177.8	-71.5	-177	0	0	0	114	I83 L92 S112 A113 V115 A155 P160 E224 V228 M305	I83-L158 HydrophobicContact CD1-CD2 4.35Å; L92-L158 WeakPolarHBondContact CD2-O 3.28Å; S112-L158 VanDerWaalsContact CB-CD1 3.44Å; A113-L158 PolarHBondContact O-N 2.97Å; V115-L158 HydrophobicContact CG2-CB 3.97Å; V115-L158 HydrophobicContact CG2-CD1 3.61Å; V115-L158 HydrophobicContact CG2-CG 4.32Å; A155-L158 HydrophobicContact CB-CD2 3.67Å; A155-L158 HydrophobicContact CB-CG 4.23Å; L158-P160 VanDerWaalsContact C-CD 3.42Å; L158-P160 VanDerWaalsContact O-CD 3.31Å; L158-P160 WeakPolarHBondContact O-CD 3.48Å; L158-E224 VanDerWaalsContact O-CG 3.27Å; L158-E224 WeakPolarHBondContact O-CG 3.47Å; L158-V228 HydrophobicContact CD1-CG2 3.7Å; L158-V228 HydrophobicContact CD2-CG2 3.84Å; L158-V228 HydrophobicContact CG-CG2 4.43Å; L158-M305 HydrophobicContact CD1-CE 3.94Å; L158-M305 HydrophobicContact CD1-SD 4.07Å
159	N	96	Very high	88.7	Confident	27 Å²	27	18.1 Å²	18.1	14%	0.144	12%	0.118	C	C	.	.			trans	-118.9	68.4	177.5	-170	-6.3	0	0	0	112	G114 V115 D161 G162 Y163 L193	G114-N159 WeakPolarHBondContact O-CB 3.44Å; G114-N159 PolarHBondContact O-N 2.9Å; V115-N159 WeakPolarHBondContact O-CB 3.3Å; V115-N159 PolarHBondContact O-ND2 3.44Å; V115-N159 VanDerWaalsContact O-ND2 3.07Å; N159-D161 VanDerWaalsContact C-N 3.27Å; N159-D161 PolarHBondContact O-N 3.08Å; N159-G162 WeakPolarHBondContact OD1-CA 3.33Å; N159-G162 PolarHBondContact OD1-N 3.38Å; N159-Y163 WeakPolarHBondContact O-CB 3.36Å; N159-Y163 PolarHBondContact O-N 3.45Å; N159-L193 HydrophobicContact CB-CD1 3.73Å
160	P	93.7	Very high	86.4	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-29.5	-176.5	28.6	-36.5	0	0	0	113	H60 R90 L92 L157 L158 E164	H60-P160 HydrophobicContact CB-CB 4.39Å; R90-P160 HydrophobicContact CB-CB 4.36Å; R90-P160 HydrophobicContact CB-CG 4.15Å; L92-P160 VanDerWaalsContact CD2-CD 3.43Å; L92-P160 HydrophobicContact CD2-CG 3.78Å; L157-P160 HydrophobicContact CD2-CB 4Å; L157-P160 HydrophobicContact CG-CB 4.44Å; L158-P160 VanDerWaalsContact C-CD 3.42Å; L158-P160 VanDerWaalsContact O-CD 3.31Å; L158-P160 WeakPolarHBondContact O-CD 3.48Å; P160-E164 WeakPolarHBondContact O-CB 3.41Å; P160-E164 WeakPolarHBondContact O-CG 3.28Å; P160-E164 PolarHBondContact O-N 3.18Å
161	D	91.6	Very high	84	Confident	14 Å²	14	24.9 Å²	24.9	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-70.8	-51.1	-179.8	-62.1	-5.3	0	0	0	110.9	S86 R87 E88 R90 N159 Y163 F165	S86-D161 VanDerWaalsContact CB-CG 3.43Å; S86-D161 WeakPolarHBondContact CB-OD1 3.04Å; S86-D161 VanDerWaalsContact CB-OD2 3.23Å; S86-D161 WeakPolarHBondContact CB-OD2 3.33Å; S86-D161 PolarHBondContact OG-OD1 2.83Å; S86-D161 PolarHBondContact OG-OD2 3.09Å; R87-D161 PolarHBondContact N-OD2 3.28Å; R87-D161 VanDerWaalsContact N-OD2 3.14Å; E88-D161 WeakPolarHBondContact CB-OD2 2.97Å; E88-D161 HydrophobicContact CG-CB 4.35Å; E88-D161 WeakPolarHBondContact CG-OD2 3.24Å; E88-D161 PolarHBondContact N-OD2 2.98Å; R90-D161 IonicContact CZ-OD1 2.85Å; R90-D161 VanDerWaalsContact NH1-CG 3.28Å; R90-D161 IonicContact NH1-OD1 2.7Å; R90-D161 PolarHBondContact NH1-OD1 3.36Å; N159-D161 VanDerWaalsContact C-N 3.27Å; N159-D161 PolarHBondContact O-N 3.08Å; D161-Y163 VanDerWaalsContact C-N 3.32Å; D161-Y163 PolarHBondContact O-N 2.94Å; D161-F165 WeakPolarHBondContact O-CB 3.38Å; D161-F165 PolarHBondContact O-N 3.3Å
162	G	89.8	Confident	81.6	Confident	19 Å²	19	25.3 Å²	25.3	20%	0.196	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-42	174.4	0	0	0	0	0	111.4	A117 N159 F165 T166	A117-G162 VanDerWaalsContact CB-O 3.31Å; A117-G162 WeakPolarHBondContact CB-O 3.33Å; N159-G162 WeakPolarHBondContact OD1-CA 3.33Å; N159-G162 PolarHBondContact OD1-N 3.38Å; G162-F165 WeakPolarHBondContact O-CB 3.35Å; G162-F165 PolarHBondContact O-N 3.47Å; G162-T166 WeakPolarHBondContact O-CG2 3.46Å; G162-T166 PolarHBondContact O-N 3.39Å
163	Y	89.3	Confident	79.1	Confident	1 Å²	1	27 Å²	27	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-52.9	-179.5	-175.3	-91.2	0	0	0	111.4	C58 M63 W120 L157 N159 D161 F165 T166 R167	C58-Y163 WeakPolarHBondContact O-CE1 3.22Å; C58-Y163 PolarHBondContact O-OH 3.03Å; M63-Y163 HydrophobicContact CE-CE1 3.85Å; M63-Y163 HydrophobicContact CE-CE2 4.28Å; M63-Y163 WeakPolarHBondContact CE-OH 3.38Å; W120-Y163 HydrophobicContact CB-CE2 4.47Å; W120-Y163 AromaticContact CD1-CD2 3.93Å; W120-Y163 AromaticContact CD1-CE2 3.49Å; W120-Y163 VanDerWaalsContact CD1-CE2 3.49Å; W120-Y163 HydrophobicContact CG-CE2 4.16Å; L157-Y163 HydrophobicContact CD1-CD1 4.2Å; L157-Y163 HydrophobicContact CD1-CD2 3.51Å; L157-Y163 HydrophobicContact CD1-CE2 4.19Å; L157-Y163 HydrophobicContact CD1-CG 3.52Å; L157-Y163 HydrophobicContact CD2-CD1 3.72Å; L157-Y163 HydrophobicContact CD2-CE1 4.39Å; L157-Y163 HydrophobicContact CD2-CG 3.82Å; L157-Y163 HydrophobicContact CG-CG 4.3Å; N159-Y163 WeakPolarHBondContact O-CB 3.36Å; N159-Y163 PolarHBondContact O-N 3.45Å; D161-Y163 VanDerWaalsContact C-N 3.32Å; D161-Y163 PolarHBondContact O-N 2.94Å; Y163-F165 PolarHBondContact O-N 2.87Å; Y163-T166 PolarHBondContact O-N 3.16Å; Y163-T166 PolarHBondContact O-OG1 3.16Å; Y163-R167 HydrophobicContact CD1-CG 3.98Å; Y163-R167 HydrophobicContact CE1-CG 3.72Å; Y163-R167 WeakPolarHBondContact O-CG 3.46Å; Y163-R167 PolarHBondContact O-N 2.72Å
164	E	84.6	Confident	76.4	Confident	37 Å²	37	31.2 Å²	31.2	17%	0.173	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-36.3	175.5	-71.3	-65.8	169.6	0	0	112.3	H59 H60 P160 T166 R167 G168	H59-E164 IonicContact CE1-OE2 2.91Å; H59-E164 IonicContact CG-OE2 3.81Å; H59-E164 IonicContact ND1-OE1 3.66Å; H59-E164 IonicContact ND1-OE2 3.89Å; H59-E164 PolarHBondContact ND1-OE2 3.45Å; H60-E164 WeakPolarHBondContact CA-OE1 3.41Å; H60-E164 HydrophobicContact CB-CG 4.1Å; H60-E164 WeakPolarHBondContact CB-OE1 3.31Å; H60-E164 PolarHBondContact N-OE1 2.61Å; P160-E164 WeakPolarHBondContact O-CB 3.41Å; P160-E164 WeakPolarHBondContact O-CG 3.28Å; P160-E164 PolarHBondContact O-N 3.18Å; E164-T166 PolarHBondContact O-N 2.75Å; E164-R167 PolarHBondContact O-N 3.13Å; E164-R167 VanDerWaalsContact O-N 3.16Å; E164-G168 PolarHBondContact O-N 2.96Å
165	F	83.9	Confident	73.5	Confident	101 Å²	101	33.6 Å²	33.6	44%	0.443	20%	0.203	S	C	.	.	H	α-helix	trans	-59.3	-44	172.9	179.7	-88.4	0	0	0	112.1	D161 G162 Y163 R167 G168 S169 K190	D161-F165 WeakPolarHBondContact O-CB 3.38Å; D161-F165 PolarHBondContact O-N 3.3Å; G162-F165 WeakPolarHBondContact O-CB 3.35Å; G162-F165 PolarHBondContact O-N 3.47Å; Y163-F165 PolarHBondContact O-N 2.87Å; F165-R167 VanDerWaalsContact C-N 3.3Å; F165-R167 PolarHBondContact O-N 3.24Å; F165-G168 PolarHBondContact O-N 3.35Å; F165-S169 WeakPolarHBondContact O-CB 3.44Å; F165-S169 PolarHBondContact O-N 3.34Å; F165-K190 VanDerWaalsContact CE1-NZ 3.34Å
166	T	80.2	Confident	70.4	Confident	10 Å²	10	38.6 Å²	38.6	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-29.6	176	64.3	0	0	0	0	112.8	A117 W120 G162 Y163 E164	A117-T166 HydrophobicContact CB-CG2 3.69Å; A117-T166 PolarHBondContact O-OG1 3.43Å; W120-T166 PolarHBondContact NE1-OG1 2.76Å; G162-T166 WeakPolarHBondContact O-CG2 3.46Å; G162-T166 PolarHBondContact O-N 3.39Å; Y163-T166 PolarHBondContact O-N 3.16Å; Y163-T166 PolarHBondContact O-OG1 3.16Å; E164-T166 PolarHBondContact O-N 2.75Å
167	R	71.9	Confident	67.3	Low	16 Å²	16	41 Å²	41	6%	0.06	24%	0.243	C	C	.	.	H	α-helix	trans	-77	-30.1	179.3	-60.3	-56.3	-74	-179.3	8.1	113.2	Y40 C58 Y163 E164 F165	Y40-R167 HydrophobicContact CE1-CB 4.01Å; Y40-R167 HydrophobicContact CE1-CG 4.41Å; Y40-R167 VanDerWaalsContact CE2-CZ 3.46Å; Y40-R167 VanDerWaalsContact CG-NH2 3.27Å; Y40-R167 WeakPolarHBondContact OH-CA 3.33Å; Y40-R167 WeakPolarHBondContact OH-CD 3.4Å; Y40-R167 PolarHBondContact OH-NE 3.31Å; Y40-R167 PolarHBondContact OH-NH1 3.43Å; Y40-R167 PolarHBondContact OH-NH2 3.08Å; C58-R167 WeakPolarHBondContact O-CD 3.13Å; C58-R167 WeakPolarHBondContact O-CG 3.42Å; C58-R167 PolarHBondContact O-NE 3.25Å; C58-R167 PolarHBondContact SG-NH2 3.08Å; Y163-R167 HydrophobicContact CD1-CG 3.98Å; Y163-R167 HydrophobicContact CE1-CG 3.72Å; Y163-R167 WeakPolarHBondContact O-CG 3.46Å; Y163-R167 PolarHBondContact O-N 2.72Å; E164-R167 PolarHBondContact O-N 3.13Å; E164-R167 VanDerWaalsContact O-N 3.16Å; F165-R167 VanDerWaalsContact C-N 3.3Å; F165-R167 PolarHBondContact O-N 3.24Å
168	G	59.5	Low	64.5	Low	76 Å²	76	49 Å²	49	78%	0.784	28%	0.28	S	S	*	.	S	Bend	trans	-86.2	-3.9	175.7	0	0	0	0	0	114.7	E164 F165	E164-G168 PolarHBondContact O-N 2.96Å; F165-G168 PolarHBondContact O-N 3.35Å
169	S	51.9	Low	61.5	Low	35 Å²	35	53 Å²	53	25%	0.245	30%	0.301	C	S	.	.	S	Bend	trans	-111.4	134.7	-174.4	-176.5	0	0	0	0	111.1	F165 H171	F165-S169 WeakPolarHBondContact O-CB 3.44Å; F165-S169 PolarHBondContact O-N 3.34Å; S169-H171 PolarHBondContact O-N 2.69Å; S169-H171 PolarHBondContact OG-N 3.35Å
170	L	45	Very low	58.6	Low	106 Å²	106	60.8 Å²	60.8	56%	0.555	33%	0.329	S	S	*	.	S	Bend	trans	-65.9	-4.9	175.4	-70.7	168.1	0	0	0	113.7	K33 I36	K33-L170 HydrophobicContact CG-CD2 4.38Å; I36-L170 WeakPolarHBondContact CD1-O 2.95Å
171	H	45.2	Very low	56	Low	67 Å²	67	66.2 Å²	66.2	31%	0.31	36%	0.362	S	S	.	.			trans	-133.1	94.9	177.9	-66.8	-60.7	0	0	0	110.9	L29 S169 D173 N174	L29-H171 VanDerWaalsContact CD2-CE1 3.45Å; L29-H171 WeakPolarHBondContact CD2-CE1 3.06Å; S169-H171 PolarHBondContact O-N 2.69Å; S169-H171 PolarHBondContact OG-N 3.35Å; H171-D173 VanDerWaalsContact C-N 3.26Å; H171-D173 PolarHBondContact O-N 2.77Å; H171-N174 HydrophobicContact CB-CB 4.01Å; H171-N174 PolarHBondContact O-N 3.25Å
172	P	45.7	Very low	53.2	Low	10 Å²	10	72 Å²	72	7%	0.065	39%	0.392	C	S	.	.	S	Bend	trans	-70.5	-21.8	177.9	25.2	-31.1	0	0	0	113.2	I36 W120 I334	I36-P172 HydrophobicContact CD1-CG 4.3Å; W120-P172 HydrophobicContact CH2-CB 3.96Å; W120-P172 HydrophobicContact CH2-CG 4.05Å; W120-P172 HydrophobicContact CZ2-CB 3.64Å; W120-P172 HydrophobicContact CZ2-CG 4.25Å; P172-I334 HydrophobicContact CG-CD1 3.33Å; P172-I334 HydrophobicContact CG-CG1 4.06Å
173	D	46.9	Very low	50.6	Low	34 Å²	34	74.6 Å²	74.6	18%	0.182	40%	0.401	C	S	.	.	S	Bend	trans	-88.4	-18.2	178.4	-68.5	-26.5	0	0	0	114	W32 H171 F333	W32-D173 VanDerWaalsContact CH2-OD2 3.28Å; W32-D173 WeakPolarHBondContact CH2-OD2 3.35Å; H171-D173 VanDerWaalsContact C-N 3.26Å; H171-D173 PolarHBondContact O-N 2.77Å; D173-F333 WeakPolarHBondContact OD1-CD2 3.21Å
174	N	40.9	Very low	47.9	Very low	90 Å²	90	79 Å²	79	48%	0.481	43%	0.43	S	S	.	.			trans	-117.8	96.5	-171.1	-68.5	-31.9	0	0	0	111.9	H171 M176	H171-N174 HydrophobicContact CB-CB 4.01Å; H171-N174 PolarHBondContact O-N 3.25Å; N174-M176 PolarHBondContact O-N 3.45Å; N174-M176 VanDerWaalsContact O-N 3.08Å
175	A	39	Very low	45.7	Very low	49 Å²	49	88.1 Å²	88.1	41%	0.405	46%	0.463	S	S	.	.	S	Bend	trans	-68.8	19.5	153.2	0	0	0	0	0	113.1	K190	A175-K190 HydrophobicContact CB-CD 4.43Å
176	M	32.3	Very low	43.8	Very low	105 Å²	105	87.5 Å²	87.5	52%	0.517	47%	0.471	S	S	.	.			trans	-125.2	105.5	179.7	-57	-143.4	97.3	0	0	111.2	N174 W180	N174-M176 PolarHBondContact O-N 3.45Å; N174-M176 VanDerWaalsContact O-N 3.08Å; M176-W180 HydrophobicContact CE-CH2 3.31Å; M176-W180 HydrophobicContact CE-CZ2 3.1Å; M176-W180 HydrophobicContact CE-CZ3 4.29Å; M176-W180 HydrophobicContact SD-CH2 4.42Å; M176-W180 HydrophobicContact SD-CZ2 3.78Å
177	P	32.5	Very low	42	Very low	53 Å²	53	90.2 Å²	90.2	34%	0.344	48%	0.484	S	S	.	.			trans	-64.8	137.3	165.3	-21.3	36.3	0	0	0	109.5	D179 L183 M187	P177-D179 PolarHBondContact O-N 2.86Å; P177-L183 HydrophobicContact CB-CD1 3.86Å; P177-L183 VanDerWaalsContact CD-CD1 3.48Å; P177-L183 HydrophobicContact CG-CD1 3.37Å; P177-L183 HydrophobicContact CG-CD2 3.99Å; P177-L183 HydrophobicContact CG-CG 4.24Å; P177-M187 HydrophobicContact CG-CE 3.94Å; P177-M187 HydrophobicContact CG-SD 4.45Å
178	Q	38.2	Very low	40.8	Very low	174 Å²	174	92.4 Å²	92.4	81%	0.813	50%	0.499	S	S	*	.	S	Bend	trans	-68.9	7.7	-178.1	-134.4	165.1	29	0	0	113.9
179	D	32.7	Very low	40.7	Very low	88 Å²	88	96.5 Å²	96.5	47%	0.471	49%	0.491	S	S	.	.			trans	-128	95.2	177.9	-151.6	-18.5	0	0	0	110.1	P177 T181	P177-D179 PolarHBondContact O-N 2.86Å; D179-T181 PolarHBondContact O-N 2.9Å; D179-T181 VanDerWaalsContact O-N 3.11Å; D179-T181 PolarHBondContact OD1-OG1 2.82Å
180	W	36.6	Very low	42	Very low	192 Å²	192	99.3 Å²	99.3	73%	0.727	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	5.8	-173.7	-80.7	68.8	0	0	0	114.1	M176	M176-W180 HydrophobicContact CE-CH2 3.31Å; M176-W180 HydrophobicContact CE-CZ2 3.1Å; M176-W180 HydrophobicContact CE-CZ3 4.29Å; M176-W180 HydrophobicContact SD-CH2 4.42Å; M176-W180 HydrophobicContact SD-CZ2 3.78Å
181	T	37.7	Very low	44.3	Very low	114 Å²	114	95.3 Å²	95.3	70%	0.699	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-8.2	-172.3	61.8	0	0	0	0	114.7	D179	D179-T181 PolarHBondContact O-N 2.9Å; D179-T181 VanDerWaalsContact O-N 3.11Å; D179-T181 PolarHBondContact OD1-OG1 2.82Å
182	L	33.5	Very low	46.6	Very low	135 Å²	135	92.9 Å²	92.9	71%	0.707	47%	0.468	S	S	*	.	S	Bend	trans	-124.2	7.5	-168	-70.5	174.6	0	0	0	116.2
183	L	35	Very low	49	Very low	73 Å²	73	93 Å²	93	38%	0.382	47%	0.468	S	S	.	.			trans	-96.6	122.5	-176.3	-59.1	166.1	0	0	0	110.5	P177 M187	P177-L183 HydrophobicContact CB-CD1 3.86Å; P177-L183 VanDerWaalsContact CD-CD1 3.48Å; P177-L183 HydrophobicContact CG-CD1 3.37Å; P177-L183 HydrophobicContact CG-CD2 3.99Å; P177-L183 HydrophobicContact CG-CG 4.24Å; L183-M187 HydrophobicContact CD1-CE 3.73Å; L183-M187 HydrophobicContact CD1-SD 3.59Å; L183-M187 VanDerWaalsContact CD1-SD 3.59Å; L183-M187 HydrophobicContact CD2-CE 3.68Å; L183-M187 HydrophobicContact CG-CE 4.14Å; L183-M187 HydrophobicContact CG-SD 4.42Å
184	P	32.5	Very low	51.4	Low	93 Å²	93	91.8 Å²	91.8	60%	0.604	46%	0.462	S	S	*	.			trans	-59.4	148.8	172.3	26.2	-30.8	0	0	0	107.8	S186	P184-S186 PolarHBondContact O-N 2.81Å; P184-S186 PolarHBondContact O-OG 2.85Å
185	R	39	Very low	54.1	Low	230 Å²	230	88 Å²	88	87%	0.868	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-45.9	-0.1	-179.5	-77.4	172	156.5	162.8	-7.1	116.6	M187 T188	R185-M187 PolarHBondContact O-N 2.83Å; R185-T188 PolarHBondContact O-OG1 3.27Å
186	S	43.1	Very low	56.8	Low	88 Å²	88	85.7 Å²	85.7	62%	0.615	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.3	-180	65.5	0	0	0	0	115.4	P184 T188	P184-S186 PolarHBondContact O-N 2.81Å; P184-S186 PolarHBondContact O-OG 2.85Å; S186-T188 PolarHBondContact O-N 3.09Å
187	M	42.1	Very low	60	Low	67 Å²	67	80.9 Å²	80.9	33%	0.33	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-72	-14.2	175.9	-80.1	-172.4	-162.2	0	0	114.3	P177 L183 R185 R189	P177-M187 HydrophobicContact CG-CE 3.94Å; P177-M187 HydrophobicContact CG-SD 4.45Å; L183-M187 HydrophobicContact CD1-CE 3.73Å; L183-M187 HydrophobicContact CD1-SD 3.59Å; L183-M187 VanDerWaalsContact CD1-SD 3.59Å; L183-M187 HydrophobicContact CD2-CE 3.68Å; L183-M187 HydrophobicContact CG-CE 4.14Å; L183-M187 HydrophobicContact CG-SD 4.42Å; R185-M187 PolarHBondContact O-N 2.83Å; M187-R189 PolarHBondContact O-N 3.25Å
188	T	47.1	Very low	63.1	Low	62 Å²	62	82.9 Å²	82.9	38%	0.38	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	27	-177.5	60.5	0	0	0	0	114.7	R185 S186 P209	R185-T188 PolarHBondContact O-OG1 3.27Å; S186-T188 PolarHBondContact O-N 3.09Å; T188-P209 WeakPolarHBondContact O-CB 3.47Å
189	R	57.5	Low	65.9	Low	161 Å²	161	75.4 Å²	75.4	61%	0.608	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143	18	-174.3	-63.9	-171.6	-176.5	173.1	-0.9	115.4	M187 V191	M187-R189 PolarHBondContact O-N 3.25Å; R189-V191 PolarHBondContact O-N 3.49Å
190	K	79	Confident	69	Low	94 Å²	94	74.5 Å²	74.5	41%	0.409	36%	0.363	S	S	.	.			trans	-81	101	174.4	-66.8	-174.7	177.9	-175.3	0	108.1	F165 A175	F165-K190 VanDerWaalsContact CE1-NZ 3.34Å; A175-K190 HydrophobicContact CB-CD 4.43Å
191	V	93	Very high	71.8	Confident	22 Å²	22	67.4 Å²	67.4	13%	0.133	34%	0.337	C	S	.	.			trans	-80.9	133.6	174.6	173.5	0	0	0	0	108.7	R189 L193 N196 Y214 E222	R189-V191 PolarHBondContact O-N 3.49Å; V191-L193 PolarHBondContact O-N 2.95Å; V191-N196 HydrophobicContact CG1-CB 3.94Å; V191-Y214 WeakPolarHBondContact CA-O 3.33Å; V191-Y214 HydrophobicContact CG2-CD1 3.81Å; V191-Y214 HydrophobicContact CG2-CE1 3.69Å; V191-E222 HydrophobicContact CB-CG 3.6Å; V191-E222 HydrophobicContact CG1-CG 3.54Å; V191-E222 HydrophobicContact CG2-CG 4.12Å; V191-E222 WeakPolarHBondContact CG2-OE1 3.4Å
192	D	95.4	Very high	74.5	Confident	17 Å²	17	63.6 Å²	63.6	9%	0.091	32%	0.321	C	S	.	.			trans	-69.5	108.2	165.3	-176.6	-17.2	0	0	0	108.4	H116 N194 R195 N196 Y214	H116-D192 IonicContact CD2-OD1 2.69Å; H116-D192 IonicContact NE2-OD1 3.47Å; H116-D192 PolarHBondContact NE2-OD1 3.36Å; H116-D192 VanDerWaalsContact NE2-OD1 3.15Å; H116-D192 IonicContact NE2-OD2 3.61Å; D192-N194 PolarHBondContact O-N 2.8Å; D192-N194 WeakPolarHBondContact OD1-CA 3.38Å; D192-N194 PolarHBondContact OD1-N 3.23Å; D192-R195 HydrophobicContact CB-CB 4.06Å; D192-R195 HydrophobicContact CB-CG 3.83Å; D192-R195 PolarHBondContact O-N 2.88Å; D192-R195 PolarHBondContact OD1-N 2.78Å; D192-R195 VanDerWaalsContact OD2-CG 3.24Å; D192-R195 WeakPolarHBondContact OD2-CG 3.24Å; D192-R195 IonicContact OD2-CZ 3.35Å; D192-R195 IonicContact OD2-NE 3.63Å; D192-R195 IonicContact OD2-NH1 2.8Å; D192-N196 PolarHBondContact O-N 2.89Å; D192-Y214 PolarHBondContact N-O 3.33Å
193	L	96.1	Very high	77.3	Confident	11 Å²	11	63.6 Å²	63.6	6%	0.058	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-57.6	-33.2	178.8	-67.5	-176.5	0	0	0	112	V115 N159 V191 R195 N196 F197 E222 E224	V115-L193 HydrophobicContact CG1-CB 3.66Å; N159-L193 HydrophobicContact CB-CD1 3.73Å; V191-L193 PolarHBondContact O-N 2.95Å; L193-R195 PolarHBondContact O-N 2.9Å; L193-N196 PolarHBondContact O-N 3.02Å; L193-F197 VanDerWaalsContact O-CD2 3.29Å; L193-F197 WeakPolarHBondContact O-CD2 3.47Å; L193-F197 VanDerWaalsContact O-CE2 3.22Å; L193-F197 WeakPolarHBondContact O-CE2 3.47Å; L193-E222 HydrophobicContact CD2-CB 3.44Å; L193-E222 VanDerWaalsContact CD2-CB 3.44Å; L193-E222 HydrophobicContact CD2-CG 3.69Å; L193-E224 HydrophobicContact CD1-CB 3.77Å; L193-E224 HydrophobicContact CD1-CG 4.09Å; L193-E224 HydrophobicContact CD2-CB 3.97Å
194	N	96.3	Very high	79.8	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.053	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-87.5	16	177.8	-152.6	18.7	0	0	0	112.9	V115 H116 D192 H246 G303 G304 M305	V115-N194 HydrophobicContact CG1-CB 4Å; H116-N194 WeakPolarHBondContact NE2-CB 3.5Å; D192-N194 PolarHBondContact O-N 2.8Å; D192-N194 WeakPolarHBondContact OD1-CA 3.38Å; D192-N194 PolarHBondContact OD1-N 3.23Å; N194-H246 PolarHBondContact ND2-NE2 3.49Å; N194-G303 CarbonylContact C-O 3.56Å; N194-G303 CarbonylContact O-C 3.59Å; N194-G304 WeakPolarHBondContact O-CA 3.42Å; N194-G304 WeakPolarHBondContact OD1-CA 3.11Å; N194-M305 PolarHBondContact OD1-N 3.36Å
195	R	97	Very high	82.6	Confident	10 Å²	10	58 Å²	58	4%	0.038	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-121.3	0.5	162.1	-57	-63.5	179.3	-80.8	-6.3	112	D192 L193 F201 Q215 Y299 S302 G303	D192-R195 HydrophobicContact CB-CB 4.06Å; D192-R195 HydrophobicContact CB-CG 3.83Å; D192-R195 PolarHBondContact O-N 2.88Å; D192-R195 PolarHBondContact OD1-N 2.78Å; D192-R195 VanDerWaalsContact OD2-CG 3.24Å; D192-R195 WeakPolarHBondContact OD2-CG 3.24Å; D192-R195 IonicContact OD2-CZ 3.35Å; D192-R195 IonicContact OD2-NE 3.63Å; D192-R195 IonicContact OD2-NH1 2.8Å; L193-R195 PolarHBondContact O-N 2.9Å; R195-F201 WeakPolarHBondContact O-CD2 3.27Å; R195-Q215 HydrophobicContact CB-CB 4.12Å; R195-Y299 PolarHBondContact NH2-OH 2.93Å; R195-S302 WeakPolarHBondContact CD-O 3.39Å; R195-G303 CarbonylContact C-O 3.52Å; R195-G303 VanDerWaalsContact CA-O 3.3Å; R195-G303 WeakPolarHBondContact CA-O 3.23Å; R195-G303 PolarHBondContact N-O 2.88Å
