A0A077YV96_TRITR Loading...

Alpha-galactosidase

AlphaFold DB , UniProt , Accession A0A077YV96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 526 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	35.7	Very low	243 Å²	243	157.7 Å²	157.7	100%	1.197	86%	0.856	S	S	*	*				0	135.6	0	-71.1	-173.4	-176.7	0	0	108.6
2	A	38.7	Very low	35.6	Very low	90 Å²	90	158.6 Å²	158.6	74%	0.744	86%	0.858	S	S	*	*			trans	49.2	113.7	162.3	0	0	0	0	0	117.9
3	S	29.4	Very low	35.2	Very low	101 Å²	101	162.3 Å²	162.3	71%	0.706	86%	0.861	S	S	*	*				56.9	129.3	56	90.8	0	0	0	0	115.1
4	R	34.4	Very low	35	Very low	230 Å²	230	163.6 Å²	163.6	87%	0.868	86%	0.859	S	S	*	*			trans	95.6	133.4	170.5	-57.4	-178.9	167.6	-179	-2.6	113
5	E	39.2	Very low	34.9	Very low	184 Å²	184	160.8 Å²	160.8	86%	0.86	86%	0.855	S	S	*	*			cis	-146.6	136	29.4	-72.4	179.4	149.2	0	0	112.5
6	G	33.9	Very low	34.6	Very low	79 Å²	79	163.5 Å²	163.5	81%	0.814	86%	0.857	S	S	*	*			trans	-81.5	109.7	167.9	0	0	0	0	0	111	K8	G6-K8 PolarHBondContact O-N 3.18Å
7	G	36.2	Very low	34.5	Very low	74 Å²	74	166 Å²	166	76%	0.763	86%	0.859	S	S	*	*			trans	-75.3	103.6	170.2	0	0	0	0	0	111.5	K9	G7-K9 PolarHBondContact O-N 3.45Å
8	K	35.8	Very low	34.4	Very low	206 Å²	206	161.8 Å²	161.8	90%	0.896	85%	0.853	S	S	*	*			trans	-62.1	100.3	168.9	-74.7	177.9	175.4	176.8	0	110.2	G6 K10	G6-K8 PolarHBondContact O-N 3.18Å; K8-K10 PolarHBondContact O-N 3.01Å
9	K	38.4	Very low	34.6	Very low	206 Å²	206	157.9 Å²	157.9	90%	0.896	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-68.5	116.1	165.9	-75.6	-177.1	177.3	178.1	0	108.9	G7	G7-K9 PolarHBondContact O-N 3.45Å
10	K	34.8	Very low	34.9	Very low	197 Å²	197	160 Å²	160	86%	0.857	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-60.7	144.8	173.5	-80.5	177.4	175.1	175.1	0	110.3	K8 L12	K8-K10 PolarHBondContact O-N 3.01Å; K10-L12 PolarHBondContact O-N 2.82Å
11	P	36.2	Very low	35.1	Very low	125 Å²	125	161.1 Å²	161.1	81%	0.812	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-69.4	127.3	-176.4	-9.2	24.5	0	0	0	110.6	K13	P11-K13 PolarHBondContact O-N 3Å
12	L	34.8	Very low	35.9	Very low	168 Å²	168	154 Å²	154	88%	0.88	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.4	167.5	-81.5	150.6	0	0	0	108.7	K10 Q14	K10-L12 PolarHBondContact O-N 2.82Å; L12-Q14 PolarHBondContact O-N 2.85Å; L12-Q14 VanDerWaalsContact O-N 3.16Å
13	K	31.3	Very low	37.2	Very low	207 Å²	207	154.4 Å²	154.4	90%	0.9	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-50.5	120.6	170.7	-87.7	178.5	171.3	174.9	0	108.6	P11	P11-K13 PolarHBondContact O-N 3Å
14	Q	32.3	Very low	39.3	Very low	180 Å²	180	157.7 Å²	157.7	84%	0.841	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-55.6	133.6	170.9	-72.3	179.4	-13	0	0	109.1	L12 K16	L12-Q14 PolarHBondContact O-N 2.85Å; L12-Q14 VanDerWaalsContact O-N 3.16Å; Q14-K16 PolarHBondContact O-N 3.19Å
15	P	32.4	Very low	41	Very low	122 Å²	122	154.1 Å²	154.1	79%	0.792	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63	131.5	179.5	25.6	-31.2	0	0	0	108.8	K17	P15-K17 PolarHBondContact O-N 2.94Å; P15-K17 VanDerWaalsContact O-N 3.14Å
16	K	31.3	Very low	42.6	Very low	204 Å²	204	149.8 Å²	149.8	89%	0.887	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-48.8	123.5	169.8	-77.6	179.7	173.1	-179.5	0	107.6	Q14 A18	Q14-K16 PolarHBondContact O-N 3.19Å; K16-A18 PolarHBondContact O-N 2.97Å
17	K	32.8	Very low	44.7	Very low	206 Å²	206	149.9 Å²	149.9	90%	0.896	77%	0.77	S	S	*	*			trans	-43.8	109.1	170.4	-87.8	178.9	172	177.4	0	107.7	P15 A19	P15-K17 PolarHBondContact O-N 2.94Å; P15-K17 VanDerWaalsContact O-N 3.14Å; K17-A19 PolarHBondContact O-N 3.5Å; K17-A19 VanDerWaalsContact O-N 3.08Å
18	A	32.6	Very low	46.9	Very low	91 Å²	91	149.2 Å²	149.2	75%	0.752	75%	0.747	S	S	*	*			trans	-56.8	117.2	166.2	0	0	0	0	0	105.8	K16 K20	K16-A18 PolarHBondContact O-N 2.97Å; A18-K20 PolarHBondContact O-N 3.33Å
19	A	37.5	Very low	49	Very low	87 Å²	87	145.3 Å²	145.3	72%	0.719	73%	0.73	S	S	*	*			trans	-56	116.2	168	0	0	0	0	0	105.7	K17 M21	K17-A19 PolarHBondContact O-N 3.5Å; K17-A19 VanDerWaalsContact O-N 3.08Å; A19-M21 VanDerWaalsContact C-N 3.33Å; A19-M21 PolarHBondContact O-N 3.48Å
20	K	41.7	Very low	51	Low	199 Å²	199	141.1 Å²	141.1	87%	0.865	71%	0.712	S	S	*	*			trans	-53.8	104.9	169.9	-88	-178	169.5	-174.9	0	106.1	A18 I22	A18-K20 PolarHBondContact O-N 3.33Å; K20-I22 VanDerWaalsContact C-N 3.29Å; K20-I22 PolarHBondContact O-N 2.87Å
21	M	38.5	Very low	53.4	Low	185 Å²	185	137 Å²	137	91%	0.911	69%	0.691	S	S	*	*			trans	-66.1	101.1	164.1	-67.9	-177	66.3	0	0	104.5	A19 D23	A19-M21 VanDerWaalsContact C-N 3.33Å; A19-M21 PolarHBondContact O-N 3.48Å; M21-D23 PolarHBondContact O-N 3.36Å
22	I	52.3	Low	55.8	Low	92 Å²	92	138.3 Å²	138.3	47%	0.472	68%	0.68	S	S	.	*			trans	-67.5	126.9	169	-61.5	173.7	0	0	0	104.8	K20 D26 V27	K20-I22 VanDerWaalsContact C-N 3.29Å; K20-I22 PolarHBondContact O-N 2.87Å; I22-D26 HydrophobicContact CG2-CB 3.49Å; I22-D26 VanDerWaalsContact CG2-CB 3.49Å; I22-V27 HydrophobicContact CB-CG2 4.17Å; I22-V27 HydrophobicContact CG2-CG2 3.67Å
23	D	65.3	Low	58	Low	100 Å²	100	134.6 Å²	134.6	54%	0.535	66%	0.658	S	S	.	*			trans	-57.6	145.8	178.4	-161.2	-18.5	0	0	0	110.1	M21 E25 D26 V27	M21-D23 PolarHBondContact O-N 3.36Å; D23-E25 PolarHBondContact O-N 2.84Å; D23-D26 WeakPolarHBondContact O-CB 3.44Å; D23-D26 PolarHBondContact O-N 3.47Å; D23-V27 PolarHBondContact O-N 2.97Å
24	E	74.7	Confident	60.5	Low	170 Å²	170	130.8 Å²	130.8	79%	0.794	65%	0.645	S	S	*	*	H	α-helix	trans	-58.4	-31.8	-178.6	-72.3	-176.6	170.8	0	0	111.4	V27 E28	E24-V27 PolarHBondContact O-N 3.37Å; E24-E28 PolarHBondContact O-N 2.81Å
25	E	69	Low	63.1	Low	154 Å²	154	126.8 Å²	126.8	72%	0.72	63%	0.626	S	S	*	*	H	α-helix	trans	-65.3	-40.6	175.1	-65.7	-169.2	169.5	0	0	112.8	D23 V27 E28 F29	D23-E25 PolarHBondContact O-N 2.84Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 2.84Å; E25-E28 PolarHBondContact O-N 3.09Å; E25-F29 WeakPolarHBondContact O-CB 3.41Å; E25-F29 PolarHBondContact O-N 3.37Å
26	D	73.4	Confident	65.4	Low	94 Å²	94	127.6 Å²	127.6	50%	0.503	62%	0.62	S	S	.	*	H	α-helix	trans	-67.5	-35.3	177.3	-87	-16.8	0	0	0	111.7	I22 D23 K30	I22-D26 HydrophobicContact CG2-CB 3.49Å; I22-D26 VanDerWaalsContact CG2-CB 3.49Å; D23-D26 WeakPolarHBondContact O-CB 3.44Å; D23-D26 PolarHBondContact O-N 3.47Å; D26-K30 WeakPolarHBondContact O-CB 3.39Å; D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 3.48Å; D26-K30 VanDerWaalsContact O-N 3.12Å
27	V	77.9	Confident	67.7	Low	80 Å²	80	125.1 Å²	125.1	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-67.8	-46.2	175.7	177.8	0	0	0	0	110.4	I22 D23 E24 E25 K30 R31	I22-V27 HydrophobicContact CB-CG2 4.17Å; I22-V27 HydrophobicContact CG2-CG2 3.67Å; D23-V27 PolarHBondContact O-N 2.97Å; E24-V27 PolarHBondContact O-N 3.37Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 2.84Å; V27-K30 PolarHBondContact O-N 3.36Å; V27-R31 WeakPolarHBondContact O-CB 3.34Å; V27-R31 PolarHBondContact O-N 3.43Å
28	E	83	Confident	70.1	Confident	61 Å²	61	121.7 Å²	121.7	29%	0.285	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-40	179	-179.3	59	-164	0	0	111.8	E24 E25 R31 R32	E24-E28 PolarHBondContact O-N 2.81Å; E25-E28 PolarHBondContact O-N 3.09Å; E28-R31 WeakPolarHBondContact O-CB 3.47Å; E28-R31 PolarHBondContact O-N 2.84Å; E28-R31 IonicContact OE1-CZ 2.64Å; E28-R31 IonicContact OE1-NE 3.4Å; E28-R31 IonicContact OE1-NH2 2.77Å; E28-R31 PolarHBondContact OE1-NH2 3.4Å; E28-R31 IonicContact OE2-CZ 2.66Å; E28-R31 IonicContact OE2-NE 2.65Å; E28-R31 PolarHBondContact OE2-NE 2.84Å; E28-R31 IonicContact OE2-NH2 3.53Å; E28-R31 PolarHBondContact OE2-NH2 3.17Å; E28-R32 WeakPolarHBondContact O-CG 3.41Å; E28-R32 PolarHBondContact O-N 3.48Å; E28-R32 IonicContact OE1-CZ 3.73Å; E28-R32 IonicContact OE1-NE 3.31Å; E28-R32 PolarHBondContact OE1-NE 2.95Å; E28-R32 IonicContact OE1-NH2 3.2Å
29	F	78.4	Confident	72.4	Confident	123 Å²	123	120.1 Å²	120.1	54%	0.539	58%	0.581	S	S	.	*	H	α-helix	trans	-61	-46.9	175.1	179.9	-105.5	0	0	0	111.9	E25 R31 R32 Q33	E25-F29 WeakPolarHBondContact O-CB 3.41Å; E25-F29 PolarHBondContact O-N 3.37Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 3.21Å; F29-R32 PolarHBondContact O-N 3Å; F29-Q33 HydrophobicContact CE1-CG 4.27Å; F29-Q33 HydrophobicContact CZ-CG 4.26Å; F29-Q33 VanDerWaalsContact CZ-NE2 3.27Å; F29-Q33 PolarHBondContact O-N 3.36Å; F29-Q33 VanDerWaalsContact O-N 3.1Å
30	K	80.3	Confident	74.3	Confident	119 Å²	119	122.4 Å²	122.4	52%	0.517	58%	0.581	S	S	.	*	H	α-helix	trans	-63.5	-35.7	175.4	-77	-177	179.1	176.7	0	112.4	D26 V27 Q33 M34	D26-K30 WeakPolarHBondContact O-CB 3.39Å; D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 3.48Å; D26-K30 VanDerWaalsContact O-N 3.12Å; V27-K30 PolarHBondContact O-N 3.36Å; K30-Q33 PolarHBondContact O-N 2.89Å; K30-M34 WeakPolarHBondContact O-CG 3.29Å; K30-M34 PolarHBondContact O-N 3.08Å
31	R	86.6	Confident	76	Confident	110 Å²	110	120.7 Å²	120.7	42%	0.415	57%	0.573	S	S	.	*	H	α-helix	trans	-61.9	-47	175.9	-167.9	178.9	71.3	103.3	-5	111.2	V27 E28 F29 Q33 M34 E35	V27-R31 WeakPolarHBondContact O-CB 3.34Å; V27-R31 PolarHBondContact O-N 3.43Å; E28-R31 WeakPolarHBondContact O-CB 3.47Å; E28-R31 PolarHBondContact O-N 2.84Å; E28-R31 IonicContact OE1-CZ 2.64Å; E28-R31 IonicContact OE1-NE 3.4Å; E28-R31 IonicContact OE1-NH2 2.77Å; E28-R31 PolarHBondContact OE1-NH2 3.4Å; E28-R31 IonicContact OE2-CZ 2.66Å; E28-R31 IonicContact OE2-NE 2.65Å; E28-R31 PolarHBondContact OE2-NE 2.84Å; E28-R31 IonicContact OE2-NH2 3.53Å; E28-R31 PolarHBondContact OE2-NH2 3.17Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 3.21Å; R31-Q33 PolarHBondContact O-N 3.02Å; R31-M34 PolarHBondContact O-N 3.27Å; R31-E35 IonicContact CZ-OE1 3.96Å; R31-E35 IonicContact NE-OE1 3.36Å; R31-E35 IonicContact NH1-OE1 3.67Å; R31-E35 PolarHBondContact NH1-OE1 2.9Å; R31-E35 WeakPolarHBondContact O-CG 3.32Å; R31-E35 PolarHBondContact O-N 2.92Å
32	R	85.2	Confident	77.9	Confident	152 Å²	152	116.4 Å²	116.4	57%	0.574	55%	0.551	S	S	*	*	H	α-helix	trans	-60.2	-44.2	176.4	-70.1	179.8	-175.1	-172.8	1.2	112.5	E28 F29 M34 E35 E36	E28-R32 WeakPolarHBondContact O-CG 3.41Å; E28-R32 PolarHBondContact O-N 3.48Å; E28-R32 IonicContact OE1-CZ 3.73Å; E28-R32 IonicContact OE1-NE 3.31Å; E28-R32 PolarHBondContact OE1-NE 2.95Å; E28-R32 IonicContact OE1-NH2 3.2Å; F29-R32 PolarHBondContact O-N 3Å; R32-M34 VanDerWaalsContact C-N 3.32Å; R32-M34 PolarHBondContact O-N 3.28Å; R32-E35 PolarHBondContact O-N 3.26Å; R32-E36 PolarHBondContact O-N 2.92Å
33	Q	81.8	Confident	78.6	Confident	90 Å²	90	114.9 Å²	114.9	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-62.9	-36.7	175.9	-71.5	-165.6	-25.9	0	0	113.1	F29 K30 R31 K37	F29-Q33 HydrophobicContact CE1-CG 4.27Å; F29-Q33 HydrophobicContact CZ-CG 4.26Å; F29-Q33 VanDerWaalsContact CZ-NE2 3.27Å; F29-Q33 PolarHBondContact O-N 3.36Å; F29-Q33 VanDerWaalsContact O-N 3.1Å; K30-Q33 PolarHBondContact O-N 2.89Å; R31-Q33 PolarHBondContact O-N 3.02Å; Q33-K37 WeakPolarHBondContact O-CB 3.16Å; Q33-K37 PolarHBondContact O-N 3.08Å
34	M	84.6	Confident	78.8	Confident	127 Å²	127	113 Å²	113	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-70	-39.5	175.5	-73.8	-172.1	-67.2	0	0	112	K30 R31 R32 K37 K38	K30-M34 WeakPolarHBondContact O-CG 3.29Å; K30-M34 PolarHBondContact O-N 3.08Å; R31-M34 PolarHBondContact O-N 3.27Å; R32-M34 VanDerWaalsContact C-N 3.32Å; R32-M34 PolarHBondContact O-N 3.28Å; M34-K37 PolarHBondContact O-N 3.5Å; M34-K38 WeakPolarHBondContact O-CB 3.45Å; M34-K38 PolarHBondContact O-N 3.16Å
35	E	85.4	Confident	78.4	Confident	96 Å²	96	107.3 Å²	107.3	45%	0.449	53%	0.533	S	S	.	.	H	α-helix	trans	-64.3	-44.6	175.6	-74.4	175.6	-177.3	0	0	111.6	R31 R32 K38 A39	R31-E35 IonicContact CZ-OE1 3.96Å; R31-E35 IonicContact NE-OE1 3.36Å; R31-E35 IonicContact NH1-OE1 3.67Å; R31-E35 PolarHBondContact NH1-OE1 2.9Å; R31-E35 WeakPolarHBondContact O-CG 3.32Å; R31-E35 PolarHBondContact O-N 2.92Å; R32-E35 PolarHBondContact O-N 3.26Å; E35-K38 PolarHBondContact O-N 3.16Å; E35-A39 WeakPolarHBondContact O-CB 3.5Å; E35-A39 PolarHBondContact O-N 3.06Å
36	E	81.9	Confident	78.2	Confident	140 Å²	140	107.1 Å²	107.1	65%	0.654	53%	0.529	S	S	*	.	H	α-helix	trans	-62.3	-45.7	174	-77.1	-178	162.7	0	0	112	R32 K38 A39 L40	R32-E36 PolarHBondContact O-N 2.92Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.14Å; E36-A39 PolarHBondContact O-N 3.28Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 PolarHBondContact O-N 3.06Å
37	K	79	Confident	77.4	Confident	152 Å²	152	106.1 Å²	106.1	66%	0.661	53%	0.534	S	S	*	.	H	α-helix	trans	-60.9	-37.8	175.1	-88	-179	175.9	172.8	0	112.3	Q33 M34 K41	Q33-K37 WeakPolarHBondContact O-CB 3.16Å; Q33-K37 PolarHBondContact O-N 3.08Å; M34-K37 PolarHBondContact O-N 3.5Å; K37-K41 WeakPolarHBondContact O-CB 3.46Å; K37-K41 WeakPolarHBondContact O-CG 3.18Å; K37-K41 PolarHBondContact O-N 3.33Å
38	K	83.2	Confident	76.4	Confident	133 Å²	133	106.4 Å²	106.4	58%	0.578	54%	0.544	S	S	*	.	H	α-helix	trans	-67.7	-46.2	176.4	-171.3	-175.9	177.5	-166	0	110.7	M34 E35 E36 L40 K41 E42	M34-K38 WeakPolarHBondContact O-CB 3.45Å; M34-K38 PolarHBondContact O-N 3.16Å; E35-K38 PolarHBondContact O-N 3.16Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.14Å; K38-L40 VanDerWaalsContact C-N 3.3Å; K38-L40 PolarHBondContact O-N 3.31Å; K38-K41 PolarHBondContact O-N 3.43Å; K38-E42 WeakPolarHBondContact CE-OE1 3.27Å; K38-E42 IonicContact NZ-OE1 3.57Å; K38-E42 WeakPolarHBondContact O-CB 3.43Å; K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 3.48Å
39	A	80.4	Confident	74.5	Confident	58 Å²	58	111.4 Å²	111.4	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-59.6	-41.2	176	0	0	0	0	0	111.7	E35 E36 E42 A43	E35-A39 WeakPolarHBondContact O-CB 3.5Å; E35-A39 PolarHBondContact O-N 3.06Å; E36-A39 PolarHBondContact O-N 3.28Å; A39-E42 PolarHBondContact O-N 2.86Å; A39-A43 VanDerWaalsContact O-CB 3.32Å; A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 3.14Å
40	L	77.1	Confident	72.6	Confident	136 Å²	136	116.2 Å²	116.2	71%	0.712	58%	0.582	S	S	*	*	H	α-helix	trans	-65.6	-41.7	176.8	-144.2	99.4	0	0	0	111.9	E36 K38 A43 A44	E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 PolarHBondContact O-N 3.06Å; K38-L40 VanDerWaalsContact C-N 3.3Å; K38-L40 PolarHBondContact O-N 3.31Å; L40-A43 PolarHBondContact O-N 3.36Å; L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 3.5Å
41	K	78.3	Confident	70.5	Confident	162 Å²	162	113 Å²	113	70%	0.704	58%	0.583	S	S	*	*	H	α-helix	trans	-67.2	-40.1	175.7	-80.2	-174.9	176.5	-174.7	0	112.5	K37 K38 A44 A45	K37-K41 WeakPolarHBondContact O-CB 3.46Å; K37-K41 WeakPolarHBondContact O-CG 3.18Å; K37-K41 PolarHBondContact O-N 3.33Å; K38-K41 PolarHBondContact O-N 3.43Å; K41-A44 PolarHBondContact O-N 3.11Å; K41-A45 WeakPolarHBondContact O-CB 3.19Å; K41-A45 PolarHBondContact O-N 3.12Å
42	E	77.8	Confident	68.2	Low	96 Å²	96	114.3 Å²	114.3	45%	0.449	61%	0.606	S	S	.	*	H	α-helix	trans	-66.9	-39.3	175.6	-75.7	-179.7	-174.4	0	0	111.7	K38 A39 A45 K46	K38-E42 WeakPolarHBondContact CE-OE1 3.27Å; K38-E42 IonicContact NZ-OE1 3.57Å; K38-E42 WeakPolarHBondContact O-CB 3.43Å; K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 3.48Å; A39-E42 PolarHBondContact O-N 2.86Å; E42-A45 PolarHBondContact O-N 3.41Å; E42-K46 WeakPolarHBondContact O-CB 3.33Å; E42-K46 WeakPolarHBondContact O-CG 3.24Å; E42-K46 PolarHBondContact O-N 3.11Å
43	A	66.8	Low	65.7	Low	60 Å²	60	115.4 Å²	115.4	50%	0.496	62%	0.623	S	S	.	*	H	α-helix	trans	-61.8	-44	172.7	0	0	0	0	0	111.3	A39 L40 K46 A47	A39-A43 VanDerWaalsContact O-CB 3.32Å; A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 3.14Å; L40-A43 PolarHBondContact O-N 3.36Å; A43-K46 PolarHBondContact O-N 3.46Å; A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 3.06Å
44	A	69.2	Low	63.4	Low	60 Å²	60	114.1 Å²	114.1	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-64.5	-40.7	175.2	0	0	0	0	0	112.5	L40 K41 A47 A48	L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 3.5Å; K41-A44 PolarHBondContact O-N 3.11Å; A44-A47 PolarHBondContact O-N 3.33Å; A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 2.81Å
45	A	66.3	Low	60.7	Low	51 Å²	51	115.3 Å²	115.3	42%	0.421	65%	0.648	S	S	.	*	H	α-helix	trans	-68	-40.3	177.6	0	0	0	0	0	112.3	K41 E42 A47 A48 Q49	K41-A45 WeakPolarHBondContact O-CB 3.19Å; K41-A45 PolarHBondContact O-N 3.12Å; E42-A45 PolarHBondContact O-N 3.41Å; A45-A47 VanDerWaalsContact C-N 3.31Å; A45-A47 PolarHBondContact O-N 3.37Å; A45-A48 PolarHBondContact O-N 3.23Å; A45-Q49 PolarHBondContact O-N 2.63Å
46	K	65.5	Low	58	Low	150 Å²	150	114 Å²	114	65%	0.652	66%	0.66	S	S	*	*	H	α-helix	trans	-63.5	-37.9	172.6	-78.4	179.1	179.8	174.8	0	111.8	E42 A43 A48	E42-K46 WeakPolarHBondContact O-CB 3.33Å; E42-K46 WeakPolarHBondContact O-CG 3.24Å; E42-K46 PolarHBondContact O-N 3.11Å; A43-K46 PolarHBondContact O-N 3.46Å; K46-A48 VanDerWaalsContact C-N 3.33Å
47	A	56.8	Low	55.6	Low	73 Å²	73	116.3 Å²	116.3	60%	0.603	67%	0.671	S	S	*	*	H	α-helix	trans	-65.7	-36.6	173.6	0	0	0	0	0	111.8	A43 A44 A45	A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 3.06Å; A44-A47 PolarHBondContact O-N 3.33Å; A45-A47 VanDerWaalsContact C-N 3.31Å; A45-A47 PolarHBondContact O-N 3.37Å
48	A	57.6	Low	53.6	Low	85 Å²	85	114.6 Å²	114.6	70%	0.702	67%	0.673	S	S	*	*	H	α-helix	trans	-76.4	-24.1	179.6	0	0	0	0	0	114.6	A44 A45 K46	A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 2.81Å; A45-A48 PolarHBondContact O-N 3.23Å; K46-A48 VanDerWaalsContact C-N 3.33Å
49	Q	42.1	Very low	51.8	Low	167 Å²	167	117.3 Å²	117.3	78%	0.78	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-4.5	-179.5	-82.6	-172.5	-4.6	0	0	115	A45 G51	A45-Q49 PolarHBondContact O-N 2.63Å; Q49-G51 PolarHBondContact O-N 2.7Å
50	R	38.9	Very low	50.1	Low	223 Å²	223	117.9 Å²	117.9	84%	0.842	70%	0.695	S	S	*	*			trans	-75	78.4	171	-73.2	-171.5	175.1	-174.8	-1.6	109.6
51	G	35.2	Very low	48.8	Very low	52 Å²	52	117.2 Å²	117.2	54%	0.536	69%	0.692	S	S	.	*			trans	-65.9	158	167	0	0	0	0	0	111.5	Q49 L53	Q49-G51 PolarHBondContact O-N 2.7Å; G51-L53 PolarHBondContact O-N 3.39Å
52	P	38.7	Very low	47.3	Very low	138 Å²	138	116.4 Å²	116.4	90%	0.896	70%	0.695	S	S	*	*			trans	-81.1	102.1	-172.9	31.5	-30.5	0	0	0	109.9
53	L	34	Very low	46.2	Very low	175 Å²	175	115.5 Å²	115.5	92%	0.916	70%	0.699	S	S	*	*			trans	-102.2	110.8	169.7	-90.4	162.1	0	0	0	110	G51	G51-L53 PolarHBondContact O-N 3.39Å
54	G	32	Very low	45.5	Very low	62 Å²	62	118.3 Å²	118.3	64%	0.639	70%	0.704	S	S	*	*				70.5	95.5	125.7	0	0	0	0	0	117.4
55	T	27.9	Very low	44.7	Very low	153 Å²	153	119.1 Å²	119.1	94%	0.939	70%	0.704	S	S	*	*			trans	3.9	118.5	135.8	55.3	0	0	0	0	117.3
56	G	30.3	Very low	44	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	71%	0.712	S	S	*	*			trans	136.1	111.9	156.6	0	0	0	0	0	113.2
57	E	30.4	Very low	43.5	Very low	188 Å²	188	118.4 Å²	118.4	88%	0.879	70%	0.702	S	S	*	*	S	Bend	trans	90.2	98.2	157	-56.2	-175.8	166.4	0	0	118.5
58	T	37.2	Very low	43.3	Very low	116 Å²	116	120.2 Å²	120.2	71%	0.712	70%	0.701	S	S	*	*			trans	82.9	102.7	149.5	70	0	0	0	0	118.4	A60	T58-A60 PolarHBondContact O-N 3.09Å
59	M	44.8	Very low	42.9	Very low	190 Å²	190	122.3 Å²	122.3	94%	0.936	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	10.1	176	-80.1	-161.3	157.2	0	0	116.6
60	A	45.4	Very low	43.4	Very low	69 Å²	69	120 Å²	120	57%	0.57	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-33.3	-179.3	0	0	0	0	0	112.9	T58	T58-A60 PolarHBondContact O-N 3.09Å
61	D	50	Low	43.9	Very low	123 Å²	123	114.7 Å²	114.7	66%	0.658	68%	0.679	S	S	*	*	H	α-helix	trans	-81.7	-23.9	-172	-90.5	-20.4	0	0	0	114.6	S63 T65	D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 PolarHBondContact O-N 2.98Å; D61-T65 PolarHBondContact O-OG1 3.41Å
62	L	47.4	Very low	44.6	Very low	145 Å²	145	118 Å²	118	76%	0.759	69%	0.689	S	S	*	*	H	α-helix	trans	-74	-25.2	-179.4	-141.7	81.8	0	0	0	112.5	L66	L62-L66 PolarHBondContact O-N 3.36Å
63	S	53.5	Low	45.2	Very low	77 Å²	77	122 Å²	122	54%	0.538	69%	0.686	S	S	.	*	H	α-helix	trans	-73.2	-38.4	-179.6	-161.1	0	0	0	0	111.8	D61 T67	D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 PolarHBondContact O-N 2.98Å; S63-T67 PolarHBondContact O-N 3.14Å; S63-T67 VanDerWaalsContact O-N 3.14Å; S63-T67 PolarHBondContact O-OG1 3.4Å
64	I	53.3	Low	45.6	Very low	118 Å²	118	117.2 Å²	117.2	61%	0.605	67%	0.671	S	S	*	*	H	α-helix	trans	-72.4	-36.8	-175.4	-61.8	172.4	0	0	0	111	L68	I64-L68 PolarHBondContact O-N 3.08Å; I64-L68 VanDerWaalsContact O-N 3.12Å
65	T	51.9	Low	46.3	Very low	78 Å²	78	119.4 Å²	119.4	48%	0.479	68%	0.675	S	S	.	*	H	α-helix	trans	-73.3	-34.7	178.8	19.8	0	0	0	0	112.7	D61 L68 L69	D61-T65 PolarHBondContact O-OG1 3.41Å; T65-L68 PolarHBondContact O-N 3.47Å; T65-L69 PolarHBondContact O-N 3.5Å; T65-L69 VanDerWaalsContact O-N 3.11Å
66	L	51.9	Low	47.1	Very low	113 Å²	113	117.8 Å²	117.8	59%	0.592	67%	0.665	S	S	*	*	H	α-helix	trans	-70.7	-37.8	176	-167.8	66.2	0	0	0	111.8	L62 L69 L70	L62-L66 PolarHBondContact O-N 3.36Å; L66-L69 PolarHBondContact O-N 2.83Å; L66-L70 HydrophobicContact CG-CD1 4.36Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 2.66Å
67	T	54.9	Low	48	Very low	72 Å²	72	118.8 Å²	118.8	44%	0.442	66%	0.661	S	S	.	*	H	α-helix	trans	-65.8	-38.1	174.2	-47.9	0	0	0	0	111.5	S63 L70 I71	S63-T67 PolarHBondContact O-N 3.14Å; S63-T67 VanDerWaalsContact O-N 3.14Å; S63-T67 PolarHBondContact O-OG1 3.4Å; T67-L70 PolarHBondContact O-N 2.83Å; T67-I71 HydrophobicContact CG2-CD1 3.95Å; T67-I71 WeakPolarHBondContact O-CD1 3.23Å; T67-I71 VanDerWaalsContact O-CG1 3.22Å; T67-I71 WeakPolarHBondContact O-CG1 3.48Å; T67-I71 PolarHBondContact O-N 2.9Å
68	L	51.6	Low	49.6	Very low	112 Å²	112	116.7 Å²	116.7	59%	0.586	65%	0.651	S	S	*	*	H	α-helix	trans	-67.8	-36.7	176.9	-140.5	80.4	0	0	0	112.7	I64 T65 L70 I71 V72	I64-L68 PolarHBondContact O-N 3.08Å; I64-L68 VanDerWaalsContact O-N 3.12Å; T65-L68 PolarHBondContact O-N 3.47Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-I71 PolarHBondContact O-N 3.47Å; L68-V72 WeakPolarHBondContact O-CG2 3.24Å; L68-V72 PolarHBondContact O-N 3.16Å
69	L	50.6	Low	51.9	Low	129 Å²	129	117.4 Å²	117.4	68%	0.675	65%	0.651	S	S	*	*	H	α-helix	trans	-69.3	-30.1	174.7	-90.2	153.8	0	0	0	113	T65 L66	T65-L69 PolarHBondContact O-N 3.5Å; T65-L69 VanDerWaalsContact O-N 3.11Å; L66-L69 PolarHBondContact O-N 2.83Å
70	L	51.7	Low	54.1	Low	119 Å²	119	110.4 Å²	110.4	62%	0.623	62%	0.617	S	S	*	*	H	α-helix	trans	-75.6	-35	172.9	-74.6	163.6	0	0	0	112.3	L66 T67 L68 R73 A74	L66-L70 HydrophobicContact CG-CD1 4.36Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 2.66Å; T67-L70 PolarHBondContact O-N 2.83Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L70-R73 PolarHBondContact O-N 3.01Å; L70-A74 PolarHBondContact O-N 3.03Å
71	I	50.4	Low	56.5	Low	111 Å²	111	107.7 Å²	107.7	57%	0.569	59%	0.594	S	S	*	*	H	α-helix	trans	-68.7	-35.8	178.4	-69.2	164.4	0	0	0	111.9	T67 L68 R73	T67-I71 HydrophobicContact CG2-CD1 3.95Å; T67-I71 WeakPolarHBondContact O-CD1 3.23Å; T67-I71 VanDerWaalsContact O-CG1 3.22Å; T67-I71 WeakPolarHBondContact O-CG1 3.48Å; T67-I71 PolarHBondContact O-N 2.9Å; L68-I71 PolarHBondContact O-N 3.47Å; I71-R73 VanDerWaalsContact C-N 3.31Å; I71-R73 PolarHBondContact O-N 3.07Å
72	V	49.4	Very low	58.7	Low	122 Å²	122	102.7 Å²	102.7	74%	0.739	57%	0.569	S	S	*	*	H	α-helix	trans	-77.9	-16.2	179.8	-177.2	0	0	0	0	112.7	L68	L68-V72 WeakPolarHBondContact O-CG2 3.24Å; L68-V72 PolarHBondContact O-N 3.16Å
73	R	49.9	Very low	61.2	Low	222 Å²	222	99 Å²	99	84%	0.838	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	5.6	175.5	-110	-175.3	-175.6	-178.8	1.3	115.2	L70 I71 C75	L70-R73 PolarHBondContact O-N 3.01Å; I71-R73 VanDerWaalsContact C-N 3.31Å; I71-R73 PolarHBondContact O-N 3.07Å; R73-C75 PolarHBondContact O-N 2.97Å
74	A	43.6	Very low	63.3	Low	73 Å²	73	95.3 Å²	95.3	60%	0.603	52%	0.52	S	S	*	.			trans	-68.8	57.6	147.5	0	0	0	0	0	108.8	L70 V76	L70-A74 PolarHBondContact O-N 3.03Å; A74-V76 PolarHBondContact O-N 3.31Å
75	C	46.7	Very low	65.5	Low	108 Å²	108	90.1 Å²	90.1	73%	0.73	49%	0.494	S	S	*	.			trans	-54.9	101.2	148.8	-165.3	0	0	0	0	102.2	R73 S77	R73-C75 PolarHBondContact O-N 2.97Å; C75-S77 PolarHBondContact O-N 3.08Å
76	V	43.8	Very low	67.7	Low	120 Å²	120	86.7 Å²	86.7	73%	0.727	47%	0.472	S	S	*	.			trans	-50.4	105.4	167.9	171.9	0	0	0	0	103	A74 E78	A74-V76 PolarHBondContact O-N 3.31Å; V76-E78 VanDerWaalsContact C-N 3.28Å; V76-E78 PolarHBondContact O-N 3.07Å
77	S	50	Low	69.9	Low	89 Å²	89	81.3 Å²	81.3	62%	0.622	44%	0.444	S	S	*	.			trans	-57.3	106.9	170.8	50.8	0	0	0	0	103.5	C75 N79	C75-S77 PolarHBondContact O-N 3.08Å; S77-N79 PolarHBondContact O-N 2.87Å; S77-N79 VanDerWaalsContact O-N 3.09Å
78	E	63.7	Low	72	Confident	144 Å²	144	77.9 Å²	77.9	67%	0.673	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-54.3	125.5	173	-70.4	-167.1	168.7	0	0	106.1	V76 L80 S82	V76-E78 VanDerWaalsContact C-N 3.28Å; V76-E78 PolarHBondContact O-N 3.07Å; E78-L80 PolarHBondContact O-N 2.98Å; E78-S82 PolarHBondContact OE2-OG 3.18Å
79	N	84.5	Confident	74.3	Confident	132 Å²	132	72.9 Å²	72.9	71%	0.706	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-51.8	139.3	177.5	-68.5	-33.7	0	0	0	108.6	S77 A81 S82	S77-N79 PolarHBondContact O-N 2.87Å; S77-N79 VanDerWaalsContact O-N 3.09Å; N79-A81 PolarHBondContact O-N 3.43Å; N79-S82 WeakPolarHBondContact O-CB 3.26Å; N79-S82 PolarHBondContact O-N 3.37Å
80	L	92.5	Very high	76.5	Confident	42 Å²	42	66.9 Å²	66.9	22%	0.22	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	133.2	179.3	-176.3	60.1	0	0	0	110.4	E78 S82 D240 I241 L242	E78-L80 PolarHBondContact O-N 2.98Å; L80-S82 PolarHBondContact O-N 3.43Å; L80-D240 HydrophobicContact CD1-CB 4.41Å; L80-D240 HydrophobicContact CD2-CB 4.36Å; L80-I241 WeakPolarHBondContact CD2-O 3.4Å; L80-L242 HydrophobicContact CD1-CB 4.24Å
81	A	95.9	Very high	78.7	Confident	12 Å²	12	62.8 Å²	62.8	10%	0.099	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	34.1	-174.2	0	0	0	0	0	113.9	N79 R83 L242 H269 G305 W307	N79-A81 PolarHBondContact O-N 3.43Å; A81-R83 CarbonylContact C-O 3.54Å; A81-R83 PolarHBondContact O-N 2.98Å; A81-R83 VanDerWaalsContact O-N 3.08Å; A81-L242 HydrophobicContact CB-CD1 3.98Å; A81-L242 HydrophobicContact CB-CG 4.48Å; A81-H269 HydrophobicContact CB-CB 4.01Å; A81-G305 VanDerWaalsContact O-CA 3.26Å; A81-G305 WeakPolarHBondContact O-CA 3.45Å; A81-G305 PolarHBondContact O-N 3.12Å; A81-W307 WeakPolarHBondContact O-CZ2 3.49Å; A81-W307 PolarHBondContact O-NE1 3.38Å
82	S	96.6	Very high	81	Confident	19 Å²	19	58 Å²	58	13%	0.133	32%	0.318	C	S	.	.	S	Bend	trans	-55.7	-22.1	170.9	64.4	0	0	0	0	113.4	E78 N79 L80	E78-S82 PolarHBondContact OE2-OG 3.18Å; N79-S82 WeakPolarHBondContact O-CB 3.26Å; N79-S82 PolarHBondContact O-N 3.37Å; L80-S82 PolarHBondContact O-N 3.43Å
83	R	98.1	Very high	83.3	Confident	66 Å²	66	55.8 Å²	55.8	25%	0.249	30%	0.299	C	S	.	.	S	Bend	trans	-129	158.9	169.7	-60.3	-62.3	-177.8	-83.6	-17.4	110.2	A81 W307 Q366 P368	A81-R83 CarbonylContact C-O 3.54Å; A81-R83 PolarHBondContact O-N 2.98Å; A81-R83 VanDerWaalsContact O-N 3.08Å; R83-W307 VanDerWaalsContact CA-CZ2 3.41Å; R83-W307 PolarHBondContact O-NE1 3.18Å; R83-Q366 VanDerWaalsContact CD-O 3.22Å; R83-Q366 WeakPolarHBondContact CD-O 3.34Å; R83-Q366 PolarHBondContact NE-O 2.83Å; R83-P368 VanDerWaalsContact NH2-CB 3.28Å; R83-P368 VanDerWaalsContact NH2-CG 3.34Å
84	P	98.5	Very high	85.5	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	26%	0.261	C	S	.	.			trans	-56.8	130	174	-17	27	0	0	0	109.9	W307 S336 A337 Q366	P84-W307 HydrophobicContact CB-CD2 4.05Å; P84-W307 HydrophobicContact CB-CE3 4.26Å; P84-W307 HydrophobicContact CB-CG 4.28Å; P84-W307 HydrophobicContact CG-CD2 3.82Å; P84-W307 HydrophobicContact CG-CE3 3.62Å; P84-W307 HydrophobicContact CG-CH2 3.99Å; P84-W307 HydrophobicContact CG-CZ2 4.17Å; P84-W307 HydrophobicContact CG-CZ3 3.72Å; P84-W307 VanDerWaalsContact N-CE2 3.31Å; P84-S336 WeakPolarHBondContact CG-O 3.39Å; P84-A337 WeakPolarHBondContact CB-O 3.48Å; P84-Q366 PolarHBondContact O-NE2 2.85Å
85	P	98.6	Very high	88.1	Confident	9 Å²	9	48 Å²	48	6%	0.058	26%	0.258	C	S	.	.			trans	-67.8	144.7	-179.2	27.8	-34.5	0	0	0	111.1	L242 P338 L339 F340	P85-L242 HydrophobicContact CB-CD1 3.71Å; P85-L242 HydrophobicContact CG-CD1 3.8Å; P85-L242 HydrophobicContact CG-CD2 4.45Å; P85-P338 HydrophobicContact CG-CB 4.09Å; P85-P338 HydrophobicContact CG-CG 4.37Å; P85-P338 CarbonylContact O-C 3.51Å; P85-P338 VanDerWaalsContact O-CA 3.22Å; P85-P338 WeakPolarHBondContact O-CA 3.43Å; P85-L339 PolarHBondContact O-N 3.48Å; P85-F340 HydrophobicContact CB-CE2 4.43Å; P85-F340 HydrophobicContact CB-CZ 3.9Å; P85-F340 HydrophobicContact CG-CE2 3.97Å; P85-F340 HydrophobicContact CG-CZ 3.9Å
86	M	98.9	Very high	90.5	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.1	177.1	-51.6	172.9	54.7	0	0	109.8	G129 Y130 I131 H132 L339 I362 Q366	M86-G129 WeakPolarHBondContact CB-O 3.26Å; M86-Y130 HydrophobicContact CB-CD1 3.89Å; M86-Y130 HydrophobicContact CB-CE1 4.26Å; M86-Y130 HydrophobicContact CB-CG 4.34Å; M86-Y130 HydrophobicContact CE-CD1 4.11Å; M86-Y130 HydrophobicContact CE-CD2 3.87Å; M86-Y130 HydrophobicContact CE-CE1 3.86Å; M86-Y130 HydrophobicContact CE-CE2 3.57Å; M86-Y130 HydrophobicContact CE-CG 4.11Å; M86-I131 PolarHBondContact O-N 3.39Å; M86-I131 VanDerWaalsContact O-N 3.15Å; M86-H132 PolarHBondContact O-CD2 3.48Å; M86-H132 PolarHBondContact O-N 2.91Å; M86-H132 VanDerWaalsContact O-N 3.14Å; M86-L339 WeakPolarHBondContact CA-O 3.21Å; M86-L339 HydrophobicContact CB-CB 4.27Å; M86-L339 HydrophobicContact CE-CB 4.48Å; M86-L339 HydrophobicContact CE-CD1 3.95Å; M86-L339 HydrophobicContact CG-CB 3.98Å; M86-L339 HydrophobicContact CG-CD1 4.31Å; M86-L339 HydrophobicContact CG-CG 4.35Å; M86-L339 HydrophobicContact SD-CD1 4.34Å; M86-I362 HydrophobicContact CE-CB 4.45Å; M86-I362 HydrophobicContact CE-CD1 3.99Å; M86-I362 HydrophobicContact CE-CG1 3.9Å; M86-I362 HydrophobicContact CE-CG2 3.74Å; M86-I362 HydrophobicContact SD-CG2 3.87Å; M86-Q366 HydrophobicContact SD-CG 3.81Å
87	G	98.8	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	-152.3	-175.6	0	0	0	0	0	115.1	Y130 H132 L339 F340 M341	G87-Y130 WeakPolarHBondContact O-CD1 3.47Å; G87-H132 CarbonylContact C-O 3.6Å; G87-H132 WeakPolarHBondContact CA-O 3.4Å; G87-L339 PolarHBondContact N-O 3.28Å; G87-F340 CarbonylContact O-C 3.24Å; G87-F340 WeakPolarHBondContact O-CA 3.3Å; G87-M341 PolarHBondContact O-N 3.07Å
88	W	98.9	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.7	-179.2	-174.9	100.1	0	0	0	110.5	P90 F94 F113 M116 L120 H132 L133 N134 M341 N343	W88-P90 HydrophobicContact CH2-CB 3.52Å; W88-P90 HydrophobicContact CH2-CG 4.45Å; W88-P90 HydrophobicContact CZ2-CB 4.46Å; W88-P90 HydrophobicContact CZ3-CB 3.66Å; W88-P90 HydrophobicContact CZ3-CG 4.1Å; W88-F94 AromaticContact CH2-CD2 3.93Å; W88-F94 HydrophobicContact CH2-CD2 3.93Å; W88-F94 AromaticContact CH2-CE2 3.91Å; W88-F94 HydrophobicContact CH2-CE2 3.91Å; W88-F94 AromaticContact CZ2-CD2 3.84Å; W88-F94 HydrophobicContact CZ2-CD2 3.84Å; W88-F94 AromaticContact CZ2-CE2 3.46Å; W88-F94 HydrophobicContact CZ2-CE2 3.46Å; W88-F94 VanDerWaalsContact CZ2-CE2 3.46Å; W88-F94 HydrophobicContact CZ2-CZ 4.42Å; W88-F113 HydrophobicContact CZ3-CD1 4.22Å; W88-F113 AromaticContact CZ3-CE1 3.9Å; W88-F113 HydrophobicContact CZ3-CE1 3.9Å; W88-M116 HydrophobicContact CD2-CG 4.45Å; W88-M116 HydrophobicContact CH2-CB 4.42Å; W88-M116 HydrophobicContact CH2-CG 3.59Å; W88-M116 HydrophobicContact CH2-SD 4.36Å; W88-M116 HydrophobicContact CZ2-CB 4.41Å; W88-M116 HydrophobicContact CZ2-CG 3.5Å; W88-M116 HydrophobicContact CZ2-SD 3.7Å; W88-M116 HydrophobicContact CZ3-CB 4.49Å; W88-M116 HydrophobicContact CZ3-CG 4.11Å; W88-L120 HydrophobicContact CB-CD1 4.26Å; W88-L120 HydrophobicContact CB-CD2 4.37Å; W88-H132 PolarHBondContact N-O 2.99Å; W88-L133 HydrophobicContact CB-CD1 4.31Å; W88-L133 HydrophobicContact CD2-CD1 4.18Å; W88-L133 HydrophobicContact CE3-CD1 3.55Å; W88-L133 HydrophobicContact CZ3-CD1 4.18Å; W88-N134 PolarHBondContact O-N 3.1Å; W88-M341 CarbonylContact C-O 3.51Å; W88-M341 VanDerWaalsContact CA-O 3.29Å; W88-M341 WeakPolarHBondContact CA-O 3.42Å; W88-N343 WeakPolarHBondContact CZ2-O 3.29Å; W88-N343 PolarHBondContact NE1-O 2.81Å
89	I	98.7	Very high	97	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.041	18%	0.183	C	C	.	.			trans	-131.5	134.2	178.7	-61.3	172.5	0	0	0	107.5	W91 N134 D136 M312 F340 M341 S342	I89-W91 VanDerWaalsContact C-N 3.33Å; I89-W91 HydrophobicContact CG2-CB 4.02Å; I89-W91 PolarHBondContact O-N 3.1Å; I89-N134 HydrophobicContact CG1-CB 3.77Å; I89-N134 WeakPolarHBondContact CG1-ND2 3.38Å; I89-D136 HydrophobicContact CG2-CB 4.13Å; I89-D136 WeakPolarHBondContact CG2-OD2 3.49Å; I89-M312 HydrophobicContact CB-CG 4Å; I89-M312 HydrophobicContact CB-SD 3.63Å; I89-M312 HydrophobicContact CD1-CG 4.09Å; I89-M312 HydrophobicContact CG2-CG 4.37Å; I89-M312 HydrophobicContact CG2-SD 3.5Å; I89-M312 VanDerWaalsContact CG2-SD 3.5Å; I89-F340 HydrophobicContact CD1-CB 3.5Å; I89-F340 VanDerWaalsContact CD1-CB 3.5Å; I89-F340 HydrophobicContact CD1-CD1 3.85Å; I89-F340 HydrophobicContact CD1-CD2 3.82Å; I89-F340 HydrophobicContact CD1-CG 3.44Å; I89-F340 VanDerWaalsContact CD1-CG 3.44Å; I89-F340 HydrophobicContact CG1-CB 3.85Å; I89-F340 HydrophobicContact CG1-CD1 3.85Å; I89-F340 HydrophobicContact CG1-CG 3.9Å; I89-M341 PolarHBondContact N-O 2.95Å; I89-M341 VanDerWaalsContact O-O 3.11Å; I89-S342 VanDerWaalsContact O-CA 3.29Å; I89-S342 WeakPolarHBondContact O-CA 3.46Å; I89-S342 WeakPolarHBondContact O-CB 3.36Å; I89-S342 PolarHBondContact O-OG 3.43Å
90	P	98.1	Very high	97.6	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.019	16%	0.161	C	C	.	.			trans	-74.5	-20.1	-175.5	29	-37.4	0	0	0	114.2	W88 T92 H93 F94 I108 F113 N134 D136	W88-P90 HydrophobicContact CH2-CB 3.52Å; W88-P90 HydrophobicContact CH2-CG 4.45Å; W88-P90 HydrophobicContact CZ2-CB 4.46Å; W88-P90 HydrophobicContact CZ3-CB 3.66Å; W88-P90 HydrophobicContact CZ3-CG 4.1Å; P90-T92 PolarHBondContact O-N 3.24Å; P90-H93 PolarHBondContact O-N 2.86Å; P90-F94 HydrophobicContact CB-CB 4.13Å; P90-F94 HydrophobicContact CB-CD2 4.08Å; P90-F94 HydrophobicContact CB-CG 4.43Å; P90-F94 WeakPolarHBondContact O-CB 3.46Å; P90-F94 PolarHBondContact O-N 3.02Å; P90-I108 HydrophobicContact CB-CD1 4.11Å; P90-F113 HydrophobicContact CB-CZ 4.42Å; P90-F113 HydrophobicContact CG-CE1 4.09Å; P90-F113 HydrophobicContact CG-CZ 3.96Å; P90-N134 WeakPolarHBondContact CD-O 3.22Å; P90-D136 HydrophobicContact CG-CB 3.91Å
91	W	98.1	Very high	97.8	Very high	32 Å²	32	37.4 Å²	37.4	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-56.2	-53.6	-155	-178.2	-118.1	0	0	0	115	I89 H93 K95 C96 D136 D137 Q187 D276 M312	I89-W91 VanDerWaalsContact C-N 3.33Å; I89-W91 HydrophobicContact CG2-CB 4.02Å; I89-W91 PolarHBondContact O-N 3.1Å; W91-H93 VanDerWaalsContact C-N 3.33Å; W91-H93 PolarHBondContact O-N 3.04Å; W91-K95 WeakPolarHBondContact O-CA 3.42Å; W91-K95 PolarHBondContact O-N 3.13Å; W91-C96 HydrophobicContact CH2-CB 4.38Å; W91-C96 HydrophobicContact CZ3-CB 4.03Å; W91-D136 HydrophobicContact CB-CB 4.14Å; W91-D137 HydrophobicContact CZ3-CB 4.01Å; W91-Q187 HydrophobicContact CH2-CG 3.54Å; W91-Q187 HydrophobicContact CZ3-CG 4.09Å; W91-D276 PolarHBondContact NE1-OD2 2.02Å; W91-M312 HydrophobicContact CB-CE 3.75Å; W91-M312 HydrophobicContact CB-SD 3.92Å; W91-M312 HydrophobicContact CG-CE 4.13Å
92	T	97.6	Very high	97.8	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-31.8	-175.9	-59	0	0	0	0	113	P90 V277 A279 M312 V314 S342	P90-T92 PolarHBondContact O-N 3.24Å; T92-V277 HydrophobicContact CG2-CG1 4.39Å; T92-V277 WeakPolarHBondContact CG2-O 3.36Å; T92-V277 WeakPolarHBondContact OG1-CG1 3.26Å; T92-V277 PolarHBondContact OG1-O 3.36Å; T92-A279 HydrophobicContact CG2-CB 4.18Å; T92-M312 WeakPolarHBondContact OG1-CE 3.25Å; T92-V314 HydrophobicContact CG2-CG1 3.47Å; T92-V314 VanDerWaalsContact CG2-CG1 3.47Å; T92-S342 WeakPolarHBondContact CA-OG 3.09Å; T92-S342 WeakPolarHBondContact CB-OG 3.2Å; T92-S342 PolarHBondContact N-OG 3.45Å; T92-S342 VanDerWaalsContact N-OG 3.15Å
93	H	97.4	Very high	97.9	Very high	75 Å²	75	44.7 Å²	44.7	35%	0.347	22%	0.222	S	C	.	.	H	α-helix	trans	-87.1	-55.3	-176.6	-173.4	89.7	0	0	0	112.2	P90 W91 S342	P90-H93 PolarHBondContact O-N 2.86Å; W91-H93 VanDerWaalsContact C-N 3.33Å; W91-H93 PolarHBondContact O-N 3.04Å; H93-S342 PolarHBondContact N-OG 3.43Å
94	F	97.6	Very high	97.7	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-87.9	-23.3	-174.8	-65.6	-84.2	0	0	0	112.6	W88 P90 N106 I108 L112 D344	W88-F94 AromaticContact CH2-CD2 3.93Å; W88-F94 HydrophobicContact CH2-CD2 3.93Å; W88-F94 AromaticContact CH2-CE2 3.91Å; W88-F94 HydrophobicContact CH2-CE2 3.91Å; W88-F94 AromaticContact CZ2-CD2 3.84Å; W88-F94 HydrophobicContact CZ2-CD2 3.84Å; W88-F94 AromaticContact CZ2-CE2 3.46Å; W88-F94 HydrophobicContact CZ2-CE2 3.46Å; W88-F94 VanDerWaalsContact CZ2-CE2 3.46Å; W88-F94 HydrophobicContact CZ2-CZ 4.42Å; P90-F94 HydrophobicContact CB-CB 4.13Å; P90-F94 HydrophobicContact CB-CD2 4.08Å; P90-F94 HydrophobicContact CB-CG 4.43Å; P90-F94 WeakPolarHBondContact O-CB 3.46Å; P90-F94 PolarHBondContact O-N 3.02Å; F94-N106 HydrophobicContact CD1-CB 3.92Å; F94-N106 HydrophobicContact CE1-CB 4.33Å; F94-I108 HydrophobicContact CB-CD1 3.78Å; F94-L112 HydrophobicContact CD1-CD1 4.14Å; F94-L112 HydrophobicContact CD1-CD2 3.88Å; F94-L112 HydrophobicContact CE1-CD1 3.59Å; F94-L112 HydrophobicContact CE1-CD2 4.2Å; F94-L112 HydrophobicContact CE2-CD1 4.5Å; F94-L112 HydrophobicContact CG-CD2 4.06Å; F94-L112 HydrophobicContact CZ-CD1 3.79Å; F94-D344 HydrophobicContact CE2-CB 4.5Å; F94-D344 HydrophobicContact CZ-CB 3.9Å
95	K	96.6	Very high	97.6	Very high	125 Å²	125	50.4 Å²	50.4	54%	0.543	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	-152.6	-177.2	-52.5	-177	174.9	-169.4	0	110.9	W91 E97	W91-K95 WeakPolarHBondContact O-CA 3.42Å; W91-K95 PolarHBondContact O-N 3.13Å; K95-E97 VanDerWaalsContact C-N 3.34Å; K95-E97 PolarHBondContact O-N 3.3Å
96	C	97.7	Very high	97.5	Very high	32 Å²	32	52.7 Å²	52.7	22%	0.216	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	49.8	174.5	-173	0	0	0	0	112	W91 T98 C138 Q187	W91-C96 HydrophobicContact CH2-CB 4.38Å; W91-C96 HydrophobicContact CZ3-CB 4.03Å; C96-T98 PolarHBondContact O-N 3.01Å; C96-C138 HydrophobicContact CB-CB 4.01Å; C96-C138 WeakPolarHBondContact CB-SG 3.47Å; C96-C138 WeakPolarHBondContact SG-CB 3.48Å; C96-C138 CovalentContact SG-SG 2Å; C96-C138 PolarHBondContact SG-SG 2.82Å; C96-Q187 HydrophobicContact CB-CG 3.93Å
97	E	98	Very high	97.5	Very high	46 Å²	46	52.4 Å²	52.4	22%	0.215	27%	0.272	C	S	.	.			trans	-78	103.8	175.5	-180	55.3	-93.9	0	0	110.1	K95 N99 C107 I108	K95-E97 VanDerWaalsContact C-N 3.34Å; K95-E97 PolarHBondContact O-N 3.3Å; E97-N99 WeakPolarHBondContact OE1-CA 3.47Å; E97-N99 VanDerWaalsContact OE1-CB 3.3Å; E97-N99 WeakPolarHBondContact OE1-CB 3.37Å; E97-N99 PolarHBondContact OE1-N 2.74Å; E97-C107 CarbonylContact O-C 3.59Å; E97-C107 VanDerWaalsContact O-CA 3.29Å; E97-C107 WeakPolarHBondContact O-CA 3.33Å; E97-I108 PolarHBondContact O-N 3.01Å
98	T	98	Very high	97.5	Very high	57 Å²	57	52.5 Å²	52.5	35%	0.35	27%	0.273	S	S	.	.			trans	-103.1	-6.4	-178.5	57.1	0	0	0	0	113.1	C96 C100 C138 R156 F189	C96-T98 PolarHBondContact O-N 3.01Å; T98-C100 PolarHBondContact O-N 3.14Å; T98-C138 HydrophobicContact CG2-CB 3.87Å; T98-R156 WeakPolarHBondContact O-CD 3.23Å; T98-F189 HydrophobicContact CG2-CZ 4.22Å
99	N	97.5	Very high	97.5	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	28%	0.278	S	S	.	.			trans	-91.8	88.3	-180	-170.2	-26.4	0	0	0	111.3	E97 L101 K102 S103	E97-N99 WeakPolarHBondContact OE1-CA 3.47Å; E97-N99 VanDerWaalsContact OE1-CB 3.3Å; E97-N99 WeakPolarHBondContact OE1-CB 3.37Å; E97-N99 PolarHBondContact OE1-N 2.74Å; N99-L101 PolarHBondContact O-N 3.46Å; N99-L101 PolarHBondContact OD1-N 3.04Å; N99-L101 VanDerWaalsContact OD1-N 3.16Å; N99-K102 HydrophobicContact CB-CB 4Å; N99-K102 VanDerWaalsContact CG-CB 3.46Å; N99-K102 PolarHBondContact O-N 2.9Å; N99-K102 WeakPolarHBondContact OD1-CB 3.32Å; N99-K102 PolarHBondContact OD1-N 3.25Å; N99-S103 PolarHBondContact O-N 2.91Å
100	C	97.4	Very high	97.5	Very high	37 Å²	37	53.4 Å²	53.4	25%	0.25	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.7	179.3	-71.5	0	0	0	0	114.5	T98 P104 C107	T98-C100 PolarHBondContact O-N 3.14Å; C100-P104 WeakPolarHBondContact O-CA 3.41Å; C100-P104 WeakPolarHBondContact O-CB 3.42Å; C100-C107 WeakPolarHBondContact CA-SG 3.36Å; C100-C107 HydrophobicContact CB-CB 3.76Å; C100-C107 WeakPolarHBondContact CB-SG 3.38Å; C100-C107 PolarHBondContact N-SG 3.18Å; C100-C107 WeakPolarHBondContact SG-CB 3.38Å; C100-C107 CovalentContact SG-SG 2.04Å; C100-C107 PolarHBondContact SG-SG 2.91Å
101	L	96.8	Very high	97.5	Very high	169 Å²	169	57.5 Å²	57.5	89%	0.885	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-39.7	174.3	-63.6	176.6	0	0	0	111.3	N99	N99-L101 PolarHBondContact O-N 3.46Å; N99-L101 PolarHBondContact OD1-N 3.04Å; N99-L101 VanDerWaalsContact OD1-N 3.16Å
102	K	97.1	Very high	97.5	Very high	162 Å²	162	56.1 Å²	56.1	70%	0.704	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-39.7	179.6	-176.9	-174.7	175	-167.6	0	112	N99	N99-K102 HydrophobicContact CB-CB 4Å; N99-K102 VanDerWaalsContact CG-CB 3.46Å; N99-K102 PolarHBondContact O-N 2.9Å; N99-K102 WeakPolarHBondContact OD1-CB 3.32Å; N99-K102 PolarHBondContact OD1-N 3.25Å
103	S	97	Very high	97.6	Very high	22 Å²	22	55.6 Å²	55.6	15%	0.154	29%	0.291	C	S	.	.			trans	-137.3	66.4	-172.1	-158.9	0	0	0	0	111	N99 N105 N106 C107	N99-S103 PolarHBondContact O-N 2.91Å; S103-N105 PolarHBondContact O-N 2.83Å; S103-N105 VanDerWaalsContact O-N 3.14Å; S103-N106 PolarHBondContact O-N 3.21Å; S103-N106 WeakPolarHBondContact OG-CB 3.49Å; S103-N106 PolarHBondContact OG-ND2 2.79Å; S103-C107 WeakPolarHBondContact O-CB 3.45Å; S103-C107 PolarHBondContact O-N 3.47Å