196	N	97.2	Very high	85.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.			trans	-93.9	-4	-171.2	-163.2	-117.6	0	0	0	114.3	V191 D192 L193 Q215 F218 P219 F220 S221 E222 A225 G303	V191-N196 HydrophobicContact CG1-CB 3.94Å; D192-N196 PolarHBondContact O-N 2.89Å; L193-N196 PolarHBondContact O-N 3.02Å; N196-Q215 PolarHBondContact ND2-O 3.35Å; N196-F218 PolarHBondContact ND2-O 2.81Å; N196-P219 CarbonylContact O-C 3.58Å; N196-P219 WeakPolarHBondContact O-CA 3.25Å; N196-F220 PolarHBondContact O-N 3.4Å; N196-F220 VanDerWaalsContact OD1-CA 3.26Å; N196-F220 WeakPolarHBondContact OD1-CA 3.47Å; N196-F220 PolarHBondContact OD1-N 3.15Å; N196-S221 PolarHBondContact ND2-OG 3.04Å; N196-S221 PolarHBondContact OD1-N 2.92Å; N196-S221 VanDerWaalsContact OD1-N 3.08Å; N196-E222 PolarHBondContact OD1-N 3.24Å; N196-E222 VanDerWaalsContact OD1-N 3.08Å; N196-A225 HydrophobicContact CB-CB 4.4Å; N196-G303 PolarHBondContact N-O 3.32Å
197	F	98.1	Very high	87.5	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.018	26%	0.259	C	S	.	.	S	Bend	trans	-81.2	152.3	-179.3	-69.4	-106	0	0	0	111.8	L193 F199 F220 A225 V228 G303 M305 W308	L193-F197 VanDerWaalsContact O-CD2 3.29Å; L193-F197 WeakPolarHBondContact O-CD2 3.47Å; L193-F197 VanDerWaalsContact O-CE2 3.22Å; L193-F197 WeakPolarHBondContact O-CE2 3.47Å; F197-F199 PolarHBondContact O-N 3Å; F197-F220 HydrophobicContact CB-CE1 4.21Å; F197-F220 HydrophobicContact CD1-CD1 4.38Å; F197-F220 AromaticContact CD1-CE1 3.48Å; F197-F220 HydrophobicContact CD1-CE1 3.48Å; F197-F220 VanDerWaalsContact CD1-CE1 3.48Å; F197-F220 HydrophobicContact CD1-CZ 4.22Å; F197-F220 HydrophobicContact CE1-CE1 4.03Å; F197-F220 HydrophobicContact CG-CE1 4.04Å; F197-A225 HydrophobicContact CE2-CB 4.04Å; F197-A225 HydrophobicContact CZ-CB 4.05Å; F197-V228 HydrophobicContact CE1-CB 4.26Å; F197-V228 HydrophobicContact CE1-CG1 4.33Å; F197-V228 HydrophobicContact CZ-CB 4.26Å; F197-G303 WeakPolarHBondContact CB-O 3.26Å; F197-G303 PolarHBondContact N-O 2.97Å; F197-G303 VanDerWaalsContact O-CA 3.29Å; F197-G303 WeakPolarHBondContact O-CA 3.21Å; F197-M305 HydrophobicContact CD1-CB 4.3Å; F197-M305 HydrophobicContact CD1-CG 4.21Å; F197-M305 HydrophobicContact CD2-CB 3.82Å; F197-M305 HydrophobicContact CD2-CG 4.44Å; F197-M305 HydrophobicContact CE1-CB 4.06Å; F197-M305 HydrophobicContact CE1-CG 3.62Å; F197-M305 HydrophobicContact CE1-SD 4.07Å; F197-M305 HydrophobicContact CE2-CB 3.54Å; F197-M305 HydrophobicContact CE2-CG 3.88Å; F197-M305 HydrophobicContact CE2-SD 4.08Å; F197-M305 HydrophobicContact CG-CB 4.22Å; F197-M305 HydrophobicContact CZ-CB 3.68Å; F197-M305 HydrophobicContact CZ-CG 3.44Å; F197-M305 VanDerWaalsContact CZ-CG 3.44Å; F197-M305 HydrophobicContact CZ-SD 3.46Å; F197-M305 WeakPolarHBondContact CZ-SD 3.42Å; F197-W308 HydrophobicContact CB-CB 3.71Å; F197-W308 HydrophobicContact CB-CG 4Å; F197-W308 HydrophobicContact CD1-CB 4.13Å; F197-W308 AromaticContact CD1-CD2 3.85Å; F197-W308 HydrophobicContact CD1-CD2 3.85Å; F197-W308 AromaticContact CD1-CE3 3.58Å; F197-W308 HydrophobicContact CD1-CE3 3.58Å; F197-W308 HydrophobicContact CD1-CG 4.07Å; F197-W308 HydrophobicContact CD1-CZ3 4.36Å; F197-W308 HydrophobicContact CE1-CE3 4Å; F197-W308 HydrophobicContact CE1-CZ3 4.43Å; F197-W308 HydrophobicContact CG-CB 4.28Å
198	N	97.7	Very high	89.8	Confident	95 Å²	95	50.4 Å²	50.4	51%	0.508	26%	0.263	S	S	.	.	S	Bend	trans	-78.9	62.1	-178.7	-167.9	31	0	0	0	112.8	P219 F220	N198-P219 HydrophobicContact CB-CB 3.56Å; N198-P219 HydrophobicContact CB-CG 4.17Å; N198-P219 WeakPolarHBondContact OD1-CG 3.44Å; N198-F220 HydrophobicContact CB-CD2 4.1Å; N198-F220 HydrophobicContact CB-CE2 3.37Å; N198-F220 HydrophobicContact CB-CZ 3.95Å
199	F	97.2	Very high	91.8	Very high	18 Å²	18	49.7 Å²	49.7	8%	0.079	26%	0.259	C	S	.	.	S	Bend	trans	-137	107.6	175.9	-177.8	-93	0	0	0	109.5	F197 F201 Y256 H258 G303 D307 W308	F197-F199 PolarHBondContact O-N 3Å; F199-F201 PolarHBondContact O-N 3.39Å; F199-F201 VanDerWaalsContact O-N 3.08Å; F199-Y256 AromaticContact CE1-CD1 3.84Å; F199-Y256 HydrophobicContact CE1-CD1 3.84Å; F199-Y256 HydrophobicContact CE1-CE1 4.43Å; F199-Y256 HydrophobicContact CE1-CG 4.49Å; F199-Y256 AromaticContact CE2-CD1 3.99Å; F199-Y256 HydrophobicContact CE2-CD1 3.99Å; F199-Y256 AromaticContact CE2-CE1 3.74Å; F199-Y256 HydrophobicContact CE2-CE1 3.74Å; F199-Y256 AromaticContact CZ-CD1 3.23Å; F199-Y256 HydrophobicContact CZ-CD1 3.23Å; F199-Y256 AromaticContact CZ-CE1 3.48Å; F199-Y256 HydrophobicContact CZ-CE1 3.48Å; F199-Y256 VanDerWaalsContact CZ-CE1 3.48Å; F199-Y256 AromaticContact CZ-CG 3.95Å; F199-Y256 HydrophobicContact CZ-CG 3.95Å; F199-H258 HydrophobicContact CD1-CB 4.42Å; F199-H258 HydrophobicContact CE1-CB 3.9Å; F199-H258 AromaticContact CE1-CG 3.75Å; F199-H258 AromaticContact CE1-ND1 3.37Å; F199-H258 WeakPolarHBondContact CE1-ND1 3.47Å; F199-H258 AromaticContact CZ-ND1 3.67Å; F199-G303 WeakPolarHBondContact O-CA 3.17Å; F199-G303 PolarHBondContact O-N 3.44Å; F199-D307 HydrophobicContact CD1-CB 3.38Å; F199-D307 HydrophobicContact CD2-CB 4.49Å; F199-D307 HydrophobicContact CE1-CB 3.47Å; F199-D307 VanDerWaalsContact CE1-CB 3.47Å; F199-D307 VanDerWaalsContact CE1-OD2 3.24Å; F199-D307 WeakPolarHBondContact CE1-OD2 3.3Å; F199-D307 HydrophobicContact CG-CB 3.92Å; F199-D307 HydrophobicContact CZ-CB 4.11Å; F199-W308 HydrophobicContact CB-CB 3.85Å
200	H	97.2	Very high	93.3	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.319	26%	0.258	S	S	.	.	S	Bend	trans	50.3	31.5	-172.8	-70.1	-89.2	0	0	0	113.2	G202 E203 H258 S302	H200-G202 PolarHBondContact O-N 3.01Å; H200-E203 HydrophobicContact CB-CB 4.35Å; H200-E203 HydrophobicContact CB-CG 4.33Å; H200-E203 IonicContact CE1-OE2 2.97Å; H200-E203 IonicContact CG-OE1 3.1Å; H200-E203 IonicContact CG-OE2 3.47Å; H200-E203 IonicContact ND1-OE1 2.96Å; H200-E203 PolarHBondContact ND1-OE1 2.89Å; H200-E203 VanDerWaalsContact ND1-OE1 3.09Å; H200-E203 IonicContact ND1-OE2 3.89Å; H200-E203 PolarHBondContact ND1-OE2 2.82Å; H200-E203 WeakPolarHBondContact O-CB 3.37Å; H200-E203 WeakPolarHBondContact O-CG 3.26Å; H200-E203 PolarHBondContact O-N 2.71Å; H200-H258 HydrophobicContact CB-CB 3.92Å; H200-H258 AromaticContact CD2-CD2 3.56Å; H200-H258 AromaticContact CD2-CG 3.67Å; H200-H258 AromaticContact CD2-ND1 3.99Å; H200-H258 AromaticContact CD2-NE2 3.87Å; H200-H258 AromaticContact CE1-CD2 3.63Å; H200-H258 AromaticContact CE1-NE2 3.64Å; H200-H258 AromaticContact CG-CD2 3.47Å; H200-H258 VanDerWaalsContact CG-CD2 3.47Å; H200-H258 AromaticContact CG-CG 3.76Å; H200-H258 AromaticContact ND1-CD2 3.53Å; H200-H258 AromaticContact NE2-CD2 3.68Å; H200-H258 AromaticContact NE2-CE1 3.9Å; H200-H258 AromaticContact NE2-NE2 3.54Å; H200-S302 WeakPolarHBondContact O-CB 3.12Å; H200-S302 PolarHBondContact O-OG 3.22Å
201	F	96.5	Very high	93.8	Very high	42 Å²	42	44.8 Å²	44.8	18%	0.184	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	122.5	-171.2	178.7	-92.1	0	0	0	111.6	R195 F199 Q215 P219	R195-F201 WeakPolarHBondContact O-CD2 3.27Å; F199-F201 PolarHBondContact O-N 3.39Å; F199-F201 VanDerWaalsContact O-N 3.08Å; F201-Q215 HydrophobicContact CD2-CB 4.46Å; F201-Q215 HydrophobicContact CE1-CG 4.02Å; F201-Q215 HydrophobicContact CE2-CB 3.81Å; F201-Q215 HydrophobicContact CE2-CG 3.95Å; F201-Q215 VanDerWaalsContact CE2-O 3.28Å; F201-Q215 WeakPolarHBondContact CE2-O 3.34Å; F201-Q215 HydrophobicContact CZ-CB 3.96Å; F201-Q215 HydrophobicContact CZ-CG 3.54Å; F201-P219 HydrophobicContact CB-CG 3.9Å; F201-P219 HydrophobicContact CD1-CG 3.78Å; F201-P219 HydrophobicContact CD2-CB 4.16Å; F201-P219 HydrophobicContact CD2-CG 3.93Å; F201-P219 HydrophobicContact CE1-CG 4.22Å; F201-P219 HydrophobicContact CE2-CB 4.49Å; F201-P219 HydrophobicContact CE2-CG 4.35Å; F201-P219 HydrophobicContact CG-CB 4.32Å; F201-P219 HydrophobicContact CG-CG 3.61Å; F201-P219 HydrophobicContact CZ-CG 4.48Å
202	G	93.1	Very high	93.5	Very high	34 Å²	34	50 Å²	50	35%	0.351	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	3.8	-179.2	0	0	0	0	0	116.9	H200 S205	H200-G202 PolarHBondContact O-N 3.01Å; G202-S205 WeakPolarHBondContact CA-OG 3.4Å; G202-S205 PolarHBondContact N-OG 3.48Å
203	E	93.5	Very high	93.3	Very high	136 Å²	136	51 Å²	51	64%	0.636	29%	0.285	S	S	*	.	S	Bend	trans	-87.6	-26.2	176.9	-64.9	178.8	-150.2	0	0	113.4	H200 S302	H200-E203 HydrophobicContact CB-CB 4.35Å; H200-E203 HydrophobicContact CB-CG 4.33Å; H200-E203 IonicContact CE1-OE2 2.97Å; H200-E203 IonicContact CG-OE1 3.1Å; H200-E203 IonicContact CG-OE2 3.47Å; H200-E203 IonicContact ND1-OE1 2.96Å; H200-E203 PolarHBondContact ND1-OE1 2.89Å; H200-E203 VanDerWaalsContact ND1-OE1 3.09Å; H200-E203 IonicContact ND1-OE2 3.89Å; H200-E203 PolarHBondContact ND1-OE2 2.82Å; H200-E203 WeakPolarHBondContact O-CB 3.37Å; H200-E203 WeakPolarHBondContact O-CG 3.26Å; H200-E203 PolarHBondContact O-N 2.71Å; E203-S302 PolarHBondContact N-OG 2.84Å
204	G	87	Confident	93.2	Very high	26 Å²	26	51.8 Å²	51.8	27%	0.268	29%	0.287	S	S	.	.	S	Bend	trans	-143.3	33.6	-176.7	0	0	0	0	0	112.1	S302	G204-S302 VanDerWaalsContact C-OG 3.25Å; G204-S302 WeakPolarHBondContact CA-OG 3.42Å; G204-S302 PolarHBondContact N-OG 2.84Å; G204-S302 PolarHBondContact O-N 3Å
205	S	91.3	Very high	93.1	Very high	21 Å²	21	52.3 Å²	52.3	15%	0.147	29%	0.289	C	S	.	.	S	Bend	trans	-143.6	161.6	179.6	55.3	0	0	0	0	110.2	G202 Q215 S302	G202-S205 WeakPolarHBondContact CA-OG 3.4Å; G202-S205 PolarHBondContact N-OG 3.48Å; S205-Q215 PolarHBondContact O-OE1 2.95Å; S205-Q215 WeakPolarHBondContact OG-CB 3.42Å; S205-Q215 PolarHBondContact OG-OE1 3.48Å; S205-S302 PolarHBondContact N-OG 3.04Å; S205-S302 PolarHBondContact OG-OG 3.34Å
206	S	92.4	Very high	92.9	Very high	18 Å²	18	52 Å²	52	13%	0.126	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-88.9	140.7	-176	-168	0	0	0	0	111.9	N208 D211 T213 Y214 Q215	S206-N208 PolarHBondContact OG-N 3.41Å; S206-D211 VanDerWaalsContact CB-CB 3.49Å; S206-D211 WeakPolarHBondContact CB-OD2 3.28Å; S206-D211 WeakPolarHBondContact OG-CB 3.47Å; S206-D211 VanDerWaalsContact OG-CG 3.25Å; S206-D211 PolarHBondContact OG-OD2 3.23Å; S206-T213 WeakPolarHBondContact CB-OG1 3.17Å; S206-T213 PolarHBondContact N-O 2.92Å; S206-T213 VanDerWaalsContact N-O 3.09Å; S206-Y214 WeakPolarHBondContact O-CA 3.42Å; S206-Y214 WeakPolarHBondContact O-CD2 3.25Å; S206-Q215 WeakPolarHBondContact O-CG 3.1Å; S206-Q215 PolarHBondContact O-N 2.85Å; S206-Q215 PolarHBondContact O-OE1 3.49Å
207	N	92.1	Very high	92.8	Very high	131 Å²	131	56.1 Å²	56.1	70%	0.701	32%	0.316	S	S	*	.			trans	-94.2	-0.5	168.3	69.8	-3.3	0	0	0	112.7	P209 Y214	N207-P209 WeakPolarHBondContact O-CD 3.13Å; N207-Y214 WeakPolarHBondContact O-CE2 3.35Å
208	N	91.2	Very high	92.8	Very high	77 Å²	77	61.6 Å²	61.6	41%	0.412	34%	0.34	S	S	.	.			trans	-83.7	117.9	176.8	178.6	1.2	0	0	0	109.7	S206 C210 D211 Y214	S206-N208 PolarHBondContact OG-N 3.41Å; N208-C210 PolarHBondContact O-N 3.33Å; N208-C210 PolarHBondContact OD1-N 3.36Å; N208-C210 VanDerWaalsContact OD1-N 3.09Å; N208-D211 HydrophobicContact CB-CB 4.29Å; N208-D211 VanDerWaalsContact O-CB 3.3Å; N208-D211 WeakPolarHBondContact O-CB 3.49Å; N208-D211 PolarHBondContact O-N 2.9Å; N208-Y214 WeakPolarHBondContact O-CB 3.43Å; N208-Y214 WeakPolarHBondContact O-CD2 3.17Å
209	P	89.9	Confident	92.8	Very high	47 Å²	47	58.9 Å²	58.9	31%	0.305	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-6.9	-178.8	-20.2	32.3	0	0	0	116	T188 N207 Y214	T188-P209 WeakPolarHBondContact O-CB 3.47Å; N207-P209 WeakPolarHBondContact O-CD 3.13Å; P209-Y214 HydrophobicContact CB-CD1 4.21Å; P209-Y214 HydrophobicContact CB-CD2 4.49Å; P209-Y214 HydrophobicContact CB-CE1 4Å; P209-Y214 HydrophobicContact CB-CE2 4.31Å; P209-Y214 HydrophobicContact CB-CG 4.46Å; P209-Y214 HydrophobicContact CG-CD2 4.49Å; P209-Y214 HydrophobicContact CG-CE1 4.35Å; P209-Y214 HydrophobicContact CG-CE2 3.98Å
210	C	87.3	Confident	92.8	Very high	87 Å²	87	58.9 Å²	58.9	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.9	175.3	-61.1	0	0	0	0	113.6	N208	N208-C210 PolarHBondContact O-N 3.33Å; N208-C210 PolarHBondContact OD1-N 3.36Å; N208-C210 VanDerWaalsContact OD1-N 3.09Å
211	D	89.4	Confident	92.8	Very high	65 Å²	65	56.2 Å²	56.2	35%	0.348	32%	0.317	S	S	.	.	S	Bend	trans	-85.3	144	-178.7	-158.9	-52.1	0	0	0	110.9	S206 N208 T213 Y214	S206-D211 VanDerWaalsContact CB-CB 3.49Å; S206-D211 WeakPolarHBondContact CB-OD2 3.28Å; S206-D211 WeakPolarHBondContact OG-CB 3.47Å; S206-D211 VanDerWaalsContact OG-CG 3.25Å; S206-D211 PolarHBondContact OG-OD2 3.23Å; N208-D211 HydrophobicContact CB-CB 4.29Å; N208-D211 VanDerWaalsContact O-CB 3.3Å; N208-D211 WeakPolarHBondContact O-CB 3.49Å; N208-D211 PolarHBondContact O-N 2.9Å; D211-T213 PolarHBondContact O-N 3.11Å; D211-T213 PolarHBondContact OD1-N 2.87Å; D211-T213 PolarHBondContact OD1-OG1 2.87Å; D211-Y214 WeakPolarHBondContact O-CB 3.19Å; D211-Y214 PolarHBondContact O-N 2.9Å; D211-Y214 VanDerWaalsContact O-N 3.16Å
212	E	87	Confident	92.8	Very high	132 Å²	132	55 Å²	55	62%	0.617	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28	175.4	-67.9	-162	178.2	0	0	111.8	R118	R118-E212 IonicContact CZ-OE2 3.68Å; R118-E212 IonicContact NH1-OE1 2.93Å; R118-E212 IonicContact NH1-OE2 3.44Å; R118-E212 PolarHBondContact NH1-OE2 3.07Å; R118-E212 IonicContact NH2-OE2 2.61Å; R118-E212 PolarHBondContact NH2-OE2 3.35Å
213	T	91.4	Very high	93	Very high	37 Å²	37	54.7 Å²	54.7	23%	0.227	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	21.8	-179.4	63	0	0	0	0	113	S206 D211 Q215	S206-T213 WeakPolarHBondContact CB-OG1 3.17Å; S206-T213 PolarHBondContact N-O 2.92Å; S206-T213 VanDerWaalsContact N-O 3.09Å; D211-T213 PolarHBondContact O-N 3.11Å; D211-T213 PolarHBondContact OD1-N 2.87Å; D211-T213 PolarHBondContact OD1-OG1 2.87Å; T213-Q215 PolarHBondContact O-N 3.13Å; T213-Q215 VanDerWaalsContact O-N 3.1Å
214	Y	94.1	Very high	93.2	Very high	29 Å²	29	48.5 Å²	48.5	11%	0.114	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-59.3	116	-179.4	176.2	-128.1	0	0	0	111.3	V191 D192 S206 N207 N208 P209 D211 G216	V191-Y214 WeakPolarHBondContact CA-O 3.33Å; V191-Y214 HydrophobicContact CG2-CD1 3.81Å; V191-Y214 HydrophobicContact CG2-CE1 3.69Å; D192-Y214 PolarHBondContact N-O 3.33Å; S206-Y214 WeakPolarHBondContact O-CA 3.42Å; S206-Y214 WeakPolarHBondContact O-CD2 3.25Å; N207-Y214 WeakPolarHBondContact O-CE2 3.35Å; N208-Y214 WeakPolarHBondContact O-CB 3.43Å; N208-Y214 WeakPolarHBondContact O-CD2 3.17Å; P209-Y214 HydrophobicContact CB-CD1 4.21Å; P209-Y214 HydrophobicContact CB-CD2 4.49Å; P209-Y214 HydrophobicContact CB-CE1 4Å; P209-Y214 HydrophobicContact CB-CE2 4.31Å; P209-Y214 HydrophobicContact CB-CG 4.46Å; P209-Y214 HydrophobicContact CG-CD2 4.49Å; P209-Y214 HydrophobicContact CG-CE1 4.35Å; P209-Y214 HydrophobicContact CG-CE2 3.98Å; D211-Y214 WeakPolarHBondContact O-CB 3.19Å; D211-Y214 PolarHBondContact O-N 2.9Å; D211-Y214 VanDerWaalsContact O-N 3.16Å; Y214-G216 VanDerWaalsContact C-N 3.27Å; Y214-G216 VanDerWaalsContact CZ-CA 3.49Å; Y214-G216 PolarHBondContact O-N 3.01Å
215	Q	94.4	Very high	93.7	Very high	20 Å²	20	47.4 Å²	47.4	9%	0.093	26%	0.263	C	S	.	.			trans	-74.2	-13.5	-173.5	71	-162.5	45.3	0	0	114.8	R195 N196 F201 S205 S206 T213	R195-Q215 HydrophobicContact CB-CB 4.12Å; N196-Q215 PolarHBondContact ND2-O 3.35Å; F201-Q215 HydrophobicContact CD2-CB 4.46Å; F201-Q215 HydrophobicContact CE1-CG 4.02Å; F201-Q215 HydrophobicContact CE2-CB 3.81Å; F201-Q215 HydrophobicContact CE2-CG 3.95Å; F201-Q215 VanDerWaalsContact CE2-O 3.28Å; F201-Q215 WeakPolarHBondContact CE2-O 3.34Å; F201-Q215 HydrophobicContact CZ-CB 3.96Å; F201-Q215 HydrophobicContact CZ-CG 3.54Å; S205-Q215 PolarHBondContact O-OE1 2.95Å; S205-Q215 WeakPolarHBondContact OG-CB 3.42Å; S205-Q215 PolarHBondContact OG-OE1 3.48Å; S206-Q215 WeakPolarHBondContact O-CG 3.1Å; S206-Q215 PolarHBondContact O-N 2.85Å; S206-Q215 PolarHBondContact O-OE1 3.49Å; T213-Q215 PolarHBondContact O-N 3.13Å; T213-Q215 VanDerWaalsContact O-N 3.1Å
216	G	94	Very high	94	Very high	3 Å²	3	50.3 Å²	50.3	3%	0.031	27%	0.271	C	S	.	.			trans	87.4	173.2	-169.6	0	0	0	0	0	113.8	Y214 F218	Y214-G216 VanDerWaalsContact C-N 3.27Å; Y214-G216 VanDerWaalsContact CZ-CA 3.49Å; Y214-G216 PolarHBondContact O-N 3.01Å; G216-F218 PolarHBondContact O-N 2.67Å
217	P	94.6	Very high	94.3	Very high	87 Å²	87	49.7 Å²	49.7	57%	0.565	27%	0.267	S	S	*	.	S	Bend	trans	-72.1	-24.5	-173.9	27.9	-36.7	0	0	0	114.4
218	F	96.9	Very high	94.6	Very high	119 Å²	119	43.5 Å²	43.5	52%	0.522	23%	0.234	S	C	.	.	S	Bend	trans	-163.5	161.8	178.2	51.4	-97.4	0	0	0	109.9	N196 G216 F220 S221	N196-F218 PolarHBondContact ND2-O 2.81Å; G216-F218 PolarHBondContact O-N 2.67Å; F218-F220 PolarHBondContact O-N 3.07Å; F218-S221 VanDerWaalsContact CE2-CA 3.49Å; F218-S221 WeakPolarHBondContact O-CB 3.46Å; F218-S221 PolarHBondContact O-N 3Å; F218-S221 VanDerWaalsContact O-N 3.16Å; F218-S221 PolarHBondContact O-OG 3.14Å
219	P	97.8	Very high	95	Very high	38 Å²	38	43 Å²	43	25%	0.247	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.9	178	-19.9	28	0	0	0	112.4	N196 N198 F201 S221	N196-P219 CarbonylContact O-C 3.58Å; N196-P219 WeakPolarHBondContact O-CA 3.25Å; N198-P219 HydrophobicContact CB-CB 3.56Å; N198-P219 HydrophobicContact CB-CG 4.17Å; N198-P219 WeakPolarHBondContact OD1-CG 3.44Å; F201-P219 HydrophobicContact CB-CG 3.9Å; F201-P219 HydrophobicContact CD1-CG 3.78Å; F201-P219 HydrophobicContact CD2-CB 4.16Å; F201-P219 HydrophobicContact CD2-CG 3.93Å; F201-P219 HydrophobicContact CE1-CG 4.22Å; F201-P219 HydrophobicContact CE2-CB 4.49Å; F201-P219 HydrophobicContact CE2-CG 4.35Å; F201-P219 HydrophobicContact CG-CB 4.32Å; F201-P219 HydrophobicContact CG-CG 3.61Å; F201-P219 HydrophobicContact CZ-CG 4.48Å; P219-S221 VanDerWaalsContact C-N 3.26Å; P219-S221 PolarHBondContact O-N 3.07Å
220	F	97.7	Very high	95.4	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.079	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	32.5	-176.4	-49	-70.1	0	0	0	113.9	N196 F197 N198 F218 E222 A225 R226 R229 W308	N196-F220 PolarHBondContact O-N 3.4Å; N196-F220 VanDerWaalsContact OD1-CA 3.26Å; N196-F220 WeakPolarHBondContact OD1-CA 3.47Å; N196-F220 PolarHBondContact OD1-N 3.15Å; F197-F220 HydrophobicContact CB-CE1 4.21Å; F197-F220 HydrophobicContact CD1-CD1 4.38Å; F197-F220 AromaticContact CD1-CE1 3.48Å; F197-F220 HydrophobicContact CD1-CE1 3.48Å; F197-F220 VanDerWaalsContact CD1-CE1 3.48Å; F197-F220 HydrophobicContact CD1-CZ 4.22Å; F197-F220 HydrophobicContact CE1-CE1 4.03Å; F197-F220 HydrophobicContact CG-CE1 4.04Å; N198-F220 HydrophobicContact CB-CD2 4.1Å; N198-F220 HydrophobicContact CB-CE2 3.37Å; N198-F220 HydrophobicContact CB-CZ 3.95Å; F218-F220 PolarHBondContact O-N 3.07Å; F220-E222 PolarHBondContact O-N 3.37Å; F220-A225 HydrophobicContact CD1-CB 4.09Å; F220-R226 HydrophobicContact CB-CG 3.78Å; F220-R226 WeakPolarHBondContact O-CG 3.2Å; F220-R226 PolarHBondContact O-NH1 3.14Å; F220-R229 HydrophobicContact CD1-CB 3.99Å; F220-R229 HydrophobicContact CD1-CG 4.29Å; F220-R229 HydrophobicContact CE1-CB 3.7Å; F220-R229 HydrophobicContact CE1-CG 3.88Å; F220-R229 HydrophobicContact CE2-CG 4.22Å; F220-R229 HydrophobicContact CZ-CB 4.2Å; F220-R229 HydrophobicContact CZ-CG 3.85Å; F220-W308 HydrophobicContact CE1-CD2 4.43Å; F220-W308 HydrophobicContact CE1-CZ2 4.46Å; F220-W308 AromaticContact CZ-CD2 3.98Å; F220-W308 HydrophobicContact CZ-CD2 3.98Å; F220-W308 AromaticContact CZ-CE2 3.5Å; F220-W308 HydrophobicContact CZ-CG 4.34Å; F220-W308 AromaticContact CZ-CZ2 3.8Å; F220-W308 HydrophobicContact CZ-CZ2 3.8Å; F220-W308 AromaticContact CZ-NE1 3.56Å
221	S	96.9	Very high	95.9	Very high	14 Å²	14	41.3 Å²	41.3	10%	0.098	21%	0.208	C	C	.	.			trans	-62.7	-30.5	170.1	64.4	0	0	0	0	112.2	N196 F218 P219 R226	N196-S221 PolarHBondContact ND2-OG 3.04Å; N196-S221 PolarHBondContact OD1-N 2.92Å; N196-S221 VanDerWaalsContact OD1-N 3.08Å; F218-S221 VanDerWaalsContact CE2-CA 3.49Å; F218-S221 WeakPolarHBondContact O-CB 3.46Å; F218-S221 PolarHBondContact O-N 3Å; F218-S221 VanDerWaalsContact O-N 3.16Å; F218-S221 PolarHBondContact O-OG 3.14Å; P219-S221 VanDerWaalsContact C-N 3.26Å; P219-S221 PolarHBondContact O-N 3.07Å; S221-R226 PolarHBondContact O-NH1 3.24Å
222	E	96.4	Very high	96.3	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.075	19%	0.191	C	C	.	.	S	Bend	trans	-88.2	134.2	-178.5	-54.5	-42.5	106	0	0	111.3	R87 V191 L193 N196 F220 E224 A225 R226	R87-E222 IonicContact NE-OE2 3.93Å; V191-E222 HydrophobicContact CB-CG 3.6Å; V191-E222 HydrophobicContact CG1-CG 3.54Å; V191-E222 HydrophobicContact CG2-CG 4.12Å; V191-E222 WeakPolarHBondContact CG2-OE1 3.4Å; L193-E222 HydrophobicContact CD2-CB 3.44Å; L193-E222 VanDerWaalsContact CD2-CB 3.44Å; L193-E222 HydrophobicContact CD2-CG 3.69Å; N196-E222 PolarHBondContact OD1-N 3.24Å; N196-E222 VanDerWaalsContact OD1-N 3.08Å; F220-E222 PolarHBondContact O-N 3.37Å; E222-E224 PolarHBondContact O-N 3.15Å; E222-A225 HydrophobicContact CB-CB 4.49Å; E222-A225 PolarHBondContact O-N 2.8Å; E222-R226 PolarHBondContact O-N 2.65Å; E222-R226 VanDerWaalsContact O-N 3.13Å
223	P	97.3	Very high	96.8	Very high	27 Å²	27	36 Å²	36	18%	0.175	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-27.5	-179.7	28	-35.4	0	0	0	113	K85 R87 R226 A227	K85-P223 WeakPolarHBondContact O-CB 3.44Å; R87-P223 HydrophobicContact CB-CG 4.27Å; P223-R226 PolarHBondContact O-N 3.35Å; P223-A227 PolarHBondContact O-N 2.99Å
224	E	97.8	Very high	97	Very high	7 Å²	7	42 Å²	42	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-47.6	173.7	-60.5	77.2	-172.8	0	0	111.3	S86 R87 L92 L158 L193 E222 R226 A227 V228	S86-E224 WeakPolarHBondContact CA-OE1 3.49Å; S86-E224 WeakPolarHBondContact CB-OE1 3.46Å; R87-E224 PolarHBondContact N-OE1 3.35Å; L92-E224 HydrophobicContact CD1-CB 4.22Å; L92-E224 HydrophobicContact CD1-CG 4.11Å; L92-E224 HydrophobicContact CD2-CG 4.17Å; L158-E224 VanDerWaalsContact O-CG 3.27Å; L158-E224 WeakPolarHBondContact O-CG 3.47Å; L193-E224 HydrophobicContact CD1-CB 3.77Å; L193-E224 HydrophobicContact CD1-CG 4.09Å; L193-E224 HydrophobicContact CD2-CB 3.97Å; E222-E224 PolarHBondContact O-N 3.15Å; E224-R226 VanDerWaalsContact C-N 3.32Å; E224-R226 PolarHBondContact O-N 2.82Å; E224-A227 WeakPolarHBondContact O-CB 3.44Å; E224-A227 PolarHBondContact O-N 3.27Å; E224-V228 PolarHBondContact O-N 3.29Å
225	A	97.6	Very high	97	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-37.7	176.2	0	0	0	0	0	111.6	N196 F197 F220 E222 V228 R229	N196-A225 HydrophobicContact CB-CB 4.4Å; F197-A225 HydrophobicContact CE2-CB 4.04Å; F197-A225 HydrophobicContact CZ-CB 4.05Å; F220-A225 HydrophobicContact CD1-CB 4.09Å; E222-A225 HydrophobicContact CB-CB 4.49Å; E222-A225 PolarHBondContact O-N 2.8Å; A225-V228 PolarHBondContact O-N 2.91Å; A225-R229 WeakPolarHBondContact O-CB 3.45Å; A225-R229 PolarHBondContact O-N 3.1Å
226	R	98.6	Very high	97	Very high	83 Å²	83	47.7 Å²	47.7	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-39.2	174.2	-71.9	-168.4	-64.4	-89	2.7	112.9	F220 S221 E222 P223 E224 V228 R229 D230	F220-R226 HydrophobicContact CB-CG 3.78Å; F220-R226 WeakPolarHBondContact O-CG 3.2Å; F220-R226 PolarHBondContact O-NH1 3.14Å; S221-R226 PolarHBondContact O-NH1 3.24Å; E222-R226 PolarHBondContact O-N 2.65Å; E222-R226 VanDerWaalsContact O-N 3.13Å; P223-R226 PolarHBondContact O-N 3.35Å; E224-R226 VanDerWaalsContact C-N 3.32Å; E224-R226 PolarHBondContact O-N 2.82Å; R226-V228 VanDerWaalsContact C-N 3.34Å; R226-V228 PolarHBondContact O-N 3.49Å; R226-R229 WeakPolarHBondContact O-CB 3.44Å; R226-R229 PolarHBondContact O-N 3.48Å; R226-D230 WeakPolarHBondContact O-CB 3.36Å; R226-D230 PolarHBondContact O-N 2.94Å
227	A	98.6	Very high	96.9	Very high	5 Å²	5	53.2 Å²	53.2	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-44.2	179	0	0	0	0	0	111.7	I83 L92 P223 E224 F231	I83-A227 HydrophobicContact CD1-CB 4.36Å; I83-A227 HydrophobicContact CG1-CB 4.33Å; L92-A227 HydrophobicContact CD1-CB 3.63Å; P223-A227 PolarHBondContact O-N 2.99Å; E224-A227 WeakPolarHBondContact O-CB 3.44Å; E224-A227 PolarHBondContact O-N 3.27Å; A227-F231 PolarHBondContact O-N 3.12Å
228	V	98.6	Very high	96.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-44.2	175.2	-177.3	0	0	0	0	111	L158 F197 E224 A225 R226 D230 F231 V232 M305	L158-V228 HydrophobicContact CD1-CG2 3.7Å; L158-V228 HydrophobicContact CD2-CG2 3.84Å; L158-V228 HydrophobicContact CG-CG2 4.43Å; F197-V228 HydrophobicContact CE1-CB 4.26Å; F197-V228 HydrophobicContact CE1-CG1 4.33Å; F197-V228 HydrophobicContact CZ-CB 4.26Å; E224-V228 PolarHBondContact O-N 3.29Å; A225-V228 PolarHBondContact O-N 2.91Å; R226-V228 VanDerWaalsContact C-N 3.34Å; R226-V228 PolarHBondContact O-N 3.49Å; V228-D230 VanDerWaalsContact C-N 3.33Å; V228-D230 PolarHBondContact O-N 3.2Å; V228-F231 PolarHBondContact O-N 3.25Å; V228-V232 HydrophobicContact CG1-CG2 3.99Å; V228-V232 WeakPolarHBondContact O-CB 3.3Å; V228-V232 WeakPolarHBondContact O-CG2 3.36Å; V228-V232 PolarHBondContact O-N 2.97Å; V228-M305 HydrophobicContact CB-SD 4.21Å; V228-M305 HydrophobicContact CG1-CG 4.4Å; V228-M305 HydrophobicContact CG1-SD 3.7Å; V228-M305 HydrophobicContact CG2-SD 4.03Å
229	R	98.4	Very high	96.8	Very high	66 Å²	66	45.1 Å²	45.1	25%	0.249	22%	0.218	C	C	.	.	H	α-helix	trans	-53.2	-51.7	177.8	179	-159.8	67.7	-169.8	-1.7	111.6	F220 A225 R226 F231 V232 L233 W308	F220-R229 HydrophobicContact CD1-CB 3.99Å; F220-R229 HydrophobicContact CD1-CG 4.29Å; F220-R229 HydrophobicContact CE1-CB 3.7Å; F220-R229 HydrophobicContact CE1-CG 3.88Å; F220-R229 HydrophobicContact CE2-CG 4.22Å; F220-R229 HydrophobicContact CZ-CB 4.2Å; F220-R229 HydrophobicContact CZ-CG 3.85Å; A225-R229 WeakPolarHBondContact O-CB 3.45Å; A225-R229 PolarHBondContact O-N 3.1Å; R226-R229 WeakPolarHBondContact O-CB 3.44Å; R226-R229 PolarHBondContact O-N 3.48Å; R229-F231 VanDerWaalsContact C-N 3.34Å; R229-F231 PolarHBondContact O-N 2.98Å; R229-V232 PolarHBondContact O-N 3Å; R229-L233 HydrophobicContact CG-CD1 3.91Å; R229-L233 HydrophobicContact CG-CG 4.44Å; R229-L233 WeakPolarHBondContact O-CB 3.2Å; R229-L233 VanDerWaalsContact O-CG 3.3Å; R229-L233 WeakPolarHBondContact O-CG 3.27Å; R229-L233 PolarHBondContact O-N 2.82Å; R229-W308 VanDerWaalsContact CA-CH2 3.47Å; R229-W308 HydrophobicContact CB-CH2 3.85Å; R229-W308 HydrophobicContact CB-CZ2 4.3Å; R229-W308 HydrophobicContact CB-CZ3 4.36Å; R229-W308 HydrophobicContact CG-CH2 3.6Å; R229-W308 HydrophobicContact CG-CZ2 3.65Å
230	D	98.6	Very high	96.7	Very high	82 Å²	82	46.4 Å²	46.4	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-66.7	-38.6	-174.9	-65.4	-12.8	0	0	0	111	R226 V228 K234	R226-D230 WeakPolarHBondContact O-CB 3.36Å; R226-D230 PolarHBondContact O-N 2.94Å; V228-D230 VanDerWaalsContact C-N 3.33Å; V228-D230 PolarHBondContact O-N 3.2Å; D230-K234 VanDerWaalsContact O-CB 3.27Å; D230-K234 WeakPolarHBondContact O-CB 3.47Å; D230-K234 PolarHBondContact O-N 2.97Å; D230-K234 VanDerWaalsContact O-N 3.11Å
231	F	98	Very high	96.8	Very high	16 Å²	16	45.5 Å²	45.5	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-50.4	173.4	-178.6	-91.2	0	0	0	112.1	I83 M94 L101 L108 W110 C153 A227 V228 R229 L233 K234 H235	I83-F231 HydrophobicContact CG2-CD2 4.28Å; M94-F231 HydrophobicContact CE-CD2 3.73Å; M94-F231 HydrophobicContact CE-CE2 3.24Å; M94-F231 HydrophobicContact CE-CZ 3.89Å; L101-F231 HydrophobicContact CD1-CE2 4.31Å; L101-F231 HydrophobicContact CD1-CZ 4.32Å; L108-F231 HydrophobicContact CD1-CZ 4.42Å; L108-F231 HydrophobicContact CD2-CE1 3.85Å; L108-F231 HydrophobicContact CD2-CZ 3.94Å; W110-F231 HydrophobicContact CD2-CE1 4.26Å; W110-F231 AromaticContact CE3-CD1 3.6Å; W110-F231 HydrophobicContact CE3-CD1 3.6Å; W110-F231 AromaticContact CE3-CE1 3.18Å; W110-F231 HydrophobicContact CE3-CE1 3.18Å; W110-F231 AromaticContact CE3-CZ 3.87Å; W110-F231 HydrophobicContact CE3-CZ 3.87Å; W110-F231 HydrophobicContact CH2-CD1 4.08Å; W110-F231 HydrophobicContact CH2-CE1 4.4Å; W110-F231 HydrophobicContact CH2-CG 4.43Å; W110-F231 AromaticContact CZ3-CD1 3.32Å; W110-F231 HydrophobicContact CZ3-CD1 3.32Å; W110-F231 HydrophobicContact CZ3-CD2 4.31Å; W110-F231 AromaticContact CZ3-CE1 3.26Å; W110-F231 HydrophobicContact CZ3-CE1 3.26Å; W110-F231 HydrophobicContact CZ3-CE2 4.26Å; W110-F231 AromaticContact CZ3-CG 3.88Å; W110-F231 HydrophobicContact CZ3-CG 3.88Å; W110-F231 AromaticContact CZ3-CZ 3.76Å; W110-F231 HydrophobicContact CZ3-CZ 3.76Å; C153-F231 HydrophobicContact CB-CZ 4.02Å; A227-F231 PolarHBondContact O-N 3.12Å; V228-F231 PolarHBondContact O-N 3.25Å; R229-F231 VanDerWaalsContact C-N 3.34Å; R229-F231 PolarHBondContact O-N 2.98Å; F231-L233 PolarHBondContact O-N 3.1Å; F231-K234 PolarHBondContact O-N 2.83Å; F231-H235 AromaticContact CD2-CD2 3.62Å; F231-H235 AromaticContact CE2-CD2 3.38Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.05Å; F231-H235 AromaticContact CE2-NE2 3.74Å; F231-H235 AromaticContact CZ-CD2 3.72Å; F231-H235 PolarHBondContact O-CD2 2.94Å; F231-H235 VanDerWaalsContact O-CD2 3.29Å; F231-H235 PolarHBondContact O-N 2.9Å
232	V	98	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-46.1	-178.5	168.4	0	0	0	0	111.1	V228 R229 K234 H235 R236 L239 F242 W308 V309 V312 A313	V228-V232 HydrophobicContact CG1-CG2 3.99Å; V228-V232 WeakPolarHBondContact O-CB 3.3Å; V228-V232 WeakPolarHBondContact O-CG2 3.36Å; V228-V232 PolarHBondContact O-N 2.97Å; R229-V232 PolarHBondContact O-N 3Å; V232-K234 VanDerWaalsContact C-N 3.32Å; V232-K234 PolarHBondContact O-N 3.16Å; V232-H235 CarbonylContact O-C 3.55Å; V232-H235 PolarHBondContact O-N 3.03Å; V232-R236 WeakPolarHBondContact O-CA 3.27Å; V232-R236 WeakPolarHBondContact O-CB 3.31Å; V232-R236 PolarHBondContact O-N 2.96Å; V232-L239 HydrophobicContact CG1-CD2 4.16Å; V232-L239 HydrophobicContact CG2-CD2 4.44Å; V232-F242 HydrophobicContact CG2-CE2 4.29Å; V232-W308 HydrophobicContact CB-CH2 4.09Å; V232-W308 HydrophobicContact CB-CZ3 3.87Å; V232-W308 HydrophobicContact CG1-CH2 4.06Å; V232-W308 HydrophobicContact CG1-CZ3 3.86Å; V232-W308 HydrophobicContact CG2-CZ3 4.22Å; V232-V309 HydrophobicContact CG1-CG1 4.14Å; V232-V309 HydrophobicContact CG1-CG2 4.27Å; V232-V309 HydrophobicContact CG2-CG2 3.97Å; V232-V312 HydrophobicContact CG1-CG2 4.43Å; V232-A313 HydrophobicContact CG1-CB 3.88Å
233	L	97.4	Very high	97	Very high	85 Å²	85	44.1 Å²	44.1	45%	0.445	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-38.1	179.5	-69.1	177.7	0	0	0	112.1	R229 F231 H235 W308 V312	R229-L233 HydrophobicContact CG-CD1 3.91Å; R229-L233 HydrophobicContact CG-CG 4.44Å; R229-L233 WeakPolarHBondContact O-CB 3.2Å; R229-L233 VanDerWaalsContact O-CG 3.3Å; R229-L233 WeakPolarHBondContact O-CG 3.27Å; R229-L233 PolarHBondContact O-N 2.82Å; F231-L233 PolarHBondContact O-N 3.1Å; L233-H235 VanDerWaalsContact C-N 3.34Å; L233-W308 HydrophobicContact CD2-CH2 4.45Å; L233-W308 HydrophobicContact CD2-CZ2 4.35Å; L233-W308 HydrophobicContact CG-CH2 4.23Å; L233-W308 HydrophobicContact CG-CZ2 4.4Å; L233-V312 HydrophobicContact CD2-CG2 4.34Å
234	K	95.8	Very high	97.1	Very high	165 Å²	165	42.8 Å²	42.8	72%	0.717	20%	0.2	S	C	*	.	H	α-helix	trans	-66.7	-34.1	177.3	-177.8	179.7	175.9	-172.8	0	112.8	D230 F231 V232	D230-K234 VanDerWaalsContact O-CB 3.27Å; D230-K234 WeakPolarHBondContact O-CB 3.47Å; D230-K234 PolarHBondContact O-N 2.97Å; D230-K234 VanDerWaalsContact O-N 3.11Å; F231-K234 PolarHBondContact O-N 2.83Å; V232-K234 VanDerWaalsContact C-N 3.32Å; V232-K234 PolarHBondContact O-N 3.16Å
235	H	94.6	Very high	97.1	Very high	34 Å²	34	42.5 Å²	42.5	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-112.4	15.5	-172.8	-63.7	-72.7	0	0	0	114.1	L108 F231 V232 L233 D237 A238 L239	L108-H235 HydrophobicContact CD2-CB 3.57Å; F231-H235 AromaticContact CD2-CD2 3.62Å; F231-H235 AromaticContact CE2-CD2 3.38Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.05Å; F231-H235 AromaticContact CE2-NE2 3.74Å; F231-H235 AromaticContact CZ-CD2 3.72Å; F231-H235 PolarHBondContact O-CD2 2.94Å; F231-H235 VanDerWaalsContact O-CD2 3.29Å; F231-H235 PolarHBondContact O-N 2.9Å; V232-H235 CarbonylContact O-C 3.55Å; V232-H235 PolarHBondContact O-N 3.03Å; L233-H235 VanDerWaalsContact C-N 3.34Å; H235-D237 VanDerWaalsContact C-N 3.29Å; H235-D237 PolarHBondContact O-N 2.95Å; H235-D237 VanDerWaalsContact O-N 3.15Å; H235-A238 PolarHBondContact O-N 3.24Å; H235-A238 VanDerWaalsContact O-N 3.09Å; H235-L239 PolarHBondContact O-N 3.23Å
236	R	93.9	Very high	97.1	Very high	133 Å²	133	42.4 Å²	42.4	50%	0.502	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-41.4	-171.4	79.1	-176.1	-173.2	-165.6	-5.3	113.8	V232 A238 L239 A313	V232-R236 WeakPolarHBondContact O-CA 3.27Å; V232-R236 WeakPolarHBondContact O-CB 3.31Å; V232-R236 PolarHBondContact O-N 2.96Å; R236-A238 VanDerWaalsContact C-N 3.32Å; R236-A238 PolarHBondContact O-N 3.15Å; R236-L239 PolarHBondContact O-N 3.07Å; R236-A313 HydrophobicContact CB-CB 4.21Å
237	D	91.5	Very high	96.9	Very high	120 Å²	120	38.5 Å²	38.5	64%	0.642	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-29.6	-173.2	-59	-28.1	0	0	0	111.4	H235 K240	H235-D237 VanDerWaalsContact C-N 3.29Å; H235-D237 PolarHBondContact O-N 2.95Å; H235-D237 VanDerWaalsContact O-N 3.15Å; D237-K240 PolarHBondContact O-NZ 3Å
238	A	93.4	Very high	96.7	Very high	31 Å²	31	40.5 Å²	40.5	26%	0.256	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-25.7	177.3	0	0	0	0	0	112.6	L108 H235 R236 K240	L108-A238 HydrophobicContact CB-CB 4.15Å; L108-A238 WeakPolarHBondContact CB-O 3.21Å; L108-A238 PolarHBondContact N-O 3.36Å; H235-A238 PolarHBondContact O-N 3.24Å; H235-A238 VanDerWaalsContact O-N 3.09Å; R236-A238 VanDerWaalsContact C-N 3.32Å; R236-A238 PolarHBondContact O-N 3.15Å; A238-K240 WeakPolarHBondContact O-CG 3.42Å; A238-K240 PolarHBondContact O-N 3.44Å; A238-K240 VanDerWaalsContact O-N 3.17Å
239	L	96.1	Very high	96.6	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	109	-176.2	-176.6	62.9	0	0	0	111.2	L108 W110 V232 H235 R236 A241 F242 V309 A313 V315	L108-L239 HydrophobicContact CD2-CB 4.2Å; L108-L239 HydrophobicContact CD2-CD1 3.97Å; L108-L239 HydrophobicContact CG-CD1 3.8Å; W110-L239 HydrophobicContact CB-CD1 3.82Å; V232-L239 HydrophobicContact CG1-CD2 4.16Å; V232-L239 HydrophobicContact CG2-CD2 4.44Å; H235-L239 PolarHBondContact O-N 3.23Å; R236-L239 PolarHBondContact O-N 3.07Å; L239-A241 WeakPolarHBondContact CD1-O 3.2Å; L239-F242 HydrophobicContact CD2-CD2 4.39Å; L239-V309 HydrophobicContact CD2-CG1 3.79Å; L239-A313 HydrophobicContact CD2-CB 4.08Å; L239-V315 HydrophobicContact CD2-CB 4.37Å; L239-V315 HydrophobicContact CD2-CG2 4.46Å; L239-V315 HydrophobicContact CG-CB 4.24Å; L239-V315 HydrophobicContact CG-CG2 3.9Å
240	K	96.7	Very high	96.6	Very high	65 Å²	65	39.5 Å²	39.5	28%	0.283	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-24.7	-179.6	-58.1	-49.3	178.6	-170.5	0	113.9	S107 L108 D237 A238 V315 Y317 V358	S107-K240 WeakPolarHBondContact OG-CG 3.21Å; L108-K240 PolarHBondContact O-N 3.03Å; D237-K240 PolarHBondContact O-NZ 3Å; A238-K240 WeakPolarHBondContact O-CG 3.42Å; A238-K240 PolarHBondContact O-N 3.44Å; A238-K240 VanDerWaalsContact O-N 3.17Å; K240-V315 WeakPolarHBondContact O-CG2 3.45Å; K240-Y317 PolarHBondContact O-N 3.09Å; K240-V358 HydrophobicContact CB-CG1 3.66Å; K240-V358 HydrophobicContact CB-CG2 4.41Å; K240-V358 HydrophobicContact CG-CG1 4.32Å
241	A	98.6	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.8	172.1	0	0	0	0	0	111.7	L108 F109 W110 L239 Y317 V354 V358	L108-A241 PolarHBondContact O-N 3.4Å; F109-A241 HydrophobicContact CD1-CB 4.2Å; F109-A241 HydrophobicContact CD2-CB 3.5Å; F109-A241 VanDerWaalsContact CD2-CB 3.5Å; F109-A241 HydrophobicContact CE1-CB 4.12Å; F109-A241 HydrophobicContact CE2-CB 3.4Å; F109-A241 VanDerWaalsContact CE2-CB 3.4Å; F109-A241 HydrophobicContact CG-CB 3.9Å; F109-A241 HydrophobicContact CZ-CB 3.74Å; W110-A241 PolarHBondContact N-O 2.94Å; L239-A241 WeakPolarHBondContact CD1-O 3.2Å; A241-Y317 CarbonylContact C-O 3.58Å; A241-Y317 WeakPolarHBondContact CA-O 3.13Å; A241-V354 HydrophobicContact CB-CG1 4.24Å; A241-V358 HydrophobicContact CB-CG2 3.73Å
242	F	98.8	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	119.4	176.2	-174.3	-82	0	0	0	108.7	W110 V232 L239 D244 M305 V309 V315 Y317 C318 Y319	W110-F242 HydrophobicContact CB-CD2 3.84Å; W110-F242 HydrophobicContact CB-CE2 4.42Å; W110-F242 AromaticContact CD1-CD2 3.2Å; W110-F242 AromaticContact CD1-CE2 3.05Å; W110-F242 AromaticContact CD1-CG 3.9Å; W110-F242 AromaticContact CD1-CZ 3.63Å; W110-F242 HydrophobicContact CD2-CE2 4.26Å; W110-F242 AromaticContact CE2-CE2 4Å; W110-F242 AromaticContact CG-CD2 3.59Å; W110-F242 HydrophobicContact CG-CD2 3.59Å; W110-F242 AromaticContact CG-CE2 3.69Å; W110-F242 HydrophobicContact CG-CE2 3.69Å; W110-F242 HydrophobicContact CG-CG 4.48Å; W110-F242 AromaticContact NE1-CD2 3.92Å; W110-F242 AromaticContact NE1-CE2 3.25Å; W110-F242 AromaticContact NE1-CZ 3.58Å; V232-F242 HydrophobicContact CG2-CE2 4.29Å; L239-F242 HydrophobicContact CD2-CD2 4.39Å; F242-D244 HydrophobicContact CE1-CB 4.11Å; F242-M305 HydrophobicContact CE1-CE 4.29Å; F242-M305 HydrophobicContact CE1-CG 4.15Å; F242-M305 HydrophobicContact CZ-CE 3.99Å; F242-M305 HydrophobicContact CZ-CG 3.78Å; F242-M305 HydrophobicContact CZ-SD 3.9Å; F242-V309 HydrophobicContact CB-CG1 4.09Å; F242-V309 HydrophobicContact CD1-CB 4.46Å; F242-V309 HydrophobicContact CD1-CG1 4.4Å; F242-V309 HydrophobicContact CD2-CB 4.32Å; F242-V309 HydrophobicContact CD2-CG1 3.71Å; F242-V309 HydrophobicContact CD2-CG2 4.06Å; F242-V309 HydrophobicContact CE1-CG2 4.22Å; F242-V309 HydrophobicContact CE2-CB 4.45Å; F242-V309 HydrophobicContact CE2-CG1 4.23Å; F242-V309 HydrophobicContact CE2-CG2 3.72Å; F242-V309 HydrophobicContact CG-CB 4.33Å; F242-V309 HydrophobicContact CG-CG1 3.81Å; F242-V309 HydrophobicContact CG-CG2 4.45Å; F242-V309 HydrophobicContact CZ-CG2 3.83Å; F242-V315 HydrophobicContact CB-CG1 4.3Å; F242-V315 HydrophobicContact CB-CG2 4.36Å; F242-Y317 PolarHBondContact N-O 2.9Å; F242-C318 CarbonylContact O-C 3.58Å; F242-C318 WeakPolarHBondContact O-CA 3.47Å; F242-Y319 PolarHBondContact O-N 2.68Å
243	I	98.9	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.6	177	-63.6	-175.5	0	0	0	109.1	F109 W110 I111 S112 L245 Y319 I321 I351 V354	F109-I243 HydrophobicContact CE1-CD1 3.8Å; F109-I243 HydrophobicContact CE1-CG1 4.13Å; F109-I243 HydrophobicContact CZ-CD1 3.7Å; F109-I243 HydrophobicContact CZ-CG1 4.31Å; W110-I243 PolarHBondContact O-N 2.82Å; I111-I243 CarbonylContact C-O 3.4Å; I111-I243 VanDerWaalsContact CA-O 3.28Å; I111-I243 WeakPolarHBondContact CA-O 3.21Å; I111-I243 HydrophobicContact CG1-CB 4.48Å; S112-I243 PolarHBondContact N-O 3.34Å; I243-L245 HydrophobicContact CG2-CD2 3.74Å; I243-L245 HydrophobicContact CG2-CG 4.37Å; I243-Y319 WeakPolarHBondContact CA-O 3.34Å; I243-Y319 HydrophobicContact CG1-CD2 4.43Å; I243-I321 HydrophobicContact CD1-CD1 4.46Å; I243-I321 HydrophobicContact CG2-CD1 3.56Å; I243-I321 HydrophobicContact CG2-CG1 4Å; I243-I351 HydrophobicContact CD1-CB 4.43Å; I243-I351 HydrophobicContact CD1-CG1 3.83Å; I243-I351 HydrophobicContact CD1-CG2 4.23Å; I243-V354 HydrophobicContact CD1-CB 4.4Å; I243-V354 HydrophobicContact CD1-CG1 4.43Å; I243-V354 HydrophobicContact CD1-CG2 4.23Å