104	P	95.5	Very high	97.6	Very high	79 Å²	79	53.2 Å²	53.2	51%	0.513	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.5	-171.1	21.8	-33.9	0	0	0	113.6	C100	C100-P104 WeakPolarHBondContact O-CA 3.41Å; C100-P104 WeakPolarHBondContact O-CB 3.42Å
105	N	95.7	Very high	97.7	Very high	107 Å²	107	56.5 Å²	56.5	57%	0.572	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-12.8	-178.7	-63.7	-20.4	0	0	0	114	S103 R346	S103-N105 PolarHBondContact O-N 2.83Å; S103-N105 VanDerWaalsContact O-N 3.14Å; N105-R346 PolarHBondContact O-NH1 3.47Å; N105-R346 PolarHBondContact O-NH2 3.13Å
106	N	97	Very high	97.8	Very high	57 Å²	57	50.6 Å²	50.6	31%	0.305	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-5.8	-178.8	-50.5	-68.6	0	0	0	113.3	F94 S103 I108	F94-N106 HydrophobicContact CD1-CB 3.92Å; F94-N106 HydrophobicContact CE1-CB 4.33Å; S103-N106 PolarHBondContact O-N 3.21Å; S103-N106 WeakPolarHBondContact OG-CB 3.49Å; S103-N106 PolarHBondContact OG-ND2 2.79Å; N106-I108 PolarHBondContact O-N 3.45Å
107	C	98.1	Very high	97.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-63.8	133.9	178.8	-175.4	0	0	0	0	110.9	E97 C100 S103 N109	E97-C107 CarbonylContact O-C 3.59Å; E97-C107 VanDerWaalsContact O-CA 3.29Å; E97-C107 WeakPolarHBondContact O-CA 3.33Å; C100-C107 WeakPolarHBondContact CA-SG 3.36Å; C100-C107 HydrophobicContact CB-CB 3.76Å; C100-C107 WeakPolarHBondContact CB-SG 3.38Å; C100-C107 PolarHBondContact N-SG 3.18Å; C100-C107 WeakPolarHBondContact SG-CB 3.38Å; C100-C107 CovalentContact SG-SG 2.04Å; C100-C107 PolarHBondContact SG-SG 2.91Å; S103-C107 WeakPolarHBondContact O-CB 3.45Å; S103-C107 PolarHBondContact O-N 3.47Å; C107-N109 PolarHBondContact O-N 2.92Å
108	I	98.5	Very high	97.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.274	C	S	.	.			trans	-67.2	96.1	172.6	-57.3	-53.9	0	0	0	108.2	P90 F94 E97 N106 L112 F113 L135 R156 F157	P90-I108 HydrophobicContact CB-CD1 4.11Å; F94-I108 HydrophobicContact CB-CD1 3.78Å; E97-I108 PolarHBondContact O-N 3.01Å; N106-I108 PolarHBondContact O-N 3.45Å; I108-L112 HydrophobicContact CD1-CD2 4.01Å; I108-F113 HydrophobicContact CG2-CE2 4.08Å; I108-F113 HydrophobicContact CG2-CZ 4.38Å; I108-L135 HydrophobicContact CG2-CD1 4.25Å; I108-R156 WeakPolarHBondContact O-CD 3.46Å; I108-R156 PolarHBondContact O-NH1 2.77Å; I108-F157 HydrophobicContact CG2-CE2 4.46Å; I108-F157 HydrophobicContact CG2-CZ 4.05Å
109	N	98.5	Very high	97.9	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.107	27%	0.272	C	S	.	.	S	Bend	trans	-146.9	165.5	-178.2	70.7	36	0	0	0	110.9	C107 N111 L112 F113 R156	C107-N109 PolarHBondContact O-N 2.92Å; N109-N111 PolarHBondContact O-N 3.12Å; N109-N111 WeakPolarHBondContact OD1-CB 3.41Å; N109-N111 PolarHBondContact OD1-N 2.9Å; N109-L112 WeakPolarHBondContact O-CB 3.45Å; N109-L112 PolarHBondContact O-N 3.18Å; N109-L112 PolarHBondContact OD1-N 3.25Å; N109-F113 WeakPolarHBondContact O-CD2 3.35Å; N109-R156 CarbonylContact C-O 3.58Å; N109-R156 VanDerWaalsContact CA-O 3.3Å; N109-R156 WeakPolarHBondContact CA-O 3.2Å; N109-R156 HydrophobicContact CB-CB 3.98Å; N109-R156 VanDerWaalsContact CB-O 3.26Å; N109-R156 WeakPolarHBondContact CB-O 3.49Å
110	E	98.6	Very high	98	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.033	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-32.3	-175.7	67.7	-177.9	-146.2	0	0	114	F113 V114 R156 F157 P158 K159 W163	E110-F113 PolarHBondContact O-N 3.25Å; E110-V114 WeakPolarHBondContact O-CG2 3.38Å; E110-V114 PolarHBondContact O-N 3.43Å; E110-V114 VanDerWaalsContact O-N 3.12Å; E110-R156 PolarHBondContact N-O 3.48Å; E110-F157 HydrophobicContact CB-CD1 3.91Å; E110-F157 HydrophobicContact CB-CE1 4.48Å; E110-F157 VanDerWaalsContact OE2-C 3.3Å; E110-F157 WeakPolarHBondContact OE2-CA 3.39Å; E110-P158 VanDerWaalsContact OE2-CD 3.24Å; E110-P158 WeakPolarHBondContact OE2-CD 3.46Å; E110-K159 VanDerWaalsContact OE1-CD 3.24Å; E110-K159 WeakPolarHBondContact OE1-CD 3.39Å; E110-K159 VanDerWaalsContact OE1-CE 3.26Å; E110-K159 WeakPolarHBondContact OE1-CE 3.16Å; E110-K159 WeakPolarHBondContact OE1-CG 3.49Å; E110-K159 IonicContact OE1-NZ 3.92Å; E110-K159 WeakPolarHBondContact OE2-CB 3.28Å; E110-K159 PolarHBondContact OE2-N 2.8Å; E110-W163 HydrophobicContact CB-CZ3 4.09Å; E110-W163 HydrophobicContact CG-CZ3 4.16Å
111	N	98.3	Very high	98	Very high	89 Å²	89	49.2 Å²	49.2	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-70.2	-38.7	-179.8	-68.1	-26.4	0	0	0	112.2	N109 F113 V114 E115	N109-N111 PolarHBondContact O-N 3.12Å; N109-N111 WeakPolarHBondContact OD1-CB 3.41Å; N109-N111 PolarHBondContact OD1-N 2.9Å; N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.35Å; N111-V114 PolarHBondContact O-N 2.91Å; N111-E115 WeakPolarHBondContact O-CG 3.42Å; N111-E115 PolarHBondContact O-N 3.05Å
112	L	98.7	Very high	98.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-54.6	-46.9	175.3	174.1	65	0	0	0	110.4	F94 I108 N109 E115 M116	F94-L112 HydrophobicContact CD1-CD1 4.14Å; F94-L112 HydrophobicContact CD1-CD2 3.88Å; F94-L112 HydrophobicContact CE1-CD1 3.59Å; F94-L112 HydrophobicContact CE1-CD2 4.2Å; F94-L112 HydrophobicContact CE2-CD1 4.5Å; F94-L112 HydrophobicContact CG-CD2 4.06Å; F94-L112 HydrophobicContact CZ-CD1 3.79Å; I108-L112 HydrophobicContact CD1-CD2 4.01Å; N109-L112 WeakPolarHBondContact O-CB 3.45Å; N109-L112 PolarHBondContact O-N 3.18Å; N109-L112 PolarHBondContact OD1-N 3.25Å; L112-E115 PolarHBondContact O-N 3.24Å; L112-M116 HydrophobicContact CD1-CE 4.18Å; L112-M116 HydrophobicContact CD1-CG 4.35Å; L112-M116 VanDerWaalsContact O-CG 3.28Å; L112-M116 WeakPolarHBondContact O-CG 3.46Å; L112-M116 PolarHBondContact O-N 3.08Å
113	F	98.8	Very high	98.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.3	-37.4	-179.2	-68.6	-86.2	0	0	0	112.6	W88 P90 I108 N109 E110 N111 M116 A117 L133 N134 L135 F157 L164	W88-F113 HydrophobicContact CZ3-CD1 4.22Å; W88-F113 AromaticContact CZ3-CE1 3.9Å; W88-F113 HydrophobicContact CZ3-CE1 3.9Å; P90-F113 HydrophobicContact CB-CZ 4.42Å; P90-F113 HydrophobicContact CG-CE1 4.09Å; P90-F113 HydrophobicContact CG-CZ 3.96Å; I108-F113 HydrophobicContact CG2-CE2 4.08Å; I108-F113 HydrophobicContact CG2-CZ 4.38Å; N109-F113 WeakPolarHBondContact O-CD2 3.35Å; E110-F113 PolarHBondContact O-N 3.25Å; N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.35Å; F113-M116 PolarHBondContact O-N 3.04Å; F113-A117 VanDerWaalsContact O-CB 3.25Å; F113-A117 WeakPolarHBondContact O-CB 3.46Å; F113-A117 PolarHBondContact O-N 3.14Å; F113-L133 HydrophobicContact CB-CD2 4.04Å; F113-L133 HydrophobicContact CD1-CD2 4.15Å; F113-L133 HydrophobicContact CD1-CG 4.23Å; F113-L133 WeakPolarHBondContact O-CD2 3.31Å; F113-N134 WeakPolarHBondContact CE1-O 3.39Å; F113-L135 HydrophobicContact CD2-CD1 4.13Å; F113-L135 HydrophobicContact CE1-CB 4.21Å; F113-L135 HydrophobicContact CE1-CD1 3.8Å; F113-L135 HydrophobicContact CE2-CD1 3.34Å; F113-L135 HydrophobicContact CZ-CB 4.39Å; F113-L135 HydrophobicContact CZ-CD1 3.15Å; F113-L135 HydrophobicContact CZ-CG 4.37Å; F113-F157 HydrophobicContact CD2-CE1 4.33Å; F113-F157 HydrophobicContact CE2-CE1 4.41Å; F113-F157 HydrophobicContact CE2-CZ 4.34Å; F113-L164 HydrophobicContact CB-CD1 3.81Å; F113-L164 HydrophobicContact CB-CD2 3.92Å; F113-L164 HydrophobicContact CB-CG 4.39Å; F113-L164 HydrophobicContact CD2-CD2 4.26Å; F113-L164 HydrophobicContact CG-CD2 4.15Å
114	V	98.7	Very high	98.3	Very high	25 Å²	25	38 Å²	38	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-46.6	172.9	172.4	0	0	0	0	110.7	E110 N111 M116 A117 E118 W163 L164 Q167	E110-V114 WeakPolarHBondContact O-CG2 3.38Å; E110-V114 PolarHBondContact O-N 3.43Å; E110-V114 VanDerWaalsContact O-N 3.12Å; N111-V114 PolarHBondContact O-N 2.91Å; V114-M116 PolarHBondContact O-N 2.91Å; V114-A117 WeakPolarHBondContact O-CB 3.26Å; V114-A117 PolarHBondContact O-N 2.04Å; V114-E118 WeakPolarHBondContact O-CG 3.05Å; V114-E118 PolarHBondContact O-N 3.16Å; V114-W163 HydrophobicContact CG2-CH2 3.92Å; V114-W163 HydrophobicContact CG2-CZ3 4.08Å; V114-L164 HydrophobicContact CG2-CD1 3.93Å; V114-Q167 HydrophobicContact CG2-CB 4.36Å; V114-Q167 HydrophobicContact CG2-CG 4.44Å
115	E	98.6	Very high	98.4	Very high	75 Å²	75	34.2 Å²	34.2	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-61.2	-45.7	177.4	-72.4	178.1	-179.8	0	0	111.6	N111 L112 A117 E118 R119 R346	N111-E115 WeakPolarHBondContact O-CG 3.42Å; N111-E115 PolarHBondContact O-N 3.05Å; L112-E115 PolarHBondContact O-N 3.24Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 3.34Å; E115-E118 PolarHBondContact O-N 3.4Å; E115-R119 WeakPolarHBondContact O-CG 3.4Å; E115-R119 PolarHBondContact O-N 3.32Å; E115-R346 WeakPolarHBondContact OE2-CD 3.24Å; E115-R346 IonicContact OE2-CZ 2.72Å; E115-R346 IonicContact OE2-NE 2.87Å; E115-R346 IonicContact OE2-NH1 3.34Å; E115-R346 PolarHBondContact OE2-NH1 2.82Å
116	M	98.8	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-39.9	176.7	-65.9	-54.1	103.6	0	0	112	W88 L112 F113 V114 R119 L120 L133 L345 R346	W88-M116 HydrophobicContact CD2-CG 4.45Å; W88-M116 HydrophobicContact CH2-CB 4.42Å; W88-M116 HydrophobicContact CH2-CG 3.59Å; W88-M116 HydrophobicContact CH2-SD 4.36Å; W88-M116 HydrophobicContact CZ2-CB 4.41Å; W88-M116 HydrophobicContact CZ2-CG 3.5Å; W88-M116 HydrophobicContact CZ2-SD 3.7Å; W88-M116 HydrophobicContact CZ3-CB 4.49Å; W88-M116 HydrophobicContact CZ3-CG 4.11Å; L112-M116 HydrophobicContact CD1-CE 4.18Å; L112-M116 HydrophobicContact CD1-CG 4.35Å; L112-M116 VanDerWaalsContact O-CG 3.28Å; L112-M116 WeakPolarHBondContact O-CG 3.46Å; L112-M116 PolarHBondContact O-N 3.08Å; F113-M116 PolarHBondContact O-N 3.04Å; V114-M116 PolarHBondContact O-N 2.91Å; M116-R119 PolarHBondContact O-N 2.96Å; M116-L120 WeakPolarHBondContact O-CG 3.4Å; M116-L120 PolarHBondContact O-N 2.89Å; M116-L133 HydrophobicContact CB-CD1 3.93Å; M116-L345 HydrophobicContact SD-CB 4.06Å; M116-L345 HydrophobicContact SD-CD1 4.48Å; M116-L345 HydrophobicContact SD-CG 4.22Å; M116-R346 HydrophobicContact CE-CG 3.64Å
117	A	98.9	Very high	98.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-45.3	175.5	0	0	0	0	0	111.5	F113 V114 E115 R119 L120 V121 L133 V168 L171 L173	F113-A117 VanDerWaalsContact O-CB 3.25Å; F113-A117 WeakPolarHBondContact O-CB 3.46Å; F113-A117 PolarHBondContact O-N 3.14Å; V114-A117 WeakPolarHBondContact O-CB 3.26Å; V114-A117 PolarHBondContact O-N 2.04Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 3.34Å; A117-R119 VanDerWaalsContact C-N 3.35Å; A117-R119 PolarHBondContact O-N 3.21Å; A117-L120 PolarHBondContact O-N 3.29Å; A117-V121 PolarHBondContact O-N 2.92Å; A117-L133 HydrophobicContact CB-CD2 3.96Å; A117-V168 HydrophobicContact CB-CG2 4.24Å; A117-L171 HydrophobicContact CB-CD1 3.59Å; A117-L173 HydrophobicContact CB-CD1 3.81Å
118	E	98.8	Very high	98.6	Very high	104 Å²	104	35.1 Å²	35.1	49%	0.486	19%	0.187	S	C	.	.	H	α-helix	trans	-62	-41.3	175.7	-72.6	178.9	168.7	0	0	111.7	V114 E115 V121 A122 L171	V114-E118 WeakPolarHBondContact O-CG 3.05Å; V114-E118 PolarHBondContact O-N 3.16Å; E115-E118 PolarHBondContact O-N 3.4Å; E118-V121 PolarHBondContact O-N 3.44Å; E118-A122 VanDerWaalsContact O-CB 3.23Å; E118-A122 WeakPolarHBondContact O-CB 3.3Å; E118-A122 PolarHBondContact O-N 2.98Å; E118-L171 HydrophobicContact CG-CD1 4.31Å
119	R	98.8	Very high	98.6	Very high	78 Å²	78	36.4 Å²	36.4	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-68.4	-39.3	176.5	-64.2	-44.4	-62.6	-104.6	-7.6	113	E115 M116 A117 V121 A122 D123 L345 R346	E115-R119 WeakPolarHBondContact O-CG 3.4Å; E115-R119 PolarHBondContact O-N 3.32Å; M116-R119 PolarHBondContact O-N 2.96Å; A117-R119 VanDerWaalsContact C-N 3.35Å; A117-R119 PolarHBondContact O-N 3.21Å; R119-V121 PolarHBondContact O-N 2.85Å; R119-A122 PolarHBondContact O-N 3.4Å; R119-D123 IonicContact CZ-OD1 3.61Å; R119-D123 IonicContact CZ-OD2 3.28Å; R119-D123 IonicContact NE-OD1 2.74Å; R119-D123 PolarHBondContact NE-OD1 2.91Å; R119-D123 IonicContact NE-OD2 3.56Å; R119-D123 PolarHBondContact NE-OD2 3.5Å; R119-D123 IonicContact NH2-OD1 3.84Å; R119-D123 PolarHBondContact NH2-OD1 3.28Å; R119-D123 IonicContact NH2-OD2 3.71Å; R119-D123 PolarHBondContact NH2-OD2 3.35Å; R119-D123 VanDerWaalsContact O-CB 3.28Å; R119-D123 WeakPolarHBondContact O-CB 3.5Å; R119-D123 PolarHBondContact O-N 3.35Å; R119-L345 HydrophobicContact CB-CB 3.59Å; R119-L345 HydrophobicContact CB-CD1 4.13Å; R119-L345 HydrophobicContact CG-CB 4.11Å; R119-L345 PolarHBondContact NH2-O 3.48Å; R119-R346 HydrophobicContact CG-CG 4.29Å
120	L	98.9	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.7	-38.4	173.6	-77.7	172.8	0	0	0	111.4	W88 M116 A117 Y125 R126 L133 L173 M341 L345	W88-L120 HydrophobicContact CB-CD1 4.26Å; W88-L120 HydrophobicContact CB-CD2 4.37Å; M116-L120 WeakPolarHBondContact O-CG 3.4Å; M116-L120 PolarHBondContact O-N 2.89Å; A117-L120 PolarHBondContact O-N 3.29Å; L120-Y125 HydrophobicContact CD2-CG 4.21Å; L120-Y125 WeakPolarHBondContact O-CB 3.21Å; L120-Y125 PolarHBondContact O-N 3.38Å; L120-Y125 VanDerWaalsContact O-N 3.07Å; L120-R126 PolarHBondContact O-N 3Å; L120-L133 HydrophobicContact CD1-CB 4.33Å; L120-L133 HydrophobicContact CD1-CD1 3.88Å; L120-L173 HydrophobicContact CB-CD1 4.15Å; L120-L173 HydrophobicContact CB-CD2 4.36Å; L120-L173 HydrophobicContact CD1-CD1 4.06Å; L120-L173 HydrophobicContact CD1-CD2 4.42Å; L120-M341 HydrophobicContact CD2-CE 3.59Å; L120-L345 HydrophobicContact CD2-CD1 3.78Å; L120-L345 HydrophobicContact CG-CD1 3.85Å
121	V	98.8	Very high	98.7	Very high	33 Å²	33	37.4 Å²	37.4	20%	0.2	21%	0.206	C	C	.	.	H	α-helix	trans	-77.6	-56.7	175.6	177.3	0	0	0	0	111.9	A117 E118 R119 D123 G124 L171 L173	A117-V121 PolarHBondContact O-N 2.92Å; E118-V121 PolarHBondContact O-N 3.44Å; R119-V121 PolarHBondContact O-N 2.85Å; V121-D123 VanDerWaalsContact C-N 3.26Å; V121-D123 PolarHBondContact O-N 3.23Å; V121-G124 PolarHBondContact O-N 3.4Å; V121-L171 HydrophobicContact CG2-CB 3.98Å; V121-L171 HydrophobicContact CG2-CD2 4.41Å; V121-L173 HydrophobicContact CG2-CD1 4.36Å; V121-L173 HydrophobicContact CG2-CG 4.5Å
122	A	98.5	Very high	98.7	Very high	79 Å²	79	33.7 Å²	33.7	65%	0.653	19%	0.186	S	C	*	.	H	α-helix	trans	-64.6	-31.2	-169.5	0	0	0	0	0	112.9	E118 R119	E118-A122 VanDerWaalsContact O-CB 3.23Å; E118-A122 WeakPolarHBondContact O-CB 3.3Å; E118-A122 PolarHBondContact O-N 2.98Å; R119-A122 PolarHBondContact O-N 3.4Å
123	D	98.4	Very high	98.7	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.123	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	5	-177.8	-56.3	-36.4	0	0	0	113.2	R119 V121 Y125 R353 L357	R119-D123 IonicContact CZ-OD1 3.61Å; R119-D123 IonicContact CZ-OD2 3.28Å; R119-D123 IonicContact NE-OD1 2.74Å; R119-D123 PolarHBondContact NE-OD1 2.91Å; R119-D123 IonicContact NE-OD2 3.56Å; R119-D123 PolarHBondContact NE-OD2 3.5Å; R119-D123 IonicContact NH2-OD1 3.84Å; R119-D123 PolarHBondContact NH2-OD1 3.28Å; R119-D123 IonicContact NH2-OD2 3.71Å; R119-D123 PolarHBondContact NH2-OD2 3.35Å; R119-D123 VanDerWaalsContact O-CB 3.28Å; R119-D123 WeakPolarHBondContact O-CB 3.5Å; R119-D123 PolarHBondContact O-N 3.35Å; V121-D123 VanDerWaalsContact C-N 3.26Å; V121-D123 PolarHBondContact O-N 3.23Å; D123-Y125 HydrophobicContact CB-CD2 3.73Å; D123-Y125 HydrophobicContact CB-CE2 3.57Å; D123-R353 PolarHBondContact O-NE 3.36Å; D123-R353 PolarHBondContact O-NH2 3.4Å; D123-L357 WeakPolarHBondContact O-CD1 3.43Å
124	G	98.4	Very high	98.7	Very high	16 Å²	16	34 Å²	34	17%	0.165	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	5.2	172.8	0	0	0	0	0	116	V121 D127 V128	V121-G124 PolarHBondContact O-N 3.4Å; G124-D127 PolarHBondContact O-N 2.77Å; G124-V128 PolarHBondContact O-N 3.26Å
125	Y	98.8	Very high	98.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-63.3	-43.4	178.5	-66.1	-78.9	0	0	0	112.3	L120 D123 D127 V128 G129 Y130 M341 L345 R353 L356 L357	L120-Y125 HydrophobicContact CD2-CG 4.21Å; L120-Y125 WeakPolarHBondContact O-CB 3.21Å; L120-Y125 PolarHBondContact O-N 3.38Å; L120-Y125 VanDerWaalsContact O-N 3.07Å; D123-Y125 HydrophobicContact CB-CD2 3.73Å; D123-Y125 HydrophobicContact CB-CE2 3.57Å; Y125-D127 PolarHBondContact O-N 3.46Å; Y125-V128 WeakPolarHBondContact O-CG2 3.23Å; Y125-V128 PolarHBondContact O-N 3.35Å; Y125-G129 PolarHBondContact O-N 3.22Å; Y125-Y130 AromaticContact CD1-CD2 3.99Å; Y125-Y130 HydrophobicContact CD1-CD2 3.99Å; Y125-Y130 HydrophobicContact CD1-CE2 4.3Å; Y125-Y130 WeakPolarHBondContact O-CB 3.43Å; Y125-Y130 PolarHBondContact O-N 3.12Å; Y125-M341 HydrophobicContact CD1-CE 3.71Å; Y125-M341 HydrophobicContact CD1-SD 3.76Å; Y125-M341 HydrophobicContact CE1-CE 4.18Å; Y125-M341 HydrophobicContact CE1-SD 3.72Å; Y125-M341 HydrophobicContact CG-CE 4.06Å; Y125-L345 HydrophobicContact CD2-CD1 4.47Å; Y125-L345 HydrophobicContact CD2-CD2 4.36Å; Y125-L345 HydrophobicContact CE1-CD2 4.47Å; Y125-L345 HydrophobicContact CE2-CD2 3.72Å; Y125-R353 WeakPolarHBondContact OH-CG 3.34Å; Y125-L356 HydrophobicContact CE1-CB 3.81Å; Y125-L356 HydrophobicContact CE1-CD1 4.21Å; Y125-L357 HydrophobicContact CD1-CD2 3.57Å; Y125-L357 HydrophobicContact CD1-CG 4.21Å; Y125-L357 HydrophobicContact CE1-CD2 3.96Å; Y125-L357 HydrophobicContact CE1-CG 4.08Å; Y125-L357 HydrophobicContact CG-CD2 4.01Å
126	R	98.6	Very high	98.7	Very high	78 Å²	78	29.5 Å²	29.5	29%	0.294	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-56.3	-41.7	174.2	-175	-164.7	62.5	-162.2	-5.6	111.2	L120 V128 G129 Y130 I131 L171 L173	L120-R126 PolarHBondContact O-N 3Å; R126-V128 PolarHBondContact O-N 2.95Å; R126-G129 PolarHBondContact O-N 2.64Å; R126-Y130 WeakPolarHBondContact CA-O 3.38Å; R126-I131 HydrophobicContact CG-CG2 4.05Å; R126-L171 PolarHBondContact NH1-O 2.66Å; R126-L173 HydrophobicContact CB-CD2 4.02Å; R126-L173 HydrophobicContact CG-CD2 3.74Å
127	D	98.5	Very high	98.7	Very high	87 Å²	87	29.7 Å²	29.7	47%	0.465	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-74.9	-9.5	-174.2	-57.5	-15.9	0	0	0	113.2	G124 Y125 R359	G124-D127 PolarHBondContact O-N 2.77Å; Y125-D127 PolarHBondContact O-N 3.46Å; D127-R359 PolarHBondContact O-NH1 2.78Å
128	V	98.6	Very high	98.6	Very high	17 Å²	17	29.6 Å²	29.6	10%	0.103	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-105.6	-0.2	168.8	-56.6	0	0	0	0	113	G124 Y125 R126 Y130 L357 R359 I362	G124-V128 PolarHBondContact O-N 3.26Å; Y125-V128 WeakPolarHBondContact O-CG2 3.23Å; Y125-V128 PolarHBondContact O-N 3.35Å; R126-V128 PolarHBondContact O-N 2.95Å; V128-Y130 HydrophobicContact CG2-CD2 3.58Å; V128-Y130 HydrophobicContact CG2-CE2 3.78Å; V128-L357 HydrophobicContact CG1-CD2 4.14Å; V128-L357 HydrophobicContact CG2-CD2 3.61Å; V128-R359 HydrophobicContact CG1-CG 4.11Å; V128-I362 HydrophobicContact CB-CD1 3.72Å; V128-I362 HydrophobicContact CG2-CD1 3.62Å
129	G	98.4	Very high	98.6	Very high	28 Å²	28	24.7 Å²	24.7	29%	0.289	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	118	-7.5	172.6	0	0	0	0	0	116.2	M86 Y125 R126 I131	M86-G129 WeakPolarHBondContact CB-O 3.26Å; Y125-G129 PolarHBondContact O-N 3.22Å; R126-G129 PolarHBondContact O-N 2.64Å; G129-I131 VanDerWaalsContact C-N 3.3Å; G129-I131 PolarHBondContact O-N 3.46Å
130	Y	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.			trans	-73.4	84.3	175	-64	-84.4	0	0	0	110.7	M86 G87 Y125 R126 V128 L339 M341 L356 I362	M86-Y130 HydrophobicContact CB-CD1 3.89Å; M86-Y130 HydrophobicContact CB-CE1 4.26Å; M86-Y130 HydrophobicContact CB-CG 4.34Å; M86-Y130 HydrophobicContact CE-CD1 4.11Å; M86-Y130 HydrophobicContact CE-CD2 3.87Å; M86-Y130 HydrophobicContact CE-CE1 3.86Å; M86-Y130 HydrophobicContact CE-CE2 3.57Å; M86-Y130 HydrophobicContact CE-CG 4.11Å; G87-Y130 WeakPolarHBondContact O-CD1 3.47Å; Y125-Y130 AromaticContact CD1-CD2 3.99Å; Y125-Y130 HydrophobicContact CD1-CD2 3.99Å; Y125-Y130 HydrophobicContact CD1-CE2 4.3Å; Y125-Y130 WeakPolarHBondContact O-CB 3.43Å; Y125-Y130 PolarHBondContact O-N 3.12Å; R126-Y130 WeakPolarHBondContact CA-O 3.38Å; V128-Y130 HydrophobicContact CG2-CD2 3.58Å; V128-Y130 HydrophobicContact CG2-CE2 3.78Å; Y130-L339 WeakPolarHBondContact CD1-O 3.22Å; Y130-L339 HydrophobicContact CE1-CB 3.95Å; Y130-L339 VanDerWaalsContact CE1-O 3.23Å; Y130-L339 WeakPolarHBondContact CE1-O 3.43Å; Y130-M341 HydrophobicContact CD1-CE 3.63Å; Y130-M341 HydrophobicContact CD1-CG 4.1Å; Y130-M341 HydrophobicContact CD1-SD 4.11Å; Y130-M341 HydrophobicContact CD2-CE 4.28Å; Y130-M341 HydrophobicContact CE1-CE 4.12Å; Y130-M341 HydrophobicContact CE1-CG 3.74Å; Y130-M341 HydrophobicContact CE1-SD 3.97Å; Y130-M341 HydrophobicContact CG-CE 3.73Å; Y130-M341 HydrophobicContact CG-SD 4.45Å; Y130-L356 VanDerWaalsContact CE2-O 3.26Å; Y130-L356 WeakPolarHBondContact CE2-O 3.39Å; Y130-L356 PolarHBondContact OH-O 2.61Å; Y130-I362 HydrophobicContact CE2-CD1 4.08Å