244	D	98.7	Very high	96.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.7	173.2	-163.3	26.1	0	0	0	110.4	S112 F242 H246 M305 Y319 L320 I321	S112-D244 PolarHBondContact OG-OD1 3.35Å; F242-D244 HydrophobicContact CE1-CB 4.11Å; D244-H246 IonicContact OD2-CD2 3.91Å; D244-H246 PolarHBondContact OD2-CD2 2.96Å; D244-H246 IonicContact OD2-NE2 2.84Å; D244-H246 PolarHBondContact OD2-NE2 3.44Å; D244-M305 HydrophobicContact CB-CE 4.05Å; D244-M305 WeakPolarHBondContact OD1-CE 3.23Å; D244-M305 WeakPolarHBondContact OD2-CE 3.29Å; D244-Y319 PolarHBondContact N-O 2.93Å; D244-L320 CarbonylContact O-C 3.43Å; D244-L320 WeakPolarHBondContact O-CA 3.37Å; D244-I321 PolarHBondContact O-N 3.44Å
245	L	98.8	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.5	-176.9	-58.6	179.3	0	0	0	110.3	I111 S112 A113 S122 T125 A126 I129 I243 I321 L323 T347 I351	I111-L245 HydrophobicContact CG2-CD1 3.8Å; I111-L245 HydrophobicContact CG2-CG 4.03Å; S112-L245 WeakPolarHBondContact O-CB 3.33Å; S112-L245 WeakPolarHBondContact O-CG 3.34Å; S112-L245 PolarHBondContact O-N 3.37Å; A113-L245 HydrophobicContact CB-CB 4.08Å; A113-L245 HydrophobicContact CB-CD1 4.47Å; S122-L245 VanDerWaalsContact CB-O 3.27Å; S122-L245 WeakPolarHBondContact CB-O 3.41Å; T125-L245 HydrophobicContact CG2-CD1 4.05Å; A126-L245 HydrophobicContact CB-CD1 4.35Å; I129-L245 HydrophobicContact CD1-CD1 4.42Å; I243-L245 HydrophobicContact CG2-CD2 3.74Å; I243-L245 HydrophobicContact CG2-CG 4.37Å; L245-I321 HydrophobicContact CD2-CB 4.16Å; L245-I321 HydrophobicContact CD2-CD1 4.1Å; L245-I321 HydrophobicContact CD2-CG1 4.49Å; L245-L323 HydrophobicContact CD2-CD2 4.45Å; L245-T347 HydrophobicContact CD2-CG2 4.16Å; L245-I351 HydrophobicContact CD2-CD1 4.39Å
246	H	97.5	Very high	96.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	169.6	178.9	-82.4	-88.9	0	0	0	111.2	H116 E119 N194 D244 L320 I321 E322 L323	H116-H246 AromaticContact CE1-CE1 3.44Å; H116-H246 PolarHBondContact CE1-CE1 3.48Å; H116-H246 VanDerWaalsContact CE1-CE1 3.44Å; H116-H246 AromaticContact CE1-ND1 3.66Å; H116-H246 AromaticContact CG-CE1 3.93Å; H116-H246 AromaticContact ND1-CE1 3.39Å; H116-H246 PolarHBondContact ND1-CE1 3.28Å; H116-H246 AromaticContact ND1-ND1 3.28Å; H116-H246 PolarHBondContact ND1-ND1 3.2Å; H116-H246 AromaticContact NE2-CE1 3.97Å; E119-H246 IonicContact OE1-ND1 3.94Å; E119-H246 WeakPolarHBondContact OE2-CA 3.45Å; E119-H246 VanDerWaalsContact OE2-CB 3.28Å; E119-H246 WeakPolarHBondContact OE2-CB 3.47Å; E119-H246 IonicContact OE2-CE1 3.36Å; E119-H246 IonicContact OE2-CG 2.61Å; E119-H246 IonicContact OE2-ND1 3.31Å; E119-H246 PolarHBondContact OE2-ND1 2.97Å; N194-H246 PolarHBondContact ND2-NE2 3.49Å; D244-H246 IonicContact OD2-CD2 3.91Å; D244-H246 PolarHBondContact OD2-CD2 2.96Å; D244-H246 IonicContact OD2-NE2 2.84Å; D244-H246 PolarHBondContact OD2-NE2 3.44Å; H246-L320 HydrophobicContact CB-CD2 4.2Å; H246-L320 VanDerWaalsContact CD2-CD1 3.47Å; H246-L320 WeakPolarHBondContact CD2-CD1 3.17Å; H246-I321 CarbonylContact C-O 3.54Å; H246-I321 PolarHBondContact N-O 2.67Å; H246-I321 VanDerWaalsContact O-O 3.06Å; H246-E322 WeakPolarHBondContact CB-OE2 3.28Å; H246-L323 WeakPolarHBondContact O-CB 3.44Å; H246-L323 VanDerWaalsContact O-CG 3.23Å; H246-L323 WeakPolarHBondContact O-CG 3.32Å; H246-L323 PolarHBondContact O-N 3.46Å
247	T	94.8	Very high	96.9	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.1	165.8	66.1	0	0	0	0	108.7	E119 A121 E322 L323 F333	E119-T247 VanDerWaalsContact CA-OG1 3.25Å; E119-T247 WeakPolarHBondContact CA-OG1 3.29Å; E119-T247 HydrophobicContact CB-CG2 4.44Å; E119-T247 WeakPolarHBondContact CB-OG1 3.39Å; E119-T247 VanDerWaalsContact CG-O 3.23Å; E119-T247 WeakPolarHBondContact CG-O 3.26Å; E119-T247 VanDerWaalsContact CG-OG1 3.26Å; E119-T247 WeakPolarHBondContact CG-OG1 3.29Å; E119-T247 VanDerWaalsContact OE1-O 3.09Å; E119-T247 PolarHBondContact OE2-N 2.9Å; A121-T247 HydrophobicContact CB-CG2 3.81Å; T247-E322 VanDerWaalsContact CA-OE2 3.3Å; T247-E322 WeakPolarHBondContact CA-OE2 3.33Å; T247-E322 PolarHBondContact N-OE2 2.64Å; T247-L323 HydrophobicContact CG2-CB 3.85Å; T247-L323 HydrophobicContact CG2-CD1 4.38Å; T247-L323 HydrophobicContact CG2-CG 4.43Å; T247-F333 WeakPolarHBondContact O-CE1 3.29Å
248	Y	94.1	Very high	97.1	Very high	47 Å²	47	13.6 Å²	13.6	18%	0.184	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-133.3	160.3	1.5	65	-83.3	0	0	0	109	E322 L323 P325 V329 F333	Y248-E322 PolarHBondContact N-OE2 3.01Å; Y248-L323 WeakPolarHBondContact CA-O 3.43Å; Y248-P325 HydrophobicContact CD2-CG 4.32Å; Y248-V329 WeakPolarHBondContact CE2-O 3.47Å; Y248-V329 PolarHBondContact OH-O 3.39Å; Y248-F333 AromaticContact CD1-CD1 3.76Å; Y248-F333 HydrophobicContact CD1-CD1 3.76Å; Y248-F333 HydrophobicContact CD1-CD2 4.28Å; Y248-F333 AromaticContact CD1-CE1 3.76Å; Y248-F333 HydrophobicContact CD1-CE1 3.76Å; Y248-F333 HydrophobicContact CD1-CE2 4.26Å; Y248-F333 HydrophobicContact CD1-CG 4.03Å; Y248-F333 AromaticContact CD1-CZ 3.99Å; Y248-F333 HydrophobicContact CD1-CZ 3.99Å; Y248-F333 HydrophobicContact CE1-CD1 4.15Å; Y248-F333 AromaticContact CE1-CD2 3.84Å; Y248-F333 HydrophobicContact CE1-CD2 3.84Å; Y248-F333 HydrophobicContact CE1-CE1 4.01Å; Y248-F333 AromaticContact CE1-CE2 3.68Å; Y248-F333 HydrophobicContact CE1-CE2 3.68Å; Y248-F333 HydrophobicContact CE1-CG 4.07Å; Y248-F333 AromaticContact CE1-CZ 3.76Å; Y248-F333 HydrophobicContact CE1-CZ 3.76Å
249	S	96.3	Very high	97.2	Very high	17 Å²	17	20.2 Å²	20.2	12%	0.119	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-7.6	161.8	-82.4	0	0	0	0	111.8	L323 P325	S249-L323 PolarHBondContact N-O 3.28Å; S249-L323 VanDerWaalsContact N-O 3.14Å; S249-P325 WeakPolarHBondContact CA-O 3.27Å; S249-P325 PolarHBondContact N-O 2.81Å
250	Q	97.8	Very high	97.1	Very high	28 Å²	28	24.3 Å²	24.3	13%	0.131	11%	0.112	C	C	.	.			trans	59.9	59.6	-169.7	-58.3	172.3	176.4	0	0	111.6	T287 R288 Y289 K290 E322 L323 R324	Q250-T287 HydrophobicContact CG-CG2 4.3Å; Q250-T287 VanDerWaalsContact OE1-CG2 3.29Å; Q250-R288 WeakPolarHBondContact CB-O 3.3Å; Q250-R288 PolarHBondContact NE2-O 2.56Å; Q250-Y289 HydrophobicContact CB-CD1 4.06Å; Q250-Y289 HydrophobicContact CB-CD2 3.8Å; Q250-Y289 HydrophobicContact CB-CE1 4.13Å; Q250-Y289 HydrophobicContact CB-CE2 3.85Å; Q250-Y289 HydrophobicContact CB-CG 3.89Å; Q250-Y289 HydrophobicContact CG-CD2 4.25Å; Q250-Y289 HydrophobicContact CG-CE2 3.84Å; Q250-Y289 CarbonylContact O-C 3.53Å; Q250-Y289 WeakPolarHBondContact O-CA 3.37Å; Q250-K290 PolarHBondContact O-N 3.19Å; Q250-E322 CarbonylContact C-O 3.57Å; Q250-E322 WeakPolarHBondContact CA-O 3.12Å; Q250-E322 PolarHBondContact N-O 3.46Å; Q250-E322 VanDerWaalsContact N-O 3.11Å; Q250-L323 PolarHBondContact N-O 3.04Å; Q250-L323 VanDerWaalsContact N-O 3.11Å; Q250-R324 HydrophobicContact CG-CG 4.43Å
251	L	98.2	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.9	178.3	-51.2	175.9	0	0	0	110.6	I253 K290 T297 L298 I321 E322	L251-I253 HydrophobicContact CB-CD1 3.88Å; L251-I253 HydrophobicContact CB-CG1 3.82Å; L251-I253 HydrophobicContact CD1-CD1 4Å; L251-K290 WeakPolarHBondContact CA-O 3.47Å; L251-K290 HydrophobicContact CD2-CB 3.76Å; L251-K290 HydrophobicContact CD2-CD 4.08Å; L251-K290 HydrophobicContact CD2-CG 4.26Å; L251-T297 HydrophobicContact CD1-CG2 4.43Å; L251-T297 HydrophobicContact CD2-CG2 3.87Å; L251-L298 HydrophobicContact CD1-CB 4.34Å; L251-L298 HydrophobicContact CD1-CD1 3.78Å; L251-I321 CarbonylContact O-C 3.55Å; L251-I321 WeakPolarHBondContact O-CA 3.33Å; L251-E322 HydrophobicContact CB-CB 3.9Å; L251-E322 HydrophobicContact CB-CG 4.15Å; L251-E322 HydrophobicContact CD1-CG 4.31Å; L251-E322 HydrophobicContact CG-CB 4.26Å; L251-E322 HydrophobicContact CG-CG 4.48Å; L251-E322 PolarHBondContact N-O 2.62Å; L251-E322 PolarHBondContact O-N 3.34Å
252	W	98.6	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	96	169.7	-164.6	-60.6	0	0	0	108.3	A274 A277 V278 K290 V291 G292 Y319 I321 V354	W252-A274 VanDerWaalsContact CD1-CB 3.4Å; W252-A274 HydrophobicContact CG-CB 4.1Å; W252-A277 HydrophobicContact CD2-CB 4.39Å; W252-A277 HydrophobicContact CE3-CB 4.24Å; W252-A277 HydrophobicContact CH2-CB 3.58Å; W252-A277 HydrophobicContact CZ2-CB 3.73Å; W252-A277 HydrophobicContact CZ3-CB 3.84Å; W252-V278 HydrophobicContact CB-CG1 3.65Å; W252-V278 HydrophobicContact CD2-CG1 4.08Å; W252-V278 HydrophobicContact CE3-CG1 3.84Å; W252-V278 HydrophobicContact CG-CG1 4.04Å; W252-K290 PolarHBondContact N-O 3Å; W252-V291 HydrophobicContact CB-CG2 4.17Å; W252-V291 WeakPolarHBondContact O-CA 3.28Å; W252-G292 PolarHBondContact O-N 2.68Å; W252-Y319 AromaticContact CD1-CD1 3.49Å; W252-Y319 VanDerWaalsContact CD1-CD1 3.49Å; W252-Y319 AromaticContact CD1-CE1 3.93Å; W252-Y319 AromaticContact CD1-CG 3.98Å; W252-Y319 HydrophobicContact CZ2-CD2 4.49Å; W252-Y319 AromaticContact NE1-CD1 3.12Å; W252-Y319 AromaticContact NE1-CD2 3.76Å; W252-Y319 AromaticContact NE1-CE1 3.5Å; W252-Y319 AromaticContact NE1-CG 3.26Å; W252-Y319 VanDerWaalsContact NE1-CG 3.26Å; W252-Y319 AromaticContact NE1-CZ 3.95Å; W252-I321 HydrophobicContact CD2-CD1 4.18Å; W252-I321 HydrophobicContact CD2-CG1 4.2Å; W252-I321 HydrophobicContact CE3-CD1 4.01Å; W252-I321 HydrophobicContact CE3-CG1 4.33Å; W252-I321 HydrophobicContact CE3-CG2 4.31Å; W252-I321 HydrophobicContact CH2-CD1 3.55Å; W252-I321 HydrophobicContact CZ2-CD1 3.74Å; W252-I321 HydrophobicContact CZ2-CG1 4.44Å; W252-I321 HydrophobicContact CZ3-CD1 3.7Å; W252-V354 HydrophobicContact CH2-CG2 4.26Å; W252-V354 HydrophobicContact CZ2-CG2 3.63Å
253	I	98.2	Very high	96.8	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.077	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.2	-166.7	-67.5	168	0	0	0	110.1	L251 G292 G294 Y319 L320 E322	L251-I253 HydrophobicContact CB-CD1 3.88Å; L251-I253 HydrophobicContact CB-CG1 3.82Å; L251-I253 HydrophobicContact CD1-CD1 4Å; I253-G292 WeakPolarHBondContact CA-O 3.35Å; I253-G294 VanDerWaalsContact CG2-CA 3.49Å; I253-G294 VanDerWaalsContact CG2-N 3.3Å; I253-Y319 CarbonylContact O-C 3.59Å; I253-Y319 WeakPolarHBondContact O-CA 3.3Å; I253-L320 WeakPolarHBondContact CA-O 3.34Å; I253-L320 HydrophobicContact CB-CB 4.24Å; I253-L320 HydrophobicContact CB-CD2 4.36Å; I253-L320 WeakPolarHBondContact CB-O 3.39Å; I253-L320 HydrophobicContact CD1-CD2 3.84Å; I253-L320 HydrophobicContact CG2-CB 4.45Å; I253-L320 PolarHBondContact N-O 3.48Å; I253-L320 PolarHBondContact O-N 2.61Å; I253-E322 HydrophobicContact CD1-CG 4.09Å
254	H	97.7	Very high	96.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	159	167.6	65.4	73.8	0	0	0	110.7	Y263 L270 K271 G292 S293 Y319	H254-Y263 AromaticContact CE1-CD1 3.97Å; H254-L270 HydrophobicContact CB-CB 4.27Å; H254-L270 HydrophobicContact CB-CD1 4.45Å; H254-K271 WeakPolarHBondContact NE2-CE 3.44Å; H254-K271 WeakPolarHBondContact NE2-CG 3.23Å; H254-G292 VanDerWaalsContact CD2-C 3.45Å; H254-G292 PolarHBondContact CD2-O 3.36Å; H254-G292 VanDerWaalsContact CD2-O 3.25Å; H254-G292 PolarHBondContact N-O 3.03Å; H254-G292 VanDerWaalsContact NE2-C 3.28Å; H254-S293 PolarHBondContact NE2-N 3.09Å; H254-S293 VanDerWaalsContact O-CA 3.3Å; H254-S293 WeakPolarHBondContact O-CA 3.08Å; H254-Y319 HydrophobicContact CB-CD1 4.11Å; H254-Y319 HydrophobicContact CB-CE1 4.12Å
255	P	97	Very high	96.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	20%	0.196	C	C	.	.	S	Bend	trans	-60.9	155.1	172.5	-26.8	36	0	0	0	113.1	P264 D307 K310 C318	P255-P264 HydrophobicContact CB-CG 4.47Å; P255-P264 WeakPolarHBondContact O-CD 3.38Å; P255-D307 WeakPolarHBondContact CB-OD1 3.4Å; P255-K310 HydrophobicContact CB-CB 4.19Å; P255-K310 HydrophobicContact CB-CG 4Å; P255-K310 HydrophobicContact CG-CB 3.8Å; P255-K310 HydrophobicContact CG-CG 3.89Å; P255-C318 WeakPolarHBondContact CD-O 3.27Å; P255-C318 HydrophobicContact CG-CB 4Å
256	Y	96.4	Very high	96.5	Very high	44 Å²	44	37 Å²	37	17%	0.173	21%	0.206	C	C	.	.	P	Polyproline II helix	cis	-99.8	150.3	-1.8	-65.2	-70.9	0	0	0	112.5	F199 H258 T262 P264 S293 D307 K310	F199-Y256 AromaticContact CE1-CD1 3.84Å; F199-Y256 HydrophobicContact CE1-CD1 3.84Å; F199-Y256 HydrophobicContact CE1-CE1 4.43Å; F199-Y256 HydrophobicContact CE1-CG 4.49Å; F199-Y256 AromaticContact CE2-CD1 3.99Å; F199-Y256 HydrophobicContact CE2-CD1 3.99Å; F199-Y256 AromaticContact CE2-CE1 3.74Å; F199-Y256 HydrophobicContact CE2-CE1 3.74Å; F199-Y256 AromaticContact CZ-CD1 3.23Å; F199-Y256 HydrophobicContact CZ-CD1 3.23Å; F199-Y256 AromaticContact CZ-CE1 3.48Å; F199-Y256 HydrophobicContact CZ-CE1 3.48Å; F199-Y256 VanDerWaalsContact CZ-CE1 3.48Å; F199-Y256 AromaticContact CZ-CG 3.95Å; F199-Y256 HydrophobicContact CZ-CG 3.95Å; Y256-H258 WeakPolarHBondContact CB-ND1 3.31Å; Y256-T262 PolarHBondContact N-O 3.24Å; Y256-P264 HydrophobicContact CE2-CB 4.05Å; Y256-S293 WeakPolarHBondContact O-CB 3.32Å; Y256-D307 WeakPolarHBondContact CA-OD1 2.98Å; Y256-D307 HydrophobicContact CD1-CB 4.12Å; Y256-K310 HydrophobicContact CE1-CB 4.41Å; Y256-K310 HydrophobicContact CE1-CG 4.18Å
257	G	95.9	Very high	96.4	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	21%	0.211	C	C	.	.			trans	-91.3	-23.1	174.3	0	0	0	0	0	114.5	R259 A295 P300 A301 D307	G257-R259 PolarHBondContact O-N 3.11Å; G257-A295 WeakPolarHBondContact O-CB 3.31Å; G257-P300 CarbonylContact O-C 3.53Å; G257-P300 VanDerWaalsContact O-CA 3.31Å; G257-P300 WeakPolarHBondContact O-CA 3.3Å; G257-A301 CarbonylContact C-O 3.19Å; G257-A301 PolarHBondContact O-N 3.07Å; G257-D307 WeakPolarHBondContact CA-OD2 3.49Å; G257-D307 VanDerWaalsContact N-CG 3.29Å; G257-D307 PolarHBondContact N-OD1 3.07Å; G257-D307 VanDerWaalsContact N-OD1 3.11Å; G257-D307 PolarHBondContact N-OD2 2.91Å
258	H	95.7	Very high	96.6	Very high	23 Å²	23	43.7 Å²	43.7	11%	0.106	24%	0.242	C	C	.	.	S	Bend	trans	-67.1	-29.1	-171.9	75.4	-72	0	0	0	115.6	F199 H200 Y256 T262 A301 D307	F199-H258 HydrophobicContact CD1-CB 4.42Å; F199-H258 HydrophobicContact CE1-CB 3.9Å; F199-H258 AromaticContact CE1-CG 3.75Å; F199-H258 AromaticContact CE1-ND1 3.37Å; F199-H258 WeakPolarHBondContact CE1-ND1 3.47Å; F199-H258 AromaticContact CZ-ND1 3.67Å; H200-H258 HydrophobicContact CB-CB 3.92Å; H200-H258 AromaticContact CD2-CD2 3.56Å; H200-H258 AromaticContact CD2-CG 3.67Å; H200-H258 AromaticContact CD2-ND1 3.99Å; H200-H258 AromaticContact CD2-NE2 3.87Å; H200-H258 AromaticContact CE1-CD2 3.63Å; H200-H258 AromaticContact CE1-NE2 3.64Å; H200-H258 AromaticContact CG-CD2 3.47Å; H200-H258 VanDerWaalsContact CG-CD2 3.47Å; H200-H258 AromaticContact CG-CG 3.76Å; H200-H258 AromaticContact ND1-CD2 3.53Å; H200-H258 AromaticContact NE2-CD2 3.68Å; H200-H258 AromaticContact NE2-CE1 3.9Å; H200-H258 AromaticContact NE2-NE2 3.54Å; Y256-H258 WeakPolarHBondContact CB-ND1 3.31Å; H258-T262 PolarHBondContact CE1-OG1 3Å; H258-A301 VanDerWaalsContact CA-O 3.24Å; H258-A301 WeakPolarHBondContact CA-O 3.48Å; H258-A301 PolarHBondContact N-O 3.28Å; H258-D307 PolarHBondContact N-OD2 3.37Å
259	R	95.4	Very high	96.7	Very high	169 Å²	169	45 Å²	45	64%	0.638	25%	0.252	S	S	*	.	S	Bend	trans	-154.4	137.6	-174.4	-174.7	179.1	-125.2	-173.2	2.2	112.7	G257 T262 A295	G257-R259 PolarHBondContact O-N 3.11Å; R259-T262 HydrophobicContact CB-CG2 3.79Å; R259-T262 HydrophobicContact CG-CG2 4Å; R259-T262 PolarHBondContact O-N 3.27Å; R259-T262 PolarHBondContact O-OG1 2.91Å; R259-A295 WeakPolarHBondContact O-CB 3.42Å
260	V	95.6	Very high	96.8	Very high	90 Å²	90	44.2 Å²	44.2	55%	0.545	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	138.4	175.9	176.8	0	0	0	0	110.4	T262 A295 D296 P300	V260-T262 VanDerWaalsContact C-N 3.27Å; V260-T262 PolarHBondContact O-N 2.85Å; V260-A295 HydrophobicContact CG2-CB 4.24Å; V260-D296 WeakPolarHBondContact CA-OD1 3.31Å; V260-D296 VanDerWaalsContact CG1-OD1 3.31Å; V260-D296 WeakPolarHBondContact CG1-OD1 3.04Å; V260-P300 HydrophobicContact CG2-CG 3.98Å
261	G	95.8	Very high	96.8	Very high	46 Å²	46	46 Å²	46	47%	0.474	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	16.2	177.9	0	0	0	0	0	115	D296	G261-D296 PolarHBondContact N-OD1 2.93Å
262	T	95.6	Very high	96.8	Very high	32 Å²	32	48.1 Å²	48.1	20%	0.196	27%	0.269	C	S	.	.			trans	-107.2	131.3	174.1	66.2	0	0	0	0	111.4	Y256 H258 R259 V260	Y256-T262 PolarHBondContact N-O 3.24Å; H258-T262 PolarHBondContact CE1-OG1 3Å; R259-T262 HydrophobicContact CB-CG2 3.79Å; R259-T262 HydrophobicContact CG-CG2 4Å; R259-T262 PolarHBondContact O-N 3.27Å; R259-T262 PolarHBondContact O-OG1 2.91Å; V260-T262 VanDerWaalsContact C-N 3.27Å; V260-T262 PolarHBondContact O-N 2.85Å
263	Y	96.6	Very high	96.8	Very high	95 Å²	95	48.8 Å²	48.8	37%	0.373	27%	0.273	S	S	.	.			trans	-142.3	147.2	-171.9	-52.3	-67.9	0	0	0	111.5	H254 V267 D296	H254-Y263 AromaticContact CE1-CD1 3.97Å; Y263-V267 HydrophobicContact CD1-CG2 3.91Å; Y263-V267 HydrophobicContact CG-CG1 4.46Å; Y263-V267 HydrophobicContact CG-CG2 4.14Å; Y263-D296 WeakPolarHBondContact CE1-OD2 3.14Å; Y263-D296 PolarHBondContact OH-OD2 2.67Å
264	P	96	Very high	96.8	Very high	7 Å²	7	48 Å²	48	5%	0.045	27%	0.269	C	S	.	.			trans	-68.6	157.9	168.1	31.9	-36.6	0	0	0	110.6	P255 Y256 D266 V267 L270 K310	P255-P264 HydrophobicContact CB-CG 4.47Å; P255-P264 WeakPolarHBondContact O-CD 3.38Å; Y256-P264 HydrophobicContact CE2-CB 4.05Å; P264-D266 WeakPolarHBondContact CB-OD1 3.48Å; P264-D266 PolarHBondContact O-N 2.63Å; P264-D266 VanDerWaalsContact O-N 3.11Å; P264-V267 HydrophobicContact CG-CB 4.36Å; P264-V267 WeakPolarHBondContact O-CB 3.16Å; P264-V267 PolarHBondContact O-N 2.82Å; P264-V267 VanDerWaalsContact O-N 3.07Å; P264-L270 HydrophobicContact CG-CD1 3.54Å; P264-K310 VanDerWaalsContact CB-CE 3.45Å; P264-K310 HydrophobicContact CB-CG 4.37Å
265	A	96.5	Very high	96.9	Very high	115 Å²	115	53.5 Å²	53.5	95%	0.95	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.2	-176.7	0	0	0	0	0	113.6
266	D	96.1	Very high	97	Very high	37 Å²	37	58.9 Å²	58.9	20%	0.198	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	21.8	-179.8	63.4	-17.6	0	0	0	113.5	P264 N268 D269 L270 K310	P264-D266 WeakPolarHBondContact CB-OD1 3.48Å; P264-D266 PolarHBondContact O-N 2.63Å; P264-D266 VanDerWaalsContact O-N 3.11Å; D266-N268 PolarHBondContact O-N 3.47Å; D266-N268 VanDerWaalsContact O-N 3.11Å; D266-D269 WeakPolarHBondContact O-CB 3.5Å; D266-D269 PolarHBondContact O-N 3.2Å; D266-L270 PolarHBondContact O-N 3.42Å; D266-L270 VanDerWaalsContact O-N 3.08Å; D266-K310 VanDerWaalsContact OD1-CE 3.24Å; D266-K310 WeakPolarHBondContact OD1-CE 3.46Å; D266-K310 IonicContact OD1-NZ 3.88Å; D266-K310 PolarHBondContact OD1-NZ 2.93Å; D266-K310 IonicContact OD2-NZ 2.76Å; D266-K310 PolarHBondContact OD2-NZ 3.44Å
267	V	97.1	Very high	97.1	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-55.4	-31.8	-177.9	66.5	0	0	0	0	114	Y263 P264 L270 K271	Y263-V267 HydrophobicContact CD1-CG2 3.91Å; Y263-V267 HydrophobicContact CG-CG1 4.46Å; Y263-V267 HydrophobicContact CG-CG2 4.14Å; P264-V267 HydrophobicContact CG-CB 4.36Å; P264-V267 WeakPolarHBondContact O-CB 3.16Å; P264-V267 PolarHBondContact O-N 2.82Å; P264-V267 VanDerWaalsContact O-N 3.07Å; V267-L270 PolarHBondContact O-N 3.18Å; V267-K271 HydrophobicContact CG2-CD 4.1Å; V267-K271 HydrophobicContact CG2-CG 4.22Å; V267-K271 WeakPolarHBondContact O-CB 3.3Å; V267-K271 WeakPolarHBondContact O-CG 3.48Å; V267-K271 PolarHBondContact O-N 3.04Å
268	N	97.9	Very high	97.2	Very high	124 Å²	124	57.4 Å²	57.4	66%	0.663	31%	0.312	S	S	*	.	H	α-helix	trans	-67.3	-40.9	178.1	-69.8	-26.7	0	0	0	111.9	D266 S272	D266-N268 PolarHBondContact O-N 3.47Å; D266-N268 VanDerWaalsContact O-N 3.11Å; N268-S272 WeakPolarHBondContact O-CB 3.42Å; N268-S272 PolarHBondContact O-N 3.47Å
269	D	96.8	Very high	97.4	Very high	74 Å²	74	61.1 Å²	61.1	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-45.9	174.6	-77.5	9.2	0	0	0	110	D266 K271 S272 V273 K316	D266-D269 WeakPolarHBondContact O-CB 3.5Å; D266-D269 PolarHBondContact O-N 3.2Å; D269-K271 PolarHBondContact O-N 3.27Å; D269-S272 PolarHBondContact O-N 3.44Å; D269-V273 PolarHBondContact O-N 3.04Å; D269-K316 WeakPolarHBondContact OD2-CE 3.21Å; D269-K316 IonicContact OD2-NZ 3.7Å; D269-K316 PolarHBondContact OD2-NZ 3.44Å
270	L	97.9	Very high	97.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.8	-48.9	177	-78.6	166.8	0	0	0	111.9	H254 P264 D266 V267 A274 K316 Y319	H254-L270 HydrophobicContact CB-CB 4.27Å; H254-L270 HydrophobicContact CB-CD1 4.45Å; P264-L270 HydrophobicContact CG-CD1 3.54Å; D266-L270 PolarHBondContact O-N 3.42Å; D266-L270 VanDerWaalsContact O-N 3.08Å; V267-L270 PolarHBondContact O-N 3.18Å; L270-A274 VanDerWaalsContact O-CB 3.27Å; L270-A274 WeakPolarHBondContact O-CB 3.39Å; L270-A274 PolarHBondContact O-N 3.05Å; L270-K316 VanDerWaalsContact CD2-O 3.25Å; L270-K316 WeakPolarHBondContact CD2-O 3.35Å; L270-Y319 WeakPolarHBondContact CA-OH 3.07Å; L270-Y319 HydrophobicContact CB-CE1 4.35Å; L270-Y319 HydrophobicContact CD2-CE1 3.78Å; L270-Y319 HydrophobicContact CD2-CE2 4.26Å; L270-Y319 PolarHBondContact O-OH 3.45Å
271	K	98.1	Very high	97.6	Very high	65 Å²	65	50.9 Å²	50.9	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-42.4	177.7	-77.5	179.9	176.7	178.9	0	111.6	H254 V267 D269 V273 A274 Q275	H254-K271 WeakPolarHBondContact NE2-CE 3.44Å; H254-K271 WeakPolarHBondContact NE2-CG 3.23Å; V267-K271 HydrophobicContact CG2-CD 4.1Å; V267-K271 HydrophobicContact CG2-CG 4.22Å; V267-K271 WeakPolarHBondContact O-CB 3.3Å; V267-K271 WeakPolarHBondContact O-CG 3.48Å; V267-K271 PolarHBondContact O-N 3.04Å; D269-K271 PolarHBondContact O-N 3.27Å; K271-V273 PolarHBondContact O-N 2.89Å; K271-A274 PolarHBondContact O-N 3.43Å; K271-Q275 WeakPolarHBondContact O-CB 3.2Å; K271-Q275 WeakPolarHBondContact O-CG 3.44Å; K271-Q275 PolarHBondContact O-N 2.66Å
272	S	98.5	Very high	97.7	Very high	46 Å²	46	53.2 Å²	53.2	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-45.5	179.6	-172.4	0	0	0	0	112	N268 D269 K276	N268-S272 WeakPolarHBondContact O-CB 3.42Å; N268-S272 PolarHBondContact O-N 3.47Å; D269-S272 PolarHBondContact O-N 3.44Å; S272-K276 WeakPolarHBondContact O-CG 3.42Å; S272-K276 PolarHBondContact O-N 2.96Å
273	V	98.8	Very high	97.9	Very high	13 Å²	13	58.4 Å²	58.4	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-43	177.7	172.5	0	0	0	0	111.3	D269 K271 Q275 K276 A277 Y317 V354 A357	D269-V273 PolarHBondContact O-N 3.04Å; K271-V273 PolarHBondContact O-N 2.89Å; V273-Q275 PolarHBondContact O-N 3.19Å; V273-K276 PolarHBondContact O-N 3.27Å; V273-A277 WeakPolarHBondContact O-CB 3.45Å; V273-A277 PolarHBondContact O-N 3.42Å; V273-Y317 HydrophobicContact CB-CD1 4.47Å; V273-Y317 HydrophobicContact CB-CE1 4.28Å; V273-Y317 HydrophobicContact CG1-CD1 4.38Å; V273-Y317 HydrophobicContact CG1-CE1 4.46Å; V273-Y317 HydrophobicContact CG2-CD1 4.35Å; V273-Y317 HydrophobicContact CG2-CE1 3.69Å; V273-V354 HydrophobicContact CG1-CB 4.45Å; V273-V354 HydrophobicContact CG1-CG2 4.06Å; V273-A357 HydrophobicContact CG1-CB 4.08Å; V273-A357 HydrophobicContact CG2-CB 3.79Å
274	A	98.7	Very high	97.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-42.9	176.1	0	0	0	0	0	112.3	W252 L270 K271 K276 A277 V278 V291 Y319	W252-A274 VanDerWaalsContact CD1-CB 3.4Å; W252-A274 HydrophobicContact CG-CB 4.1Å; L270-A274 VanDerWaalsContact O-CB 3.27Å; L270-A274 WeakPolarHBondContact O-CB 3.39Å; L270-A274 PolarHBondContact O-N 3.05Å; K271-A274 PolarHBondContact O-N 3.43Å; A274-K276 PolarHBondContact O-N 2.99Å; A274-A277 WeakPolarHBondContact O-CB 3.39Å; A274-A277 PolarHBondContact O-N 3.35Å; A274-V278 WeakPolarHBondContact O-CG2 3.48Å; A274-V278 PolarHBondContact O-N 3.11Å; A274-V291 HydrophobicContact CB-CG1 3.6Å; A274-V291 HydrophobicContact CB-CG2 4.13Å; A274-Y319 HydrophobicContact CB-CE1 3.84Å
275	Q	98.7	Very high	97.8	Very high	116 Å²	116	61.6 Å²	61.6	54%	0.542	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-42.5	176.7	-77.7	172.3	-12.7	0	0	112.3	K271 V273 V278 Q279 V291	K271-Q275 WeakPolarHBondContact O-CB 3.2Å; K271-Q275 WeakPolarHBondContact O-CG 3.44Å; K271-Q275 PolarHBondContact O-N 2.66Å; V273-Q275 PolarHBondContact O-N 3.19Å; Q275-V278 WeakPolarHBondContact O-CG2 3.19Å; Q275-Q279 WeakPolarHBondContact O-CB 3.31Å; Q275-Q279 PolarHBondContact O-N 2.65Å; Q275-Q279 VanDerWaalsContact O-N 3.09Å; Q275-V291 HydrophobicContact CG-CG2 4.47Å
276	K	98.8	Very high	97.9	Very high	113 Å²	113	57.9 Å²	57.9	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-42.8	174.1	-68.7	171.8	-174	173.5	0	111.1	S272 V273 A274 Q279 E280 V353	S272-K276 WeakPolarHBondContact O-CG 3.42Å; S272-K276 PolarHBondContact O-N 2.96Å; V273-K276 PolarHBondContact O-N 3.27Å; A274-K276 PolarHBondContact O-N 2.99Å; K276-Q279 PolarHBondContact O-N 3.45Å; K276-E280 WeakPolarHBondContact O-CG 3.27Å; K276-E280 PolarHBondContact O-N 3.41Å; K276-V353 HydrophobicContact CB-CG1 3.71Å
277	A	98.8	Very high	98	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-50.1	179.4	0	0	0	0	0	112	W252 V273 A274 Q279 E280 L281 G350 V353	W252-A277 HydrophobicContact CD2-CB 4.39Å; W252-A277 HydrophobicContact CE3-CB 4.24Å; W252-A277 HydrophobicContact CH2-CB 3.58Å; W252-A277 HydrophobicContact CZ2-CB 3.73Å; W252-A277 HydrophobicContact CZ3-CB 3.84Å; V273-A277 WeakPolarHBondContact O-CB 3.45Å; V273-A277 PolarHBondContact O-N 3.42Å; A274-A277 WeakPolarHBondContact O-CB 3.39Å; A274-A277 PolarHBondContact O-N 3.35Å; A277-Q279 VanDerWaalsContact C-N 3.27Å; A277-Q279 PolarHBondContact O-N 3.14Å; A277-E280 PolarHBondContact O-N 3.32Å; A277-L281 WeakPolarHBondContact O-CB 3.4Å; A277-L281 PolarHBondContact O-N 3.11Å; A277-G350 WeakPolarHBondContact CB-O 3.19Å; A277-V353 HydrophobicContact CB-CB 4.06Å; A277-V353 HydrophobicContact CB-CG1 4.28Å
278	V	98.7	Very high	98	Very high	21 Å²	21	64.1 Å²	64.1	13%	0.127	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-28.7	178.5	-58.4	0	0	0	0	112.5	W252 A274 Q275 Y282 V291	W252-V278 HydrophobicContact CB-CG1 3.65Å; W252-V278 HydrophobicContact CD2-CG1 4.08Å; W252-V278 HydrophobicContact CE3-CG1 3.84Å; W252-V278 HydrophobicContact CG-CG1 4.04Å; A274-V278 WeakPolarHBondContact O-CG2 3.48Å; A274-V278 PolarHBondContact O-N 3.11Å; Q275-V278 WeakPolarHBondContact O-CG2 3.19Å; V278-Y282 VanDerWaalsContact O-CB 3.28Å; V278-Y282 WeakPolarHBondContact O-CB 3.17Å; V278-Y282 PolarHBondContact O-N 2.89Å; V278-V291 HydrophobicContact CB-CG2 4.32Å; V278-V291 HydrophobicContact CG1-CG2 3.68Å; V278-V291 HydrophobicContact CG2-CG2 3.65Å
279	Q	98.8	Very high	98	Very high	101 Å²	101	59 Å²	59	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-69.5	-43.4	174.9	-165.5	-173.3	46	0	0	111.7	Q275 K276 A277 Y282 R283	Q275-Q279 WeakPolarHBondContact O-CB 3.31Å; Q275-Q279 PolarHBondContact O-N 2.65Å; Q275-Q279 VanDerWaalsContact O-N 3.09Å; K276-Q279 PolarHBondContact O-N 3.45Å; A277-Q279 VanDerWaalsContact C-N 3.27Å; A277-Q279 PolarHBondContact O-N 3.14Å; Q279-Y282 PolarHBondContact O-N 2.94Å; Q279-R283 VanDerWaalsContact CD-NH2 3.32Å; Q279-R283 WeakPolarHBondContact O-CG 3.23Å; Q279-R283 PolarHBondContact O-N 3.31Å; Q279-R283 VanDerWaalsContact O-N 3.16Å; Q279-R283 VanDerWaalsContact OE1-NH1 3.12Å
280	E	98.5	Very high	98.1	Very high	45 Å²	45	60.4 Å²	60.4	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-38.6	175.8	-74	-62.9	127	0	0	112.1	K276 A277 R283 R349 V353	K276-E280 WeakPolarHBondContact O-CG 3.27Å; K276-E280 PolarHBondContact O-N 3.41Å; A277-E280 PolarHBondContact O-N 3.32Å; E280-R283 PolarHBondContact O-N 3.04Å; E280-R283 IonicContact OE1-CZ 2.97Å; E280-R283 IonicContact OE1-NE 3.64Å; E280-R283 IonicContact OE1-NH1 3.64Å; E280-R283 PolarHBondContact OE1-NH1 2.8Å; E280-R349 HydrophobicContact CB-CG 3.96Å; E280-R349 IonicContact OE2-CZ 2.82Å; E280-R349 VanDerWaalsContact OE2-CZ 3.28Å; E280-R349 IonicContact OE2-NE 3.9Å; E280-R349 PolarHBondContact OE2-NE 2.91Å; E280-R349 IonicContact OE2-NH2 2.7Å; E280-R349 PolarHBondContact OE2-NH2 3.45Å; E280-V353 HydrophobicContact CB-CG2 3.95Å; E280-V353 HydrophobicContact CG-CG2 3.72Å
281	L	97.3	Very high	98.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-48.8	171.9	-174	160	0	0	0	110.8	A277 R283 M284 Y289 E346	A277-L281 WeakPolarHBondContact O-CB 3.4Å; A277-L281 PolarHBondContact O-N 3.11Å; L281-R283 VanDerWaalsContact C-N 3.25Å; L281-R283 PolarHBondContact O-N 3.47Å; L281-M284 WeakPolarHBondContact O-CB 3.45Å; L281-M284 PolarHBondContact O-N 3.34Å; L281-Y289 HydrophobicContact CD1-CD2 4.13Å; L281-Y289 HydrophobicContact CD1-CE1 4.48Å; L281-Y289 HydrophobicContact CD1-CE2 3.94Å; L281-Y289 HydrophobicContact CD2-CD2 3.67Å; L281-Y289 HydrophobicContact CD2-CE2 3.62Å; L281-Y289 HydrophobicContact CG-CE2 4.46Å; L281-E346 HydrophobicContact CD1-CB 4.41Å; L281-E346 HydrophobicContact CD1-CG 3.98Å; L281-E346 HydrophobicContact CD2-CB 3.93Å; L281-E346 VanDerWaalsContact CD2-CD 3.5Å; L281-E346 HydrophobicContact CD2-CG 3.72Å; L281-E346 HydrophobicContact CG-CB 3.65Å; L281-E346 HydrophobicContact CG-CG 3.66Å; L281-E346 WeakPolarHBondContact CG-O 3.28Å
282	Y	98.4	Very high	98.1	Very high	95 Å²	95	59.7 Å²	59.7	37%	0.373	28%	0.279	S	S	.	.	H	α-helix	trans	-56.3	-37.5	178.2	174.3	-94.3	0	0	0	112.7	V278 Q279 M284 G286 T287 R288	V278-Y282 VanDerWaalsContact O-CB 3.28Å; V278-Y282 WeakPolarHBondContact O-CB 3.17Å; V278-Y282 PolarHBondContact O-N 2.89Å; Q279-Y282 PolarHBondContact O-N 2.94Å; Y282-M284 PolarHBondContact O-N 2.95Å; Y282-M284 VanDerWaalsContact O-N 3.14Å; Y282-G286 VanDerWaalsContact CD2-C 3.45Å; Y282-G286 WeakPolarHBondContact CD2-O 3.18Å; Y282-G286 WeakPolarHBondContact CE2-O 3.18Å; Y282-G286 VanDerWaalsContact O-CA 3.25Å; Y282-G286 WeakPolarHBondContact O-CA 3.38Å; Y282-G286 PolarHBondContact O-N 3.02Å; Y282-T287 WeakPolarHBondContact CA-O 3.4Å; Y282-R288 HydrophobicContact CD2-CG 3.76Å; Y282-R288 HydrophobicContact CE2-CG 3.72Å; Y282-R288 PolarHBondContact OH-NH2 2.69Å; Y282-R288 VanDerWaalsContact OH-NH2 3.15Å
283	R	98.4	Very high	97.9	Very high	140 Å²	140	57.6 Å²	57.6	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-19.7	178.9	-74.2	174.6	173.9	110.9	7.3	113.7	Q279 E280 L281	Q279-R283 VanDerWaalsContact CD-NH2 3.32Å; Q279-R283 WeakPolarHBondContact O-CG 3.23Å; Q279-R283 PolarHBondContact O-N 3.31Å; Q279-R283 VanDerWaalsContact O-N 3.16Å; Q279-R283 VanDerWaalsContact OE1-NH1 3.12Å; E280-R283 PolarHBondContact O-N 3.04Å; E280-R283 IonicContact OE1-CZ 2.97Å; E280-R283 IonicContact OE1-NE 3.64Å; E280-R283 IonicContact OE1-NH1 3.64Å; E280-R283 PolarHBondContact OE1-NH1 2.8Å; L281-R283 VanDerWaalsContact C-N 3.25Å; L281-R283 PolarHBondContact O-N 3.47Å
284	M	96.1	Very high	97.5	Very high	74 Å²	74	57.4 Å²	57.4	37%	0.365	26%	0.264	S	S	.	.	H	α-helix	trans	-77.5	-50.3	-179.4	-65.2	-157.4	60.2	0	0	113	L281 Y282 R345 E346 R349	L281-M284 WeakPolarHBondContact O-CB 3.45Å; L281-M284 PolarHBondContact O-N 3.34Å; Y282-M284 PolarHBondContact O-N 2.95Å; Y282-M284 VanDerWaalsContact O-N 3.14Å; M284-R345 HydrophobicContact CE-CB 3.98Å; M284-E346 HydrophobicContact CB-CB 4.37Å; M284-E346 HydrophobicContact SD-CB 4.34Å; M284-R349 HydrophobicContact CG-CB 4.42Å; M284-R349 HydrophobicContact CG-CG 4.44Å; M284-R349 HydrophobicContact SD-CB 3.54Å; M284-R349 VanDerWaalsContact SD-CB 3.54Å; M284-R349 HydrophobicContact SD-CG 4.09Å
285	Y	96.1	Very high	97.2	Very high	96 Å²	96	57.7 Å²	57.7	38%	0.376	27%	0.267	S	S	.	.	H	α-helix	trans	-137.2	4	-170.2	-56.9	-58.8	0	0	0	114.3	T287 P342 R345 E346	Y285-T287 VanDerWaalsContact C-N 3.25Å; Y285-T287 PolarHBondContact O-N 2.89Å; Y285-P342 HydrophobicContact CD2-CB 4.13Å; Y285-P342 HydrophobicContact CE2-CB 3.96Å; Y285-P342 VanDerWaalsContact CE2-O 3.31Å; Y285-P342 WeakPolarHBondContact CE2-O 3.49Å; Y285-R345 HydrophobicContact CE2-CB 4.14Å; Y285-R345 WeakPolarHBondContact OH-CD 3.47Å; Y285-E346 HydrophobicContact CD2-CB 3.84Å; Y285-E346 HydrophobicContact CE2-CB 4.08Å
286	G	97.8	Very high	97	Very high	36 Å²	36	55.2 Å²	55.2	37%	0.371	26%	0.257	S	S	.	.			trans	77.2	7.6	-175.6	0	0	0	0	0	114.4	Y282 R288	Y282-G286 VanDerWaalsContact CD2-C 3.45Å; Y282-G286 WeakPolarHBondContact CD2-O 3.18Å; Y282-G286 WeakPolarHBondContact CE2-O 3.18Å; Y282-G286 VanDerWaalsContact O-CA 3.25Å; Y282-G286 WeakPolarHBondContact O-CA 3.38Å; Y282-G286 PolarHBondContact O-N 3.02Å; G286-R288 PolarHBondContact O-N 3.44Å
287	T	97.6	Very high	96.6	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.08	25%	0.246	C	C	.	.			trans	-70.1	127.1	-178.9	-37.4	0	0	0	0	110.9	Q250 Y282 Y285 Y289 R324 E346	Q250-T287 HydrophobicContact CG-CG2 4.3Å; Q250-T287 VanDerWaalsContact OE1-CG2 3.29Å; Y282-T287 WeakPolarHBondContact CA-O 3.4Å; Y285-T287 VanDerWaalsContact C-N 3.25Å; Y285-T287 PolarHBondContact O-N 2.89Å; T287-Y289 HydrophobicContact CG2-CD2 4.16Å; T287-Y289 HydrophobicContact CG2-CE2 3.67Å; T287-R324 HydrophobicContact CG2-CG 4.18Å; T287-R324 PolarHBondContact OG1-NH2 3.46Å; T287-E346 WeakPolarHBondContact CB-OE2 3.33Å; T287-E346 PolarHBondContact OG1-OE2 3.19Å
288	R	97.9	Very high	96.1	Very high	174 Å²	174	55.2 Å²	55.2	66%	0.657	26%	0.264	S	S	*	.			trans	-101.7	118.5	-174.7	-67.9	178.3	177.7	-94	-3	110.2	Q250 Y282 G286	Q250-R288 WeakPolarHBondContact CB-O 3.3Å; Q250-R288 PolarHBondContact NE2-O 2.56Å; Y282-R288 HydrophobicContact CD2-CG 3.76Å; Y282-R288 HydrophobicContact CE2-CG 3.72Å; Y282-R288 PolarHBondContact OH-NH2 2.69Å; Y282-R288 VanDerWaalsContact OH-NH2 3.15Å; G286-R288 PolarHBondContact O-N 3.44Å
289	Y	98.4	Very high	95.8	Very high	18 Å²	18	59.4 Å²	59.4	7%	0.071	28%	0.278	C	S	.	.			trans	-104.6	138.9	171.7	-78.4	-122	0	0	0	110.1	Q250 L281 T287 I321 E322 L323 R324 E346	Q250-Y289 HydrophobicContact CB-CD1 4.06Å; Q250-Y289 HydrophobicContact CB-CD2 3.8Å; Q250-Y289 HydrophobicContact CB-CE1 4.13Å; Q250-Y289 HydrophobicContact CB-CE2 3.85Å; Q250-Y289 HydrophobicContact CB-CG 3.89Å; Q250-Y289 HydrophobicContact CG-CD2 4.25Å; Q250-Y289 HydrophobicContact CG-CE2 3.84Å; Q250-Y289 CarbonylContact O-C 3.53Å; Q250-Y289 WeakPolarHBondContact O-CA 3.37Å; L281-Y289 HydrophobicContact CD1-CD2 4.13Å; L281-Y289 HydrophobicContact CD1-CE1 4.48Å; L281-Y289 HydrophobicContact CD1-CE2 3.94Å; L281-Y289 HydrophobicContact CD2-CD2 3.67Å; L281-Y289 HydrophobicContact CD2-CE2 3.62Å; L281-Y289 HydrophobicContact CG-CE2 4.46Å; T287-Y289 HydrophobicContact CG2-CD2 4.16Å; T287-Y289 HydrophobicContact CG2-CE2 3.67Å; Y289-I321 HydrophobicContact CD1-CG2 4.43Å; Y289-I321 HydrophobicContact CE1-CG2 4Å; Y289-E322 WeakPolarHBondContact CE1-O 3.41Å; Y289-L323 WeakPolarHBondContact OH-CA 3.35Å; Y289-R324 PolarHBondContact OH-N 3.47Å; Y289-E346 PolarHBondContact OH-OE1 2.85Å
290	K	97.7	Very high	95.5	Very high	102 Å²	102	57.5 Å²	57.5	44%	0.443	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.5	170.6	-58.4	175.2	-169.5	160.5	0	109.3	Q250 L251 W252 T297 E327	Q250-K290 PolarHBondContact O-N 3.19Å; L251-K290 WeakPolarHBondContact CA-O 3.47Å; L251-K290 HydrophobicContact CD2-CB 3.76Å; L251-K290 HydrophobicContact CD2-CD 4.08Å; L251-K290 HydrophobicContact CD2-CG 4.26Å; W252-K290 PolarHBondContact N-O 3Å; K290-T297 HydrophobicContact CB-CG2 4.29Å; K290-E327 IonicContact NZ-OE1 3.09Å; K290-E327 PolarHBondContact NZ-OE1 2.76Å; K290-E327 IonicContact NZ-OE2 3.65Å; K290-E327 PolarHBondContact NZ-OE2 3.14Å
291	V	98.3	Very high	95.3	Very high	43 Å²	43	56.2 Å²	56.2	26%	0.261	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.2	175.4	177.3	0	0	0	0	108.9	W252 A274 Q275 V278	W252-V291 HydrophobicContact CB-CG2 4.17Å; W252-V291 WeakPolarHBondContact O-CA 3.28Å; A274-V291 HydrophobicContact CB-CG1 3.6Å; A274-V291 HydrophobicContact CB-CG2 4.13Å; Q275-V291 HydrophobicContact CG-CG2 4.47Å; V278-V291 HydrophobicContact CB-CG2 4.32Å; V278-V291 HydrophobicContact CG1-CG2 3.68Å; V278-V291 HydrophobicContact CG2-CG2 3.65Å
292	G	97.2	Very high	95.2	Very high	8 Å²	8	56.2 Å²	56.2	8%	0.082	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-173.4	173.1	0	0	0	0	0	112.5	W252 I253 H254 T297	W252-G292 PolarHBondContact O-N 2.68Å; I253-G292 WeakPolarHBondContact CA-O 3.35Å; H254-G292 VanDerWaalsContact CD2-C 3.45Å; H254-G292 PolarHBondContact CD2-O 3.36Å; H254-G292 VanDerWaalsContact CD2-O 3.25Å; H254-G292 PolarHBondContact N-O 3.03Å; H254-G292 VanDerWaalsContact NE2-C 3.28Å; G292-T297 VanDerWaalsContact CA-OG1 3.24Å; G292-T297 WeakPolarHBondContact CA-OG1 3.43Å
293	S	95.7	Very high	95.2	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	158.7	172.9	78.1	0	0	0	0	110.5	H254 Y256 A295 D296 T297	H254-S293 PolarHBondContact NE2-N 3.09Å; H254-S293 VanDerWaalsContact O-CA 3.3Å; H254-S293 WeakPolarHBondContact O-CA 3.08Å; Y256-S293 WeakPolarHBondContact O-CB 3.32Å; S293-A295 VanDerWaalsContact C-N 3.27Å; S293-A295 PolarHBondContact O-N 2.57Å; S293-D296 PolarHBondContact O-N 3.09Å; S293-D296 VanDerWaalsContact OG-CB 3.24Å; S293-D296 WeakPolarHBondContact OG-CB 3.36Å; S293-D296 PolarHBondContact OG-N 2.88Å; S293-D296 PolarHBondContact OG-OD2 3.33Å; S293-T297 PolarHBondContact N-OG1 2.89Å; S293-T297 VanDerWaalsContact O-CB 3.25Å; S293-T297 WeakPolarHBondContact O-CB 3.44Å; S293-T297 PolarHBondContact O-N 3Å; S293-T297 PolarHBondContact O-OG1 3.25Å
294	G	89.5	Confident	95.1	Very high	9 Å²	9	45.4 Å²	45.4	9%	0.093	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-43.4	178	0	0	0	0	0	111.1	I253 L298 Y299	I253-G294 VanDerWaalsContact CG2-CA 3.49Å; I253-G294 VanDerWaalsContact CG2-N 3.3Å; G294-L298 WeakPolarHBondContact O-CB 3.25Å; G294-L298 PolarHBondContact O-N 2.94Å; G294-L298 VanDerWaalsContact O-N 3.08Å; G294-Y299 PolarHBondContact O-N 3.38Å
295	A	93	Very high	95.1	Very high	6 Å²	6	42 Å²	42	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-40	-179.2	0	0	0	0	0	113.3	G257 R259 V260 S293 P300	G257-A295 WeakPolarHBondContact O-CB 3.31Å; R259-A295 WeakPolarHBondContact O-CB 3.42Å; V260-A295 HydrophobicContact CG2-CB 4.24Å; S293-A295 VanDerWaalsContact C-N 3.27Å; S293-A295 PolarHBondContact O-N 2.57Å; A295-P300 HydrophobicContact CB-CG 4.49Å
296	D	94.2	Very high	95.2	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	20%	0.2	S	C	.	.	H	α-helix	trans	-82.2	-24.7	-175.7	-55.2	-35.8	0	0	0	112.9	V260 G261 Y263 S293	V260-D296 WeakPolarHBondContact CA-OD1 3.31Å; V260-D296 VanDerWaalsContact CG1-OD1 3.31Å; V260-D296 WeakPolarHBondContact CG1-OD1 3.04Å; G261-D296 PolarHBondContact N-OD1 2.93Å; Y263-D296 WeakPolarHBondContact CE1-OD2 3.14Å; Y263-D296 PolarHBondContact OH-OD2 2.67Å; S293-D296 PolarHBondContact O-N 3.09Å; S293-D296 VanDerWaalsContact OG-CB 3.24Å; S293-D296 WeakPolarHBondContact OG-CB 3.36Å; S293-D296 PolarHBondContact OG-N 2.88Å; S293-D296 PolarHBondContact OG-OD2 3.33Å
297	T	91.1	Very high	95.2	Very high	41 Å²	41	36.6 Å²	36.6	25%	0.252	19%	0.186	S	C	.	.	H	α-helix	trans	-102	-27.7	-172.3	-38.4	0	0	0	0	112.8	L251 K290 G292 S293	L251-T297 HydrophobicContact CD1-CG2 4.43Å; L251-T297 HydrophobicContact CD2-CG2 3.87Å; K290-T297 HydrophobicContact CB-CG2 4.29Å; G292-T297 VanDerWaalsContact CA-OG1 3.24Å; G292-T297 WeakPolarHBondContact CA-OG1 3.43Å; S293-T297 PolarHBondContact N-OG1 2.89Å; S293-T297 VanDerWaalsContact O-CB 3.25Å; S293-T297 WeakPolarHBondContact O-CB 3.44Å; S293-T297 PolarHBondContact O-N 3Å; S293-T297 PolarHBondContact O-OG1 3.25Å