131	I	98.7	Very high	98.6	Very high	48 Å²	48	23.1 Å²	23.1	25%	0.246	14%	0.14	C	C	.	.			trans	-107.9	-17.8	-172.6	64.1	173.5	0	0	0	113.7	M86 R126 G129 L173 K174	M86-I131 PolarHBondContact O-N 3.39Å; M86-I131 VanDerWaalsContact O-N 3.15Å; R126-I131 HydrophobicContact CG-CG2 4.05Å; G129-I131 VanDerWaalsContact C-N 3.3Å; G129-I131 PolarHBondContact O-N 3.46Å; I131-L173 CarbonylContact O-C 3.59Å; I131-L173 WeakPolarHBondContact O-CA 3.42Å; I131-L173 WeakPolarHBondContact O-CB 3.48Å; I131-K174 HydrophobicContact CD1-CD 3.89Å; I131-K174 HydrophobicContact CD1-CG 4.38Å; I131-K174 HydrophobicContact CG1-CD 4.39Å; I131-K174 PolarHBondContact O-N 2.84Å
132	H	98.8	Very high	98.5	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.9	-179	-71.6	-92.3	0	0	0	111.2	M86 G87 W88 K174 F340	M86-H132 PolarHBondContact O-CD2 3.48Å; M86-H132 PolarHBondContact O-N 2.91Å; M86-H132 VanDerWaalsContact O-N 3.14Å; G87-H132 CarbonylContact C-O 3.6Å; G87-H132 WeakPolarHBondContact CA-O 3.4Å; W88-H132 PolarHBondContact N-O 2.99Å; H132-K174 CarbonylContact C-O 3.57Å; H132-K174 WeakPolarHBondContact CA-O 3.28Å; H132-K174 VanDerWaalsContact CE1-CD 3.45Å; H132-K174 WeakPolarHBondContact CE1-CD 3.35Å; H132-F340 HydrophobicContact CB-CE1 3.82Å
133	L	98.9	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.8	167.8	-176	79.9	0	0	0	108.9	W88 F113 M116 A117 L120 V168 K174 F175 G176	W88-L133 HydrophobicContact CB-CD1 4.31Å; W88-L133 HydrophobicContact CD2-CD1 4.18Å; W88-L133 HydrophobicContact CE3-CD1 3.55Å; W88-L133 HydrophobicContact CZ3-CD1 4.18Å; F113-L133 HydrophobicContact CB-CD2 4.04Å; F113-L133 HydrophobicContact CD1-CD2 4.15Å; F113-L133 HydrophobicContact CD1-CG 4.23Å; F113-L133 WeakPolarHBondContact O-CD2 3.31Å; M116-L133 HydrophobicContact CB-CD1 3.93Å; A117-L133 HydrophobicContact CB-CD2 3.96Å; L120-L133 HydrophobicContact CD1-CB 4.33Å; L120-L133 HydrophobicContact CD1-CD1 3.88Å; L133-V168 HydrophobicContact CB-CG1 4.15Å; L133-V168 HydrophobicContact CD2-CG1 4.27Å; L133-V168 HydrophobicContact CD2-CG2 3.54Å; L133-K174 PolarHBondContact N-O 3.48Å; L133-F175 WeakPolarHBondContact O-CA 3.33Å; L133-G176 PolarHBondContact O-N 3.27Å
134	N	98.9	Very high	98.5	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.053	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.1	-172.1	-64	-28.1	0	0	0	111.6	W88 I89 P90 F113 G176 F340	W88-N134 PolarHBondContact O-N 3.1Å; I89-N134 HydrophobicContact CG1-CB 3.77Å; I89-N134 WeakPolarHBondContact CG1-ND2 3.38Å; P90-N134 WeakPolarHBondContact CD-O 3.22Å; F113-N134 WeakPolarHBondContact CE1-O 3.39Å; N134-G176 WeakPolarHBondContact CA-O 3.34Å; N134-G176 VanDerWaalsContact OD1-CA 3.25Å; N134-G176 WeakPolarHBondContact OD1-CA 3.49Å; N134-G176 PolarHBondContact OD1-N 2.91Å; N134-F340 WeakPolarHBondContact ND2-CD1 3.2Å; N134-F340 WeakPolarHBondContact ND2-CE1 3.26Å
135	L	98.8	Very high	98.4	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.3	168.3	179.4	60.7	0	0	0	109.1	I108 F113 W139 F157 I161 F175 G176 I177 Y178	I108-L135 HydrophobicContact CG2-CD1 4.25Å; F113-L135 HydrophobicContact CD2-CD1 4.13Å; F113-L135 HydrophobicContact CE1-CB 4.21Å; F113-L135 HydrophobicContact CE1-CD1 3.8Å; F113-L135 HydrophobicContact CE2-CD1 3.34Å; F113-L135 HydrophobicContact CZ-CB 4.39Å; F113-L135 HydrophobicContact CZ-CD1 3.15Å; F113-L135 HydrophobicContact CZ-CG 4.37Å; L135-W139 HydrophobicContact CD1-CB 3.67Å; L135-W139 HydrophobicContact CD1-CG 4.37Å; L135-W139 HydrophobicContact CD2-CB 3.58Å; L135-W139 HydrophobicContact CD2-CD2 4.11Å; L135-W139 HydrophobicContact CD2-CG 3.65Å; L135-W139 HydrophobicContact CG-CB 3.66Å; L135-W139 HydrophobicContact CG-CG 3.81Å; L135-F157 HydrophobicContact CD1-CE1 4.17Å; L135-F157 HydrophobicContact CD1-CZ 3.9Å; L135-F157 HydrophobicContact CD2-CE1 4.3Å; L135-F157 HydrophobicContact CD2-CZ 4.49Å; L135-I161 HydrophobicContact CD2-CD1 3.68Å; L135-F175 HydrophobicContact CB-CE1 4.19Å; L135-F175 HydrophobicContact CB-CZ 3.71Å; L135-F175 HydrophobicContact CD2-CE1 4.49Å; L135-F175 HydrophobicContact CD2-CZ 3.97Å; L135-G176 PolarHBondContact N-O 3.4Å; L135-I177 HydrophobicContact CD2-CG1 4.35Å; L135-I177 CarbonylContact O-C 3.56Å; L135-Y178 VanDerWaalsContact O-CB 3.28Å; L135-Y178 WeakPolarHBondContact O-CB 3.48Å; L135-Y178 PolarHBondContact O-N 3.41Å
136	D	98.5	Very high	98.4	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.027	21%	0.209	C	C	.	.			trans	-85.9	-174	177.8	-137.1	-53.6	0	0	0	112.2	I89 P90 W91 Y178 K212	I89-D136 HydrophobicContact CG2-CB 4.13Å; I89-D136 WeakPolarHBondContact CG2-OD2 3.49Å; P90-D136 HydrophobicContact CG-CB 3.91Å; W91-D136 HydrophobicContact CB-CB 4.14Å; D136-Y178 VanDerWaalsContact C-CB 3.49Å; D136-Y178 WeakPolarHBondContact OD1-CD2 3.26Å; D136-K212 IonicContact OD1-NZ 3.78Å; D136-K212 PolarHBondContact OD1-NZ 2.9Å; D136-K212 IonicContact OD2-NZ 2.75Å; D136-K212 PolarHBondContact OD2-NZ 2.69Å
137	D	98.4	Very high	98.3	Very high	3 Å²	3	41 Å²	41	2%	0.016	23%	0.231	C	C	.	.	S	Bend	trans	-46.3	157.7	179	-159.6	-4.7	0	0	0	112.7	W91 Y178 T185 C186 Q187	W91-D137 HydrophobicContact CZ3-CB 4.01Å; D137-Y178 VanDerWaalsContact CA-CD1 3.41Å; D137-Y178 HydrophobicContact CB-CD1 3.72Å; D137-Y178 HydrophobicContact CB-CE1 3.43Å; D137-Y178 VanDerWaalsContact CB-CE1 3.43Å; D137-Y178 HydrophobicContact CB-CE2 4.25Å; D137-Y178 HydrophobicContact CB-CG 4.27Å; D137-T185 VanDerWaalsContact CG-OG1 3.31Å; D137-T185 WeakPolarHBondContact OD1-CB 3.49Å; D137-T185 PolarHBondContact OD1-OG1 3.14Å; D137-T185 WeakPolarHBondContact OD2-CB 3.28Å; D137-T185 PolarHBondContact OD2-OG1 2.93Å; D137-T185 VanDerWaalsContact OD2-OG1 3.1Å; D137-C186 PolarHBondContact OD2-N 3.19Å; D137-Q187 WeakPolarHBondContact OD2-CB 3.15Å; D137-Q187 WeakPolarHBondContact OD2-CG 3.09Å; D137-Q187 PolarHBondContact OD2-N 3.47Å
138	C	98.4	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	76.2	24.1	179	-44.7	0	0	0	0	115.5	C96 T98 E140 R156 Q187 F189	C96-C138 HydrophobicContact CB-CB 4.01Å; C96-C138 WeakPolarHBondContact CB-SG 3.47Å; C96-C138 WeakPolarHBondContact SG-CB 3.48Å; C96-C138 CovalentContact SG-SG 2Å; C96-C138 PolarHBondContact SG-SG 2.82Å; T98-C138 HydrophobicContact CG2-CB 3.87Å; C138-E140 WeakPolarHBondContact CA-OE2 3.45Å; C138-E140 PolarHBondContact N-OE2 3.38Å; C138-E140 VanDerWaalsContact N-OE2 3.1Å; C138-R156 PolarHBondContact O-NH1 2.87Å; C138-R156 PolarHBondContact O-NH2 3.27Å; C138-Q187 WeakPolarHBondContact SG-CB 3.43Å; C138-Q187 WeakPolarHBondContact SG-CG 3.39Å; C138-F189 HydrophobicContact CB-CD2 4.25Å; C138-F189 HydrophobicContact CB-CE2 3.67Å; C138-F189 HydrophobicContact CB-CZ 4.15Å; C138-F189 WeakPolarHBondContact SG-CE2 3.46Å
139	W	98.6	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.			trans	-88.6	-23.7	168.5	68	-89.9	0	0	0	112.5	L135 L150 A152 N153 F157 I161 I177 Y178 F203 W206	L135-W139 HydrophobicContact CD1-CB 3.67Å; L135-W139 HydrophobicContact CD1-CG 4.37Å; L135-W139 HydrophobicContact CD2-CB 3.58Å; L135-W139 HydrophobicContact CD2-CD2 4.11Å; L135-W139 HydrophobicContact CD2-CG 3.65Å; L135-W139 HydrophobicContact CG-CB 3.66Å; L135-W139 HydrophobicContact CG-CG 3.81Å; W139-L150 HydrophobicContact CH2-CD2 3.64Å; W139-L150 HydrophobicContact CH2-CG 3.84Å; W139-L150 HydrophobicContact CZ2-CD2 3.52Å; W139-L150 HydrophobicContact CZ2-CG 4.18Å; W139-A152 HydrophobicContact CE3-CB 3.69Å; W139-A152 HydrophobicContact CZ3-CB 3.81Å; W139-N153 PolarHBondContact O-N 3.28Å; W139-F157 HydrophobicContact CB-CE2 3.9Å; W139-F157 HydrophobicContact CB-CZ 3.93Å; W139-I161 HydrophobicContact CE3-CD1 3.81Å; W139-I161 HydrophobicContact CE3-CG1 3.85Å; W139-I161 HydrophobicContact CZ3-CD1 4.28Å; W139-I161 HydrophobicContact CZ3-CG1 3.79Å; W139-I177 HydrophobicContact CD2-CD1 4.39Å; W139-I177 HydrophobicContact CH2-CD1 4.06Å; W139-I177 HydrophobicContact CZ2-CD1 3.65Å; W139-I177 HydrophobicContact CZ2-CG1 4.13Å; W139-Y178 PolarHBondContact NE1-O 3.49Å; W139-F203 HydrophobicContact CH2-CE1 4.23Å; W139-F203 AromaticContact CZ2-CE1 3.98Å; W139-F203 HydrophobicContact CZ2-CE1 3.98Å; W139-W206 AromaticContact CH2-CH2 3.73Å; W139-W206 HydrophobicContact CH2-CH2 3.73Å; W139-W206 AromaticContact CH2-CZ3 3.61Å; W139-W206 HydrophobicContact CH2-CZ3 3.61Å; W139-W206 HydrophobicContact CZ2-CZ3 4.37Å; W139-W206 HydrophobicContact CZ3-CH2 4.13Å; W139-W206 HydrophobicContact CZ3-CZ3 4.1Å
140	E	98.5	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-65.4	154.9	-174.9	-57.1	86.9	161.2	0	0	111.6	C138 L150 M151 R156 F189	C138-E140 WeakPolarHBondContact CA-OE2 3.45Å; C138-E140 PolarHBondContact N-OE2 3.38Å; C138-E140 VanDerWaalsContact N-OE2 3.1Å; E140-L150 HydrophobicContact CB-CD1 4.45Å; E140-L150 HydrophobicContact CG-CD1 4.02Å; E140-L150 HydrophobicContact CG-CD2 4.25Å; E140-L150 HydrophobicContact CG-CG 4.29Å; E140-M151 CarbonylContact C-O 3.52Å; E140-M151 WeakPolarHBondContact CA-O 3.25Å; E140-R156 PolarHBondContact O-NH2 3.32Å; E140-F189 HydrophobicContact CB-CB 3.89Å; E140-F189 HydrophobicContact CB-CD1 3.98Å; E140-F189 HydrophobicContact CB-CG 4.17Å; E140-F189 HydrophobicContact CG-CB 4.27Å; E140-F189 WeakPolarHBondContact O-CD1 3.17Å; E140-F189 WeakPolarHBondContact O-CE1 3.22Å
141	N	98.1	Very high	98.2	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.241	23%	0.229	C	C	.	.			trans	-69.4	155.9	159.9	-169.9	47.8	0	0	0	109.9	S143 M151 P190	N141-S143 PolarHBondContact ND2-O 3.29Å; N141-S143 PolarHBondContact O-N 2.87Å; N141-M151 HydrophobicContact CB-CB 4.08Å; N141-M151 HydrophobicContact CB-CE 4.33Å; N141-M151 PolarHBondContact N-O 2.75Å; N141-M151 WeakPolarHBondContact ND2-CE 3.45Å; N141-P190 WeakPolarHBondContact O-CD 3.5Å
142	E	97.4	Very high	98.2	Very high	150 Å²	150	40.3 Å²	40.3	70%	0.701	23%	0.225	S	C	*	.	S	Bend	trans	-61.9	-19.6	-180	-63.9	-179.8	-179	0	0	113.3
143	S	97.6	Very high	98.2	Very high	75 Å²	75	40.7 Å²	40.7	52%	0.524	23%	0.228	S	C	.	.	S	Bend	trans	-145	151.9	178.4	-65.2	0	0	0	0	111.3	N141	N141-S143 PolarHBondContact ND2-O 3.29Å; N141-S143 PolarHBondContact O-N 2.87Å
144	R	98.1	Very high	98.1	Very high	41 Å²	41	44.2 Å²	44.2	16%	0.155	26%	0.257	C	S	.	.			trans	-64.6	161.9	168	-69.5	170.4	177.8	-79.8	-7.6	110.6	G148 N149 L150 P190 G191 D199	R144-G148 WeakPolarHBondContact CD-O 3.18Å; R144-G148 PolarHBondContact NH1-O 2.74Å; R144-N149 WeakPolarHBondContact CA-O 3.47Å; R144-N149 WeakPolarHBondContact CB-O 3.43Å; R144-L150 HydrophobicContact CG-CD1 4.46Å; R144-P190 HydrophobicContact CG-CB 3.96Å; R144-P190 HydrophobicContact CG-CG 4.41Å; R144-G191 PolarHBondContact NH2-O 2.9Å; R144-D199 IonicContact CZ-OD1 3.11Å; R144-D199 IonicContact CZ-OD2 3.61Å; R144-D199 IonicContact NH1-OD1 2.81Å; R144-D199 PolarHBondContact NH1-OD1 3.05Å; R144-D199 IonicContact NH1-OD2 2.85Å; R144-D199 PolarHBondContact NH1-OD2 2.86Å; R144-D199 IonicContact NH2-OD1 2.68Å; R144-D199 IonicContact NH2-OD2 2.7Å; R144-D199 PolarHBondContact NH2-OD2 3.36Å
145	D	97.8	Very high	98	Very high	51 Å²	51	51.7 Å²	51.7	27%	0.273	29%	0.294	S	S	.	.			trans	-71.8	177.6	171.3	76.8	5.8	0	0	0	112.4	K147 G148 N149 M151	D145-K147 PolarHBondContact O-N 2.65Å; D145-K147 VanDerWaalsContact O-N 3.09Å; D145-K147 VanDerWaalsContact OD1-C 3.29Å; D145-K147 VanDerWaalsContact OD1-CA 3.29Å; D145-K147 WeakPolarHBondContact OD1-CA 3.39Å; D145-K147 WeakPolarHBondContact OD1-CB 3.49Å; D145-K147 PolarHBondContact OD1-N 3.28Å; D145-G148 PolarHBondContact O-N 3.02Å; D145-G148 PolarHBondContact OD1-N 2.74Å; D145-N149 PolarHBondContact N-O 2.81Å; D145-N149 VanDerWaalsContact N-O 3.07Å; D145-N149 PolarHBondContact OD1-N 2.72Å; D145-N149 PolarHBondContact OD1-ND2 3.25Å; D145-N149 WeakPolarHBondContact OD2-CB 3.48Å; D145-N149 PolarHBondContact OD2-ND2 2.82Å; D145-M151 HydrophobicContact CB-CE 4.09Å; D145-M151 HydrophobicContact CB-CG 4.17Å; D145-M151 HydrophobicContact CB-SD 3.64Å
146	A	97.4	Very high	98	Very high	115 Å²	115	52.1 Å²	52.1	95%	0.95	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.9	179.1	0	0	0	0	0	114.4
147	K	97.7	Very high	98	Very high	173 Å²	173	52.1 Å²	52.1	75%	0.752	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	5.7	177.5	-61.8	179.5	-179.5	179.5	0	112.3	D145 N149 Q198	D145-K147 PolarHBondContact O-N 2.65Å; D145-K147 VanDerWaalsContact O-N 3.09Å; D145-K147 VanDerWaalsContact OD1-C 3.29Å; D145-K147 VanDerWaalsContact OD1-CA 3.29Å; D145-K147 WeakPolarHBondContact OD1-CA 3.39Å; D145-K147 WeakPolarHBondContact OD1-CB 3.49Å; D145-K147 PolarHBondContact OD1-N 3.28Å; K147-N149 VanDerWaalsContact C-N 3.31Å; K147-N149 PolarHBondContact O-N 2.77Å; K147-Q198 PolarHBondContact O-NE2 3.46Å
148	G	97.8	Very high	98	Very high	14 Å²	14	56 Å²	56	14%	0.144	32%	0.32	C	S	.	.			trans	79.3	7.1	-177.8	0	0	0	0	0	114.5	R144 D145	R144-G148 WeakPolarHBondContact CD-O 3.18Å; R144-G148 PolarHBondContact NH1-O 2.74Å; D145-G148 PolarHBondContact O-N 3.02Å; D145-G148 PolarHBondContact OD1-N 2.74Å
149	N	98.2	Very high	98	Very high	57 Å²	57	61.3 Å²	61.3	31%	0.305	34%	0.344	S	S	.	.			trans	-71.9	137.8	178.3	-56.9	-57.3	0	0	0	110.8	R144 D145 K147 Q198	R144-N149 WeakPolarHBondContact CA-O 3.47Å; R144-N149 WeakPolarHBondContact CB-O 3.43Å; D145-N149 PolarHBondContact N-O 2.81Å; D145-N149 VanDerWaalsContact N-O 3.07Å; D145-N149 PolarHBondContact OD1-N 2.72Å; D145-N149 PolarHBondContact OD1-ND2 3.25Å; D145-N149 WeakPolarHBondContact OD2-CB 3.48Å; D145-N149 PolarHBondContact OD2-ND2 2.82Å; K147-N149 VanDerWaalsContact C-N 3.31Å; K147-N149 PolarHBondContact O-N 2.77Å; N149-Q198 PolarHBondContact OD1-NE2 2.93Å
150	L	97.8	Very high	98	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.031	36%	0.355	C	S	.	.			trans	-68.4	132	167.6	-164	63.1	0	0	0	109.7	W139 E140 R144 P190 F203	W139-L150 HydrophobicContact CH2-CD2 3.64Å; W139-L150 HydrophobicContact CH2-CG 3.84Å; W139-L150 HydrophobicContact CZ2-CD2 3.52Å; W139-L150 HydrophobicContact CZ2-CG 4.18Å; E140-L150 HydrophobicContact CB-CD1 4.45Å; E140-L150 HydrophobicContact CG-CD1 4.02Å; E140-L150 HydrophobicContact CG-CD2 4.25Å; E140-L150 HydrophobicContact CG-CG 4.29Å; R144-L150 HydrophobicContact CG-CD1 4.46Å; L150-P190 HydrophobicContact CD1-CB 3.89Å; L150-P190 HydrophobicContact CD1-CG 4.48Å; L150-F203 HydrophobicContact CD2-CE1 4.05Å; L150-F203 HydrophobicContact CD2-CZ 3.89Å
151	M	97.7	Very high	98	Very high	68 Å²	68	62.8 Å²	62.8	34%	0.335	36%	0.357	S	S	.	.			trans	-120.9	144.9	-178.7	-63	-167.6	-62	0	0	110.2	E140 N141 D145	E140-M151 CarbonylContact C-O 3.52Å; E140-M151 WeakPolarHBondContact CA-O 3.25Å; N141-M151 HydrophobicContact CB-CB 4.08Å; N141-M151 HydrophobicContact CB-CE 4.33Å; N141-M151 PolarHBondContact N-O 2.75Å; N141-M151 WeakPolarHBondContact ND2-CE 3.45Å; D145-M151 HydrophobicContact CB-CE 4.09Å; D145-M151 HydrophobicContact CB-CG 4.17Å; D145-M151 HydrophobicContact CB-SD 3.64Å
152	A	98.4	Very high	98	Very high	20 Å²	20	64 Å²	64	17%	0.165	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-72.7	152	163.8	0	0	0	0	0	110.4	W139 A154 F157 I161	W139-A152 HydrophobicContact CE3-CB 3.69Å; W139-A152 HydrophobicContact CZ3-CB 3.81Å; A152-A154 PolarHBondContact O-N 3.07Å; A152-A154 VanDerWaalsContact O-N 3.14Å; A152-F157 HydrophobicContact CB-CB 3.82Å; A152-F157 HydrophobicContact CB-CD2 4.28Å; A152-F157 HydrophobicContact CB-CG 4.18Å; A152-I161 HydrophobicContact CB-CD1 3.79Å; A152-I161 HydrophobicContact CB-CG1 3.8Å
153	N	98.4	Very high	98.1	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.102	34%	0.34	C	S	.	.			trans	-63.8	117	173.8	-178	-77.4	0	0	0	110.6	W139 M155 R156 F157	W139-N153 PolarHBondContact O-N 3.28Å; N153-M155 PolarHBondContact O-N 2.66Å; N153-M155 VanDerWaalsContact O-N 3.16Å; N153-M155 PolarHBondContact OD1-N 2.74Å; N153-M155 VanDerWaalsContact OD1-N 3.08Å; N153-R156 HydrophobicContact CB-CB 4.41Å; N153-R156 PolarHBondContact O-N 3.39Å; N153-R156 VanDerWaalsContact O-N 3.13Å; N153-R156 PolarHBondContact OD1-N 2.89Å; N153-F157 PolarHBondContact O-N 3.01Å
154	A	97.8	Very high	98.1	Very high	75 Å²	75	56 Å²	56	62%	0.62	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.4	-172.2	0	0	0	0	0	114.9	A152 P158	A152-A154 PolarHBondContact O-N 3.07Å; A152-A154 VanDerWaalsContact O-N 3.14Å; A154-P158 VanDerWaalsContact O-CA 3.23Å; A154-P158 WeakPolarHBondContact O-CA 3.36Å; A154-P158 WeakPolarHBondContact O-CB 3.33Å
155	M	97.6	Very high	98.2	Very high	166 Å²	166	54 Å²	54	82%	0.818	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-32.7	175.7	-64.4	-170.5	-65.6	0	0	112.2	N153	N153-M155 PolarHBondContact O-N 2.66Å; N153-M155 VanDerWaalsContact O-N 3.16Å; N153-M155 PolarHBondContact OD1-N 2.74Å; N153-M155 VanDerWaalsContact OD1-N 3.08Å
156	R	98.3	Very high	98.2	Very high	12 Å²	12	55.8 Å²	55.8	5%	0.045	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-27.6	-176.8	-61.7	-176.5	-66.2	119.6	-6.3	112.6	T98 I108 N109 E110 C138 E140 N153	T98-R156 WeakPolarHBondContact O-CD 3.23Å; I108-R156 WeakPolarHBondContact O-CD 3.46Å; I108-R156 PolarHBondContact O-NH1 2.77Å; N109-R156 CarbonylContact C-O 3.58Å; N109-R156 VanDerWaalsContact CA-O 3.3Å; N109-R156 WeakPolarHBondContact CA-O 3.2Å; N109-R156 HydrophobicContact CB-CB 3.98Å; N109-R156 VanDerWaalsContact CB-O 3.26Å; N109-R156 WeakPolarHBondContact CB-O 3.49Å; E110-R156 PolarHBondContact N-O 3.48Å; C138-R156 PolarHBondContact O-NH1 2.87Å; C138-R156 PolarHBondContact O-NH2 3.27Å; E140-R156 PolarHBondContact O-NH2 3.32Å; N153-R156 HydrophobicContact CB-CB 4.41Å; N153-R156 PolarHBondContact O-N 3.39Å; N153-R156 VanDerWaalsContact O-N 3.13Å; N153-R156 PolarHBondContact OD1-N 2.89Å
157	F	98.6	Very high	98.3	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.018	28%	0.281	C	S	.	.			trans	-126.8	57.9	177	-59.2	-90.5	0	0	0	110.3	I108 E110 F113 L135 W139 A152 N153 K159 G160 I161 L164	I108-F157 HydrophobicContact CG2-CE2 4.46Å; I108-F157 HydrophobicContact CG2-CZ 4.05Å; E110-F157 HydrophobicContact CB-CD1 3.91Å; E110-F157 HydrophobicContact CB-CE1 4.48Å; E110-F157 VanDerWaalsContact OE2-C 3.3Å; E110-F157 WeakPolarHBondContact OE2-CA 3.39Å; F113-F157 HydrophobicContact CD2-CE1 4.33Å; F113-F157 HydrophobicContact CE2-CE1 4.41Å; F113-F157 HydrophobicContact CE2-CZ 4.34Å; L135-F157 HydrophobicContact CD1-CE1 4.17Å; L135-F157 HydrophobicContact CD1-CZ 3.9Å; L135-F157 HydrophobicContact CD2-CE1 4.3Å; L135-F157 HydrophobicContact CD2-CZ 4.49Å; W139-F157 HydrophobicContact CB-CE2 3.9Å; W139-F157 HydrophobicContact CB-CZ 3.93Å; A152-F157 HydrophobicContact CB-CB 3.82Å; A152-F157 HydrophobicContact CB-CD2 4.28Å; A152-F157 HydrophobicContact CB-CG 4.18Å; N153-F157 PolarHBondContact O-N 3.01Å; F157-K159 PolarHBondContact O-N 3.26Å; F157-K159 VanDerWaalsContact O-N 3.14Å; F157-G160 PolarHBondContact O-N 3.1Å; F157-I161 HydrophobicContact CD1-CD1 3.83Å; F157-I161 HydrophobicContact CE1-CD1 4.26Å; F157-I161 HydrophobicContact CG-CD1 4.16Å; F157-L164 HydrophobicContact CD1-CD2 4.31Å; F157-L164 HydrophobicContact CE1-CD2 4.08Å
158	P	98.2	Very high	98.3	Very high	84 Å²	84	44.6 Å²	44.6	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24	-175.7	25.6	-36.5	0	0	0	114.1	E110 A154	E110-P158 VanDerWaalsContact OE2-CD 3.24Å; E110-P158 WeakPolarHBondContact OE2-CD 3.46Å; A154-P158 VanDerWaalsContact O-CA 3.23Å; A154-P158 WeakPolarHBondContact O-CA 3.36Å; A154-P158 WeakPolarHBondContact O-CB 3.33Å
159	K	98.5	Very high	98.4	Very high	113 Å²	113	46.2 Å²	46.2	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5	175.9	-58.3	175	-164.4	162.4	0	113.1	E110 F157 W163	E110-K159 VanDerWaalsContact OE1-CD 3.24Å; E110-K159 WeakPolarHBondContact OE1-CD 3.39Å; E110-K159 VanDerWaalsContact OE1-CE 3.26Å; E110-K159 WeakPolarHBondContact OE1-CE 3.16Å; E110-K159 WeakPolarHBondContact OE1-CG 3.49Å; E110-K159 IonicContact OE1-NZ 3.92Å; E110-K159 WeakPolarHBondContact OE2-CB 3.28Å; E110-K159 PolarHBondContact OE2-N 2.8Å; F157-K159 PolarHBondContact O-N 3.26Å; F157-K159 VanDerWaalsContact O-N 3.14Å; K159-W163 HydrophobicContact CB-CB 3.83Å; K159-W163 HydrophobicContact CB-CD2 3.53Å; K159-W163 HydrophobicContact CB-CE3 3.65Å; K159-W163 HydrophobicContact CB-CG 3.6Å; K159-W163 HydrophobicContact CB-CZ3 4.46Å; K159-W163 HydrophobicContact CD-CD2 3.45Å; K159-W163 VanDerWaalsContact CD-CD2 3.45Å; K159-W163 HydrophobicContact CD-CE3 3.71Å; K159-W163 HydrophobicContact CD-CG 4.1Å; K159-W163 HydrophobicContact CD-CH2 3.74Å; K159-W163 HydrophobicContact CD-CZ2 3.48Å; K159-W163 VanDerWaalsContact CD-CZ2 3.48Å; K159-W163 HydrophobicContact CD-CZ3 3.85Å; K159-W163 HydrophobicContact CG-CD2 4.15Å; K159-W163 HydrophobicContact CG-CE3 4.32Å; K159-W163 HydrophobicContact CG-CG 4.47Å; K159-W163 VanDerWaalsContact NZ-CZ2 3.27Å; K159-W163 WeakPolarHBondContact O-CB 3.36Å