298	L	88.4	Confident	95.2	Very high	71 Å²	71	36.4 Å²	36.4	37%	0.372	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-82	-174.4	-166.7	78	0	0	0	110.5	L251 G294	L251-L298 HydrophobicContact CD1-CB 4.34Å; L251-L298 HydrophobicContact CD1-CD1 3.78Å; G294-L298 WeakPolarHBondContact O-CB 3.25Å; G294-L298 PolarHBondContact O-N 2.94Å; G294-L298 VanDerWaalsContact O-N 3.08Å
299	Y	91	Very high	95.2	Very high	110 Å²	110	28.1 Å²	28.1	43%	0.431	15%	0.153	S	C	.	.			trans	-166.5	157.8	172.6	55.9	-95	0	0	0	109.7	R195 G294 A301	R195-Y299 PolarHBondContact NH2-OH 2.93Å; G294-Y299 PolarHBondContact O-N 3.38Å; Y299-A301 HydrophobicContact CD2-CB 4.24Å; Y299-A301 HydrophobicContact CE2-CB 3.9Å; Y299-A301 PolarHBondContact O-N 3.38Å
300	P	93.7	Very high	95.2	Very high	61 Å²	61	27.6 Å²	27.6	40%	0.396	15%	0.15	S	C	.	.			trans	-59.9	121.9	172.9	-25.4	36.3	0	0	0	112.2	G257 V260 A295	G257-P300 CarbonylContact O-C 3.53Å; G257-P300 VanDerWaalsContact O-CA 3.31Å; G257-P300 WeakPolarHBondContact O-CA 3.3Å; V260-P300 HydrophobicContact CG2-CG 3.98Å; A295-P300 HydrophobicContact CB-CG 4.49Å
301	A	93.5	Very high	95.1	Very high	17 Å²	17	25.1 Å²	25.1	14%	0.14	15%	0.146	C	C	.	.			trans	-134.6	121.9	179.6	0	0	0	0	0	110.3	G257 H258 Y299	G257-A301 CarbonylContact C-O 3.19Å; G257-A301 PolarHBondContact O-N 3.07Å; H258-A301 VanDerWaalsContact CA-O 3.24Å; H258-A301 WeakPolarHBondContact CA-O 3.48Å; H258-A301 PolarHBondContact N-O 3.28Å; Y299-A301 HydrophobicContact CD2-CB 4.24Å; Y299-A301 HydrophobicContact CE2-CB 3.9Å; Y299-A301 PolarHBondContact O-N 3.38Å
302	S	95.7	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.			trans	-99.6	163.3	178.9	68.3	0	0	0	0	113.1	R195 H200 E203 G204 S205 G304	R195-S302 WeakPolarHBondContact CD-O 3.39Å; H200-S302 WeakPolarHBondContact O-CB 3.12Å; H200-S302 PolarHBondContact O-OG 3.22Å; E203-S302 PolarHBondContact N-OG 2.84Å; G204-S302 VanDerWaalsContact C-OG 3.25Å; G204-S302 WeakPolarHBondContact CA-OG 3.42Å; G204-S302 PolarHBondContact N-OG 2.84Å; G204-S302 PolarHBondContact O-N 3Å; S205-S302 PolarHBondContact N-OG 3.04Å; S205-S302 PolarHBondContact OG-OG 3.34Å; S302-G304 PolarHBondContact O-N 2.98Å
303	G	97	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	71.9	18.6	179	0	0	0	0	0	113.8	N194 R195 N196 F197 F199	N194-G303 CarbonylContact C-O 3.56Å; N194-G303 CarbonylContact O-C 3.59Å; R195-G303 CarbonylContact C-O 3.52Å; R195-G303 VanDerWaalsContact CA-O 3.3Å; R195-G303 WeakPolarHBondContact CA-O 3.23Å; R195-G303 PolarHBondContact N-O 2.88Å; N196-G303 PolarHBondContact N-O 3.32Å; F197-G303 WeakPolarHBondContact CB-O 3.26Å; F197-G303 PolarHBondContact N-O 2.97Å; F197-G303 VanDerWaalsContact O-CA 3.29Å; F197-G303 WeakPolarHBondContact O-CA 3.21Å; F199-G303 WeakPolarHBondContact O-CA 3.17Å; F199-G303 PolarHBondContact O-N 3.44Å
304	G	96.2	Very high	94.7	Very high	9 Å²	9	32.6 Å²	32.6	9%	0.093	19%	0.186	C	C	.	.			trans	-72	142.4	178.6	0	0	0	0	0	112.9	N194 S302 W308	N194-G304 WeakPolarHBondContact O-CA 3.42Å; N194-G304 WeakPolarHBondContact OD1-CA 3.11Å; S302-G304 PolarHBondContact O-N 2.98Å; G304-W308 WeakPolarHBondContact O-CB 3.48Å; G304-W308 PolarHBondContact O-N 3.32Å
305	M	97.8	Very high	95	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-52.7	-179.4	-178.1	164.5	59.5	0	0	112	S112 V115 L158 N194 F197 V228 F242 D244 D307 W308 V309	S112-M305 WeakPolarHBondContact OG-CE 3.25Å; V115-M305 HydrophobicContact CG2-CE 3.66Å; L158-M305 HydrophobicContact CD1-CE 3.94Å; L158-M305 HydrophobicContact CD1-SD 4.07Å; N194-M305 PolarHBondContact OD1-N 3.36Å; F197-M305 HydrophobicContact CD1-CB 4.3Å; F197-M305 HydrophobicContact CD1-CG 4.21Å; F197-M305 HydrophobicContact CD2-CB 3.82Å; F197-M305 HydrophobicContact CD2-CG 4.44Å; F197-M305 HydrophobicContact CE1-CB 4.06Å; F197-M305 HydrophobicContact CE1-CG 3.62Å; F197-M305 HydrophobicContact CE1-SD 4.07Å; F197-M305 HydrophobicContact CE2-CB 3.54Å; F197-M305 HydrophobicContact CE2-CG 3.88Å; F197-M305 HydrophobicContact CE2-SD 4.08Å; F197-M305 HydrophobicContact CG-CB 4.22Å; F197-M305 HydrophobicContact CZ-CB 3.68Å; F197-M305 HydrophobicContact CZ-CG 3.44Å; F197-M305 VanDerWaalsContact CZ-CG 3.44Å; F197-M305 HydrophobicContact CZ-SD 3.46Å; F197-M305 WeakPolarHBondContact CZ-SD 3.42Å; V228-M305 HydrophobicContact CB-SD 4.21Å; V228-M305 HydrophobicContact CG1-CG 4.4Å; V228-M305 HydrophobicContact CG1-SD 3.7Å; V228-M305 HydrophobicContact CG2-SD 4.03Å; F242-M305 HydrophobicContact CE1-CE 4.29Å; F242-M305 HydrophobicContact CE1-CG 4.15Å; F242-M305 HydrophobicContact CZ-CE 3.99Å; F242-M305 HydrophobicContact CZ-CG 3.78Å; F242-M305 HydrophobicContact CZ-SD 3.9Å; D244-M305 HydrophobicContact CB-CE 4.05Å; D244-M305 WeakPolarHBondContact OD1-CE 3.23Å; D244-M305 WeakPolarHBondContact OD2-CE 3.29Å; M305-D307 VanDerWaalsContact C-N 3.32Å; M305-D307 PolarHBondContact O-N 3.43Å; M305-W308 PolarHBondContact O-N 3.4Å; M305-V309 HydrophobicContact CG-CG2 4.35Å; M305-V309 WeakPolarHBondContact O-CG2 3.44Å; M305-V309 PolarHBondContact O-N 3.36Å
306	A	97.3	Very high	95.1	Very high	7 Å²	7	34.7 Å²	34.7	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-41.2	-177.4	0	0	0	0	0	112.3	V309 K310 C318 L320	A306-V309 PolarHBondContact O-N 2.66Å; A306-K310 WeakPolarHBondContact O-CB 3.21Å; A306-K310 PolarHBondContact O-N 3.01Å; A306-C318 PolarHBondContact O-SG 2.87Å; A306-L320 HydrophobicContact CB-CB 4.46Å
307	D	97.5	Very high	95.3	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-46.3	175.6	-83.4	7.4	0	0	0	112	F199 P255 Y256 G257 H258 M305 K310 S311	F199-D307 HydrophobicContact CD1-CB 3.38Å; F199-D307 HydrophobicContact CD2-CB 4.49Å; F199-D307 HydrophobicContact CE1-CB 3.47Å; F199-D307 VanDerWaalsContact CE1-CB 3.47Å; F199-D307 VanDerWaalsContact CE1-OD2 3.24Å; F199-D307 WeakPolarHBondContact CE1-OD2 3.3Å; F199-D307 HydrophobicContact CG-CB 3.92Å; F199-D307 HydrophobicContact CZ-CB 4.11Å; P255-D307 WeakPolarHBondContact CB-OD1 3.4Å; Y256-D307 WeakPolarHBondContact CA-OD1 2.98Å; Y256-D307 HydrophobicContact CD1-CB 4.12Å; G257-D307 WeakPolarHBondContact CA-OD2 3.49Å; G257-D307 VanDerWaalsContact N-CG 3.29Å; G257-D307 PolarHBondContact N-OD1 3.07Å; G257-D307 VanDerWaalsContact N-OD1 3.11Å; G257-D307 PolarHBondContact N-OD2 2.91Å; H258-D307 PolarHBondContact N-OD2 3.37Å; M305-D307 VanDerWaalsContact C-N 3.32Å; M305-D307 PolarHBondContact O-N 3.43Å; D307-K310 PolarHBondContact O-N 2.95Å; D307-S311 WeakPolarHBondContact O-CB 3.4Å; D307-S311 PolarHBondContact O-N 2.95Å
308	W	98	Very high	95.7	Very high	10 Å²	10	30.2 Å²	30.2	4%	0.038	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-49.6	176.3	176.1	75.2	0	0	0	111.1	F197 F199 F220 R229 V232 L233 G304 M305 K310 S311 V312	F197-W308 HydrophobicContact CB-CB 3.71Å; F197-W308 HydrophobicContact CB-CG 4Å; F197-W308 HydrophobicContact CD1-CB 4.13Å; F197-W308 AromaticContact CD1-CD2 3.85Å; F197-W308 HydrophobicContact CD1-CD2 3.85Å; F197-W308 AromaticContact CD1-CE3 3.58Å; F197-W308 HydrophobicContact CD1-CE3 3.58Å; F197-W308 HydrophobicContact CD1-CG 4.07Å; F197-W308 HydrophobicContact CD1-CZ3 4.36Å; F197-W308 HydrophobicContact CE1-CE3 4Å; F197-W308 HydrophobicContact CE1-CZ3 4.43Å; F197-W308 HydrophobicContact CG-CB 4.28Å; F199-W308 HydrophobicContact CB-CB 3.85Å; F220-W308 HydrophobicContact CE1-CD2 4.43Å; F220-W308 HydrophobicContact CE1-CZ2 4.46Å; F220-W308 AromaticContact CZ-CD2 3.98Å; F220-W308 HydrophobicContact CZ-CD2 3.98Å; F220-W308 AromaticContact CZ-CE2 3.5Å; F220-W308 HydrophobicContact CZ-CG 4.34Å; F220-W308 AromaticContact CZ-CZ2 3.8Å; F220-W308 HydrophobicContact CZ-CZ2 3.8Å; F220-W308 AromaticContact CZ-NE1 3.56Å; R229-W308 VanDerWaalsContact CA-CH2 3.47Å; R229-W308 HydrophobicContact CB-CH2 3.85Å; R229-W308 HydrophobicContact CB-CZ2 4.3Å; R229-W308 HydrophobicContact CB-CZ3 4.36Å; R229-W308 HydrophobicContact CG-CH2 3.6Å; R229-W308 HydrophobicContact CG-CZ2 3.65Å; V232-W308 HydrophobicContact CB-CH2 4.09Å; V232-W308 HydrophobicContact CB-CZ3 3.87Å; V232-W308 HydrophobicContact CG1-CH2 4.06Å; V232-W308 HydrophobicContact CG1-CZ3 3.86Å; V232-W308 HydrophobicContact CG2-CZ3 4.22Å; L233-W308 HydrophobicContact CD2-CH2 4.45Å; L233-W308 HydrophobicContact CD2-CZ2 4.35Å; L233-W308 HydrophobicContact CG-CH2 4.23Å; L233-W308 HydrophobicContact CG-CZ2 4.4Å; G304-W308 WeakPolarHBondContact O-CB 3.48Å; G304-W308 PolarHBondContact O-N 3.32Å; M305-W308 PolarHBondContact O-N 3.4Å; W308-K310 PolarHBondContact O-N 3.33Å; W308-S311 PolarHBondContact O-N 3.41Å; W308-S311 VanDerWaalsContact O-N 3.08Å; W308-S311 PolarHBondContact O-OG 3.07Å; W308-V312 HydrophobicContact CD2-CG2 4.03Å; W308-V312 HydrophobicContact CE3-CG2 4.3Å; W308-V312 HydrophobicContact CH2-CG2 3.82Å; W308-V312 HydrophobicContact CZ2-CB 4.45Å; W308-V312 HydrophobicContact CZ2-CG1 4.3Å; W308-V312 HydrophobicContact CZ2-CG2 3.54Å; W308-V312 HydrophobicContact CZ3-CG2 4.21Å; W308-V312 WeakPolarHBondContact O-CG2 3.25Å; W308-V312 PolarHBondContact O-N 3.37Å
309	V	98.2	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-46	178.4	176.2	0	0	0	0	111.2	V232 L239 F242 M305 A306 S311 V312 A313 V315	V232-V309 HydrophobicContact CG1-CG1 4.14Å; V232-V309 HydrophobicContact CG1-CG2 4.27Å; V232-V309 HydrophobicContact CG2-CG2 3.97Å; L239-V309 HydrophobicContact CD2-CG1 3.79Å; F242-V309 HydrophobicContact CB-CG1 4.09Å; F242-V309 HydrophobicContact CD1-CB 4.46Å; F242-V309 HydrophobicContact CD1-CG1 4.4Å; F242-V309 HydrophobicContact CD2-CB 4.32Å; F242-V309 HydrophobicContact CD2-CG1 3.71Å; F242-V309 HydrophobicContact CD2-CG2 4.06Å; F242-V309 HydrophobicContact CE1-CG2 4.22Å; F242-V309 HydrophobicContact CE2-CB 4.45Å; F242-V309 HydrophobicContact CE2-CG1 4.23Å; F242-V309 HydrophobicContact CE2-CG2 3.72Å; F242-V309 HydrophobicContact CG-CB 4.33Å; F242-V309 HydrophobicContact CG-CG1 3.81Å; F242-V309 HydrophobicContact CG-CG2 4.45Å; F242-V309 HydrophobicContact CZ-CG2 3.83Å; M305-V309 HydrophobicContact CG-CG2 4.35Å; M305-V309 WeakPolarHBondContact O-CG2 3.44Å; M305-V309 PolarHBondContact O-N 3.36Å; A306-V309 PolarHBondContact O-N 2.66Å; V309-S311 VanDerWaalsContact C-N 3.26Å; V309-S311 PolarHBondContact O-N 3.1Å; V309-V312 PolarHBondContact O-N 3.36Å; V309-A313 HydrophobicContact CG1-CB 4.3Å; V309-A313 WeakPolarHBondContact O-CB 3.35Å; V309-A313 PolarHBondContact O-N 2.75Å; V309-V315 HydrophobicContact CG1-CG1 3.8Å
310	K	97.6	Very high	96.5	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-55.3	-43.9	175	-178.2	61.4	173.5	-177.8	0	111.5	P255 Y256 P264 D266 A306 D307 W308 N314 V315 K316 C318	P255-K310 HydrophobicContact CB-CB 4.19Å; P255-K310 HydrophobicContact CB-CG 4Å; P255-K310 HydrophobicContact CG-CB 3.8Å; P255-K310 HydrophobicContact CG-CG 3.89Å; Y256-K310 HydrophobicContact CE1-CB 4.41Å; Y256-K310 HydrophobicContact CE1-CG 4.18Å; P264-K310 VanDerWaalsContact CB-CE 3.45Å; P264-K310 HydrophobicContact CB-CG 4.37Å; D266-K310 VanDerWaalsContact OD1-CE 3.24Å; D266-K310 WeakPolarHBondContact OD1-CE 3.46Å; D266-K310 IonicContact OD1-NZ 3.88Å; D266-K310 PolarHBondContact OD1-NZ 2.93Å; D266-K310 IonicContact OD2-NZ 2.76Å; D266-K310 PolarHBondContact OD2-NZ 3.44Å; A306-K310 WeakPolarHBondContact O-CB 3.21Å; A306-K310 PolarHBondContact O-N 3.01Å; D307-K310 PolarHBondContact O-N 2.95Å; W308-K310 PolarHBondContact O-N 3.33Å; K310-N314 PolarHBondContact O-N 2.93Å; K310-V315 HydrophobicContact CD-CG1 4.45Å; K310-V315 WeakPolarHBondContact CD-O 3.12Å; K310-V315 PolarHBondContact NZ-O 3.25Å; K310-K316 PolarHBondContact NZ-O 3.4Å; K310-C318 HydrophobicContact CB-CB 4.18Å; K310-C318 HydrophobicContact CD-CB 4.05Å
311	S	96	Very high	96.8	Very high	51 Å²	51	19.7 Å²	19.7	36%	0.357	11%	0.114	S	C	.	.	H	α-helix	trans	-70.4	-41.2	-176.8	75.9	0	0	0	0	113.9	D307 W308 V309	D307-S311 WeakPolarHBondContact O-CB 3.4Å; D307-S311 PolarHBondContact O-N 2.95Å; W308-S311 PolarHBondContact O-N 3.41Å; W308-S311 VanDerWaalsContact O-N 3.08Å; W308-S311 PolarHBondContact O-OG 3.07Å; V309-S311 VanDerWaalsContact C-N 3.26Å; V309-S311 PolarHBondContact O-N 3.1Å
312	V	96.5	Very high	97	Very high	59 Å²	59	19.8 Å²	19.8	36%	0.358	11%	0.111	S	C	.	.	H	α-helix	trans	-97.1	-29.8	-171.6	-56.1	0	0	0	0	114.3	V232 L233 W308 V309	V232-V312 HydrophobicContact CG1-CG2 4.43Å; L233-V312 HydrophobicContact CD2-CG2 4.34Å; W308-V312 HydrophobicContact CD2-CG2 4.03Å; W308-V312 HydrophobicContact CE3-CG2 4.3Å; W308-V312 HydrophobicContact CH2-CG2 3.82Å; W308-V312 HydrophobicContact CZ2-CB 4.45Å; W308-V312 HydrophobicContact CZ2-CG1 4.3Å; W308-V312 HydrophobicContact CZ2-CG2 3.54Å; W308-V312 HydrophobicContact CZ3-CG2 4.21Å; W308-V312 WeakPolarHBondContact O-CG2 3.25Å; W308-V312 PolarHBondContact O-N 3.37Å; V309-V312 PolarHBondContact O-N 3.36Å
313	A	95.3	Very high	97.1	Very high	13 Å²	13	19.8 Å²	19.8	11%	0.107	11%	0.111	C	C	.	.	H	α-helix	trans	-96.9	-8.3	-178.6	0	0	0	0	0	112.5	V232 R236 L239 V309 V315	V232-A313 HydrophobicContact CG1-CB 3.88Å; R236-A313 HydrophobicContact CB-CB 4.21Å; L239-A313 HydrophobicContact CD2-CB 4.08Å; V309-A313 HydrophobicContact CG1-CB 4.3Å; V309-A313 WeakPolarHBondContact O-CB 3.35Å; V309-A313 PolarHBondContact O-N 2.75Å; A313-V315 PolarHBondContact O-N 2.7Å; A313-V315 VanDerWaalsContact O-N 3.11Å
314	N	90.7	Very high	97.1	Very high	136 Å²	136	20.7 Å²	20.7	73%	0.727	12%	0.115	S	C	*	.			trans	48.9	35.8	-172.5	-166.7	37.3	0	0	0	112	K310 K316	K310-N314 PolarHBondContact O-N 2.93Å; N314-K316 PolarHBondContact O-N 2.85Å
315	V	96.2	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.			trans	-65.1	129.4	180	65.1	0	0	0	0	108.4	L239 K240 F242 V309 K310 A313 C318	L239-V315 HydrophobicContact CD2-CB 4.37Å; L239-V315 HydrophobicContact CD2-CG2 4.46Å; L239-V315 HydrophobicContact CG-CB 4.24Å; L239-V315 HydrophobicContact CG-CG2 3.9Å; K240-V315 WeakPolarHBondContact O-CG2 3.45Å; F242-V315 HydrophobicContact CB-CG1 4.3Å; F242-V315 HydrophobicContact CB-CG2 4.36Å; V309-V315 HydrophobicContact CG1-CG1 3.8Å; K310-V315 HydrophobicContact CD-CG1 4.45Å; K310-V315 WeakPolarHBondContact CD-O 3.12Å; K310-V315 PolarHBondContact NZ-O 3.25Å; A313-V315 PolarHBondContact O-N 2.7Å; A313-V315 VanDerWaalsContact O-N 3.11Å; V315-C318 HydrophobicContact CG1-CB 3.77Å
316	K	96	Very high	96.9	Very high	60 Å²	60	22.5 Å²	22.5	26%	0.261	13%	0.125	S	C	.	.	S	Bend	trans	-66.9	-58.1	-176.9	-174	169.5	-178.2	177.9	0	110.7	D269 L270 K310 N314 C318 D361	D269-K316 WeakPolarHBondContact OD2-CE 3.21Å; D269-K316 IonicContact OD2-NZ 3.7Å; D269-K316 PolarHBondContact OD2-NZ 3.44Å; L270-K316 VanDerWaalsContact CD2-O 3.25Å; L270-K316 WeakPolarHBondContact CD2-O 3.35Å; K310-K316 PolarHBondContact NZ-O 3.4Å; N314-K316 PolarHBondContact O-N 2.85Å; K316-C318 PolarHBondContact O-N 3.44Å; K316-D361 WeakPolarHBondContact CD-OD2 3.48Å; K316-D361 WeakPolarHBondContact CE-OD2 3.29Å; K316-D361 IonicContact NZ-OD2 3.94Å; K316-D361 PolarHBondContact NZ-OD2 2.88Å
317	Y	98.5	Very high	96.6	Very high	12 Å²	12	25.2 Å²	25.2	5%	0.047	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	88	-175.5	-59.1	-70.4	0	0	0	111.5	K240 A241 F242 V273 V354 A357 V358 D361	K240-Y317 PolarHBondContact O-N 3.09Å; A241-Y317 CarbonylContact C-O 3.58Å; A241-Y317 WeakPolarHBondContact CA-O 3.13Å; F242-Y317 PolarHBondContact N-O 2.9Å; V273-Y317 HydrophobicContact CB-CD1 4.47Å; V273-Y317 HydrophobicContact CB-CE1 4.28Å; V273-Y317 HydrophobicContact CG1-CD1 4.38Å; V273-Y317 HydrophobicContact CG1-CE1 4.46Å; V273-Y317 HydrophobicContact CG2-CD1 4.35Å; V273-Y317 HydrophobicContact CG2-CE1 3.69Å; Y317-V354 HydrophobicContact CG-CG1 4.24Å; Y317-A357 HydrophobicContact CE1-CB 3.94Å; Y317-A357 HydrophobicContact CE2-CB 4.21Å; Y317-V358 HydrophobicContact CD2-CG2 3.56Å; Y317-V358 HydrophobicContact CE2-CG2 4.09Å; Y317-V358 HydrophobicContact CG-CG2 4.38Å; Y317-D361 PolarHBondContact OH-OD2 3.43Å
318	C	98.3	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.8	178.5	-155	0	0	0	0	110.6	F242 P255 A306 K310 V315 K316	F242-C318 CarbonylContact O-C 3.58Å; F242-C318 WeakPolarHBondContact O-CA 3.47Å; P255-C318 WeakPolarHBondContact CD-O 3.27Å; P255-C318 HydrophobicContact CG-CB 4Å; A306-C318 PolarHBondContact O-SG 2.87Å; K310-C318 HydrophobicContact CB-CB 4.18Å; K310-C318 HydrophobicContact CD-CB 4.05Å; V315-C318 HydrophobicContact CG1-CB 3.77Å; K316-C318 PolarHBondContact O-N 3.44Å
319	Y	98.7	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	150	178.5	-56.8	-74.3	0	0	0	112.4	F242 I243 D244 W252 I253 H254 L270 A274 V354	F242-Y319 PolarHBondContact O-N 2.68Å; I243-Y319 WeakPolarHBondContact CA-O 3.34Å; I243-Y319 HydrophobicContact CG1-CD2 4.43Å; D244-Y319 PolarHBondContact N-O 2.93Å; W252-Y319 AromaticContact CD1-CD1 3.49Å; W252-Y319 VanDerWaalsContact CD1-CD1 3.49Å; W252-Y319 AromaticContact CD1-CE1 3.93Å; W252-Y319 AromaticContact CD1-CG 3.98Å; W252-Y319 HydrophobicContact CZ2-CD2 4.49Å; W252-Y319 AromaticContact NE1-CD1 3.12Å; W252-Y319 AromaticContact NE1-CD2 3.76Å; W252-Y319 AromaticContact NE1-CE1 3.5Å; W252-Y319 AromaticContact NE1-CG 3.26Å; W252-Y319 VanDerWaalsContact NE1-CG 3.26Å; W252-Y319 AromaticContact NE1-CZ 3.95Å; I253-Y319 CarbonylContact O-C 3.59Å; I253-Y319 WeakPolarHBondContact O-CA 3.3Å; H254-Y319 HydrophobicContact CB-CD1 4.11Å; H254-Y319 HydrophobicContact CB-CE1 4.12Å; L270-Y319 WeakPolarHBondContact CA-OH 3.07Å; L270-Y319 HydrophobicContact CB-CE1 4.35Å; L270-Y319 HydrophobicContact CD2-CE1 3.78Å; L270-Y319 HydrophobicContact CD2-CE2 4.26Å; L270-Y319 PolarHBondContact O-OH 3.45Å; A274-Y319 HydrophobicContact CB-CE1 3.84Å; Y319-V354 HydrophobicContact CD2-CG1 4.43Å; Y319-V354 HydrophobicContact CD2-CG2 4.26Å; Y319-V354 HydrophobicContact CE2-CG1 4.03Å; Y319-V354 HydrophobicContact CE2-CG2 3.95Å
320	L	98.3	Very high	94.6	Very high	20 Å²	20	43.9 Å²	43.9	11%	0.105	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.5	157.4	-179.1	152.8	0	0	0	107.1	D244 H246 I253 A306 E322	D244-L320 CarbonylContact O-C 3.43Å; D244-L320 WeakPolarHBondContact O-CA 3.37Å; H246-L320 HydrophobicContact CB-CD2 4.2Å; H246-L320 VanDerWaalsContact CD2-CD1 3.47Å; H246-L320 WeakPolarHBondContact CD2-CD1 3.17Å; I253-L320 WeakPolarHBondContact CA-O 3.34Å; I253-L320 HydrophobicContact CB-CB 4.24Å; I253-L320 HydrophobicContact CB-CD2 4.36Å; I253-L320 WeakPolarHBondContact CB-O 3.39Å; I253-L320 HydrophobicContact CD1-CD2 3.84Å; I253-L320 HydrophobicContact CG2-CB 4.45Å; I253-L320 PolarHBondContact N-O 3.48Å; I253-L320 PolarHBondContact O-N 2.61Å; A306-L320 HydrophobicContact CB-CB 4.46Å; L320-E322 HydrophobicContact CD2-CG 3.87Å
321	I	98.7	Very high	93.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.5	179.8	-50.8	176.3	0	0	0	108.8	I243 D244 L245 H246 L251 W252 Y289 L323 I351	I243-I321 HydrophobicContact CD1-CD1 4.46Å; I243-I321 HydrophobicContact CG2-CD1 3.56Å; I243-I321 HydrophobicContact CG2-CG1 4Å; D244-I321 PolarHBondContact O-N 3.44Å; L245-I321 HydrophobicContact CD2-CB 4.16Å; L245-I321 HydrophobicContact CD2-CD1 4.1Å; L245-I321 HydrophobicContact CD2-CG1 4.49Å; H246-I321 CarbonylContact C-O 3.54Å; H246-I321 PolarHBondContact N-O 2.67Å; H246-I321 VanDerWaalsContact O-O 3.06Å; L251-I321 CarbonylContact O-C 3.55Å; L251-I321 WeakPolarHBondContact O-CA 3.33Å; W252-I321 HydrophobicContact CD2-CD1 4.18Å; W252-I321 HydrophobicContact CD2-CG1 4.2Å; W252-I321 HydrophobicContact CE3-CD1 4.01Å; W252-I321 HydrophobicContact CE3-CG1 4.33Å; W252-I321 HydrophobicContact CE3-CG2 4.31Å; W252-I321 HydrophobicContact CH2-CD1 3.55Å; W252-I321 HydrophobicContact CZ2-CD1 3.74Å; W252-I321 HydrophobicContact CZ2-CG1 4.44Å; W252-I321 HydrophobicContact CZ3-CD1 3.7Å; Y289-I321 HydrophobicContact CD1-CG2 4.43Å; Y289-I321 HydrophobicContact CE1-CG2 4Å; I321-L323 HydrophobicContact CB-CD2 4.43Å; I321-L323 HydrophobicContact CG2-CD2 3.72Å; I321-I351 HydrophobicContact CD1-CG1 4.44Å
322	E	98.1	Very high	92.7	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.093	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	108.3	168.5	-66	-68.5	174.5	0	0	108.5	H246 T247 Y248 Q250 L251 I253 Y289 L320	H246-E322 WeakPolarHBondContact CB-OE2 3.28Å; T247-E322 VanDerWaalsContact CA-OE2 3.3Å; T247-E322 WeakPolarHBondContact CA-OE2 3.33Å; T247-E322 PolarHBondContact N-OE2 2.64Å; Y248-E322 PolarHBondContact N-OE2 3.01Å; Q250-E322 CarbonylContact C-O 3.57Å; Q250-E322 WeakPolarHBondContact CA-O 3.12Å; Q250-E322 PolarHBondContact N-O 3.46Å; Q250-E322 VanDerWaalsContact N-O 3.11Å; L251-E322 HydrophobicContact CB-CB 3.9Å; L251-E322 HydrophobicContact CB-CG 4.15Å; L251-E322 HydrophobicContact CD1-CG 4.31Å; L251-E322 HydrophobicContact CG-CB 4.26Å; L251-E322 HydrophobicContact CG-CG 4.48Å; L251-E322 PolarHBondContact N-O 2.62Å; L251-E322 PolarHBondContact O-N 3.34Å; I253-E322 HydrophobicContact CD1-CG 4.09Å; Y289-E322 WeakPolarHBondContact CE1-O 3.41Å; L320-E322 HydrophobicContact CD2-CG 3.87Å
323	L	98.3	Very high	92.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-171.6	-176.4	-56.3	-178.5	0	0	0	112.3	T125 L245 H246 T247 Y248 S249 Q250 Y289 I321 T343 T347	T125-L323 HydrophobicContact CG2-CD1 4.14Å; L245-L323 HydrophobicContact CD2-CD2 4.45Å; H246-L323 WeakPolarHBondContact O-CB 3.44Å; H246-L323 VanDerWaalsContact O-CG 3.23Å; H246-L323 WeakPolarHBondContact O-CG 3.32Å; H246-L323 PolarHBondContact O-N 3.46Å; T247-L323 HydrophobicContact CG2-CB 3.85Å; T247-L323 HydrophobicContact CG2-CD1 4.38Å; T247-L323 HydrophobicContact CG2-CG 4.43Å; Y248-L323 WeakPolarHBondContact CA-O 3.43Å; S249-L323 PolarHBondContact N-O 3.28Å; S249-L323 VanDerWaalsContact N-O 3.14Å; Q250-L323 PolarHBondContact N-O 3.04Å; Q250-L323 VanDerWaalsContact N-O 3.11Å; Y289-L323 WeakPolarHBondContact OH-CA 3.35Å; I321-L323 HydrophobicContact CB-CD2 4.43Å; I321-L323 HydrophobicContact CG2-CD2 3.72Å; L323-T343 HydrophobicContact CB-CG2 3.93Å; L323-T343 HydrophobicContact CD1-CG2 4.17Å; L323-T343 HydrophobicContact CG-CG2 4.48Å; L323-T347 HydrophobicContact CD2-CG2 3.6Å; L323-T347 VanDerWaalsContact CD2-OG1 3.3Å; L323-T347 WeakPolarHBondContact CD2-OG1 3.33Å
324	R	96.6	Very high	91.4	Very high	19 Å²	19	40 Å²	40	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	158.3	171.7	-68	-159.4	-164.6	-174.1	3.9	112.3	Q250 T287 Y289 L335 E339 T343 E346	Q250-R324 HydrophobicContact CG-CG 4.43Å; T287-R324 HydrophobicContact CG2-CG 4.18Å; T287-R324 PolarHBondContact OG1-NH2 3.46Å; Y289-R324 PolarHBondContact OH-N 3.47Å; R324-L335 HydrophobicContact CB-CD1 3.99Å; R324-E339 IonicContact CZ-OE2 3.75Å; R324-E339 IonicContact NH1-OE1 3.01Å; R324-E339 IonicContact NH1-OE2 2.64Å; R324-E339 PolarHBondContact NH1-OE2 3.14Å; R324-T343 HydrophobicContact CB-CG2 4.08Å; R324-T343 WeakPolarHBondContact CB-OG1 3.3Å; R324-T343 VanDerWaalsContact CD-OG1 3.3Å; R324-T343 WeakPolarHBondContact CD-OG1 3.48Å; R324-T343 HydrophobicContact CG-CG2 4.16Å; R324-T343 WeakPolarHBondContact CG-OG1 3.34Å; R324-E346 WeakPolarHBondContact CG-OE1 3.26Å; R324-E346 IonicContact CZ-OE1 3.74Å; R324-E346 IonicContact CZ-OE2 2.91Å; R324-E346 IonicContact NE-OE1 2.67Å; R324-E346 PolarHBondContact NE-OE1 3.25Å; R324-E346 IonicContact NE-OE2 3.48Å; R324-E346 PolarHBondContact NE-OE2 3Å; R324-E346 IonicContact NH2-OE1 3.63Å; R324-E346 IonicContact NH2-OE2 3.37Å; R324-E346 PolarHBondContact NH2-OE2 2.9Å
325	P	95.5	Very high	91	Very high	17 Å²	17	34.2 Å²	34.2	11%	0.11	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-80.5	-174.6	-8.7	34.6	-34.7	0	0	0	112.3	Y248 S249 V329 G332 L335	Y248-P325 HydrophobicContact CD2-CG 4.32Å; S249-P325 WeakPolarHBondContact CA-O 3.27Å; S249-P325 PolarHBondContact N-O 2.81Å; P325-V329 HydrophobicContact CB-CB 3.96Å; P325-V329 HydrophobicContact CB-CG1 4.35Å; P325-V329 HydrophobicContact CB-CG2 3.72Å; P325-V329 HydrophobicContact CG-CB 3.67Å; P325-V329 HydrophobicContact CG-CG1 3.84Å; P325-V329 HydrophobicContact CG-CG2 4.03Å; P325-G332 WeakPolarHBondContact CD-O 3.32Å; P325-G332 VanDerWaalsContact CG-CA 3.44Å; P325-L335 HydrophobicContact CB-CD1 4.42Å; P325-L335 HydrophobicContact CG-CD1 4.45Å
326	S	94.1	Very high	90.3	Very high	30 Å²	30	37.2 Å²	37.2	21%	0.21	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	159.9	172.8	68	0	0	0	0	112.1	W328 V329	S326-W328 PolarHBondContact O-N 2.93Å; S326-V329 PolarHBondContact O-N 3.46Å; S326-V329 VanDerWaalsContact O-N 3.09Å
327	E	91.1	Very high	89.5	Confident	65 Å²	65	34.6 Å²	34.6	30%	0.304	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-18.7	175.3	70.3	-159.9	174.4	0	0	115	K290	K290-E327 IonicContact NZ-OE1 3.09Å; K290-E327 PolarHBondContact NZ-OE1 2.76Å; K290-E327 IonicContact NZ-OE2 3.65Å; K290-E327 PolarHBondContact NZ-OE2 3.14Å
328	W	89.8	Confident	88.7	Confident	209 Å²	209	36.7 Å²	36.7	79%	0.792	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.1	-178.5	-51.6	106.4	0	0	0	115	S326	S326-W328 PolarHBondContact O-N 2.93Å
329	V	86	Confident	88.3	Confident	51 Å²	51	40 Å²	40	31%	0.309	19%	0.193	S	C	.	.			trans	-92	112.4	179.2	179.3	0	0	0	0	109.3	Y248 P325 S326 D331 G332	Y248-V329 WeakPolarHBondContact CE2-O 3.47Å; Y248-V329 PolarHBondContact OH-O 3.39Å; P325-V329 HydrophobicContact CB-CB 3.96Å; P325-V329 HydrophobicContact CB-CG1 4.35Å; P325-V329 HydrophobicContact CB-CG2 3.72Å; P325-V329 HydrophobicContact CG-CB 3.67Å; P325-V329 HydrophobicContact CG-CG1 3.84Å; P325-V329 HydrophobicContact CG-CG2 4.03Å; S326-V329 PolarHBondContact O-N 3.46Å; S326-V329 VanDerWaalsContact O-N 3.09Å; V329-D331 VanDerWaalsContact CG1-OD1 3.3Å; V329-D331 WeakPolarHBondContact CG1-OD1 3.38Å; V329-D331 PolarHBondContact O-N 3.26Å; V329-G332 PolarHBondContact O-N 3.02Å; V329-G332 VanDerWaalsContact O-N 3.16Å
330	Y	76	Confident	87.6	Confident	154 Å²	154	40.6 Å²	40.6	60%	0.604	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	-169.8	80.8	-83.5	0	0	0	114.7
331	D	73.8	Confident	87	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.043	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	33.3	178.5	64.1	-29.2	0	0	0	112.1	W32 R35 V329 F333 I334	W32-D331 HydrophobicContact CH2-CB 3.48Å; W32-D331 VanDerWaalsContact CH2-CB 3.48Å; W32-D331 HydrophobicContact CZ2-CB 4.2Å; W32-D331 HydrophobicContact CZ3-CB 3.98Å; R35-D331 IonicContact NH1-OD2 3.73Å; R35-D331 PolarHBondContact NH1-OD2 3.23Å; V329-D331 VanDerWaalsContact CG1-OD1 3.3Å; V329-D331 WeakPolarHBondContact CG1-OD1 3.38Å; V329-D331 PolarHBondContact O-N 3.26Å; D331-F333 PolarHBondContact O-N 2.69Å; D331-I334 PolarHBondContact O-N 2.71Å
332	G	80.6	Confident	86.7	Confident	1 Å²	1	42 Å²	42	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.6	-166.2	0	0	0	0	0	116.6	P325 V329 I334	P325-G332 WeakPolarHBondContact CD-O 3.32Å; P325-G332 VanDerWaalsContact CG-CA 3.44Å; V329-G332 PolarHBondContact O-N 3.02Å; V329-G332 VanDerWaalsContact O-N 3.16Å; G332-I334 VanDerWaalsContact C-N 3.33Å
333	F	83.7	Confident	86.6	Confident	35 Å²	35	41.1 Å²	41.1	15%	0.154	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.6	174	-60.2	-65.6	0	0	0	113.1	R118 E119 D173 T247 Y248 D331 L335	R118-F333 HydrophobicContact CG-CD1 3.91Å; R118-F333 HydrophobicContact CG-CD2 4.41Å; R118-F333 HydrophobicContact CG-CE1 4.17Å; R118-F333 HydrophobicContact CG-CG 4.04Å; E119-F333 HydrophobicContact CG-CD1 3.96Å; E119-F333 HydrophobicContact CG-CE1 4Å; D173-F333 WeakPolarHBondContact OD1-CD2 3.21Å; T247-F333 WeakPolarHBondContact O-CE1 3.29Å; Y248-F333 AromaticContact CD1-CD1 3.76Å; Y248-F333 HydrophobicContact CD1-CD1 3.76Å; Y248-F333 HydrophobicContact CD1-CD2 4.28Å; Y248-F333 AromaticContact CD1-CE1 3.76Å; Y248-F333 HydrophobicContact CD1-CE1 3.76Å; Y248-F333 HydrophobicContact CD1-CE2 4.26Å; Y248-F333 HydrophobicContact CD1-CG 4.03Å; Y248-F333 AromaticContact CD1-CZ 3.99Å; Y248-F333 HydrophobicContact CD1-CZ 3.99Å; Y248-F333 HydrophobicContact CE1-CD1 4.15Å; Y248-F333 AromaticContact CE1-CD2 3.84Å; Y248-F333 HydrophobicContact CE1-CD2 3.84Å; Y248-F333 HydrophobicContact CE1-CE1 4.01Å; Y248-F333 AromaticContact CE1-CE2 3.68Å; Y248-F333 HydrophobicContact CE1-CE2 3.68Å; Y248-F333 HydrophobicContact CE1-CG 4.07Å; Y248-F333 AromaticContact CE1-CZ 3.76Å; Y248-F333 HydrophobicContact CE1-CZ 3.76Å; D331-F333 PolarHBondContact O-N 2.69Å; F333-L335 PolarHBondContact O-N 2.91Å
334	I	81.5	Confident	86.4	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	-96.7	82.3	172.2	-52.7	-155.8	0	0	0	109	W32 R35 I36 P172 D331 G332	W32-I334 HydrophobicContact CD2-CD1 4.38Å; W32-I334 HydrophobicContact CE3-CB 4.42Å; W32-I334 HydrophobicContact CE3-CD1 3.19Å; W32-I334 HydrophobicContact CE3-CG1 4Å; W32-I334 HydrophobicContact CH2-CD1 4.11Å; W32-I334 HydrophobicContact CH2-CG1 4.15Å; W32-I334 HydrophobicContact CZ3-CB 3.69Å; W32-I334 HydrophobicContact CZ3-CD1 3.03Å; W32-I334 HydrophobicContact CZ3-CG1 3.3Å; W32-I334 HydrophobicContact CZ3-CG2 4.42Å; R35-I334 HydrophobicContact CB-CG2 4.12Å; R35-I334 PolarHBondContact NH1-O 3.07Å; I36-I334 HydrophobicContact CG1-CD1 4.29Å; P172-I334 HydrophobicContact CG-CD1 3.33Å; P172-I334 HydrophobicContact CG-CG1 4.06Å; D331-I334 PolarHBondContact O-N 2.71Å; G332-I334 VanDerWaalsContact C-N 3.33Å
335	L	82.1	Confident	86.3	Confident	14 Å²	14	45.8 Å²	45.8	7%	0.073	22%	0.218	C	C	.	.			trans	-64.2	138.6	173.4	-169.9	68.4	0	0	0	110.5	A121 R324 P325 F333 E339 I340	A121-L335 HydrophobicContact CB-CB 4.25Å; A121-L335 HydrophobicContact CB-CD2 3.62Å; R324-L335 HydrophobicContact CB-CD1 3.99Å; P325-L335 HydrophobicContact CB-CD1 4.42Å; P325-L335 HydrophobicContact CG-CD1 4.45Å; F333-L335 PolarHBondContact O-N 2.91Å; L335-E339 HydrophobicContact CD1-CB 3.77Å; L335-E339 HydrophobicContact CD1-CG 4.48Å; L335-E339 HydrophobicContact CD2-CB 4.06Å; L335-E339 HydrophobicContact CG-CB 3.77Å; L335-I340 HydrophobicContact CD2-CG1 4.34Å
336	D	81.6	Confident	86.4	Confident	62 Å²	62	45 Å²	45	33%	0.332	21%	0.213	S	C	.	.			trans	-56.2	132.2	172.2	-163.8	-64.4	0	0	0	109.7	R35 A338 E339	R35-D336 IonicContact NH2-OD2 3.08Å; R35-D336 PolarHBondContact NH2-OD2 3.25Å; R35-D336 VanDerWaalsContact NH2-OD2 3.08Å; D336-A338 PolarHBondContact O-N 2.99Å; D336-A338 VanDerWaalsContact O-N 3.08Å; D336-A338 VanDerWaalsContact OD1-CB 3.31Å; D336-A338 WeakPolarHBondContact OD1-CB 3.3Å; D336-A338 PolarHBondContact OD1-N 2.83Å; D336-E339 HydrophobicContact CB-CB 4.29Å; D336-E339 HydrophobicContact CB-CG 3.86Å; D336-E339 WeakPolarHBondContact O-CA 3.43Å; D336-E339 WeakPolarHBondContact O-CB 3.39Å; D336-E339 PolarHBondContact O-N 2.81Å
337	P	77.5	Confident	86.6	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-52.9	-34	178.1	-23	27.7	0	0	0	113.6	N39 L51 R55 E339 I340	N39-P337 WeakPolarHBondContact OD1-CG 3.42Å; L51-P337 WeakPolarHBondContact CD1-O 2.95Å; L51-P337 HydrophobicContact CD2-CB 3.87Å; R55-P337 VanDerWaalsContact NH2-CB 3.27Å; P337-E339 PolarHBondContact O-N 2.97Å; P337-I340 HydrophobicContact CB-CD1 4.48Å; P337-I340 PolarHBondContact O-N 3.38Å
338	A	83.1	Confident	86.9	Confident	56 Å²	56	40.7 Å²	40.7	46%	0.463	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-24.2	177.6	0	0	0	0	0	113	D336 P342	D336-A338 PolarHBondContact O-N 2.99Å; D336-A338 VanDerWaalsContact O-N 3.08Å; D336-A338 VanDerWaalsContact OD1-CB 3.31Å; D336-A338 WeakPolarHBondContact OD1-CB 3.3Å; D336-A338 PolarHBondContact OD1-N 2.83Å; A338-P342 WeakPolarHBondContact O-CD 3.44Å; A338-P342 WeakPolarHBondContact O-CG 3.3Å
339	E	88.3	Confident	87.3	Confident	70 Å²	70	33.9 Å²	33.9	33%	0.327	16%	0.164	S	C	.	.	H	α-helix	trans	-89.6	-12.8	-177.2	-66.4	-74.8	114.2	0	0	113	R324 L335 D336 P337 L341 P342 T343	R324-E339 IonicContact CZ-OE2 3.75Å; R324-E339 IonicContact NH1-OE1 3.01Å; R324-E339 IonicContact NH1-OE2 2.64Å; R324-E339 PolarHBondContact NH1-OE2 3.14Å; L335-E339 HydrophobicContact CD1-CB 3.77Å; L335-E339 HydrophobicContact CD1-CG 4.48Å; L335-E339 HydrophobicContact CD2-CB 4.06Å; L335-E339 HydrophobicContact CG-CB 3.77Å; D336-E339 HydrophobicContact CB-CB 4.29Å; D336-E339 HydrophobicContact CB-CG 3.86Å; D336-E339 WeakPolarHBondContact O-CA 3.43Å; D336-E339 WeakPolarHBondContact O-CB 3.39Å; D336-E339 PolarHBondContact O-N 2.81Å; P337-E339 PolarHBondContact O-N 2.97Å; E339-L341 PolarHBondContact O-N 3.41Å; E339-P342 WeakPolarHBondContact O-CD 3.36Å; E339-T343 VanDerWaalsContact O-CB 3.25Å; E339-T343 WeakPolarHBondContact O-CB 3.22Å; E339-T343 PolarHBondContact O-N 2.96Å; E339-T343 PolarHBondContact O-OG1 3.42Å
340	I	85.4	Confident	87.9	Confident	12 Å²	12	31.4 Å²	31.4	6%	0.062	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-50.2	-179	-62.1	174	0	0	0	111.1	L54 L335 P337 T343 A344	L54-I340 HydrophobicContact CB-CG2 4.48Å; L54-I340 HydrophobicContact CD1-CG2 4.04Å; L335-I340 HydrophobicContact CD2-CG1 4.34Å; P337-I340 HydrophobicContact CB-CD1 4.48Å; P337-I340 PolarHBondContact O-N 3.38Å; I340-T343 PolarHBondContact O-N 3.34Å; I340-A344 WeakPolarHBondContact O-CB 3.31Å; I340-A344 PolarHBondContact O-N 3.32Å
341	L	85.4	Confident	89	Confident	27 Å²	27	24.1 Å²	24.1	14%	0.141	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-46	-179.4	-83.1	177.5	0	0	0	113.3	L51 L54 F128 E339 T343 A344 R345	L51-L341 HydrophobicContact CD1-CD1 4.18Å; L54-L341 HydrophobicContact CD1-CD2 3.3Å; L54-L341 HydrophobicContact CD1-CG 3.66Å; F128-L341 HydrophobicContact CD2-CD2 3.87Å; F128-L341 HydrophobicContact CE2-CD2 3.99Å; E339-L341 PolarHBondContact O-N 3.41Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 3.23Å; L341-A344 PolarHBondContact O-N 3.19Å; L341-R345 WeakPolarHBondContact O-CB 3.45Å; L341-R345 VanDerWaalsContact O-CG 3.27Å; L341-R345 WeakPolarHBondContact O-CG 3.49Å; L341-R345 PolarHBondContact O-N 3.48Å
342	P	92.8	Very high	90.2	Very high	24 Å²	24	24.5 Å²	24.5	16%	0.156	12%	0.122	C	C	.	.	H	α-helix	trans	-52.9	-47.5	170.6	-29.1	35.3	0	0	0	112.7	Y285 A338 E339 A344 R345 E346	Y285-P342 HydrophobicContact CD2-CB 4.13Å; Y285-P342 HydrophobicContact CE2-CB 3.96Å; Y285-P342 VanDerWaalsContact CE2-O 3.31Å; Y285-P342 WeakPolarHBondContact CE2-O 3.49Å; A338-P342 WeakPolarHBondContact O-CD 3.44Å; A338-P342 WeakPolarHBondContact O-CG 3.3Å; E339-P342 WeakPolarHBondContact O-CD 3.36Å; P342-A344 PolarHBondContact O-N 2.91Å; P342-R345 PolarHBondContact O-N 2.9Å; P342-E346 WeakPolarHBondContact O-CB 3.32Å; P342-E346 WeakPolarHBondContact O-CG 3.08Å; P342-E346 PolarHBondContact O-N 3.32Å
343	T	94.6	Very high	91.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-47.4	177.6	-57.2	0	0	0	0	111.3	L323 R324 E339 I340 L341 R345 E346 T347	L323-T343 HydrophobicContact CB-CG2 3.93Å; L323-T343 HydrophobicContact CD1-CG2 4.17Å; L323-T343 HydrophobicContact CG-CG2 4.48Å; R324-T343 HydrophobicContact CB-CG2 4.08Å; R324-T343 WeakPolarHBondContact CB-OG1 3.3Å; R324-T343 VanDerWaalsContact CD-OG1 3.3Å; R324-T343 WeakPolarHBondContact CD-OG1 3.48Å; R324-T343 HydrophobicContact CG-CG2 4.16Å; R324-T343 WeakPolarHBondContact CG-OG1 3.34Å; E339-T343 VanDerWaalsContact O-CB 3.25Å; E339-T343 WeakPolarHBondContact O-CB 3.22Å; E339-T343 PolarHBondContact O-N 2.96Å; E339-T343 PolarHBondContact O-OG1 3.42Å; I340-T343 PolarHBondContact O-N 3.34Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 3.23Å; T343-R345 PolarHBondContact O-N 3.37Å; T343-E346 WeakPolarHBondContact O-CG 3.17Å; T343-T347 WeakPolarHBondContact O-CB 3.26Å; T343-T347 PolarHBondContact O-N 2.94Å; T343-T347 PolarHBondContact O-OG1 3.31Å
344	A	94.4	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.8	-39.6	-178.7	0	0	0	0	0	112.8	T125 F128 I340 L341 P342 W348	T125-A344 HydrophobicContact CG2-CB 4.18Å; F128-A344 HydrophobicContact CB-CB 3.71Å; F128-A344 HydrophobicContact CD1-CB 3.63Å; F128-A344 HydrophobicContact CD2-CB 4.17Å; F128-A344 HydrophobicContact CE1-CB 4.31Å; F128-A344 HydrophobicContact CG-CB 3.56Å; I340-A344 WeakPolarHBondContact O-CB 3.31Å; I340-A344 PolarHBondContact O-N 3.32Å; L341-A344 PolarHBondContact O-N 3.19Å; P342-A344 PolarHBondContact O-N 2.91Å; A344-W348 VanDerWaalsContact O-CB 3.26Å; A344-W348 WeakPolarHBondContact O-CB 3.29Å; A344-W348 PolarHBondContact O-N 3.27Å
345	R	94.8	Very high	92.6	Very high	117 Å²	117	23.1 Å²	23.1	44%	0.442	12%	0.116	S	C	.	.	H	α-helix	trans	-66.4	-46.8	179.8	-75.6	172.9	179.6	175.2	-0	112.4	F128 M284 Y285 L341 P342 T343 W348 R349	F128-R345 HydrophobicContact CE1-CG 4.34Å; F128-R345 HydrophobicContact CE2-CG 4.2Å; F128-R345 HydrophobicContact CZ-CG 3.68Å; M284-R345 HydrophobicContact CE-CB 3.98Å; Y285-R345 HydrophobicContact CE2-CB 4.14Å; Y285-R345 WeakPolarHBondContact OH-CD 3.47Å; L341-R345 WeakPolarHBondContact O-CB 3.45Å; L341-R345 VanDerWaalsContact O-CG 3.27Å; L341-R345 WeakPolarHBondContact O-CG 3.49Å; L341-R345 PolarHBondContact O-N 3.48Å; P342-R345 PolarHBondContact O-N 2.9Å; T343-R345 PolarHBondContact O-N 3.37Å; R345-W348 PolarHBondContact O-N 3.19Å; R345-R349 PolarHBondContact O-N 3.08Å; R345-R349 VanDerWaalsContact O-N 3.07Å
346	E	97.5	Very high	93.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.3	-40.2	-178.9	80.1	179.7	-176.2	0	0	111.2	L281 M284 Y285 T287 Y289 R324 P342 T343 W348 R349 G350	L281-E346 HydrophobicContact CD1-CB 4.41Å; L281-E346 HydrophobicContact CD1-CG 3.98Å; L281-E346 HydrophobicContact CD2-CB 3.93Å; L281-E346 VanDerWaalsContact CD2-CD 3.5Å; L281-E346 HydrophobicContact CD2-CG 3.72Å; L281-E346 HydrophobicContact CG-CB 3.65Å; L281-E346 HydrophobicContact CG-CG 3.66Å; L281-E346 WeakPolarHBondContact CG-O 3.28Å; M284-E346 HydrophobicContact CB-CB 4.37Å; M284-E346 HydrophobicContact SD-CB 4.34Å; Y285-E346 HydrophobicContact CD2-CB 3.84Å; Y285-E346 HydrophobicContact CE2-CB 4.08Å; T287-E346 WeakPolarHBondContact CB-OE2 3.33Å; T287-E346 PolarHBondContact OG1-OE2 3.19Å; Y289-E346 PolarHBondContact OH-OE1 2.85Å; R324-E346 WeakPolarHBondContact CG-OE1 3.26Å; R324-E346 IonicContact CZ-OE1 3.74Å; R324-E346 IonicContact CZ-OE2 2.91Å; R324-E346 IonicContact NE-OE1 2.67Å; R324-E346 PolarHBondContact NE-OE1 3.25Å; R324-E346 IonicContact NE-OE2 3.48Å; R324-E346 PolarHBondContact NE-OE2 3Å; R324-E346 IonicContact NH2-OE1 3.63Å; R324-E346 IonicContact NH2-OE2 3.37Å; R324-E346 PolarHBondContact NH2-OE2 2.9Å; P342-E346 WeakPolarHBondContact O-CB 3.32Å; P342-E346 WeakPolarHBondContact O-CG 3.08Å; P342-E346 PolarHBondContact O-N 3.32Å; T343-E346 WeakPolarHBondContact O-CG 3.17Å; E346-W348 PolarHBondContact O-N 2.85Å; E346-R349 WeakPolarHBondContact O-CB 3.4Å; E346-R349 PolarHBondContact O-N 3.29Å; E346-R349 VanDerWaalsContact O-N 3.15Å; E346-G350 PolarHBondContact O-N 3.08Å
347	T	98.4	Very high	94.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-45.4	176.2	-57.5	0	0	0	0	110.3	T125 L245 L323 T343 R349 G350 I351	T125-T347 HydrophobicContact CG2-CG2 3.95Å; L245-T347 HydrophobicContact CD2-CG2 4.16Å; L323-T347 HydrophobicContact CD2-CG2 3.6Å; L323-T347 VanDerWaalsContact CD2-OG1 3.3Å; L323-T347 WeakPolarHBondContact CD2-OG1 3.33Å; T343-T347 WeakPolarHBondContact O-CB 3.26Å; T343-T347 PolarHBondContact O-N 2.94Å; T343-T347 PolarHBondContact O-OG1 3.31Å; T347-R349 VanDerWaalsContact C-N 3.28Å; T347-R349 PolarHBondContact O-N 3.16Å; T347-G350 PolarHBondContact O-N 3.31Å; T347-G350 VanDerWaalsContact O-N 3.13Å; T347-I351 HydrophobicContact CG2-CD1 3.9Å; T347-I351 HydrophobicContact CG2-CG1 4.42Å; T347-I351 WeakPolarHBondContact O-CG1 3.17Å; T347-I351 PolarHBondContact O-N 3.49Å