160	G	97.9	Very high	98.4	Very high	24 Å²	24	50.5 Å²	50.5	25%	0.247	27%	0.267	C	S	.	.	H	α-helix	trans	78.1	166.5	178.9	0	0	0	0	0	114.5	F157 W163 L164	F157-G160 PolarHBondContact O-N 3.1Å; G160-W163 PolarHBondContact O-N 3.23Å; G160-L164 PolarHBondContact O-N 2.8Å
161	I	98.6	Very high	98.4	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-40.9	-175.3	-58.3	-51.9	0	0	0	112.3	L135 W139 A152 F157 W163 L164 V165 F175 I177 W206	L135-I161 HydrophobicContact CD2-CD1 3.68Å; W139-I161 HydrophobicContact CE3-CD1 3.81Å; W139-I161 HydrophobicContact CE3-CG1 3.85Å; W139-I161 HydrophobicContact CZ3-CD1 4.28Å; W139-I161 HydrophobicContact CZ3-CG1 3.79Å; A152-I161 HydrophobicContact CB-CD1 3.79Å; A152-I161 HydrophobicContact CB-CG1 3.8Å; F157-I161 HydrophobicContact CD1-CD1 3.83Å; F157-I161 HydrophobicContact CE1-CD1 4.26Å; F157-I161 HydrophobicContact CG-CD1 4.16Å; I161-W163 VanDerWaalsContact C-N 3.25Å; I161-W163 PolarHBondContact O-N 2.95Å; I161-L164 WeakPolarHBondContact O-CB 3.29Å; I161-L164 PolarHBondContact O-N 3.38Å; I161-V165 HydrophobicContact CG2-CG2 4.12Å; I161-V165 WeakPolarHBondContact O-CG2 3.4Å; I161-V165 PolarHBondContact O-N 3.22Å; I161-F175 HydrophobicContact CG2-CE1 4.18Å; I161-I177 HydrophobicContact CG2-CD1 3.98Å; I161-W206 HydrophobicContact CB-CD2 4.22Å; I161-W206 HydrophobicContact CB-CE3 3.95Å; I161-W206 HydrophobicContact CB-CZ3 4.29Å; I161-W206 HydrophobicContact CG1-CE3 4.45Å; I161-W206 HydrophobicContact CG1-CZ3 4.29Å; I161-W206 HydrophobicContact CG2-CD2 4.23Å; I161-W206 HydrophobicContact CG2-CE3 3.7Å; I161-W206 HydrophobicContact CG2-CZ3 4.28Å
162	L	98.3	Very high	98.5	Very high	71 Å²	71	51.9 Å²	51.9	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-57.6	-39.8	178.1	174.5	61.8	0	0	0	111.8	V165 Q166 W206	L162-V165 PolarHBondContact O-N 3Å; L162-Q166 HydrophobicContact CD1-CG 4.49Å; L162-Q166 VanDerWaalsContact O-CG 3.27Å; L162-Q166 WeakPolarHBondContact O-CG 3.46Å; L162-Q166 PolarHBondContact O-N 3.32Å; L162-Q166 VanDerWaalsContact O-N 3.08Å; L162-W206 HydrophobicContact CB-CG 4.46Å
163	W	98.7	Very high	98.5	Very high	57 Å²	57	51.2 Å²	51.2	22%	0.216	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-45.3	174.5	174.7	83.7	0	0	0	111.3	E110 V114 K159 G160 I161 V165 Q166 Q167	E110-W163 HydrophobicContact CB-CZ3 4.09Å; E110-W163 HydrophobicContact CG-CZ3 4.16Å; V114-W163 HydrophobicContact CG2-CH2 3.92Å; V114-W163 HydrophobicContact CG2-CZ3 4.08Å; K159-W163 HydrophobicContact CB-CB 3.83Å; K159-W163 HydrophobicContact CB-CD2 3.53Å; K159-W163 HydrophobicContact CB-CE3 3.65Å; K159-W163 HydrophobicContact CB-CG 3.6Å; K159-W163 HydrophobicContact CB-CZ3 4.46Å; K159-W163 HydrophobicContact CD-CD2 3.45Å; K159-W163 VanDerWaalsContact CD-CD2 3.45Å; K159-W163 HydrophobicContact CD-CE3 3.71Å; K159-W163 HydrophobicContact CD-CG 4.1Å; K159-W163 HydrophobicContact CD-CH2 3.74Å; K159-W163 HydrophobicContact CD-CZ2 3.48Å; K159-W163 VanDerWaalsContact CD-CZ2 3.48Å; K159-W163 HydrophobicContact CD-CZ3 3.85Å; K159-W163 HydrophobicContact CG-CD2 4.15Å; K159-W163 HydrophobicContact CG-CE3 4.32Å; K159-W163 HydrophobicContact CG-CG 4.47Å; K159-W163 VanDerWaalsContact NZ-CZ2 3.27Å; K159-W163 WeakPolarHBondContact O-CB 3.36Å; G160-W163 PolarHBondContact O-N 3.23Å; I161-W163 VanDerWaalsContact C-N 3.25Å; I161-W163 PolarHBondContact O-N 2.95Å; W163-V165 PolarHBondContact O-N 3.41Å; W163-Q166 WeakPolarHBondContact O-CB 3.36Å; W163-Q166 PolarHBondContact O-N 3.21Å; W163-Q166 VanDerWaalsContact O-N 3.17Å; W163-Q167 HydrophobicContact CD2-CG 3.9Å; W163-Q167 HydrophobicContact CE3-CG 4.08Å; W163-Q167 HydrophobicContact CH2-CG 3.6Å; W163-Q167 HydrophobicContact CZ2-CG 3.37Å; W163-Q167 HydrophobicContact CZ3-CG 3.94Å; W163-Q167 WeakPolarHBondContact O-CG 3.43Å; W163-Q167 PolarHBondContact O-N 3.28Å
164	L	98.8	Very high	98.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-44.3	179.1	-179.9	59.1	0	0	0	111.7	F113 V114 F157 G160 I161 Q166 Q167 V168 F175	F113-L164 HydrophobicContact CB-CD1 3.81Å; F113-L164 HydrophobicContact CB-CD2 3.92Å; F113-L164 HydrophobicContact CB-CG 4.39Å; F113-L164 HydrophobicContact CD2-CD2 4.26Å; F113-L164 HydrophobicContact CG-CD2 4.15Å; V114-L164 HydrophobicContact CG2-CD1 3.93Å; F157-L164 HydrophobicContact CD1-CD2 4.31Å; F157-L164 HydrophobicContact CE1-CD2 4.08Å; G160-L164 PolarHBondContact O-N 2.8Å; I161-L164 WeakPolarHBondContact O-CB 3.29Å; I161-L164 PolarHBondContact O-N 3.38Å; L164-Q166 VanDerWaalsContact C-N 3.28Å; L164-Q166 PolarHBondContact O-N 3.48Å; L164-Q167 PolarHBondContact O-N 3.27Å; L164-Q167 VanDerWaalsContact O-N 3.13Å; L164-V168 HydrophobicContact CD1-CG2 4.39Å; L164-V168 WeakPolarHBondContact O-CG2 3.15Å; L164-V168 PolarHBondContact O-N 3.33Å; L164-F175 HydrophobicContact CD2-CE2 3.8Å; L164-F175 HydrophobicContact CD2-CZ 3.94Å; L164-F175 HydrophobicContact CG-CE2 3.78Å; L164-F175 HydrophobicContact CG-CZ 4.26Å
165	V	98.9	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.5	-45.7	173.9	175	0	0	0	0	110.4	I161 L162 W163 Q167 V168 H169 F175 W206 N207 I208	I161-V165 HydrophobicContact CG2-CG2 4.12Å; I161-V165 WeakPolarHBondContact O-CG2 3.4Å; I161-V165 PolarHBondContact O-N 3.22Å; L162-V165 PolarHBondContact O-N 3Å; W163-V165 PolarHBondContact O-N 3.41Å; V165-Q167 PolarHBondContact O-N 2.95Å; V165-V168 PolarHBondContact O-N 3.25Å; V165-H169 VanDerWaalsContact CG1-CE1 3.46Å; V165-H169 WeakPolarHBondContact CG1-CE1 3.33Å; V165-H169 WeakPolarHBondContact O-CB 3.46Å; V165-H169 VanDerWaalsContact O-CG 3.27Å; V165-H169 PolarHBondContact O-N 3.46Å; V165-F175 HydrophobicContact CB-CB 4.48Å; V165-F175 HydrophobicContact CB-CG 4.4Å; V165-F175 HydrophobicContact CG1-CB 4.17Å; V165-F175 HydrophobicContact CG2-CB 4.13Å; V165-F175 HydrophobicContact CG2-CD1 3.46Å; V165-F175 VanDerWaalsContact CG2-CD1 3.46Å; V165-F175 HydrophobicContact CG2-CD2 4.34Å; V165-F175 HydrophobicContact CG2-CE1 3.84Å; V165-F175 HydrophobicContact CG2-CG 3.71Å; V165-F175 HydrophobicContact CG2-CZ 4.43Å; V165-W206 WeakPolarHBondContact CG1-O 3.29Å; V165-W206 WeakPolarHBondContact CG2-O 3.27Å; V165-N207 HydrophobicContact CG1-CB 4.18Å; V165-I208 HydrophobicContact CG2-CG2 4.49Å
166	Q	98.8	Very high	98.6	Very high	88 Å²	88	42.5 Å²	42.5	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-39.8	177.9	-70.6	168.3	-3.7	0	0	112.7	L162 W163 L164 V168 Q170	L162-Q166 HydrophobicContact CD1-CG 4.49Å; L162-Q166 VanDerWaalsContact O-CG 3.27Å; L162-Q166 WeakPolarHBondContact O-CG 3.46Å; L162-Q166 PolarHBondContact O-N 3.32Å; L162-Q166 VanDerWaalsContact O-N 3.08Å; W163-Q166 WeakPolarHBondContact O-CB 3.36Å; W163-Q166 PolarHBondContact O-N 3.21Å; W163-Q166 VanDerWaalsContact O-N 3.17Å; L164-Q166 VanDerWaalsContact C-N 3.28Å; L164-Q166 PolarHBondContact O-N 3.48Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; Q166-Q170 WeakPolarHBondContact O-CB 3.44Å; Q166-Q170 WeakPolarHBondContact O-CG 3.26Å; Q166-Q170 PolarHBondContact O-N 2.96Å
167	Q	98.8	Very high	98.6	Very high	52 Å²	52	42 Å²	42	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-43	175.8	-62.4	-50.5	-85.3	0	0	111.5	V114 W163 L164 V165 Q170	V114-Q167 HydrophobicContact CG2-CB 4.36Å; V114-Q167 HydrophobicContact CG2-CG 4.44Å; W163-Q167 HydrophobicContact CD2-CG 3.9Å; W163-Q167 HydrophobicContact CE3-CG 4.08Å; W163-Q167 HydrophobicContact CH2-CG 3.6Å; W163-Q167 HydrophobicContact CZ2-CG 3.37Å; W163-Q167 HydrophobicContact CZ3-CG 3.94Å; W163-Q167 WeakPolarHBondContact O-CG 3.43Å; W163-Q167 PolarHBondContact O-N 3.28Å; L164-Q167 PolarHBondContact O-N 3.27Å; L164-Q167 VanDerWaalsContact O-N 3.13Å; V165-Q167 PolarHBondContact O-N 2.95Å; Q167-Q170 PolarHBondContact O-N 3.4Å
168	V	98.8	Very high	98.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-43.7	179.7	173.8	0	0	0	0	110.9	A117 L133 L164 V165 Q166 Q170 L171 L173 F175	A117-V168 HydrophobicContact CB-CG2 4.24Å; L133-V168 HydrophobicContact CB-CG1 4.15Å; L133-V168 HydrophobicContact CD2-CG1 4.27Å; L133-V168 HydrophobicContact CD2-CG2 3.54Å; L164-V168 HydrophobicContact CD1-CG2 4.39Å; L164-V168 WeakPolarHBondContact O-CG2 3.15Å; L164-V168 PolarHBondContact O-N 3.33Å; V165-V168 PolarHBondContact O-N 3.25Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 3.2Å; V168-L171 WeakPolarHBondContact O-CB 3.3Å; V168-L171 PolarHBondContact O-N 3.31Å; V168-L171 VanDerWaalsContact O-N 3.1Å; V168-L173 HydrophobicContact CG1-CB 3.55Å; V168-L173 HydrophobicContact CG1-CD1 4.42Å; V168-L173 WeakPolarHBondContact O-CB 3.44Å; V168-L173 PolarHBondContact O-N 3.37Å; V168-F175 HydrophobicContact CB-CD2 4.15Å; V168-F175 HydrophobicContact CG1-CB 4.25Å; V168-F175 HydrophobicContact CG1-CD2 4.22Å; V168-F175 HydrophobicContact CG2-CD2 3.91Å; V168-F175 HydrophobicContact CG2-CE2 4.41Å
169	H	98.8	Very high	98.7	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.227	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-37.9	175.7	-73.7	-172.5	0	0	0	112.9	V165 L171 G172 L173 N207 D209	V165-H169 VanDerWaalsContact CG1-CE1 3.46Å; V165-H169 WeakPolarHBondContact CG1-CE1 3.33Å; V165-H169 WeakPolarHBondContact O-CB 3.46Å; V165-H169 VanDerWaalsContact O-CG 3.27Å; V165-H169 PolarHBondContact O-N 3.46Å; H169-L171 PolarHBondContact O-N 2.87Å; H169-G172 PolarHBondContact O-N 2.94Å; H169-L173 PolarHBondContact CD2-O 2.85Å; H169-L173 VanDerWaalsContact CD2-O 3.31Å; H169-N207 PolarHBondContact CE1-ND2 2.73Å; H169-N207 PolarHBondContact CE1-O 3.42Å; H169-N207 PolarHBondContact ND1-ND2 2.88Å; H169-D209 IonicContact CD2-OD2 3.64Å; H169-D209 IonicContact CE1-OD2 3.65Å; H169-D209 IonicContact NE2-OD1 3.3Å; H169-D209 IonicContact NE2-OD2 3.92Å; H169-D209 PolarHBondContact NE2-OD2 3.37Å
170	Q	98.6	Very high	98.7	Very high	147 Å²	147	32.5 Å²	32.5	69%	0.687	17%	0.172	S	C	*	.	H	α-helix	trans	-60.7	-24	175.4	-77.5	171.4	20.5	0	0	113	Q166 Q167 V168 G172	Q166-Q170 WeakPolarHBondContact O-CB 3.44Å; Q166-Q170 WeakPolarHBondContact O-CG 3.26Å; Q166-Q170 PolarHBondContact O-N 2.96Å; Q167-Q170 PolarHBondContact O-N 3.4Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 3.2Å; Q170-G172 VanDerWaalsContact C-N 3.33Å
171	L	98.6	Very high	98.7	Very high	52 Å²	52	31.3 Å²	31.3	27%	0.272	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	1.8	176.6	-68.6	173.1	0	0	0	113.7	A117 E118 V121 R126 V168 H169 L173	A117-L171 HydrophobicContact CB-CD1 3.59Å; E118-L171 HydrophobicContact CG-CD1 4.31Å; V121-L171 HydrophobicContact CG2-CB 3.98Å; V121-L171 HydrophobicContact CG2-CD2 4.41Å; R126-L171 PolarHBondContact NH1-O 2.66Å; V168-L171 WeakPolarHBondContact O-CB 3.3Å; V168-L171 PolarHBondContact O-N 3.31Å; V168-L171 VanDerWaalsContact O-N 3.1Å; H169-L171 PolarHBondContact O-N 2.87Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 HydrophobicContact CB-CD1 4.25Å; L171-L173 HydrophobicContact CB-CG 4.34Å
172	G	98.4	Very high	98.7	Very high	51 Å²	51	31 Å²	31	53%	0.526	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	23.8	-176.2	0	0	0	0	0	113.1	H169 Q170	H169-G172 PolarHBondContact O-N 2.94Å; Q170-G172 VanDerWaalsContact C-N 3.33Å
173	L	98.8	Very high	98.6	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	17%	0.168	C	C	.	.			trans	-102.2	163.2	174.9	-62.3	171.7	0	0	0	110.1	A117 L120 V121 R126 I131 V168 H169 L171	A117-L173 HydrophobicContact CB-CD1 3.81Å; L120-L173 HydrophobicContact CB-CD1 4.15Å; L120-L173 HydrophobicContact CB-CD2 4.36Å; L120-L173 HydrophobicContact CD1-CD1 4.06Å; L120-L173 HydrophobicContact CD1-CD2 4.42Å; V121-L173 HydrophobicContact CG2-CD1 4.36Å; V121-L173 HydrophobicContact CG2-CG 4.5Å; R126-L173 HydrophobicContact CB-CD2 4.02Å; R126-L173 HydrophobicContact CG-CD2 3.74Å; I131-L173 CarbonylContact O-C 3.59Å; I131-L173 WeakPolarHBondContact O-CA 3.42Å; I131-L173 WeakPolarHBondContact O-CB 3.48Å; V168-L173 HydrophobicContact CG1-CB 3.55Å; V168-L173 HydrophobicContact CG1-CD1 4.42Å; V168-L173 WeakPolarHBondContact O-CB 3.44Å; V168-L173 PolarHBondContact O-N 3.37Å; H169-L173 PolarHBondContact CD2-O 2.85Å; H169-L173 VanDerWaalsContact CD2-O 3.31Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 HydrophobicContact CB-CD1 4.25Å; L171-L173 HydrophobicContact CB-CG 4.34Å
174	K	98.8	Very high	98.6	Very high	76 Å²	76	37 Å²	37	33%	0.33	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	146	172.7	-70.1	-175.9	178.3	-176.7	0	109.6	I131 H132 L133 D209	I131-K174 HydrophobicContact CD1-CD 3.89Å; I131-K174 HydrophobicContact CD1-CG 4.38Å; I131-K174 HydrophobicContact CG1-CD 4.39Å; I131-K174 PolarHBondContact O-N 2.84Å; H132-K174 CarbonylContact C-O 3.57Å; H132-K174 WeakPolarHBondContact CA-O 3.28Å; H132-K174 VanDerWaalsContact CE1-CD 3.45Å; H132-K174 WeakPolarHBondContact CE1-CD 3.35Å; L133-K174 PolarHBondContact N-O 3.48Å; K174-D209 WeakPolarHBondContact CA-OD2 3.5Å; K174-D209 HydrophobicContact CB-CB 3.77Å; K174-D209 HydrophobicContact CD-CB 4.22Å; K174-D209 HydrophobicContact CG-CB 4.11Å
175	F	98.9	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.9	-179.3	-169	-89.3	0	0	0	111.8	L133 L135 I161 L164 V165 V168 I177 I208 D209 M210	L133-F175 WeakPolarHBondContact O-CA 3.33Å; L135-F175 HydrophobicContact CB-CE1 4.19Å; L135-F175 HydrophobicContact CB-CZ 3.71Å; L135-F175 HydrophobicContact CD2-CE1 4.49Å; L135-F175 HydrophobicContact CD2-CZ 3.97Å; I161-F175 HydrophobicContact CG2-CE1 4.18Å; L164-F175 HydrophobicContact CD2-CE2 3.8Å; L164-F175 HydrophobicContact CD2-CZ 3.94Å; L164-F175 HydrophobicContact CG-CE2 3.78Å; L164-F175 HydrophobicContact CG-CZ 4.26Å; V165-F175 HydrophobicContact CB-CB 4.48Å; V165-F175 HydrophobicContact CB-CG 4.4Å; V165-F175 HydrophobicContact CG1-CB 4.17Å; V165-F175 HydrophobicContact CG2-CB 4.13Å; V165-F175 HydrophobicContact CG2-CD1 3.46Å; V165-F175 VanDerWaalsContact CG2-CD1 3.46Å; V165-F175 HydrophobicContact CG2-CD2 4.34Å; V165-F175 HydrophobicContact CG2-CE1 3.84Å; V165-F175 HydrophobicContact CG2-CG 3.71Å; V165-F175 HydrophobicContact CG2-CZ 4.43Å; V168-F175 HydrophobicContact CB-CD2 4.15Å; V168-F175 HydrophobicContact CG1-CB 4.25Å; V168-F175 HydrophobicContact CG1-CD2 4.22Å; V168-F175 HydrophobicContact CG2-CD2 3.91Å; V168-F175 HydrophobicContact CG2-CE2 4.41Å; F175-I177 HydrophobicContact CE1-CB 4.3Å; F175-I208 HydrophobicContact CD1-CG2 4.19Å; F175-D209 PolarHBondContact N-OD2 3Å; F175-D209 PolarHBondContact O-N 3.1Å; F175-M210 PolarHBondContact O-N 3.23Å
176	G	98.9	Very high	98.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	152.4	170.4	0	0	0	0	0	113.1	L133 N134 L135 M210	L133-G176 PolarHBondContact O-N 3.27Å; N134-G176 WeakPolarHBondContact CA-O 3.34Å; N134-G176 VanDerWaalsContact OD1-CA 3.25Å; N134-G176 WeakPolarHBondContact OD1-CA 3.49Å; N134-G176 PolarHBondContact OD1-N 2.91Å; L135-G176 PolarHBondContact N-O 3.4Å; G176-M210 CarbonylContact C-O 3.32Å; G176-M210 WeakPolarHBondContact CA-O 3.4Å
177	I	98.9	Very high	98.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.4	176	-158.8	165.9	0	0	0	111.4	L135 W139 I161 F175 F203 W206 I208 M210 L211 K212	L135-I177 HydrophobicContact CD2-CG1 4.35Å; L135-I177 CarbonylContact O-C 3.56Å; W139-I177 HydrophobicContact CD2-CD1 4.39Å; W139-I177 HydrophobicContact CH2-CD1 4.06Å; W139-I177 HydrophobicContact CZ2-CD1 3.65Å; W139-I177 HydrophobicContact CZ2-CG1 4.13Å; I161-I177 HydrophobicContact CG2-CD1 3.98Å; F175-I177 HydrophobicContact CE1-CB 4.3Å; I177-F203 HydrophobicContact CD1-CD1 4.07Å; I177-F203 HydrophobicContact CD1-CE1 4.1Å; I177-F203 HydrophobicContact CG2-CB 4.45Å; I177-F203 HydrophobicContact CG2-CD1 4.07Å; I177-F203 HydrophobicContact CG2-CD2 4.4Å; I177-F203 HydrophobicContact CG2-CE1 4.46Å; I177-F203 HydrophobicContact CG2-CG 4.06Å; I177-W206 HydrophobicContact CD1-CE3 3.94Å; I177-W206 HydrophobicContact CD1-CZ3 3.76Å; I177-I208 HydrophobicContact CB-CG2 4.35Å; I177-I208 HydrophobicContact CG2-CD1 3.79Å; I177-I208 HydrophobicContact CG2-CG2 4.09Å; I177-M210 PolarHBondContact N-O 3.1Å; I177-L211 HydrophobicContact CG2-CD1 3.7Å; I177-L211 WeakPolarHBondContact O-CA 3.33Å; I177-K212 PolarHBondContact O-N 3.01Å
178	Y	98.8	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	142.9	175.4	172.9	-86.2	0	0	0	112.2	L135 D136 D137 W139 N180 T185 K212 D214	L135-Y178 VanDerWaalsContact O-CB 3.28Å; L135-Y178 WeakPolarHBondContact O-CB 3.48Å; L135-Y178 PolarHBondContact O-N 3.41Å; D136-Y178 VanDerWaalsContact C-CB 3.49Å; D136-Y178 WeakPolarHBondContact OD1-CD2 3.26Å; D137-Y178 VanDerWaalsContact CA-CD1 3.41Å; D137-Y178 HydrophobicContact CB-CD1 3.72Å; D137-Y178 HydrophobicContact CB-CE1 3.43Å; D137-Y178 VanDerWaalsContact CB-CE1 3.43Å; D137-Y178 HydrophobicContact CB-CE2 4.25Å; D137-Y178 HydrophobicContact CB-CG 4.27Å; W139-Y178 PolarHBondContact NE1-O 3.49Å; Y178-N180 HydrophobicContact CE1-CB 4.42Å; Y178-T185 HydrophobicContact CE1-CG2 3.83Å; Y178-K212 WeakPolarHBondContact CA-O 3.22Å; Y178-K212 HydrophobicContact CD2-CB 4.45Å; Y178-K212 HydrophobicContact CD2-CD 3.86Å; Y178-K212 HydrophobicContact CD2-CG 4Å; Y178-K212 HydrophobicContact CE2-CD 4.49Å; Y178-D214 HydrophobicContact CE2-CB 3.85Å; Y178-D214 VanDerWaalsContact CE2-CG 3.49Å; Y178-D214 WeakPolarHBondContact CE2-OD2 3.49Å; Y178-D214 VanDerWaalsContact OH-CB 3.32Å; Y178-D214 WeakPolarHBondContact OH-CB 3.43Å; Y178-D214 PolarHBondContact OH-OD2 3.39Å
179	S	98.6	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-171.4	156.5	-168.1	0	0	0	0	110.1	S192 K212 M213 D214	S179-S192 PolarHBondContact OG-OG 3.39Å; S179-K212 PolarHBondContact N-O 3.18Å; S179-M213 VanDerWaalsContact C-SD 3.57Å; S179-M213 VanDerWaalsContact CB-SD 3.57Å; S179-M213 WeakPolarHBondContact O-CA 3.46Å; S179-D214 PolarHBondContact O-N 3.47Å
180	N	98.8	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.2	-173.1	177.8	86.9	0	0	0	111.2	Y178 G182 R184 T185 S192 D214 G215 C216	Y178-N180 HydrophobicContact CE1-CB 4.42Å; N180-G182 WeakPolarHBondContact ND2-CA 3.45Å; N180-G182 PolarHBondContact ND2-N 3.19Å; N180-R184 PolarHBondContact ND2-O 2.81Å; N180-T185 HydrophobicContact CB-CG2 4.14Å; N180-S192 WeakPolarHBondContact O-CB 3.46Å; N180-S192 PolarHBondContact O-N 3.48Å; N180-D214 HydrophobicContact CB-CB 4.23Å; N180-D214 WeakPolarHBondContact OD1-CB 3.19Å; N180-D214 PolarHBondContact OD1-O 3.21Å; N180-G215 PolarHBondContact OD1-N 2.74Å; N180-G215 VanDerWaalsContact OD1-N 3.14Å; N180-C216 PolarHBondContact ND2-O 3.12Å; N180-C216 WeakPolarHBondContact OD1-CB 3.49Å; N180-C216 PolarHBondContact OD1-N 3.37Å; N180-C216 PolarHBondContact OD1-O 2.75Å
181	L	98.6	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-74.1	-25.6	-176.9	-67.6	177.5	0	0	0	115	R193 I196 M213 D214 A218 L226 Y227 V230	L181-R193 WeakPolarHBondContact O-CA 3.2Å; L181-R193 VanDerWaalsContact O-CB 3.23Å; L181-R193 WeakPolarHBondContact O-CB 3.12Å; L181-R193 PolarHBondContact O-N 3Å; L181-I196 HydrophobicContact CD2-CD1 4.39Å; L181-M213 HydrophobicContact CD2-CE 3.39Å; L181-M213 HydrophobicContact CG-CE 3.88Å; L181-D214 WeakPolarHBondContact CG-O 3.33Å; L181-D214 PolarHBondContact N-O 3.2Å; L181-A218 HydrophobicContact CB-CB 4.47Å; L181-L226 HydrophobicContact CB-CB 4.5Å; L181-L226 HydrophobicContact CB-CD1 4.4Å; L181-L226 HydrophobicContact CD1-CB 3.92Å; L181-L226 HydrophobicContact CD2-CB 4.02Å; L181-L226 HydrophobicContact CG-CB 4.4Å; L181-Y227 HydrophobicContact CD1-CD1 3.89Å; L181-Y227 HydrophobicContact CD1-CD2 3.31Å; L181-Y227 HydrophobicContact CD1-CE1 3.79Å; L181-Y227 HydrophobicContact CD1-CE2 3.19Å; L181-Y227 HydrophobicContact CD1-CG 3.65Å; L181-Y227 VanDerWaalsContact CD1-CZ 3.44Å; L181-Y227 HydrophobicContact CG-CE1 4.44Å; L181-Y227 HydrophobicContact CG-CE2 4.46Å; L181-V230 HydrophobicContact CD2-CG2 3.71Å
182	G	98.2	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-78.1	-179.1	176.9	0	0	0	0	0	113.3	N180 R184 G191 S192 R193 C216 F217	N180-G182 WeakPolarHBondContact ND2-CA 3.45Å; N180-G182 PolarHBondContact ND2-N 3.19Å; G182-R184 PolarHBondContact O-N 3.04Å; G182-G191 CarbonylContact O-C 3.48Å; G182-G191 VanDerWaalsContact O-C 3.24Å; G182-G191 WeakPolarHBondContact O-CA 3.46Å; G182-S192 PolarHBondContact O-N 2.97Å; G182-R193 PolarHBondContact O-N 3.45Å; G182-C216 VanDerWaalsContact CA-O 3.27Å; G182-C216 WeakPolarHBondContact CA-O 3.14Å; G182-C216 PolarHBondContact N-O 2.81Å; G182-F217 WeakPolarHBondContact CA-O 3.46Å
183	E	97.2	Very high	98.4	Very high	120 Å²	120	28.1 Å²	28.1	56%	0.561	13%	0.133	S	C	*	.	S	Bend	trans	-68.7	-24.1	-178.9	-63.2	-175.9	173.6	0	0	113	G191 R193	E183-G191 PolarHBondContact O-N 2.91Å; E183-R193 HydrophobicContact CG-CB 4.09Å; E183-R193 VanDerWaalsContact CG-CD 3.46Å; E183-R193 HydrophobicContact CG-CG 4.38Å