348	W	97.9	Very high	95.1	Very high	6 Å²	6	22.1 Å²	22.1	2%	0.023	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-42.6	174.6	174.6	-109.8	0	0	0	111.7	F128 I129 K132 L133 L143 W152 A344 R345 E346 G350 I351 Q352	F128-W348 HydrophobicContact CE1-CB 4.22Å; I129-W348 HydrophobicContact CB-CE3 4.29Å; I129-W348 HydrophobicContact CD1-CE3 4.24Å; I129-W348 HydrophobicContact CG1-CB 4.32Å; I129-W348 HydrophobicContact CG1-CD2 4.45Å; I129-W348 HydrophobicContact CG1-CE3 3.83Å; I129-W348 HydrophobicContact CG2-CE3 3.61Å; I129-W348 HydrophobicContact CG2-CZ3 3.61Å; K132-W348 HydrophobicContact CD-CD2 4.33Å; K132-W348 HydrophobicContact CD-CG 4.08Å; K132-W348 VanDerWaalsContact CE-CD1 3.43Å; L133-W348 HydrophobicContact CD1-CH2 4.07Å; L133-W348 HydrophobicContact CD1-CZ3 4.15Å; L133-W348 HydrophobicContact CD2-CH2 3.66Å; L133-W348 HydrophobicContact CD2-CZ2 4.07Å; L133-W348 HydrophobicContact CG-CH2 3.96Å; L133-W348 HydrophobicContact CG-CZ2 4.48Å; L133-W348 HydrophobicContact CG-CZ3 4.39Å; L143-W348 HydrophobicContact CD1-CZ2 3.89Å; W152-W348 AromaticContact CH2-CH2 3.72Å; W152-W348 HydrophobicContact CH2-CH2 3.72Å; W152-W348 HydrophobicContact CH2-CZ3 4.04Å; W152-W348 HydrophobicContact CZ2-CH2 4.11Å; W152-W348 HydrophobicContact CZ3-CH2 4.18Å; W152-W348 HydrophobicContact CZ3-CZ3 4.08Å; A344-W348 VanDerWaalsContact O-CB 3.26Å; A344-W348 WeakPolarHBondContact O-CB 3.29Å; A344-W348 PolarHBondContact O-N 3.27Å; R345-W348 PolarHBondContact O-N 3.19Å; E346-W348 PolarHBondContact O-N 2.85Å; W348-G350 VanDerWaalsContact C-N 3.32Å; W348-G350 PolarHBondContact O-N 3.47Å; W348-I351 HydrophobicContact CE3-CB 4.2Å; W348-I351 HydrophobicContact CE3-CG2 4.05Å; W348-I351 HydrophobicContact CZ3-CB 4.42Å; W348-I351 HydrophobicContact CZ3-CG2 3.79Å; W348-I351 PolarHBondContact O-N 2.99Å; W348-I351 VanDerWaalsContact O-N 3.17Å; W348-Q352 HydrophobicContact CD2-CG 4.11Å; W348-Q352 VanDerWaalsContact CE2-CG 3.5Å; W348-Q352 HydrophobicContact CH2-CG 4.17Å; W348-Q352 HydrophobicContact CZ2-CG 3.56Å; W348-Q352 WeakPolarHBondContact O-CG 3.49Å; W348-Q352 PolarHBondContact O-N 3.16Å
349	R	98.4	Very high	95.7	Very high	65 Å²	65	20.6 Å²	20.6	25%	0.245	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-41.3	177	-179.5	59.2	-172.8	145.9	-0.5	112.2	E280 M284 R345 E346 T347 Q352 E356	E280-R349 HydrophobicContact CB-CG 3.96Å; E280-R349 IonicContact OE2-CZ 2.82Å; E280-R349 VanDerWaalsContact OE2-CZ 3.28Å; E280-R349 IonicContact OE2-NE 3.9Å; E280-R349 PolarHBondContact OE2-NE 2.91Å; E280-R349 IonicContact OE2-NH2 2.7Å; E280-R349 PolarHBondContact OE2-NH2 3.45Å; M284-R349 HydrophobicContact CG-CB 4.42Å; M284-R349 HydrophobicContact CG-CG 4.44Å; M284-R349 HydrophobicContact SD-CB 3.54Å; M284-R349 VanDerWaalsContact SD-CB 3.54Å; M284-R349 HydrophobicContact SD-CG 4.09Å; R345-R349 PolarHBondContact O-N 3.08Å; R345-R349 VanDerWaalsContact O-N 3.07Å; E346-R349 WeakPolarHBondContact O-CB 3.4Å; E346-R349 PolarHBondContact O-N 3.29Å; E346-R349 VanDerWaalsContact O-N 3.15Å; T347-R349 VanDerWaalsContact C-N 3.28Å; T347-R349 PolarHBondContact O-N 3.16Å; R349-Q352 WeakPolarHBondContact O-CB 3.13Å; R349-Q352 PolarHBondContact O-N 2.87Å; R349-E356 IonicContact NH1-OE1 3.97Å; R349-E356 PolarHBondContact NH1-OE1 3.22Å
350	G	98.6	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-44.6	172.8	0	0	0	0	0	112.7	A277 E346 T347 W348 Q352 V353 V354	A277-G350 WeakPolarHBondContact CB-O 3.19Å; E346-G350 PolarHBondContact O-N 3.08Å; T347-G350 PolarHBondContact O-N 3.31Å; T347-G350 VanDerWaalsContact O-N 3.13Å; W348-G350 VanDerWaalsContact C-N 3.32Å; W348-G350 PolarHBondContact O-N 3.47Å; G350-Q352 VanDerWaalsContact C-N 3.28Å; G350-Q352 PolarHBondContact O-N 3.48Å; G350-V353 WeakPolarHBondContact O-CB 3.38Å; G350-V353 PolarHBondContact O-N 3.35Å; G350-V353 VanDerWaalsContact O-N 3.08Å; G350-V354 PolarHBondContact O-N 3.42Å
351	I	98.8	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-36.2	178.4	-69.1	172	0	0	0	111.5	F109 I111 I129 W152 I243 L245 I321 T347 W348 V353 V354 A355	F109-I351 HydrophobicContact CE1-CG2 4.1Å; F109-I351 HydrophobicContact CZ-CG2 4.03Å; I111-I351 HydrophobicContact CD1-CD1 4.32Å; I111-I351 HydrophobicContact CD1-CG2 4.13Å; I129-I351 HydrophobicContact CD1-CD1 3.59Å; W152-I351 HydrophobicContact CZ3-CG2 4.2Å; I243-I351 HydrophobicContact CD1-CB 4.43Å; I243-I351 HydrophobicContact CD1-CG1 3.83Å; I243-I351 HydrophobicContact CD1-CG2 4.23Å; L245-I351 HydrophobicContact CD2-CD1 4.39Å; I321-I351 HydrophobicContact CD1-CG1 4.44Å; T347-I351 HydrophobicContact CG2-CD1 3.9Å; T347-I351 HydrophobicContact CG2-CG1 4.42Å; T347-I351 WeakPolarHBondContact O-CG1 3.17Å; T347-I351 PolarHBondContact O-N 3.49Å; W348-I351 HydrophobicContact CE3-CB 4.2Å; W348-I351 HydrophobicContact CE3-CG2 4.05Å; W348-I351 HydrophobicContact CZ3-CB 4.42Å; W348-I351 HydrophobicContact CZ3-CG2 3.79Å; W348-I351 PolarHBondContact O-N 2.99Å; W348-I351 VanDerWaalsContact O-N 3.17Å; I351-V353 VanDerWaalsContact C-N 3.26Å; I351-V353 PolarHBondContact O-N 3.45Å; I351-V354 WeakPolarHBondContact O-CB 3.19Å; I351-V354 PolarHBondContact O-N 3.06Å; I351-V354 VanDerWaalsContact O-N 3.1Å; I351-A355 PolarHBondContact O-N 2.98Å
352	Q	98.6	Very high	96.6	Very high	16 Å²	16	22.6 Å²	22.6	8%	0.075	11%	0.106	C	C	.	.	H	α-helix	trans	-58	-38.6	174.1	-70.4	178.9	-77.3	0	0	112.1	F147 W348 R349 G350 V354 A355 E356	F147-Q352 HydrophobicContact CE2-CG 4.33Å; F147-Q352 HydrophobicContact CZ-CB 4.35Å; F147-Q352 HydrophobicContact CZ-CG 4.47Å; W348-Q352 HydrophobicContact CD2-CG 4.11Å; W348-Q352 VanDerWaalsContact CE2-CG 3.5Å; W348-Q352 HydrophobicContact CH2-CG 4.17Å; W348-Q352 HydrophobicContact CZ2-CG 3.56Å; W348-Q352 WeakPolarHBondContact O-CG 3.49Å; W348-Q352 PolarHBondContact O-N 3.16Å; R349-Q352 WeakPolarHBondContact O-CB 3.13Å; R349-Q352 PolarHBondContact O-N 2.87Å; G350-Q352 VanDerWaalsContact C-N 3.28Å; G350-Q352 PolarHBondContact O-N 3.48Å; Q352-V354 VanDerWaalsContact C-N 3.3Å; Q352-V354 PolarHBondContact O-N 3.44Å; Q352-A355 WeakPolarHBondContact O-CB 3.24Å; Q352-A355 PolarHBondContact O-N 2.91Å; Q352-A355 VanDerWaalsContact O-N 3.15Å; Q352-E356 WeakPolarHBondContact O-CB 3.18Å; Q352-E356 VanDerWaalsContact O-CG 3.23Å; Q352-E356 WeakPolarHBondContact O-CG 3.46Å; Q352-E356 PolarHBondContact O-N 2.99Å
353	V	98.8	Very high	96.4	Very high	11 Å²	11	26.1 Å²	26.1	7%	0.067	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-38.1	176.7	178.2	0	0	0	0	111.6	K276 A277 E280 G350 I351 A357	K276-V353 HydrophobicContact CB-CG1 3.71Å; A277-V353 HydrophobicContact CB-CB 4.06Å; A277-V353 HydrophobicContact CB-CG1 4.28Å; E280-V353 HydrophobicContact CB-CG2 3.95Å; E280-V353 HydrophobicContact CG-CG2 3.72Å; G350-V353 WeakPolarHBondContact O-CB 3.38Å; G350-V353 PolarHBondContact O-N 3.35Å; G350-V353 VanDerWaalsContact O-N 3.08Å; I351-V353 VanDerWaalsContact C-N 3.26Å; I351-V353 PolarHBondContact O-N 3.45Å; V353-A357 PolarHBondContact O-N 3.18Å; V353-A357 VanDerWaalsContact O-N 3.1Å
354	V	98.8	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-43.1	174.2	-174.8	0	0	0	0	110.6	F109 A241 I243 W252 V273 Y317 Y319 G350 I351 Q352 E356 A357 V358	F109-V354 HydrophobicContact CE2-CB 4.19Å; F109-V354 HydrophobicContact CE2-CG1 3.87Å; F109-V354 HydrophobicContact CZ-CB 4.02Å; F109-V354 HydrophobicContact CZ-CG1 3.82Å; A241-V354 HydrophobicContact CB-CG1 4.24Å; I243-V354 HydrophobicContact CD1-CB 4.4Å; I243-V354 HydrophobicContact CD1-CG1 4.43Å; I243-V354 HydrophobicContact CD1-CG2 4.23Å; W252-V354 HydrophobicContact CH2-CG2 4.26Å; W252-V354 HydrophobicContact CZ2-CG2 3.63Å; V273-V354 HydrophobicContact CG1-CB 4.45Å; V273-V354 HydrophobicContact CG1-CG2 4.06Å; Y317-V354 HydrophobicContact CG-CG1 4.24Å; Y319-V354 HydrophobicContact CD2-CG1 4.43Å; Y319-V354 HydrophobicContact CD2-CG2 4.26Å; Y319-V354 HydrophobicContact CE2-CG1 4.03Å; Y319-V354 HydrophobicContact CE2-CG2 3.95Å; G350-V354 PolarHBondContact O-N 3.42Å; I351-V354 WeakPolarHBondContact O-CB 3.19Å; I351-V354 PolarHBondContact O-N 3.06Å; I351-V354 VanDerWaalsContact O-N 3.1Å; Q352-V354 VanDerWaalsContact C-N 3.3Å; Q352-V354 PolarHBondContact O-N 3.44Å; V354-E356 PolarHBondContact O-N 3.47Å; V354-A357 WeakPolarHBondContact O-CB 3.42Å; V354-A357 PolarHBondContact O-N 2.91Å; V354-A357 VanDerWaalsContact O-N 3.15Å; V354-V358 WeakPolarHBondContact O-CG2 3.26Å; V354-V358 PolarHBondContact O-N 2.93Å
355	A	98.4	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-41.4	178.1	0	0	0	0	0	112.4	F109 F147 L150 W152 I351 Q352 A357 V358 V359	F109-A355 HydrophobicContact CD2-CB 4.21Å; F109-A355 HydrophobicContact CE2-CB 3.85Å; F147-A355 HydrophobicContact CD1-CB 4.05Å; F147-A355 HydrophobicContact CE1-CB 3.71Å; F147-A355 HydrophobicContact CE2-CB 4.4Å; F147-A355 HydrophobicContact CZ-CB 3.91Å; L150-A355 HydrophobicContact CD1-CB 3.81Å; W152-A355 HydrophobicContact CH2-CB 3.57Å; W152-A355 HydrophobicContact CZ2-CB 4.12Å; I351-A355 PolarHBondContact O-N 2.98Å; Q352-A355 WeakPolarHBondContact O-CB 3.24Å; Q352-A355 PolarHBondContact O-N 2.91Å; Q352-A355 VanDerWaalsContact O-N 3.15Å; A355-A357 VanDerWaalsContact C-N 3.29Å; A355-A357 PolarHBondContact O-N 2.94Å; A355-V358 PolarHBondContact O-N 3.23Å; A355-V359 WeakPolarHBondContact O-CG2 3.18Å; A355-V359 PolarHBondContact O-N 3.08Å
356	E	98.3	Very high	94.8	Very high	52 Å²	52	34.5 Å²	34.5	24%	0.243	17%	0.173	C	C	.	.	H	α-helix	trans	-56.8	-43.3	171.8	-71.2	164.7	-154.2	0	0	110.8	F147 R349 Q352 V354 V359 Q360	F147-E356 HydrophobicContact CE1-CG 4Å; F147-E356 HydrophobicContact CZ-CG 4.2Å; R349-E356 IonicContact NH1-OE1 3.97Å; R349-E356 PolarHBondContact NH1-OE1 3.22Å; Q352-E356 WeakPolarHBondContact O-CB 3.18Å; Q352-E356 VanDerWaalsContact O-CG 3.23Å; Q352-E356 WeakPolarHBondContact O-CG 3.46Å; Q352-E356 PolarHBondContact O-N 2.99Å; V354-E356 PolarHBondContact O-N 3.47Å; E356-V359 PolarHBondContact O-N 3.11Å; E356-Q360 WeakPolarHBondContact O-CB 3.32Å; E356-Q360 VanDerWaalsContact O-CG 3.26Å; E356-Q360 WeakPolarHBondContact O-CG 3.24Å; E356-Q360 PolarHBondContact O-N 2.87Å
357	A	98.1	Very high	93.8	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-41.8	177	0	0	0	0	0	112.9	V273 Y317 V353 V354 A355 V359 Q360 D361	V273-A357 HydrophobicContact CG1-CB 4.08Å; V273-A357 HydrophobicContact CG2-CB 3.79Å; Y317-A357 HydrophobicContact CE1-CB 3.94Å; Y317-A357 HydrophobicContact CE2-CB 4.21Å; V353-A357 PolarHBondContact O-N 3.18Å; V353-A357 VanDerWaalsContact O-N 3.1Å; V354-A357 WeakPolarHBondContact O-CB 3.42Å; V354-A357 PolarHBondContact O-N 2.91Å; V354-A357 VanDerWaalsContact O-N 3.15Å; A355-A357 VanDerWaalsContact C-N 3.29Å; A355-A357 PolarHBondContact O-N 2.94Å; A357-V359 PolarHBondContact O-N 2.93Å; A357-Q360 PolarHBondContact O-N 3.31Å; A357-D361 PolarHBondContact O-N 3.49Å
358	V	97.3	Very high	92.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-46.4	174.7	175.4	0	0	0	0	111.2	F109 L150 K240 A241 Y317 V354 A355 D361 S362	F109-V358 HydrophobicContact CD2-CG2 4.17Å; F109-V358 HydrophobicContact CE2-CG2 4.16Å; L150-V358 HydrophobicContact CD2-CB 4.32Å; L150-V358 HydrophobicContact CD2-CG1 3.6Å; K240-V358 HydrophobicContact CB-CG1 3.66Å; K240-V358 HydrophobicContact CB-CG2 4.41Å; K240-V358 HydrophobicContact CG-CG1 4.32Å; A241-V358 HydrophobicContact CB-CG2 3.73Å; Y317-V358 HydrophobicContact CD2-CG2 3.56Å; Y317-V358 HydrophobicContact CE2-CG2 4.09Å; Y317-V358 HydrophobicContact CG-CG2 4.38Å; V354-V358 WeakPolarHBondContact O-CG2 3.26Å; V354-V358 PolarHBondContact O-N 2.93Å; A355-V358 PolarHBondContact O-N 3.23Å; V358-D361 PolarHBondContact O-N 2.78Å; V358-S362 PolarHBondContact O-N 2.75Å; V358-S362 VanDerWaalsContact O-N 3.08Å; V358-S362 PolarHBondContact O-OG 2.99Å
359	V	95.7	Very high	91.2	Very high	23 Å²	23	54.4 Å²	54.4	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-43.7	179.3	172.5	0	0	0	0	110.8	F147 L150 A355 E356 A357 D361 S362 L363	F147-V359 HydrophobicContact CD1-CG2 4.08Å; L150-V359 HydrophobicContact CD1-CG2 4.21Å; L150-V359 HydrophobicContact CD2-CG2 4.04Å; L150-V359 HydrophobicContact CG-CG2 4.02Å; A355-V359 WeakPolarHBondContact O-CG2 3.18Å; A355-V359 PolarHBondContact O-N 3.08Å; E356-V359 PolarHBondContact O-N 3.11Å; A357-V359 PolarHBondContact O-N 2.93Å; V359-D361 PolarHBondContact O-N 3.5Å; V359-S362 PolarHBondContact O-N 3.25Å; V359-L363 HydrophobicContact CG1-CD1 4.16Å; V359-L363 WeakPolarHBondContact O-CG 3.3Å; V359-L363 PolarHBondContact O-N 3.44Å; V359-L363 VanDerWaalsContact O-N 3.1Å
360	Q	95.6	Very high	89.6	Confident	109 Å²	109	58.3 Å²	58.3	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-42.4	178.8	-75.6	175.7	8.1	0	0	112.5	E356 A357 L363 K364	E356-Q360 WeakPolarHBondContact O-CB 3.32Å; E356-Q360 VanDerWaalsContact O-CG 3.26Å; E356-Q360 WeakPolarHBondContact O-CG 3.24Å; E356-Q360 PolarHBondContact O-N 2.87Å; A357-Q360 PolarHBondContact O-N 3.31Å; Q360-L363 PolarHBondContact O-N 2.8Å; Q360-K364 WeakPolarHBondContact O-CG 3.48Å; Q360-K364 PolarHBondContact O-N 2.76Å; Q360-K364 VanDerWaalsContact O-N 3.16Å
361	D	93.5	Very high	88.2	Confident	20 Å²	20	68 Å²	68	11%	0.107	31%	0.313	C	S	.	.	H	α-helix	trans	-69.5	-40.2	178.6	-79.1	-6.8	0	0	0	112.2	K316 Y317 A357 V358 V359 L363 K364 E365	K316-D361 WeakPolarHBondContact CD-OD2 3.48Å; K316-D361 WeakPolarHBondContact CE-OD2 3.29Å; K316-D361 IonicContact NZ-OD2 3.94Å; K316-D361 PolarHBondContact NZ-OD2 2.88Å; Y317-D361 PolarHBondContact OH-OD2 3.43Å; A357-D361 PolarHBondContact O-N 3.49Å; V358-D361 PolarHBondContact O-N 2.78Å; V359-D361 PolarHBondContact O-N 3.5Å; D361-L363 PolarHBondContact O-N 3.42Å; D361-K364 WeakPolarHBondContact O-CB 3.25Å; D361-K364 PolarHBondContact O-N 2.92Å; D361-K364 IonicContact OD1-NZ 2.94Å; D361-K364 PolarHBondContact OD1-NZ 3.25Å; D361-E365 PolarHBondContact O-N 3.44Å
362	S	89.3	Confident	86.6	Confident	22 Å²	22	73.5 Å²	73.5	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-37	174.7	-57.7	0	0	0	0	112.4	S107 V358 V359 S366	S107-S362 PolarHBondContact OG-OG 2.95Å; V358-S362 PolarHBondContact O-N 2.75Å; V358-S362 VanDerWaalsContact O-N 3.08Å; V358-S362 PolarHBondContact O-OG 2.99Å; V359-S362 PolarHBondContact O-N 3.25Å; S362-S366 PolarHBondContact O-N 3.48Å; S362-S366 VanDerWaalsContact O-N 3.15Å; S362-S366 PolarHBondContact O-OG 2.86Å
363	L	88.8	Confident	84.8	Confident	99 Å²	99	79.1 Å²	79.1	52%	0.518	38%	0.383	S	S	.	.	H	α-helix	trans	-70.8	-36.3	176.1	-70.1	171.7	0	0	0	112.4	V359 Q360 D361 K367	V359-L363 HydrophobicContact CG1-CD1 4.16Å; V359-L363 WeakPolarHBondContact O-CG 3.3Å; V359-L363 PolarHBondContact O-N 3.44Å; V359-L363 VanDerWaalsContact O-N 3.1Å; Q360-L363 PolarHBondContact O-N 2.8Å; D361-L363 PolarHBondContact O-N 3.42Å; L363-K367 WeakPolarHBondContact O-CB 3.46Å; L363-K367 WeakPolarHBondContact O-CG 3.29Å; L363-K367 PolarHBondContact O-N 3.45Å
364	K	88.8	Confident	84.1	Confident	123 Å²	123	82.5 Å²	82.5	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-44.9	176.2	-69.5	171.4	-163.5	156.7	0	111.1	Q360 D361 S366 K367 W368	Q360-K364 WeakPolarHBondContact O-CG 3.48Å; Q360-K364 PolarHBondContact O-N 2.76Å; Q360-K364 VanDerWaalsContact O-N 3.16Å; D361-K364 WeakPolarHBondContact O-CB 3.25Å; D361-K364 PolarHBondContact O-N 2.92Å; D361-K364 IonicContact OD1-NZ 2.94Å; D361-K364 PolarHBondContact OD1-NZ 3.25Å; K364-S366 PolarHBondContact O-N 2.83Å; K364-K367 PolarHBondContact O-N 3.43Å; K364-W368 WeakPolarHBondContact O-CB 3.23Å; K364-W368 PolarHBondContact O-N 2.78Å
365	E	83	Confident	83.3	Confident	105 Å²	105	86.8 Å²	86.8	49%	0.491	42%	0.419	S	S	.	.	H	α-helix	trans	-57.4	-50.1	175.8	-71.8	177.3	-176.9	0	0	110.5	D361 K367 W368 F369	D361-E365 PolarHBondContact O-N 3.44Å; E365-K367 VanDerWaalsContact C-N 3.33Å; E365-K367 PolarHBondContact O-N 3.4Å; E365-W368 PolarHBondContact O-N 3Å; E365-W368 VanDerWaalsContact O-N 3.09Å; E365-F369 WeakPolarHBondContact O-CD2 3.45Å; E365-F369 PolarHBondContact O-N 3.42Å
366	S	79.2	Confident	82.5	Confident	65 Å²	65	91.7 Å²	91.7	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-59	-41.9	179	-58.5	0	0	0	0	112.8	S362 K364 W368 H370	S362-S366 PolarHBondContact O-N 3.48Å; S362-S366 VanDerWaalsContact O-N 3.15Å; S362-S366 PolarHBondContact O-OG 2.86Å; K364-S366 PolarHBondContact O-N 2.83Å; S366-W368 VanDerWaalsContact C-N 3.34Å; S366-H370 PolarHBondContact O-CD2 3.04Å; S366-H370 VanDerWaalsContact O-CD2 3.26Å; S366-H370 PolarHBondContact O-N 2.85Å
367	K	75.7	Confident	81.5	Confident	138 Å²	138	94 Å²	94	60%	0.6	45%	0.454	S	S	*	.	H	α-helix	trans	-68.1	-32.3	176.9	-77.9	-179.9	179.2	-178.7	0	112.9	L363 K364 E365 R371	L363-K367 WeakPolarHBondContact O-CB 3.46Å; L363-K367 WeakPolarHBondContact O-CG 3.29Å; L363-K367 PolarHBondContact O-N 3.45Å; K364-K367 PolarHBondContact O-N 3.43Å; E365-K367 VanDerWaalsContact C-N 3.33Å; E365-K367 PolarHBondContact O-N 3.4Å; K367-R371 WeakPolarHBondContact O-CG 3.44Å; K367-R371 PolarHBondContact O-N 3.45Å
368	W	72.9	Confident	80.5	Confident	155 Å²	155	99.4 Å²	99.4	59%	0.587	48%	0.479	S	S	*	.	H	α-helix	trans	-71.2	-44.7	178.6	-172.6	79.4	0	0	0	111.1	K364 E365 S366 H370 R371 L372	K364-W368 WeakPolarHBondContact O-CB 3.23Å; K364-W368 PolarHBondContact O-N 2.78Å; E365-W368 PolarHBondContact O-N 3Å; E365-W368 VanDerWaalsContact O-N 3.09Å; S366-W368 VanDerWaalsContact C-N 3.34Å; W368-H370 VanDerWaalsContact C-N 3.31Å; W368-H370 PolarHBondContact O-N 3.47Å; W368-R371 PolarHBondContact O-N 2.8Å; W368-L372 HydrophobicContact CD2-CD1 3.71Å; W368-L372 VanDerWaalsContact CE2-CD1 3.5Å; W368-L372 HydrophobicContact CE3-CD1 3.68Å; W368-L372 HydrophobicContact CH2-CD1 3.31Å; W368-L372 HydrophobicContact CZ2-CD1 3.34Å; W368-L372 HydrophobicContact CZ3-CD1 3.47Å; W368-L372 VanDerWaalsContact CZ3-CD1 3.47Å; W368-L372 PolarHBondContact O-N 2.83Å
369	F	68.5	Low	79.4	Confident	131 Å²	131	105.9 Å²	105.9	58%	0.575	51%	0.51	S	S	*	.	H	α-helix	trans	-58	-42.3	174.3	-79.5	-71.9	0	0	0	112.5	E365 R371 L372 S373	E365-F369 WeakPolarHBondContact O-CD2 3.45Å; E365-F369 PolarHBondContact O-N 3.42Å; F369-R371 PolarHBondContact O-N 2.9Å; F369-L372 PolarHBondContact O-N 2.82Å; F369-L372 VanDerWaalsContact O-N 3.15Å; F369-S373 PolarHBondContact O-N 3.49Å; F369-S373 PolarHBondContact O-OG 3.11Å
370	H	64.5	Low	78.2	Confident	147 Å²	147	111.9 Å²	111.9	68%	0.681	54%	0.537	S	S	*	.	H	α-helix	trans	-66.1	-18.5	176.7	-82.5	-53.5	0	0	0	115.2	S366 W368	S366-H370 PolarHBondContact O-CD2 3.04Å; S366-H370 VanDerWaalsContact O-CD2 3.26Å; S366-H370 PolarHBondContact O-N 2.85Å; W368-H370 VanDerWaalsContact C-N 3.31Å; W368-H370 PolarHBondContact O-N 3.47Å
371	R	68.7	Low	76.9	Confident	204 Å²	204	112.1 Å²	112.1	77%	0.77	54%	0.539	S	S	*	.	H	α-helix	trans	-87.8	-18.1	174.5	-70.6	-175.8	-150	-158.5	4.9	113.1	K367 W368 F369	K367-R371 WeakPolarHBondContact O-CG 3.44Å; K367-R371 PolarHBondContact O-N 3.45Å; W368-R371 PolarHBondContact O-N 2.8Å; F369-R371 PolarHBondContact O-N 2.9Å
372	L	65.4	Low	75.5	Confident	114 Å²	114	119.8 Å²	119.8	60%	0.597	58%	0.575	S	S	*	*	H	α-helix	trans	-99.7	-24.4	-178.3	-69.5	177.6	0	0	0	113.2	W368 F369	W368-L372 HydrophobicContact CD2-CD1 3.71Å; W368-L372 VanDerWaalsContact CE2-CD1 3.5Å; W368-L372 HydrophobicContact CE3-CD1 3.68Å; W368-L372 HydrophobicContact CH2-CD1 3.31Å; W368-L372 HydrophobicContact CZ2-CD1 3.34Å; W368-L372 HydrophobicContact CZ3-CD1 3.47Å; W368-L372 VanDerWaalsContact CZ3-CD1 3.47Å; W368-L372 PolarHBondContact O-N 2.83Å; F369-L372 PolarHBondContact O-N 2.82Å; F369-L372 VanDerWaalsContact O-N 3.15Å
373	S	60.9	Low	74.2	Confident	134 Å²	134	128.6 Å²	128.6	94%	0.937	61%	0.613	S	S	*	*			trans	-76.7	0	165.3	65.4	0	0	0	0	110.8	F369	F369-S373 PolarHBondContact O-N 3.49Å; F369-S373 PolarHBondContact O-OG 3.11Å

Retrieved 373 of 373 residues in 173.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).