184	R	98.3	Very high	98.3	Very high	134 Å²	134	33.3 Å²	33.3	51%	0.506	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-132.3	149.9	176.5	-54.5	-173.5	77.6	128.2	-2	110.4	N180 G182 G188 F189 F217	N180-R184 PolarHBondContact ND2-O 2.81Å; G182-R184 PolarHBondContact O-N 3.04Å; R184-G188 PolarHBondContact NE-O 3.32Å; R184-G188 PolarHBondContact NH2-O 3.44Å; R184-F189 CarbonylContact C-O 3.6Å; R184-F189 WeakPolarHBondContact CA-O 2.97Å; R184-F189 WeakPolarHBondContact CB-O 3.44Å; R184-F217 HydrophobicContact CB-CD2 3.83Å; R184-F217 HydrophobicContact CB-CE2 4.05Å; R184-F217 HydrophobicContact CB-CG 4.2Å; R184-F217 WeakPolarHBondContact O-CD2 3.25Å
185	T	98.6	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.			trans	-66.1	168.4	167.2	73.6	0	0	0	0	110.5	D137 Y178 N180 Q187 G188 F189 F217	D137-T185 VanDerWaalsContact CG-OG1 3.31Å; D137-T185 WeakPolarHBondContact OD1-CB 3.49Å; D137-T185 PolarHBondContact OD1-OG1 3.14Å; D137-T185 WeakPolarHBondContact OD2-CB 3.28Å; D137-T185 PolarHBondContact OD2-OG1 2.93Å; D137-T185 VanDerWaalsContact OD2-OG1 3.1Å; Y178-T185 HydrophobicContact CE1-CG2 3.83Å; N180-T185 HydrophobicContact CB-CG2 4.14Å; T185-Q187 PolarHBondContact O-N 3.01Å; T185-Q187 PolarHBondContact OG1-N 2.95Å; T185-G188 WeakPolarHBondContact O-CA 3.44Å; T185-G188 PolarHBondContact O-N 2.85Å; T185-G188 PolarHBondContact OG1-N 3.19Å; T185-F189 HydrophobicContact CG2-CB 3.92Å; T185-F189 PolarHBondContact N-O 2.87Å; T185-F189 WeakPolarHBondContact OG1-CB 3.45Å; T185-F189 PolarHBondContact OG1-N 2.85Å; T185-F217 WeakPolarHBondContact O-CE2 3.22Å
186	C	98.1	Very high	98.3	Very high	38 Å²	38	32.1 Å²	32.1	26%	0.257	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.5	178.5	-59.8	0	0	0	0	112.6	D137 D214 C216 Y250	D137-C186 PolarHBondContact OD2-N 3.19Å; C186-D214 PolarHBondContact SG-OD2 3.05Å; C186-D214 VanDerWaalsContact SG-OD2 3.35Å; C186-C216 VanDerWaalsContact CA-SG 3.52Å; C186-C216 HydrophobicContact CB-CB 3.93Å; C186-C216 WeakPolarHBondContact CB-SG 3.44Å; C186-C216 WeakPolarHBondContact SG-CB 3.23Å; C186-C216 CovalentContact SG-SG 2.04Å; C186-C216 PolarHBondContact SG-SG 3.26Å; C186-Y250 PolarHBondContact SG-OH 3.35Å
187	Q	98.1	Very high	98.3	Very high	95 Å²	95	35.3 Å²	35.3	44%	0.444	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	6.5	173.5	-61.5	-60.6	-54.5	0	0	114.4	W91 C96 D137 C138 T185 F189	W91-Q187 HydrophobicContact CH2-CG 3.54Å; W91-Q187 HydrophobicContact CZ3-CG 4.09Å; C96-Q187 HydrophobicContact CB-CG 3.93Å; D137-Q187 WeakPolarHBondContact OD2-CB 3.15Å; D137-Q187 WeakPolarHBondContact OD2-CG 3.09Å; D137-Q187 PolarHBondContact OD2-N 3.47Å; C138-Q187 WeakPolarHBondContact SG-CB 3.43Å; C138-Q187 WeakPolarHBondContact SG-CG 3.39Å; T185-Q187 PolarHBondContact O-N 3.01Å; T185-Q187 PolarHBondContact OG1-N 2.95Å; Q187-F189 HydrophobicContact CB-CD2 4.03Å; Q187-F189 HydrophobicContact CB-CE2 4.08Å
188	G	98.1	Very high	98.3	Very high	16 Å²	16	38.2 Å²	38.2	17%	0.165	18%	0.184	C	C	.	.	S	Bend	trans	88.1	11	172.3	0	0	0	0	0	115	R184 T185	R184-G188 PolarHBondContact NE-O 3.32Å; R184-G188 PolarHBondContact NH2-O 3.44Å; T185-G188 WeakPolarHBondContact O-CA 3.44Å; T185-G188 PolarHBondContact O-N 2.85Å; T185-G188 PolarHBondContact OG1-N 3.19Å
189	F	98.6	Very high	98.3	Very high	23 Å²	23	38.2 Å²	38.2	10%	0.101	18%	0.184	C	C	.	.	S	Bend	trans	-75.1	167.7	171.3	-67.9	-87.3	0	0	0	111.2	T98 C138 E140 R184 T185 Q187 G191	T98-F189 HydrophobicContact CG2-CZ 4.22Å; C138-F189 HydrophobicContact CB-CD2 4.25Å; C138-F189 HydrophobicContact CB-CE2 3.67Å; C138-F189 HydrophobicContact CB-CZ 4.15Å; C138-F189 WeakPolarHBondContact SG-CE2 3.46Å; E140-F189 HydrophobicContact CB-CB 3.89Å; E140-F189 HydrophobicContact CB-CD1 3.98Å; E140-F189 HydrophobicContact CB-CG 4.17Å; E140-F189 HydrophobicContact CG-CB 4.27Å; E140-F189 WeakPolarHBondContact O-CD1 3.17Å; E140-F189 WeakPolarHBondContact O-CE1 3.22Å; R184-F189 CarbonylContact C-O 3.6Å; R184-F189 WeakPolarHBondContact CA-O 2.97Å; R184-F189 WeakPolarHBondContact CB-O 3.44Å; T185-F189 HydrophobicContact CG2-CB 3.92Å; T185-F189 PolarHBondContact N-O 2.87Å; T185-F189 WeakPolarHBondContact OG1-CB 3.45Å; T185-F189 PolarHBondContact OG1-N 2.85Å; Q187-F189 HydrophobicContact CB-CD2 4.03Å; Q187-F189 HydrophobicContact CB-CE2 4.08Å; F189-G191 PolarHBondContact O-N 3.3Å
190	P	98.6	Very high	98.3	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.104	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-59.6	123	178.7	-23.9	34.5	0	0	0	112.4	N141 R144 L150	N141-P190 WeakPolarHBondContact O-CD 3.5Å; R144-P190 HydrophobicContact CG-CB 3.96Å; R144-P190 HydrophobicContact CG-CG 4.41Å; L150-P190 HydrophobicContact CD1-CB 3.89Å; L150-P190 HydrophobicContact CD1-CG 4.48Å
191	G	98.5	Very high	98.3	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.031	20%	0.2	C	C	.	.			trans	-94.2	174	173.9	0	0	0	0	0	112.5	R144 G182 E183 F189	R144-G191 PolarHBondContact NH2-O 2.9Å; G182-G191 CarbonylContact O-C 3.48Å; G182-G191 VanDerWaalsContact O-C 3.24Å; G182-G191 WeakPolarHBondContact O-CA 3.46Å; E183-G191 PolarHBondContact O-N 2.91Å; F189-G191 PolarHBondContact O-N 3.3Å
192	S	98.6	Very high	98.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	21%	0.208	C	C	.	.	S	Bend	trans	-90.2	-2.6	-168.1	-65.1	0	0	0	0	115.2	S179 N180 G182 N194 H195 I196 D199	S179-S192 PolarHBondContact OG-OG 3.39Å; N180-S192 WeakPolarHBondContact O-CB 3.46Å; N180-S192 PolarHBondContact O-N 3.48Å; G182-S192 PolarHBondContact O-N 2.97Å; S192-N194 VanDerWaalsContact C-N 3.34Å; S192-N194 PolarHBondContact O-N 3.21Å; S192-H195 CarbonylContact O-C 3.47Å; S192-H195 VanDerWaalsContact O-C 3.32Å; S192-H195 WeakPolarHBondContact O-CA 3.48Å; S192-H195 PolarHBondContact O-N 3.35Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.5Å; S192-I196 PolarHBondContact O-N 2.87Å; S192-D199 WeakPolarHBondContact CA-OD2 3.43Å; S192-D199 WeakPolarHBondContact CB-OD2 2.97Å; S192-D199 PolarHBondContact OG-OD2 3.29Å
193	R	97.5	Very high	98.3	Very high	59 Å²	59	42.2 Å²	42.2	22%	0.223	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.5	-53.4	-168.6	-174.2	178	175	77.2	2.5	115.6	L181 G182 E183 E222	L181-R193 WeakPolarHBondContact O-CA 3.2Å; L181-R193 VanDerWaalsContact O-CB 3.23Å; L181-R193 WeakPolarHBondContact O-CB 3.12Å; L181-R193 PolarHBondContact O-N 3Å; G182-R193 PolarHBondContact O-N 3.45Å; E183-R193 HydrophobicContact CG-CB 4.09Å; E183-R193 VanDerWaalsContact CG-CD 3.46Å; E183-R193 HydrophobicContact CG-CG 4.38Å; R193-E222 IonicContact CZ-OE1 2.74Å; R193-E222 IonicContact CZ-OE2 3.49Å; R193-E222 VanDerWaalsContact NH1-CD 3.31Å; R193-E222 IonicContact NH1-OE1 3.6Å; R193-E222 PolarHBondContact NH1-OE1 3.4Å; R193-E222 VanDerWaalsContact NH1-OE1 3.11Å; R193-E222 IonicContact NH1-OE2 3.39Å; R193-E222 PolarHBondContact NH1-OE2 2.87Å; R193-E222 IonicContact NH2-OE1 3.64Å; R193-E222 PolarHBondContact NH2-OE1 2.9Å; R193-E222 IonicContact NH2-OE2 3.37Å
194	N	96.9	Very high	98.4	Very high	115 Å²	115	37.8 Å²	37.8	62%	0.615	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	6.4	-176.4	-59.5	-37.1	0	0	0	113.3	S192	S192-N194 VanDerWaalsContact C-N 3.34Å; S192-N194 PolarHBondContact O-N 3.21Å
195	H	98.3	Very high	98.4	Very high	50 Å²	50	35.1 Å²	35.1	23%	0.231	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	19.7	-172.3	-57.3	88.7	0	0	0	112.3	S192 E197 Q198 D199	S192-H195 CarbonylContact O-C 3.47Å; S192-H195 VanDerWaalsContact O-C 3.32Å; S192-H195 WeakPolarHBondContact O-CA 3.48Å; S192-H195 PolarHBondContact O-N 3.35Å; H195-E197 PolarHBondContact O-N 2.86Å; H195-Q198 HydrophobicContact CB-CB 4.44Å; H195-Q198 PolarHBondContact CD2-OE1 2.83Å; H195-Q198 PolarHBondContact O-N 2.97Å; H195-Q198 VanDerWaalsContact O-N 3.1Å; H195-D199 WeakPolarHBondContact CB-OD2 3.01Å; H195-D199 WeakPolarHBondContact O-CB 3.02Å; H195-D199 PolarHBondContact O-N 2.84Å
196	I	98.5	Very high	98.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-50.3	-54.4	-172.1	-70.8	-178.8	0	0	0	111.9	L181 S192 Q198 D199 V200 L226 R229 V230	L181-I196 HydrophobicContact CD2-CD1 4.39Å; S192-I196 VanDerWaalsContact O-CG1 3.26Å; S192-I196 WeakPolarHBondContact O-CG1 3.5Å; S192-I196 PolarHBondContact O-N 2.87Å; I196-Q198 PolarHBondContact O-N 2.86Å; I196-D199 PolarHBondContact O-N 2.75Å; I196-V200 HydrophobicContact CG2-CG2 4.46Å; I196-V200 WeakPolarHBondContact O-CB 3.45Å; I196-V200 WeakPolarHBondContact O-CG2 3.28Å; I196-V200 PolarHBondContact O-N 2.83Å; I196-L226 HydrophobicContact CD1-CB 4.4Å; I196-L226 HydrophobicContact CD1-CD2 3.86Å; I196-R229 HydrophobicContact CG2-CB 4.31Å; I196-V230 HydrophobicContact CD1-CG2 4.47Å; I196-V230 HydrophobicContact CG2-CG2 3.66Å
197	E	98.5	Very high	98.4	Very high	68 Å²	68	38.1 Å²	38.1	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-67.2	-39.6	-176.8	-66	73.9	-164.2	0	0	111.3	H195 D201 R229 R233	H195-E197 PolarHBondContact O-N 2.86Å; E197-D201 VanDerWaalsContact O-CB 3.29Å; E197-D201 WeakPolarHBondContact O-CB 3.5Å; E197-D201 PolarHBondContact O-N 3.33Å; E197-R229 IonicContact OE1-CZ 3.31Å; E197-R229 VanDerWaalsContact OE1-CZ 3.27Å; E197-R229 IonicContact OE1-NE 3.01Å; E197-R229 PolarHBondContact OE1-NE 2.77Å; E197-R229 IonicContact OE1-NH2 3.57Å; E197-R229 PolarHBondContact OE1-NH2 3.06Å; E197-R229 IonicContact OE2-CZ 2.8Å; E197-R229 IonicContact OE2-NH2 3.76Å; E197-R229 PolarHBondContact OE2-NH2 2.93Å; E197-R233 HydrophobicContact CG-CG 4.48Å
198	Q	98.6	Very high	98.4	Very high	63 Å²	63	33.6 Å²	33.6	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-63.4	-44.1	177.9	178.4	173.8	2.7	0	0	112.1	K147 N149 H195 I196 D201 A202	K147-Q198 PolarHBondContact O-NE2 3.46Å; N149-Q198 PolarHBondContact OD1-NE2 2.93Å; H195-Q198 HydrophobicContact CB-CB 4.44Å; H195-Q198 PolarHBondContact CD2-OE1 2.83Å; H195-Q198 PolarHBondContact O-N 2.97Å; H195-Q198 VanDerWaalsContact O-N 3.1Å; I196-Q198 PolarHBondContact O-N 2.86Å; Q198-D201 PolarHBondContact O-N 2.81Å; Q198-A202 PolarHBondContact O-N 2.96Å
199	D	98.8	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72	-42.8	-179.4	-66.8	-25.6	0	0	0	111.1	R144 S192 H195 I196 D201 A202 F203	R144-D199 IonicContact CZ-OD1 3.11Å; R144-D199 IonicContact CZ-OD2 3.61Å; R144-D199 IonicContact NH1-OD1 2.81Å; R144-D199 PolarHBondContact NH1-OD1 3.05Å; R144-D199 IonicContact NH1-OD2 2.85Å; R144-D199 PolarHBondContact NH1-OD2 2.86Å; R144-D199 IonicContact NH2-OD1 2.68Å; R144-D199 IonicContact NH2-OD2 2.7Å; R144-D199 PolarHBondContact NH2-OD2 3.36Å; S192-D199 WeakPolarHBondContact CA-OD2 3.43Å; S192-D199 WeakPolarHBondContact CB-OD2 2.97Å; S192-D199 PolarHBondContact OG-OD2 3.29Å; H195-D199 WeakPolarHBondContact CB-OD2 3.01Å; H195-D199 WeakPolarHBondContact O-CB 3.02Å; H195-D199 PolarHBondContact O-N 2.84Å; I196-D199 PolarHBondContact O-N 2.75Å; D199-D201 VanDerWaalsContact C-N 3.28Å; D199-D201 PolarHBondContact O-N 3.24Å; D199-A202 WeakPolarHBondContact O-CB 3.44Å; D199-A202 PolarHBondContact O-N 2.93Å; D199-A202 VanDerWaalsContact O-N 3.16Å; D199-F203 HydrophobicContact CB-CE2 3.99Å; D199-F203 HydrophobicContact CB-CZ 4.03Å; D199-F203 WeakPolarHBondContact O-CD1 3.48Å; D199-F203 WeakPolarHBondContact O-CD2 3.37Å; D199-F203 WeakPolarHBondContact O-CG 3.29Å; D199-F203 PolarHBondContact O-N 2.89Å
200	V	98.8	Very high	98.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-40.2	174.1	174.6	0	0	0	0	110.9	I196 F203 V204 L211 V230 R233 L234	I196-V200 HydrophobicContact CG2-CG2 4.46Å; I196-V200 WeakPolarHBondContact O-CB 3.45Å; I196-V200 WeakPolarHBondContact O-CG2 3.28Å; I196-V200 PolarHBondContact O-N 2.83Å; V200-F203 PolarHBondContact O-N 2.97Å; V200-V204 HydrophobicContact CG1-CG2 4.27Å; V200-V204 WeakPolarHBondContact O-CB 3.48Å; V200-V204 VanDerWaalsContact O-CG2 3.22Å; V200-V204 WeakPolarHBondContact O-CG2 3.2Å; V200-V204 PolarHBondContact O-N 3.24Å; V200-L211 HydrophobicContact CG2-CD2 4.39Å; V200-V230 HydrophobicContact CG2-CG1 4.13Å; V200-R233 HydrophobicContact CB-CB 4.35Å; V200-R233 HydrophobicContact CB-CG 3.8Å; V200-R233 HydrophobicContact CG1-CB 3.93Å; V200-R233 HydrophobicContact CG1-CG 3.49Å; V200-R233 VanDerWaalsContact CG1-CG 3.49Å; V200-L234 HydrophobicContact CG1-CD2 3.77Å; V200-L234 HydrophobicContact CG1-CG 4.19Å
201	D	98.6	Very high	98.5	Very high	60 Å²	60	32.5 Å²	32.5	32%	0.321	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-40.8	174.7	-73.5	-19.5	0	0	0	112.5	E197 Q198 D199 V204 S205 R233	E197-D201 VanDerWaalsContact O-CB 3.29Å; E197-D201 WeakPolarHBondContact O-CB 3.5Å; E197-D201 PolarHBondContact O-N 3.33Å; Q198-D201 PolarHBondContact O-N 2.81Å; D199-D201 VanDerWaalsContact C-N 3.28Å; D199-D201 PolarHBondContact O-N 3.24Å; D201-V204 PolarHBondContact O-N 2.79Å; D201-S205 WeakPolarHBondContact O-CB 3.37Å; D201-S205 PolarHBondContact O-N 2.85Å; D201-R233 IonicContact OD1-CZ 3.68Å; D201-R233 IonicContact OD1-NE 3.02Å; D201-R233 PolarHBondContact OD1-NE 3.09Å; D201-R233 IonicContact OD1-NH2 2.79Å; D201-R233 PolarHBondContact OD1-NH2 3.35Å; D201-R233 IonicContact OD2-CZ 3.58Å; D201-R233 IonicContact OD2-NE 3.47Å; D201-R233 IonicContact OD2-NH2 3.99Å; D201-R233 PolarHBondContact OD2-NH2 2.9Å
202	A	98.6	Very high	98.5	Very high	19 Å²	19	33.4 Å²	33.4	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-47.9	173.7	0	0	0	0	0	110.8	Q198 D199 V204 S205 W206	Q198-A202 PolarHBondContact O-N 2.96Å; D199-A202 WeakPolarHBondContact O-CB 3.44Å; D199-A202 PolarHBondContact O-N 2.93Å; D199-A202 VanDerWaalsContact O-N 3.16Å; A202-V204 PolarHBondContact O-N 2.84Å; A202-S205 WeakPolarHBondContact O-CB 3.3Å; A202-S205 PolarHBondContact O-N 3.15Å; A202-S205 VanDerWaalsContact O-N 3.14Å; A202-S205 PolarHBondContact O-OG 2.76Å; A202-W206 HydrophobicContact CB-CH2 4.35Å; A202-W206 HydrophobicContact CB-CZ2 4.04Å; A202-W206 VanDerWaalsContact O-CG 3.24Å; A202-W206 PolarHBondContact O-N 3.14Å
203	F	98.7	Very high	98.5	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-45.6	178.3	-55.7	-31.5	0	0	0	112.3	W139 L150 I177 D199 V200 S205 W206 N207 I208 L211	W139-F203 HydrophobicContact CH2-CE1 4.23Å; W139-F203 AromaticContact CZ2-CE1 3.98Å; W139-F203 HydrophobicContact CZ2-CE1 3.98Å; L150-F203 HydrophobicContact CD2-CE1 4.05Å; L150-F203 HydrophobicContact CD2-CZ 3.89Å; I177-F203 HydrophobicContact CD1-CD1 4.07Å; I177-F203 HydrophobicContact CD1-CE1 4.1Å; I177-F203 HydrophobicContact CG2-CB 4.45Å; I177-F203 HydrophobicContact CG2-CD1 4.07Å; I177-F203 HydrophobicContact CG2-CD2 4.4Å; I177-F203 HydrophobicContact CG2-CE1 4.46Å; I177-F203 HydrophobicContact CG2-CG 4.06Å; D199-F203 HydrophobicContact CB-CE2 3.99Å; D199-F203 HydrophobicContact CB-CZ 4.03Å; D199-F203 WeakPolarHBondContact O-CD1 3.48Å; D199-F203 WeakPolarHBondContact O-CD2 3.37Å; D199-F203 WeakPolarHBondContact O-CG 3.29Å; D199-F203 PolarHBondContact O-N 2.89Å; V200-F203 PolarHBondContact O-N 2.97Å; F203-S205 VanDerWaalsContact C-N 3.29Å; F203-S205 PolarHBondContact O-N 3.48Å; F203-W206 AromaticContact CD1-CE3 3.75Å; F203-W206 HydrophobicContact CD1-CE3 3.75Å; F203-W206 HydrophobicContact CD1-CH2 4.28Å; F203-W206 AromaticContact CD1-CZ3 3.46Å; F203-W206 HydrophobicContact CD1-CZ3 3.46Å; F203-W206 VanDerWaalsContact CD1-CZ3 3.46Å; F203-W206 HydrophobicContact CE1-CE3 4.4Å; F203-W206 HydrophobicContact CE1-CH2 4.28Å; F203-W206 AromaticContact CE1-CZ3 3.67Å; F203-W206 HydrophobicContact CE1-CZ3 3.67Å; F203-W206 PolarHBondContact O-N 2.84Å; F203-W206 VanDerWaalsContact O-N 3.08Å; F203-N207 PolarHBondContact O-N 3.42Å; F203-I208 HydrophobicContact CB-CD1 3.65Å; F203-I208 HydrophobicContact CB-CG1 4.12Å; F203-I208 HydrophobicContact CG-CD1 4.5Å; F203-I208 WeakPolarHBondContact O-CG1 3.39Å; F203-L211 HydrophobicContact CD2-CD1 3.7Å; F203-L211 HydrophobicContact CD2-CD2 4.3Å; F203-L211 HydrophobicContact CE2-CD1 3.84Å
204	V	98.6	Very high	98.5	Very high	28 Å²	28	30.9 Å²	30.9	17%	0.17	17%	0.165	C	C	.	.	H	α-helix	trans	-56.8	-44.4	173.8	164.3	0	0	0	0	110.7	V200 D201 A202 W206 N207 I241	V200-V204 HydrophobicContact CG1-CG2 4.27Å; V200-V204 WeakPolarHBondContact O-CB 3.48Å; V200-V204 VanDerWaalsContact O-CG2 3.22Å; V200-V204 WeakPolarHBondContact O-CG2 3.2Å; V200-V204 PolarHBondContact O-N 3.24Å; D201-V204 PolarHBondContact O-N 2.79Å; A202-V204 PolarHBondContact O-N 2.84Å; V204-W206 PolarHBondContact O-N 2.9Å; V204-N207 PolarHBondContact O-N 2.91Å; V204-N207 VanDerWaalsContact O-N 3.09Å; V204-I241 HydrophobicContact CG2-CD1 3.75Å
205	S	98.3	Very high	98.6	Very high	77 Å²	77	25.4 Å²	25.4	54%	0.538	14%	0.135	S	C	.	.	H	α-helix	trans	-65.4	-27.7	178	83.8	0	0	0	0	113.1	D201 A202 F203 N207	D201-S205 WeakPolarHBondContact O-CB 3.37Å; D201-S205 PolarHBondContact O-N 2.85Å; A202-S205 WeakPolarHBondContact O-CB 3.3Å; A202-S205 PolarHBondContact O-N 3.15Å; A202-S205 VanDerWaalsContact O-N 3.14Å; A202-S205 PolarHBondContact O-OG 2.76Å; F203-S205 VanDerWaalsContact C-N 3.29Å; F203-S205 PolarHBondContact O-N 3.48Å; S205-N207 PolarHBondContact O-N 2.92Å
206	W	98.6	Very high	98.6	Very high	43 Å²	43	24.1 Å²	24.1	16%	0.163	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.8	175.3	-59.7	-18.9	0	0	0	113.8	W139 I161 L162 V165 I177 A202 F203 V204 I208	W139-W206 AromaticContact CH2-CH2 3.73Å; W139-W206 HydrophobicContact CH2-CH2 3.73Å; W139-W206 AromaticContact CH2-CZ3 3.61Å; W139-W206 HydrophobicContact CH2-CZ3 3.61Å; W139-W206 HydrophobicContact CZ2-CZ3 4.37Å; W139-W206 HydrophobicContact CZ3-CH2 4.13Å; W139-W206 HydrophobicContact CZ3-CZ3 4.1Å; I161-W206 HydrophobicContact CB-CD2 4.22Å; I161-W206 HydrophobicContact CB-CE3 3.95Å; I161-W206 HydrophobicContact CB-CZ3 4.29Å; I161-W206 HydrophobicContact CG1-CE3 4.45Å; I161-W206 HydrophobicContact CG1-CZ3 4.29Å; I161-W206 HydrophobicContact CG2-CD2 4.23Å; I161-W206 HydrophobicContact CG2-CE3 3.7Å; I161-W206 HydrophobicContact CG2-CZ3 4.28Å; L162-W206 HydrophobicContact CB-CG 4.46Å; V165-W206 WeakPolarHBondContact CG1-O 3.29Å; V165-W206 WeakPolarHBondContact CG2-O 3.27Å; I177-W206 HydrophobicContact CD1-CE3 3.94Å; I177-W206 HydrophobicContact CD1-CZ3 3.76Å; A202-W206 HydrophobicContact CB-CH2 4.35Å; A202-W206 HydrophobicContact CB-CZ2 4.04Å; A202-W206 VanDerWaalsContact O-CG 3.24Å; A202-W206 PolarHBondContact O-N 3.14Å; F203-W206 AromaticContact CD1-CE3 3.75Å; F203-W206 HydrophobicContact CD1-CE3 3.75Å; F203-W206 HydrophobicContact CD1-CH2 4.28Å; F203-W206 AromaticContact CD1-CZ3 3.46Å; F203-W206 HydrophobicContact CD1-CZ3 3.46Å; F203-W206 VanDerWaalsContact CD1-CZ3 3.46Å; F203-W206 HydrophobicContact CE1-CE3 4.4Å; F203-W206 HydrophobicContact CE1-CH2 4.28Å; F203-W206 AromaticContact CE1-CZ3 3.67Å; F203-W206 HydrophobicContact CE1-CZ3 3.67Å; F203-W206 PolarHBondContact O-N 2.84Å; F203-W206 VanDerWaalsContact O-N 3.08Å; V204-W206 PolarHBondContact O-N 2.9Å; W206-I208 HydrophobicContact CB-CG2 4.48Å
207	N	98.2	Very high	98.6	Very high	58 Å²	58	30 Å²	30	31%	0.31	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	30.7	175.4	-158.9	51.3	0	0	0	113.6	V165 H169 F203 V204 S205 R239	V165-N207 HydrophobicContact CG1-CB 4.18Å; H169-N207 PolarHBondContact CE1-ND2 2.73Å; H169-N207 PolarHBondContact CE1-O 3.42Å; H169-N207 PolarHBondContact ND1-ND2 2.88Å; F203-N207 PolarHBondContact O-N 3.42Å; V204-N207 PolarHBondContact O-N 2.91Å; V204-N207 VanDerWaalsContact O-N 3.09Å; S205-N207 PolarHBondContact O-N 2.92Å; N207-R239 PolarHBondContact O-NH2 2.87Å; N207-R239 PolarHBondContact OD1-NH1 3.44Å; N207-R239 PolarHBondContact OD1-NH2 3.44Å
208	I	98.7	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.			trans	-64.2	160	177.2	68.2	158.9	0	0	0	112.5	V165 F175 I177 F203 W206 L211 R239 I241	V165-I208 HydrophobicContact CG2-CG2 4.49Å; F175-I208 HydrophobicContact CD1-CG2 4.19Å; I177-I208 HydrophobicContact CB-CG2 4.35Å; I177-I208 HydrophobicContact CG2-CD1 3.79Å; I177-I208 HydrophobicContact CG2-CG2 4.09Å; F203-I208 HydrophobicContact CB-CD1 3.65Å; F203-I208 HydrophobicContact CB-CG1 4.12Å; F203-I208 HydrophobicContact CG-CD1 4.5Å; F203-I208 WeakPolarHBondContact O-CG1 3.39Å; W206-I208 HydrophobicContact CB-CG2 4.48Å; I208-L211 HydrophobicContact CD1-CB 4.08Å; I208-R239 PolarHBondContact O-NH2 2.85Å; I208-I241 HydrophobicContact CD1-CD1 4.5Å; I208-I241 HydrophobicContact CD1-CG2 3.99Å; I208-I241 HydrophobicContact CG1-CD1 4.15Å; I208-I241 HydrophobicContact CG1-CG2 4.36Å
209	D	98.8	Very high	98.5	Very high	29 Å²	29	27.6 Å²	27.6	16%	0.155	15%	0.15	C	C	.	.	S	Bend	trans	-115.7	-14.7	176.5	-54.2	-78.6	0	0	0	113	H169 K174 F175 I241 L242	H169-D209 IonicContact CD2-OD2 3.64Å; H169-D209 IonicContact CE1-OD2 3.65Å; H169-D209 IonicContact NE2-OD1 3.3Å; H169-D209 IonicContact NE2-OD2 3.92Å; H169-D209 PolarHBondContact NE2-OD2 3.37Å; K174-D209 WeakPolarHBondContact CA-OD2 3.5Å; K174-D209 HydrophobicContact CB-CB 3.77Å; K174-D209 HydrophobicContact CD-CB 4.22Å; K174-D209 HydrophobicContact CG-CB 4.11Å; F175-D209 PolarHBondContact N-OD2 3Å; F175-D209 PolarHBondContact O-N 3.1Å; D209-I241 WeakPolarHBondContact O-CA 3.35Å; D209-L242 PolarHBondContact O-N 3.35Å
210	M	98.8	Very high	98.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	138.3	-180	-180	175.2	174.9	0	0	111	F175 G176 I177 L242 T270 F340	F175-M210 PolarHBondContact O-N 3.23Å; G176-M210 CarbonylContact C-O 3.32Å; G176-M210 WeakPolarHBondContact CA-O 3.4Å; I177-M210 PolarHBondContact N-O 3.1Å; M210-L242 CarbonylContact C-O 3.57Å; M210-L242 VanDerWaalsContact CA-O 3.23Å; M210-L242 WeakPolarHBondContact CA-O 3.1Å; M210-L242 HydrophobicContact CB-CB 4.15Å; M210-L242 HydrophobicContact CE-CD2 3.86Å; M210-L242 HydrophobicContact CG-CB 4.09Å; M210-L242 HydrophobicContact CG-CD2 3.92Å; M210-L242 WeakPolarHBondContact CG-O 3.48Å; M210-L242 HydrophobicContact SD-CD2 3.97Å; M210-T270 HydrophobicContact CE-CG2 4.48Å; M210-F340 HydrophobicContact CE-CE1 4.47Å; M210-F340 HydrophobicContact CE-CE2 3.96Å; M210-F340 HydrophobicContact CE-CZ 3.61Å; M210-F340 HydrophobicContact SD-CE1 4.27Å; M210-F340 HydrophobicContact SD-CZ 3.75Å
211	L	98.9	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.6	171.9	-179.9	63.5	0	0	0	108.9	I177 V200 F203 I208 M213 V230 L234 I241 L242 F243 S244	I177-L211 HydrophobicContact CG2-CD1 3.7Å; I177-L211 WeakPolarHBondContact O-CA 3.33Å; V200-L211 HydrophobicContact CG2-CD2 4.39Å; F203-L211 HydrophobicContact CD2-CD1 3.7Å; F203-L211 HydrophobicContact CD2-CD2 4.3Å; F203-L211 HydrophobicContact CE2-CD1 3.84Å; I208-L211 HydrophobicContact CD1-CB 4.08Å; L211-M213 HydrophobicContact CD1-SD 4.24Å; L211-M213 HydrophobicContact CD2-CG 3.95Å; L211-M213 HydrophobicContact CD2-SD 4.16Å; L211-M213 HydrophobicContact CG-CG 3.98Å; L211-M213 HydrophobicContact CG-SD 4.26Å; L211-V230 HydrophobicContact CD2-CG1 3.75Å; L211-L234 HydrophobicContact CB-CD1 4.41Å; L211-L234 HydrophobicContact CD2-CD1 4.08Å; L211-L234 HydrophobicContact CD2-CD2 4.18Å; L211-L234 HydrophobicContact CD2-CG 4.44Å; L211-I241 HydrophobicContact CB-CG2 4.21Å; L211-L242 PolarHBondContact N-O 3.02Å; L211-F243 HydrophobicContact CD2-CE2 4.5Å; L211-S244 PolarHBondContact O-N 3.48Å
212	K	98.8	Very high	98.3	Very high	21 Å²	21	35.5 Å²	35.5	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.8	166.7	177.6	179.6	168.4	-158.7	0	108.6	D136 I177 Y178 S179 S244	D136-K212 IonicContact OD1-NZ 3.78Å; D136-K212 PolarHBondContact OD1-NZ 2.9Å; D136-K212 IonicContact OD2-NZ 2.75Å; D136-K212 PolarHBondContact OD2-NZ 2.69Å; I177-K212 PolarHBondContact O-N 3.01Å; Y178-K212 WeakPolarHBondContact CA-O 3.22Å; Y178-K212 HydrophobicContact CD2-CB 4.45Å; Y178-K212 HydrophobicContact CD2-CD 3.86Å; Y178-K212 HydrophobicContact CD2-CG 4Å; Y178-K212 HydrophobicContact CE2-CD 4.49Å; S179-K212 PolarHBondContact N-O 3.18Å; K212-S244 CarbonylContact C-O 3.54Å; K212-S244 WeakPolarHBondContact CA-O 3.26Å
213	M	98.8	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.9	174.1	-71	-63.3	-74.9	0	0	111.6	S179 L181 L211 Y227 V230 F243 S244 S246	S179-M213 VanDerWaalsContact C-SD 3.57Å; S179-M213 VanDerWaalsContact CB-SD 3.57Å; S179-M213 WeakPolarHBondContact O-CA 3.46Å; L181-M213 HydrophobicContact CD2-CE 3.39Å; L181-M213 HydrophobicContact CG-CE 3.88Å; L211-M213 HydrophobicContact CD1-SD 4.24Å; L211-M213 HydrophobicContact CD2-CG 3.95Å; L211-M213 HydrophobicContact CD2-SD 4.16Å; L211-M213 HydrophobicContact CG-CG 3.98Å; L211-M213 HydrophobicContact CG-SD 4.26Å; M213-Y227 HydrophobicContact CB-CD1 4.47Å; M213-Y227 HydrophobicContact CB-CE1 3.84Å; M213-Y227 PolarHBondContact O-OH 3.38Å; M213-Y227 VanDerWaalsContact O-OH 3.06Å; M213-V230 HydrophobicContact CE-CG2 4.1Å; M213-V230 HydrophobicContact CG-CG1 4.2Å; M213-F243 HydrophobicContact CB-CE2 3.75Å; M213-F243 HydrophobicContact CB-CZ 4.22Å; M213-F243 HydrophobicContact CG-CE2 3.5Å; M213-F243 HydrophobicContact CG-CZ 4.05Å; M213-S244 PolarHBondContact N-O 2.83Å; M213-S246 PolarHBondContact O-N 2.8Å
214	D	98.7	Very high	98.3	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	175.4	167	-89.6	-6.3	0	0	0	112.2	Y178 S179 N180 L181 C186 S246 Y250 R272	Y178-D214 HydrophobicContact CE2-CB 3.85Å; Y178-D214 VanDerWaalsContact CE2-CG 3.49Å; Y178-D214 WeakPolarHBondContact CE2-OD2 3.49Å; Y178-D214 VanDerWaalsContact OH-CB 3.32Å; Y178-D214 WeakPolarHBondContact OH-CB 3.43Å; Y178-D214 PolarHBondContact OH-OD2 3.39Å; S179-D214 PolarHBondContact O-N 3.47Å; N180-D214 HydrophobicContact CB-CB 4.23Å; N180-D214 WeakPolarHBondContact OD1-CB 3.19Å; N180-D214 PolarHBondContact OD1-O 3.21Å; L181-D214 WeakPolarHBondContact CG-O 3.33Å; L181-D214 PolarHBondContact N-O 3.2Å; C186-D214 PolarHBondContact SG-OD2 3.05Å; C186-D214 VanDerWaalsContact SG-OD2 3.35Å; D214-S246 WeakPolarHBondContact OD1-CB 3.46Å; D214-S246 PolarHBondContact OD1-OG 2.91Å; D214-Y250 WeakPolarHBondContact CB-OH 3.41Å; D214-R272 IonicContact OD1-NH1 3.08Å; D214-R272 PolarHBondContact OD1-NH1 3.31Å; D214-R272 IonicContact OD1-NH2 2.6Å
215	G	98.4	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.			trans	-134.7	25.9	-176	0	0	0	0	0	113.4	N180 Y250 R254	N180-G215 PolarHBondContact OD1-N 2.74Å; N180-G215 VanDerWaalsContact OD1-N 3.14Å; G215-Y250 VanDerWaalsContact N-CZ 3.34Å; G215-Y250 PolarHBondContact N-OH 3.27Å; G215-Y250 VanDerWaalsContact N-OH 3.12Å; G215-R254 PolarHBondContact O-NH1 2.85Å; G215-R254 PolarHBondContact O-NH2 3Å
216	C	98.3	Very high	98.3	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.149	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	143.9	168	-73.9	0	0	0	0	109.7	N180 G182 C186 A218 Y250	N180-C216 PolarHBondContact ND2-O 3.12Å; N180-C216 WeakPolarHBondContact OD1-CB 3.49Å; N180-C216 PolarHBondContact OD1-N 3.37Å; N180-C216 PolarHBondContact OD1-O 2.75Å; G182-C216 VanDerWaalsContact CA-O 3.27Å; G182-C216 WeakPolarHBondContact CA-O 3.14Å; G182-C216 PolarHBondContact N-O 2.81Å; C186-C216 VanDerWaalsContact CA-SG 3.52Å; C186-C216 HydrophobicContact CB-CB 3.93Å; C186-C216 WeakPolarHBondContact CB-SG 3.44Å; C186-C216 WeakPolarHBondContact SG-CB 3.23Å; C186-C216 CovalentContact SG-SG 2.04Å; C186-C216 PolarHBondContact SG-SG 3.26Å; C216-A218 PolarHBondContact O-N 3.2Å; C216-Y250 PolarHBondContact N-OH 2.84Å; C216-Y250 PolarHBondContact SG-OH 2.83Å
217	F	97.8	Very high	98.3	Very high	126 Å²	126	36 Å²	36	55%	0.553	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	27.2	178.9	-50.1	-86.8	0	0	0	115.5	G182 R184 T185	G182-F217 WeakPolarHBondContact CA-O 3.46Å; R184-F217 HydrophobicContact CB-CD2 3.83Å; R184-F217 HydrophobicContact CB-CE2 4.05Å; R184-F217 HydrophobicContact CB-CG 4.2Å; R184-F217 WeakPolarHBondContact O-CD2 3.25Å; T185-F217 WeakPolarHBondContact O-CE2 3.22Å
218	A	97.8	Very high	98.3	Very high	8 Å²	8	34.2 Å²	34.2	7%	0.066	17%	0.173	C	C	.	.	S	Bend	trans	-132.4	147.6	169.6	0	0	0	0	0	110	L181 C216 F223 L226 R254	L181-A218 HydrophobicContact CB-CB 4.47Å; C216-A218 PolarHBondContact O-N 3.2Å; A218-F223 HydrophobicContact CB-CE1 3.87Å; A218-L226 HydrophobicContact CB-CD1 4.25Å; A218-R254 PolarHBondContact O-NH1 2Å
219	D	97.4	Very high	98.3	Very high	71 Å²	71	37.9 Å²	37.9	38%	0.38	19%	0.187	S	C	.	.			trans	-75.4	133.4	175.1	-171.6	-28.7	0	0	0	109.6	K221 E222 F223	D219-K221 PolarHBondContact O-N 2.94Å; D219-K221 VanDerWaalsContact O-N 3.11Å; D219-K221 WeakPolarHBondContact OD1-CB 3.32Å; D219-K221 WeakPolarHBondContact OD1-CG 3.23Å; D219-K221 PolarHBondContact OD1-N 3.4Å; D219-E222 HydrophobicContact CB-CG 4.18Å; D219-E222 PolarHBondContact N-OE2 2.75Å; D219-E222 WeakPolarHBondContact O-CB 3.38Å; D219-E222 PolarHBondContact O-N 3.2Å; D219-F223 WeakPolarHBondContact O-CD1 3.27Å
220	T	97.7	Very high	98.3	Very high	12 Å²	12	36.5 Å²	36.5	7%	0.074	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26.1	173.8	43	0	0	0	0	113.6	E222 F223 V251 E255	T220-E222 VanDerWaalsContact C-N 3.27Å; T220-E222 PolarHBondContact O-N 3.05Å; T220-F223 HydrophobicContact CG2-CD2 4.29Å; T220-F223 HydrophobicContact CG2-CE2 3.88Å; T220-F223 HydrophobicContact CG2-CZ 4.03Å; T220-F223 WeakPolarHBondContact O-CB 3.32Å; T220-F223 PolarHBondContact O-N 3.35Å; T220-V251 HydrophobicContact CG2-CG2 4.33Å; T220-E255 WeakPolarHBondContact CB-OE1 3.39Å; T220-E255 PolarHBondContact OG1-OE1 3.07Å
221	K	97.1	Very high	98.2	Very high	162 Å²	162	37 Å²	37	70%	0.704	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.2	174.7	-65.7	172.8	-172.1	167	0	113	D219 P224	D219-K221 PolarHBondContact O-N 2.94Å; D219-K221 VanDerWaalsContact O-N 3.11Å; D219-K221 WeakPolarHBondContact OD1-CB 3.32Å; D219-K221 WeakPolarHBondContact OD1-CG 3.23Å; D219-K221 PolarHBondContact OD1-N 3.4Å; K221-P224 WeakPolarHBondContact O-CD 3.42Å
222	E	97.6	Very high	98.2	Very high	55 Å²	55	43.8 Å²	43.8	26%	0.257	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-15	179.3	-57.4	176.7	106.8	0	0	111.8	R193 D219 T220 P224 E225 L226	R193-E222 IonicContact CZ-OE1 2.74Å; R193-E222 IonicContact CZ-OE2 3.49Å; R193-E222 VanDerWaalsContact NH1-CD 3.31Å; R193-E222 IonicContact NH1-OE1 3.6Å; R193-E222 PolarHBondContact NH1-OE1 3.4Å; R193-E222 VanDerWaalsContact NH1-OE1 3.11Å; R193-E222 IonicContact NH1-OE2 3.39Å; R193-E222 PolarHBondContact NH1-OE2 2.87Å; R193-E222 IonicContact NH2-OE1 3.64Å; R193-E222 PolarHBondContact NH2-OE1 2.9Å; R193-E222 IonicContact NH2-OE2 3.37Å; D219-E222 HydrophobicContact CB-CG 4.18Å; D219-E222 PolarHBondContact N-OE2 2.75Å; D219-E222 WeakPolarHBondContact O-CB 3.38Å; D219-E222 PolarHBondContact O-N 3.2Å; T220-E222 VanDerWaalsContact C-N 3.27Å; T220-E222 PolarHBondContact O-N 3.05Å; E222-P224 VanDerWaalsContact C-CD 3.44Å; E222-E225 WeakPolarHBondContact O-CB 3.21Å; E222-E225 PolarHBondContact O-N 2.86Å; E222-L226 HydrophobicContact CB-CD1 3.74Å; E222-L226 HydrophobicContact CB-CG 4.05Å; E222-L226 WeakPolarHBondContact O-CG 3.36Å; E222-L226 PolarHBondContact O-N 2.91Å
223	F	98.4	Very high	98.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-54.8	-40.7	-175.5	-75.5	11.4	0	0	0	114.7	A218 D219 T220 E225 L226 Y227 W247 Y250	A218-F223 HydrophobicContact CB-CE1 3.87Å; D219-F223 WeakPolarHBondContact O-CD1 3.27Å; T220-F223 HydrophobicContact CG2-CD2 4.29Å; T220-F223 HydrophobicContact CG2-CE2 3.88Å; T220-F223 HydrophobicContact CG2-CZ 4.03Å; T220-F223 WeakPolarHBondContact O-CB 3.32Å; T220-F223 PolarHBondContact O-N 3.35Å; F223-E225 VanDerWaalsContact C-N 3.26Å; F223-E225 PolarHBondContact O-N 3.45Å; F223-L226 PolarHBondContact O-N 3.5Å; F223-Y227 HydrophobicContact CB-CD2 3.86Å; F223-Y227 HydrophobicContact CB-CE2 4.17Å; F223-Y227 HydrophobicContact CD1-CE2 4.39Å; F223-Y227 HydrophobicContact CD2-CD2 4.32Å; F223-Y227 AromaticContact CD2-CE2 3.78Å; F223-Y227 HydrophobicContact CD2-CE2 3.78Å; F223-Y227 HydrophobicContact CE2-CE2 4.17Å; F223-Y227 HydrophobicContact CG-CD2 4.08Å; F223-Y227 AromaticContact CG-CE2 3.88Å; F223-Y227 HydrophobicContact CG-CE2 3.88Å; F223-Y227 WeakPolarHBondContact O-CB 3.15Å; F223-Y227 PolarHBondContact O-N 3Å; F223-W247 HydrophobicContact CB-CD2 4.07Å; F223-W247 HydrophobicContact CB-CG 4.33Å; F223-W247 HydrophobicContact CB-CZ2 4.1Å; F223-W247 HydrophobicContact CD2-CB 4.4Å; F223-W247 AromaticContact CD2-CD1 3.42Å; F223-W247 VanDerWaalsContact CD2-CD1 3.42Å; F223-W247 HydrophobicContact CD2-CD2 4.43Å; F223-W247 AromaticContact CD2-CG 3.83Å; F223-W247 HydrophobicContact CD2-CG 3.83Å; F223-W247 AromaticContact CD2-NE1 3.71Å; F223-Y250 AromaticContact CE2-CD2 3.7Å; F223-Y250 HydrophobicContact CE2-CD2 3.7Å; F223-Y250 HydrophobicContact CE2-CG 4.04Å; F223-Y250 AromaticContact CZ-CD2 3.82Å; F223-Y250 HydrophobicContact CZ-CD2 3.82Å; F223-Y250 HydrophobicContact CZ-CG 4.06Å
224	P	98.2	Very high	98.2	Very high	56 Å²	56	47.1 Å²	47.1	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-54.9	-41.4	174.3	-23.5	31.6	0	0	0	113.9	K221 E222 G228 W247	K221-P224 WeakPolarHBondContact O-CD 3.42Å; E222-P224 VanDerWaalsContact C-CD 3.44Å; P224-G228 PolarHBondContact O-N 2.75Å; P224-W247 VanDerWaalsContact CA-CH2 3.47Å; P224-W247 HydrophobicContact CB-CH2 4.11Å; P224-W247 HydrophobicContact CB-CZ2 4.22Å; P224-W247 HydrophobicContact CG-CH2 4.2Å; P224-W247 HydrophobicContact CG-CZ2 3.79Å
225	E	98.1	Very high	98.1	Very high	118 Å²	118	55.4 Å²	55.4	55%	0.551	27%	0.266	S	S	*	.	H	α-helix	trans	-74	-51.4	177.8	-173.9	-164.1	149.2	0	0	110.6	E222 F223 G228 R229	E222-E225 WeakPolarHBondContact O-CB 3.21Å; E222-E225 PolarHBondContact O-N 2.86Å; F223-E225 VanDerWaalsContact C-N 3.26Å; F223-E225 PolarHBondContact O-N 3.45Å; E225-G228 CarbonylContact O-C 3.54Å; E225-G228 WeakPolarHBondContact O-CA 3.49Å; E225-G228 PolarHBondContact O-N 3.18Å; E225-R229 WeakPolarHBondContact O-CG 3.49Å; E225-R229 PolarHBondContact O-N 3.49Å; E225-R229 IonicContact OE1-NH1 3.12Å
226	L	98.6	Very high	98	Very high	6 Å²	6	59 Å²	59	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-68.4	-47.7	-171.2	-63	179.5	0	0	0	112.6	L181 I196 A218 E222 F223 G228 R229 V230	L181-L226 HydrophobicContact CB-CB 4.5Å; L181-L226 HydrophobicContact CB-CD1 4.4Å; L181-L226 HydrophobicContact CD1-CB 3.92Å; L181-L226 HydrophobicContact CD2-CB 4.02Å; L181-L226 HydrophobicContact CG-CB 4.4Å; I196-L226 HydrophobicContact CD1-CB 4.4Å; I196-L226 HydrophobicContact CD1-CD2 3.86Å; A218-L226 HydrophobicContact CB-CD1 4.25Å; E222-L226 HydrophobicContact CB-CD1 3.74Å; E222-L226 HydrophobicContact CB-CG 4.05Å; E222-L226 WeakPolarHBondContact O-CG 3.36Å; E222-L226 PolarHBondContact O-N 2.91Å; F223-L226 PolarHBondContact O-N 3.5Å; L226-G228 VanDerWaalsContact C-N 3.28Å; L226-G228 PolarHBondContact O-N 2.74Å; L226-R229 PolarHBondContact O-N 3.38Å; L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 2.87Å
227	Y	98.8	Very high	98	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-35.9	171.7	-79.4	-76.3	0	0	0	111.2	L181 M213 F223 V230 G231 F243 C245 S246 W247 I267	L181-Y227 HydrophobicContact CD1-CD1 3.89Å; L181-Y227 HydrophobicContact CD1-CD2 3.31Å; L181-Y227 HydrophobicContact CD1-CE1 3.79Å; L181-Y227 HydrophobicContact CD1-CE2 3.19Å; L181-Y227 HydrophobicContact CD1-CG 3.65Å; L181-Y227 VanDerWaalsContact CD1-CZ 3.44Å; L181-Y227 HydrophobicContact CG-CE1 4.44Å; L181-Y227 HydrophobicContact CG-CE2 4.46Å; M213-Y227 HydrophobicContact CB-CD1 4.47Å; M213-Y227 HydrophobicContact CB-CE1 3.84Å; M213-Y227 PolarHBondContact O-OH 3.38Å; M213-Y227 VanDerWaalsContact O-OH 3.06Å; F223-Y227 HydrophobicContact CB-CD2 3.86Å; F223-Y227 HydrophobicContact CB-CE2 4.17Å; F223-Y227 HydrophobicContact CD1-CE2 4.39Å; F223-Y227 HydrophobicContact CD2-CD2 4.32Å; F223-Y227 AromaticContact CD2-CE2 3.78Å; F223-Y227 HydrophobicContact CD2-CE2 3.78Å; F223-Y227 HydrophobicContact CE2-CE2 4.17Å; F223-Y227 HydrophobicContact CG-CD2 4.08Å; F223-Y227 AromaticContact CG-CE2 3.88Å; F223-Y227 HydrophobicContact CG-CE2 3.88Å; F223-Y227 WeakPolarHBondContact O-CB 3.15Å; F223-Y227 PolarHBondContact O-N 3Å; Y227-V230 PolarHBondContact O-N 2.93Å; Y227-G231 PolarHBondContact O-N 3.43Å; Y227-F243 HydrophobicContact CD1-CE1 4.24Å; Y227-F243 AromaticContact CD1-CZ 3.69Å; Y227-F243 HydrophobicContact CD1-CZ 3.69Å; Y227-F243 HydrophobicContact CE1-CZ 4.33Å; Y227-C245 HydrophobicContact CD1-CB 3.96Å; Y227-C245 VanDerWaalsContact CD1-SG 3.53Å; Y227-C245 HydrophobicContact CE1-CB 3.59Å; Y227-S246 PolarHBondContact OH-N 3.36Å; Y227-W247 HydrophobicContact CD2-CB 3.95Å; Y227-W247 AromaticContact CD2-CD2 3.68Å; Y227-W247 HydrophobicContact CD2-CD2 3.68Å; Y227-W247 AromaticContact CD2-CE3 3.48Å; Y227-W247 HydrophobicContact CD2-CE3 3.48Å; Y227-W247 VanDerWaalsContact CD2-CE3 3.48Å; Y227-W247 AromaticContact CD2-CG 3.93Å; Y227-W247 HydrophobicContact CD2-CG 3.93Å; Y227-W247 HydrophobicContact CD2-CZ3 4.26Å; Y227-W247 HydrophobicContact CE2-CB 3.49Å; Y227-W247 VanDerWaalsContact CE2-CB 3.49Å; Y227-W247 HydrophobicContact CE2-CD2 4.09Å; Y227-W247 HydrophobicContact CE2-CE3 4.24Å; Y227-W247 AromaticContact CE2-CG 3.82Å; Y227-W247 HydrophobicContact CE2-CG 3.82Å; Y227-W247 HydrophobicContact CG-CD2 4.35Å; Y227-W247 AromaticContact CG-CE3 3.69Å; Y227-W247 HydrophobicContact CG-CE3 3.69Å; Y227-W247 HydrophobicContact CG-CZ3 4.29Å; Y227-W247 PolarHBondContact OH-N 2.9Å; Y227-I267 WeakPolarHBondContact O-CG2 3.49Å
228	G	98.4	Very high	97.8	Very high	19 Å²	19	57.1 Å²	57.1	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-47.9	176.6	0	0	0	0	0	112.4	P224 E225 L226 V230 G231 E232	P224-G228 PolarHBondContact O-N 2.75Å; E225-G228 CarbonylContact O-C 3.54Å; E225-G228 WeakPolarHBondContact O-CA 3.49Å; E225-G228 PolarHBondContact O-N 3.18Å; L226-G228 VanDerWaalsContact C-N 3.28Å; L226-G228 PolarHBondContact O-N 2.74Å; G228-V230 PolarHBondContact O-N 3.48Å; G228-G231 PolarHBondContact O-N 2.97Å; G228-E232 WeakPolarHBondContact O-CB 3.11Å; G228-E232 PolarHBondContact O-N 3.28Å
229	R	98.5	Very high	97.8	Very high	77 Å²	77	60.4 Å²	60.4	29%	0.291	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-44.6	175.7	-75.4	174.3	61.9	-169.6	-2.5	112.3	I196 E197 E225 L226 R233	I196-R229 HydrophobicContact CG2-CB 4.31Å; E197-R229 IonicContact OE1-CZ 3.31Å; E197-R229 VanDerWaalsContact OE1-CZ 3.27Å; E197-R229 IonicContact OE1-NE 3.01Å; E197-R229 PolarHBondContact OE1-NE 2.77Å; E197-R229 IonicContact OE1-NH2 3.57Å; E197-R229 PolarHBondContact OE1-NH2 3.06Å; E197-R229 IonicContact OE2-CZ 2.8Å; E197-R229 IonicContact OE2-NH2 3.76Å; E197-R229 PolarHBondContact OE2-NH2 2.93Å; E225-R229 WeakPolarHBondContact O-CG 3.49Å; E225-R229 PolarHBondContact O-N 3.49Å; E225-R229 IonicContact OE1-NH1 3.12Å; L226-R229 PolarHBondContact O-N 3.38Å; R229-R233 WeakPolarHBondContact O-CB 3.08Å; R229-R233 PolarHBondContact O-N 3.46Å
230	V	98.8	Very high	97.7	Very high	1 Å²	1	63 Å²	63	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-50	175.2	177.2	0	0	0	0	110.6	L181 I196 V200 L211 M213 L226 Y227 G228 E232 R233 L234 F243	L181-V230 HydrophobicContact CD2-CG2 3.71Å; I196-V230 HydrophobicContact CD1-CG2 4.47Å; I196-V230 HydrophobicContact CG2-CG2 3.66Å; V200-V230 HydrophobicContact CG2-CG1 4.13Å; L211-V230 HydrophobicContact CD2-CG1 3.75Å; M213-V230 HydrophobicContact CE-CG2 4.1Å; M213-V230 HydrophobicContact CG-CG1 4.2Å; L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 2.87Å; Y227-V230 PolarHBondContact O-N 2.93Å; G228-V230 PolarHBondContact O-N 3.48Å; V230-E232 PolarHBondContact O-N 3.5Å; V230-R233 PolarHBondContact O-N 3.21Å; V230-L234 HydrophobicContact CG1-CD1 4.03Å; V230-L234 HydrophobicContact CG1-CG 4.27Å; V230-L234 WeakPolarHBondContact O-CB 3.5Å; V230-L234 WeakPolarHBondContact O-CG 3.4Å; V230-L234 PolarHBondContact O-N 3.36Å; V230-F243 HydrophobicContact CB-CE1 4.17Å; V230-F243 HydrophobicContact CB-CZ 3.76Å; V230-F243 HydrophobicContact CG1-CE1 3.94Å; V230-F243 HydrophobicContact CG1-CE2 3.74Å; V230-F243 HydrophobicContact CG1-CZ 3.37Å
231	G	98.3	Very high	97.7	Very high	15 Å²	15	62.8 Å²	62.8	16%	0.155	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-41.7	-179.3	0	0	0	0	0	113	Y227 G228 K235	Y227-G231 PolarHBondContact O-N 3.43Å; G228-G231 PolarHBondContact O-N 2.97Å; G231-K235 WeakPolarHBondContact O-CB 3.03Å; G231-K235 PolarHBondContact O-N 3.22Å
232	E	98.2	Very high	97.8	Very high	141 Å²	141	55.2 Å²	55.2	66%	0.659	30%	0.295	S	S	*	.	H	α-helix	trans	-65.2	-41.8	174.6	-176.1	173.2	-165.8	0	0	111.9	G228 V230 K235 S236	G228-E232 WeakPolarHBondContact O-CB 3.11Å; G228-E232 PolarHBondContact O-N 3.28Å; V230-E232 PolarHBondContact O-N 3.5Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-S236 WeakPolarHBondContact O-CB 3.16Å; E232-S236 PolarHBondContact O-N 3.47Å; E232-S236 PolarHBondContact O-OG 3.11Å
233	R	98.4	Very high	97.8	Very high	85 Å²	85	52.7 Å²	52.7	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-42.8	177.6	-169.2	64.9	-177.6	158	-3.1	111.9	E197 V200 D201 R229 V230 S236 S237	E197-R233 HydrophobicContact CG-CG 4.48Å; V200-R233 HydrophobicContact CB-CB 4.35Å; V200-R233 HydrophobicContact CB-CG 3.8Å; V200-R233 HydrophobicContact CG1-CB 3.93Å; V200-R233 HydrophobicContact CG1-CG 3.49Å; V200-R233 VanDerWaalsContact CG1-CG 3.49Å; D201-R233 IonicContact OD1-CZ 3.68Å; D201-R233 IonicContact OD1-NE 3.02Å; D201-R233 PolarHBondContact OD1-NE 3.09Å; D201-R233 IonicContact OD1-NH2 2.79Å; D201-R233 PolarHBondContact OD1-NH2 3.35Å; D201-R233 IonicContact OD2-CZ 3.58Å; D201-R233 IonicContact OD2-NE 3.47Å; D201-R233 IonicContact OD2-NH2 3.99Å; D201-R233 PolarHBondContact OD2-NH2 2.9Å; R229-R233 WeakPolarHBondContact O-CB 3.08Å; R229-R233 PolarHBondContact O-N 3.46Å; V230-R233 PolarHBondContact O-N 3.21Å; R233-S236 WeakPolarHBondContact CA-OG 3.15Å; R233-S236 PolarHBondContact O-N 2.7Å; R233-S236 PolarHBondContact O-OG 3.46Å; R233-S237 PolarHBondContact O-N 3.3Å; R233-S237 VanDerWaalsContact O-N 3.12Å
234	L	98.5	Very high	97.9	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-48.1	173	-72.2	176.8	0	0	0	111.3	V200 L211 V230 S236 S237 I241 F243	V200-L234 HydrophobicContact CG1-CD2 3.77Å; V200-L234 HydrophobicContact CG1-CG 4.19Å; L211-L234 HydrophobicContact CB-CD1 4.41Å; L211-L234 HydrophobicContact CD2-CD1 4.08Å; L211-L234 HydrophobicContact CD2-CD2 4.18Å; L211-L234 HydrophobicContact CD2-CG 4.44Å; V230-L234 HydrophobicContact CG1-CD1 4.03Å; V230-L234 HydrophobicContact CG1-CG 4.27Å; V230-L234 WeakPolarHBondContact O-CB 3.5Å; V230-L234 WeakPolarHBondContact O-CG 3.4Å; V230-L234 PolarHBondContact O-N 3.36Å; L234-S236 PolarHBondContact O-N 2.85Å; L234-S237 VanDerWaalsContact O-CB 3.31Å; L234-S237 WeakPolarHBondContact O-CB 3.35Å; L234-S237 PolarHBondContact O-N 3.3Å; L234-S237 PolarHBondContact O-OG 2.84Å; L234-I241 HydrophobicContact CD1-CG2 4.47Å; L234-I241 HydrophobicContact CD2-CB 4.1Å; L234-I241 HydrophobicContact CD2-CD1 3.81Å; L234-I241 HydrophobicContact CD2-CG2 3.85Å; L234-F243 HydrophobicContact CD1-CB 3.97Å; L234-F243 HydrophobicContact CD1-CD1 4.16Å; L234-F243 HydrophobicContact CD1-CD2 4Å; L234-F243 HydrophobicContact CD1-CG 3.8Å
235	K	96.3	Very high	97.9	Very high	181 Å²	181	50.2 Å²	50.2	79%	0.787	27%	0.268	S	S	*	.	H	α-helix	trans	-62.3	-42.3	179.1	-175.5	179.2	179.2	-179	0	112.5	G231 E232 S237 G238	G231-K235 WeakPolarHBondContact O-CB 3.03Å; G231-K235 PolarHBondContact O-N 3.22Å; E232-K235 PolarHBondContact O-N 2.83Å; K235-S237 PolarHBondContact O-N 2.88Å; K235-G238 PolarHBondContact O-N 3.2Å
236	S	97.5	Very high	97.9	Very high	75 Å²	75	44.7 Å²	44.7	52%	0.524	24%	0.242	S	C	.	.	H	α-helix	trans	-71.2	-15.8	179.6	58.8	0	0	0	0	113.7	E232 R233 L234 G238	E232-S236 WeakPolarHBondContact O-CB 3.16Å; E232-S236 PolarHBondContact O-N 3.47Å; E232-S236 PolarHBondContact O-OG 3.11Å; R233-S236 WeakPolarHBondContact CA-OG 3.15Å; R233-S236 PolarHBondContact O-N 2.7Å; R233-S236 PolarHBondContact O-OG 3.46Å; L234-S236 PolarHBondContact O-N 2.85Å; S236-G238 PolarHBondContact O-N 2.86Å
237	S	97.2	Very high	97.9	Very high	36 Å²	36	44.5 Å²	44.5	25%	0.252	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.6	173.6	79.6	0	0	0	0	113.8	R233 L234 K235 R239	R233-S237 PolarHBondContact O-N 3.3Å; R233-S237 VanDerWaalsContact O-N 3.12Å; L234-S237 VanDerWaalsContact O-CB 3.31Å; L234-S237 WeakPolarHBondContact O-CB 3.35Å; L234-S237 PolarHBondContact O-N 3.3Å; L234-S237 PolarHBondContact O-OG 2.84Å; K235-S237 PolarHBondContact O-N 2.88Å; S237-R239 PolarHBondContact O-N 3.13Å; S237-R239 PolarHBondContact OG-N 2.84Å
238	G	94.7	Very high	97.9	Very high	73 Å²	73	44.5 Å²	44.5	75%	0.753	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	7.6	-176.4	0	0	0	0	0	114.7	K235 S236	K235-G238 PolarHBondContact O-N 3.2Å; S236-G238 PolarHBondContact O-N 2.86Å
239	R	96.3	Very high	97.9	Very high	77 Å²	77	44.6 Å²	44.6	29%	0.291	24%	0.236	S	C	.	.	S	Bend	trans	-104.1	144.9	175.7	-62.8	178.5	63.7	102.3	7.9	111.8	N207 I208 S237 I241	N207-R239 PolarHBondContact O-NH2 2.87Å; N207-R239 PolarHBondContact OD1-NH1 3.44Å; N207-R239 PolarHBondContact OD1-NH2 3.44Å; I208-R239 PolarHBondContact O-NH2 2.85Å; S237-R239 PolarHBondContact O-N 3.13Å; S237-R239 PolarHBondContact OG-N 2.84Å; R239-I241 HydrophobicContact CB-CD1 4.08Å; R239-I241 HydrophobicContact CB-CG1 3.97Å; R239-I241 PolarHBondContact O-N 3.36Å
240	D	96	Very high	97.9	Very high	127 Å²	127	41.1 Å²	41.1	68%	0.679	22%	0.223	S	C	*	.			trans	-76.2	91.3	170.9	-66	-30.1	0	0	0	110.4	L80	L80-D240 HydrophobicContact CD1-CB 4.41Å; L80-D240 HydrophobicContact CD2-CB 4.36Å
241	I	98.4	Very high	97.9	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	22%	0.223	C	C	.	.			trans	-112.6	116.7	178	-60.1	170.9	0	0	0	109.5	L80 V204 I208 D209 L211 L234 R239 F243	L80-I241 WeakPolarHBondContact CD2-O 3.4Å; V204-I241 HydrophobicContact CG2-CD1 3.75Å; I208-I241 HydrophobicContact CD1-CD1 4.5Å; I208-I241 HydrophobicContact CD1-CG2 3.99Å; I208-I241 HydrophobicContact CG1-CD1 4.15Å; I208-I241 HydrophobicContact CG1-CG2 4.36Å; D209-I241 WeakPolarHBondContact O-CA 3.35Å; L211-I241 HydrophobicContact CB-CG2 4.21Å; L234-I241 HydrophobicContact CD1-CG2 4.47Å; L234-I241 HydrophobicContact CD2-CB 4.1Å; L234-I241 HydrophobicContact CD2-CD1 3.81Å; L234-I241 HydrophobicContact CD2-CG2 3.85Å; R239-I241 HydrophobicContact CB-CD1 4.08Å; R239-I241 HydrophobicContact CB-CG1 3.97Å; R239-I241 PolarHBondContact O-N 3.36Å; I241-F243 PolarHBondContact O-N 2.86Å
242	L	98.6	Very high	97.8	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.7	178.4	-168.1	154.8	0	0	0	109.7	L80 A81 P85 D209 M210 L211 H269 T270	L80-L242 HydrophobicContact CD1-CB 4.24Å; A81-L242 HydrophobicContact CB-CD1 3.98Å; A81-L242 HydrophobicContact CB-CG 4.48Å; P85-L242 HydrophobicContact CB-CD1 3.71Å; P85-L242 HydrophobicContact CG-CD1 3.8Å; P85-L242 HydrophobicContact CG-CD2 4.45Å; D209-L242 PolarHBondContact O-N 3.35Å; M210-L242 CarbonylContact C-O 3.57Å; M210-L242 VanDerWaalsContact CA-O 3.23Å; M210-L242 WeakPolarHBondContact CA-O 3.1Å; M210-L242 HydrophobicContact CB-CB 4.15Å; M210-L242 HydrophobicContact CE-CD2 3.86Å; M210-L242 HydrophobicContact CG-CB 4.09Å; M210-L242 HydrophobicContact CG-CD2 3.92Å; M210-L242 WeakPolarHBondContact CG-O 3.48Å; M210-L242 HydrophobicContact SD-CD2 3.97Å; L211-L242 PolarHBondContact N-O 3.02Å; L242-H269 HydrophobicContact CD2-CB 4.26Å; L242-H269 HydrophobicContact CG-CB 4.07Å; L242-T270 HydrophobicContact CD2-CG2 3.83Å
243	F	98.8	Very high	97.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.2	-177.6	-168.6	-160.9	0	0	0	111.8	L211 M213 Y227 V230 L234 I241 C245 I267 H269 T270	L211-F243 HydrophobicContact CD2-CE2 4.5Å; M213-F243 HydrophobicContact CB-CE2 3.75Å; M213-F243 HydrophobicContact CB-CZ 4.22Å; M213-F243 HydrophobicContact CG-CE2 3.5Å; M213-F243 HydrophobicContact CG-CZ 4.05Å; Y227-F243 HydrophobicContact CD1-CE1 4.24Å; Y227-F243 AromaticContact CD1-CZ 3.69Å; Y227-F243 HydrophobicContact CD1-CZ 3.69Å; Y227-F243 HydrophobicContact CE1-CZ 4.33Å; V230-F243 HydrophobicContact CB-CE1 4.17Å; V230-F243 HydrophobicContact CB-CZ 3.76Å; V230-F243 HydrophobicContact CG1-CE1 3.94Å; V230-F243 HydrophobicContact CG1-CE2 3.74Å; V230-F243 HydrophobicContact CG1-CZ 3.37Å; L234-F243 HydrophobicContact CD1-CB 3.97Å; L234-F243 HydrophobicContact CD1-CD1 4.16Å; L234-F243 HydrophobicContact CD1-CD2 4Å; L234-F243 HydrophobicContact CD1-CG 3.8Å; I241-F243 PolarHBondContact O-N 2.86Å; F243-C245 VanDerWaalsContact CE1-SG 3.57Å; F243-C245 VanDerWaalsContact CZ-SG 3.59Å; F243-I267 HydrophobicContact CD1-CG2 4.12Å; F243-I267 WeakPolarHBondContact CD1-O 3.22Å; F243-I267 HydrophobicContact CE1-CG2 3.75Å; F243-H269 PolarHBondContact N-ND1 3.17Å; F243-H269 VanDerWaalsContact N-ND1 3.13Å; F243-H269 PolarHBondContact O-N 2.76Å; F243-T270 PolarHBondContact O-N 2.71Å
244	S	98.8	Very high	97.7	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.5	173.6	178.4	0	0	0	0	111.1	L211 K212 M213 T270	L211-S244 PolarHBondContact O-N 3.48Å; K212-S244 CarbonylContact C-O 3.54Å; K212-S244 WeakPolarHBondContact CA-O 3.26Å; M213-S244 PolarHBondContact N-O 2.83Å; S244-T270 WeakPolarHBondContact CA-O 3.46Å; S244-T270 WeakPolarHBondContact OG-CG2 3.08Å
245	C	98.8	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.1	-175.5	-60.9	0	0	0	0	111.8	Y227 F243 W247 C268 T270 W271 R272	Y227-C245 HydrophobicContact CD1-CB 3.96Å; Y227-C245 VanDerWaalsContact CD1-SG 3.53Å; Y227-C245 HydrophobicContact CE1-CB 3.59Å; F243-C245 VanDerWaalsContact CE1-SG 3.57Å; F243-C245 VanDerWaalsContact CZ-SG 3.59Å; C245-W247 HydrophobicContact CB-CB 4.39Å; C245-W247 PolarHBondContact O-N 2.81Å; C245-C268 HydrophobicContact CB-CB 3.76Å; C245-C268 WeakPolarHBondContact CB-SG 3.48Å; C245-C268 WeakPolarHBondContact SG-CB 3.37Å; C245-C268 CovalentContact SG-SG 2.02Å; C245-C268 PolarHBondContact SG-SG 3.48Å; C245-T270 PolarHBondContact N-O 2.91Å; C245-W271 HydrophobicContact CB-CB 4.45Å; C245-W271 CarbonylContact O-C 3.45Å; C245-W271 WeakPolarHBondContact O-CA 3.23Å; C245-W271 VanDerWaalsContact O-CB 3.28Å; C245-W271 WeakPolarHBondContact O-CB 3.06Å; C245-R272 PolarHBondContact O-N 3.14Å
246	S	98.6	Very high	97.5	Very high	1 Å²	1	42 Å²	42	1%	0.007	22%	0.221	C	C	.	.			trans	-90.1	17.6	171	-56.6	0	0	0	0	113	M213 D214 Y227 F249 Y250 R272	M213-S246 PolarHBondContact O-N 2.8Å; D214-S246 WeakPolarHBondContact OD1-CB 3.46Å; D214-S246 PolarHBondContact OD1-OG 2.91Å; Y227-S246 PolarHBondContact OH-N 3.36Å; S246-F249 PolarHBondContact O-N 3.42Å; S246-Y250 WeakPolarHBondContact O-CD2 3.4Å; S246-Y250 WeakPolarHBondContact O-CE2 3.43Å; S246-R272 PolarHBondContact OG-NH1 2.68Å; S246-R272 VanDerWaalsContact OG-NH1 3.07Å
247	W	98.5	Very high	97.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-51.7	-55.8	-177.4	-174	-19.2	0	0	0	113	F223 P224 Y227 C245 F249 Y250 V251 P260 N263 I264 I267	F223-W247 HydrophobicContact CB-CD2 4.07Å; F223-W247 HydrophobicContact CB-CG 4.33Å; F223-W247 HydrophobicContact CB-CZ2 4.1Å; F223-W247 HydrophobicContact CD2-CB 4.4Å; F223-W247 AromaticContact CD2-CD1 3.42Å; F223-W247 VanDerWaalsContact CD2-CD1 3.42Å; F223-W247 HydrophobicContact CD2-CD2 4.43Å; F223-W247 AromaticContact CD2-CG 3.83Å; F223-W247 HydrophobicContact CD2-CG 3.83Å; F223-W247 AromaticContact CD2-NE1 3.71Å; P224-W247 VanDerWaalsContact CA-CH2 3.47Å; P224-W247 HydrophobicContact CB-CH2 4.11Å; P224-W247 HydrophobicContact CB-CZ2 4.22Å; P224-W247 HydrophobicContact CG-CH2 4.2Å; P224-W247 HydrophobicContact CG-CZ2 3.79Å; Y227-W247 HydrophobicContact CD2-CB 3.95Å; Y227-W247 AromaticContact CD2-CD2 3.68Å; Y227-W247 HydrophobicContact CD2-CD2 3.68Å; Y227-W247 AromaticContact CD2-CE3 3.48Å; Y227-W247 HydrophobicContact CD2-CE3 3.48Å; Y227-W247 VanDerWaalsContact CD2-CE3 3.48Å; Y227-W247 AromaticContact CD2-CG 3.93Å; Y227-W247 HydrophobicContact CD2-CG 3.93Å; Y227-W247 HydrophobicContact CD2-CZ3 4.26Å; Y227-W247 HydrophobicContact CE2-CB 3.49Å; Y227-W247 VanDerWaalsContact CE2-CB 3.49Å; Y227-W247 HydrophobicContact CE2-CD2 4.09Å; Y227-W247 HydrophobicContact CE2-CE3 4.24Å; Y227-W247 AromaticContact CE2-CG 3.82Å; Y227-W247 HydrophobicContact CE2-CG 3.82Å; Y227-W247 HydrophobicContact CG-CD2 4.35Å; Y227-W247 AromaticContact CG-CE3 3.69Å; Y227-W247 HydrophobicContact CG-CE3 3.69Å; Y227-W247 HydrophobicContact CG-CZ3 4.29Å; Y227-W247 PolarHBondContact OH-N 2.9Å; C245-W247 HydrophobicContact CB-CB 4.39Å; C245-W247 PolarHBondContact O-N 2.81Å; W247-F249 VanDerWaalsContact C-N 3.3Å; W247-F249 PolarHBondContact O-N 2.79Å; W247-Y250 PolarHBondContact O-N 2.98Å; W247-V251 PolarHBondContact O-N 3.19Å; W247-P260 HydrophobicContact CZ2-CG 3.7Å; W247-N263 HydrophobicContact CH2-CB 4.06Å; W247-I264 HydrophobicContact CB-CD1 4.43Å; W247-I264 HydrophobicContact CB-CG1 4.43Å; W247-I264 HydrophobicContact CD2-CD1 4.2Å; W247-I264 HydrophobicContact CD2-CG1 3.63Å; W247-I264 HydrophobicContact CE3-CG1 3.69Å; W247-I264 HydrophobicContact CG-CD1 4.05Å; W247-I264 HydrophobicContact CG-CG1 3.97Å; W247-I264 HydrophobicContact CH2-CG1 4.43Å; W247-I264 HydrophobicContact CZ2-CG1 4.43Å; W247-I264 HydrophobicContact CZ3-CG1 4.1Å; W247-I267 HydrophobicContact CH2-CD1 4.32Å; W247-I267 HydrophobicContact CZ3-CD1 3.86Å
248	P	98.5	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-39.2	-173.1	-12	21.8	0	0	0	113	Y250 V251 W252 P259 Y261 I264 W271 R272 N273	P248-Y250 PolarHBondContact O-N 2.87Å; P248-V251 PolarHBondContact O-N 3.43Å; P248-W252 VanDerWaalsContact O-CD1 3.24Å; P248-W252 PolarHBondContact O-N 2.87Å; P248-P259 HydrophobicContact CB-CB 3.81Å; P248-P259 HydrophobicContact CB-CG 3.71Å; P248-Y261 HydrophobicContact CB-CE1 3.98Å; P248-Y261 HydrophobicContact CG-CE1 4.06Å; P248-I264 HydrophobicContact CB-CD1 4.27Å; P248-I264 HydrophobicContact CG-CD1 3.77Å; P248-W271 HydrophobicContact CG-CB 3.72Å; P248-W271 HydrophobicContact CG-CG 3.81Å; P248-R272 WeakPolarHBondContact CD-O 3.29Å; P248-N273 WeakPolarHBondContact CB-OD1 3.45Å
249	F	98.4	Very high	97.5	Very high	21 Å²	21	42.5 Å²	42.5	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-49.7	-54.6	176.9	162.7	-108.3	0	0	0	112.3	S246 W247 V251 W252 E253 R272 F274 D275	S246-F249 PolarHBondContact O-N 3.42Å; W247-F249 VanDerWaalsContact C-N 3.3Å; W247-F249 PolarHBondContact O-N 2.79Å; F249-V251 VanDerWaalsContact C-N 3.31Å; F249-V251 PolarHBondContact O-N 3.42Å; F249-W252 WeakPolarHBondContact O-CB 3.14Å; F249-W252 PolarHBondContact O-N 2.88Å; F249-E253 HydrophobicContact CE2-CB 4.18Å; F249-E253 HydrophobicContact CZ-CB 4.31Å; F249-E253 HydrophobicContact CZ-CG 4.37Å; F249-E253 WeakPolarHBondContact CZ-OE2 3.29Å; F249-E253 WeakPolarHBondContact O-CB 3.43Å; F249-E253 PolarHBondContact O-N 2.86Å; F249-R272 PolarHBondContact N-O 2.75Å; F249-R272 VanDerWaalsContact N-O 3.15Å; F249-F274 VanDerWaalsContact CD2-C 3.45Å; F249-F274 VanDerWaalsContact CD2-O 3.28Å; F249-F274 WeakPolarHBondContact CD2-O 3.22Å; F249-D275 VanDerWaalsContact CE2-OD1 3.32Å; F249-D275 WeakPolarHBondContact CE2-OD1 3.18Å
250	Y	98.5	Very high	97.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-69	-29.3	-176	-59.6	-71.6	0	0	0	113.2	C186 D214 G215 C216 F223 S246 W247 P248 R254	C186-Y250 PolarHBondContact SG-OH 3.35Å; D214-Y250 WeakPolarHBondContact CB-OH 3.41Å; G215-Y250 VanDerWaalsContact N-CZ 3.34Å; G215-Y250 PolarHBondContact N-OH 3.27Å; G215-Y250 VanDerWaalsContact N-OH 3.12Å; C216-Y250 PolarHBondContact N-OH 2.84Å; C216-Y250 PolarHBondContact SG-OH 2.83Å; F223-Y250 AromaticContact CE2-CD2 3.7Å; F223-Y250 HydrophobicContact CE2-CD2 3.7Å; F223-Y250 HydrophobicContact CE2-CG 4.04Å; F223-Y250 AromaticContact CZ-CD2 3.82Å; F223-Y250 HydrophobicContact CZ-CD2 3.82Å; F223-Y250 HydrophobicContact CZ-CG 4.06Å; S246-Y250 WeakPolarHBondContact O-CD2 3.4Å; S246-Y250 WeakPolarHBondContact O-CE2 3.43Å; W247-Y250 PolarHBondContact O-N 2.98Å; P248-Y250 PolarHBondContact O-N 2.87Å; Y250-R254 WeakPolarHBondContact O-CB 3.46Å; Y250-R254 WeakPolarHBondContact O-CG 3.06Å; Y250-R254 PolarHBondContact O-N 2.82Å
251	V	98.3	Very high	97.7	Very high	1 Å²	1	35 Å²	35	1%	0.006	16%	0.16	C	C	.	.	I	π-helix	trans	-69.4	-43.4	175.4	177.1	0	0	0	0	110.1	T220 W247 P248 F249 E255 K256 K257 P259	T220-V251 HydrophobicContact CG2-CG2 4.33Å; W247-V251 PolarHBondContact O-N 3.19Å; P248-V251 PolarHBondContact O-N 3.43Å; F249-V251 VanDerWaalsContact C-N 3.31Å; F249-V251 PolarHBondContact O-N 3.42Å; V251-E255 HydrophobicContact CG1-CB 4.37Å; V251-E255 CarbonylContact O-C 3.58Å; V251-E255 WeakPolarHBondContact O-CA 3.48Å; V251-E255 WeakPolarHBondContact O-CB 3.41Å; V251-E255 PolarHBondContact O-N 3.36Å; V251-K256 PolarHBondContact O-N 2.82Å; V251-K257 HydrophobicContact CG1-CD 4.28Å; V251-K257 HydrophobicContact CG1-CG 3.6Å; V251-P259 HydrophobicContact CB-CB 4.33Å; V251-P259 HydrophobicContact CB-CG 4.16Å; V251-P259 HydrophobicContact CG1-CB 4.39Å; V251-P259 HydrophobicContact CG1-CG 4.26Å
252	W	97	Very high	97.7	Very high	46 Å²	46	35.7 Å²	35.7	17%	0.174	17%	0.169	C	C	.	.	I	π-helix	trans	-60.3	-47.7	171.6	-77.3	124.1	0	0	0	111.9	P248 F249 K256 K257 L258 P259 Y261 N273 F290 Q294	P248-W252 VanDerWaalsContact O-CD1 3.24Å; P248-W252 PolarHBondContact O-N 2.87Å; F249-W252 WeakPolarHBondContact O-CB 3.14Å; F249-W252 PolarHBondContact O-N 2.88Å; W252-K256 WeakPolarHBondContact O-CA 3.31Å; W252-K256 WeakPolarHBondContact O-CD 3.43Å; W252-K256 PolarHBondContact O-N 3.24Å; W252-K257 VanDerWaalsContact CE3-O 3.3Å; W252-L258 HydrophobicContact CH2-CD1 3.61Å; W252-L258 HydrophobicContact CZ2-CD1 3.73Å; W252-P259 HydrophobicContact CD2-CG 4.11Å; W252-P259 HydrophobicContact CG-CG 4.03Å; W252-P259 VanDerWaalsContact CZ2-CD 3.48Å; W252-P259 HydrophobicContact CZ2-CG 4.38Å; W252-P259 VanDerWaalsContact NE1-CG 3.29Å; W252-Y261 PolarHBondContact NE1-OH 3.17Å; W252-Y261 VanDerWaalsContact NE1-OH 3.12Å; W252-N273 VanDerWaalsContact CD1-O 3.29Å; W252-F290 AromaticContact CD1-CZ 3.89Å; W252-F290 HydrophobicContact CD2-CE2 4.34Å; W252-F290 AromaticContact CE2-CZ 3.96Å; W252-F290 HydrophobicContact CG-CE2 4.38Å; W252-F290 HydrophobicContact CZ2-CZ 4.47Å; W252-F290 AromaticContact NE1-CZ 3.52Å; W252-Q294 HydrophobicContact CZ2-CG 4.3Å
253	E	96.5	Very high	97.6	Very high	81 Å²	81	39.3 Å²	39.3	38%	0.379	19%	0.188	S	C	.	.	I	π-helix	trans	-66.7	-52.6	-174.8	-175.7	-171.6	-146.6	0	0	111.8	F249 K256	F249-E253 HydrophobicContact CE2-CB 4.18Å; F249-E253 HydrophobicContact CZ-CB 4.31Å; F249-E253 HydrophobicContact CZ-CG 4.37Å; F249-E253 WeakPolarHBondContact CZ-OE2 3.29Å; F249-E253 WeakPolarHBondContact O-CB 3.43Å; F249-E253 PolarHBondContact O-N 2.86Å; E253-K256 WeakPolarHBondContact O-CE 3.37Å; E253-K256 PolarHBondContact O-NZ 3.15Å
254	R	97	Very high	97.6	Very high	101 Å²	101	39.2 Å²	39.2	38%	0.381	19%	0.188	S	C	.	.	I	π-helix	trans	-93.6	-33.3	-166.9	-55.9	175.2	-173.8	170.5	1.9	113.3	G215 A218 Y250	G215-R254 PolarHBondContact O-NH1 2.85Å; G215-R254 PolarHBondContact O-NH2 3Å; A218-R254 PolarHBondContact O-NH1 2Å; Y250-R254 WeakPolarHBondContact O-CB 3.46Å; Y250-R254 WeakPolarHBondContact O-CG 3.06Å; Y250-R254 PolarHBondContact O-N 2.82Å
255	E	96	Very high	97.6	Very high	59 Å²	59	39.8 Å²	39.8	28%	0.276	19%	0.192	S	C	.	.	I	π-helix	trans	-104.2	-13.8	-177.1	-55.2	-163.7	-108.6	0	0	113.4	T220 V251 K257	T220-E255 WeakPolarHBondContact CB-OE1 3.39Å; T220-E255 PolarHBondContact OG1-OE1 3.07Å; V251-E255 HydrophobicContact CG1-CB 4.37Å; V251-E255 CarbonylContact O-C 3.58Å; V251-E255 WeakPolarHBondContact O-CA 3.48Å; V251-E255 WeakPolarHBondContact O-CB 3.41Å; V251-E255 PolarHBondContact O-N 3.36Å; E255-K257 HydrophobicContact CB-CD 3.9Å; E255-K257 HydrophobicContact CB-CG 3.82Å; E255-K257 PolarHBondContact O-N 3.38Å; E255-K257 VanDerWaalsContact O-N 3.13Å; E255-K257 WeakPolarHBondContact OE1-CE 3.5Å; E255-K257 IonicContact OE1-NZ 3.27Å; E255-K257 PolarHBondContact OE1-NZ 2.9Å; E255-K257 VanDerWaalsContact OE1-NZ 3.08Å; E255-K257 WeakPolarHBondContact OE2-CD 3.48Å; E255-K257 WeakPolarHBondContact OE2-CE 3.5Å; E255-K257 IonicContact OE2-NZ 2.81Å; E255-K257 PolarHBondContact OE2-NZ 3.13Å
256	K	94.6	Very high	97.5	Very high	162 Å²	162	48.1 Å²	48.1	70%	0.704	23%	0.228	S	C	*	.			trans	52.8	33.4	-178.5	-54.2	-65.4	177.1	-151.6	0	112.8	V251 W252 E253	V251-K256 PolarHBondContact O-N 2.82Å; W252-K256 WeakPolarHBondContact O-CA 3.31Å; W252-K256 WeakPolarHBondContact O-CD 3.43Å; W252-K256 PolarHBondContact O-N 3.24Å; E253-K256 WeakPolarHBondContact O-CE 3.37Å; E253-K256 PolarHBondContact O-NZ 3.15Å
257	K	95.8	Very high	97.5	Very high	98 Å²	98	50.1 Å²	50.1	43%	0.426	24%	0.238	S	C	.	.	S	Bend	trans	-126.3	166.7	-178.3	77.7	-175.5	-171.6	-170	0	111.3	V251 W252 E255 P259	V251-K257 HydrophobicContact CG1-CD 4.28Å; V251-K257 HydrophobicContact CG1-CG 3.6Å; W252-K257 VanDerWaalsContact CE3-O 3.3Å; E255-K257 HydrophobicContact CB-CD 3.9Å; E255-K257 HydrophobicContact CB-CG 3.82Å; E255-K257 PolarHBondContact O-N 3.38Å; E255-K257 VanDerWaalsContact O-N 3.13Å; E255-K257 WeakPolarHBondContact OE1-CE 3.5Å; E255-K257 IonicContact OE1-NZ 3.27Å; E255-K257 PolarHBondContact OE1-NZ 2.9Å; E255-K257 VanDerWaalsContact OE1-NZ 3.08Å; E255-K257 WeakPolarHBondContact OE2-CD 3.48Å; E255-K257 WeakPolarHBondContact OE2-CE 3.5Å; E255-K257 IonicContact OE2-NZ 2.81Å; E255-K257 PolarHBondContact OE2-NZ 3.13Å; K257-P259 WeakPolarHBondContact O-CD 3.47Å
258	L	96.7	Very high	97.5	Very high	92 Å²	92	50.1 Å²	50.1	48%	0.482	24%	0.239	S	C	.	.			trans	-62.8	125	173.9	-161.6	68.4	0	0	0	110.9	W252 Y261 T297	W252-L258 HydrophobicContact CH2-CD1 3.61Å; W252-L258 HydrophobicContact CZ2-CD1 3.73Å; L258-Y261 HydrophobicContact CD1-CE2 4.28Å; L258-Y261 HydrophobicContact CG-CE2 4.5Å; L258-T297 HydrophobicContact CD1-CG2 3.52Å; L258-T297 HydrophobicContact CD2-CG2 4.13Å; L258-T297 HydrophobicContact CG-CG2 4.18Å
259	P	98.2	Very high	97.5	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.026	25%	0.249	C	C	.	.			trans	-60.1	149	172.3	-26.2	35.2	0	0	0	112.4	P248 V251 W252 K257 Y261 I264	P248-P259 HydrophobicContact CB-CB 3.81Å; P248-P259 HydrophobicContact CB-CG 3.71Å; V251-P259 HydrophobicContact CB-CB 4.33Å; V251-P259 HydrophobicContact CB-CG 4.16Å; V251-P259 HydrophobicContact CG1-CB 4.39Å; V251-P259 HydrophobicContact CG1-CG 4.26Å; W252-P259 HydrophobicContact CD2-CG 4.11Å; W252-P259 HydrophobicContact CG-CG 4.03Å; W252-P259 VanDerWaalsContact CZ2-CD 3.48Å; W252-P259 HydrophobicContact CZ2-CG 4.38Å; W252-P259 VanDerWaalsContact NE1-CG 3.29Å; K257-P259 WeakPolarHBondContact O-CD 3.47Å; P259-Y261 HydrophobicContact CB-CD2 4.25Å; P259-Y261 HydrophobicContact CB-CE1 4.29Å; P259-Y261 HydrophobicContact CB-CE2 3.91Å; P259-Y261 HydrophobicContact CG-CE2 4.02Å; P259-Y261 VanDerWaalsContact O-CD2 3.26Å; P259-Y261 WeakPolarHBondContact O-CD2 3.4Å; P259-Y261 PolarHBondContact O-N 3.21Å; P259-I264 HydrophobicContact CB-CD1 3.87Å
260	P	97.8	Very high	97.5	Very high	44 Å²	44	51.4 Å²	51.4	29%	0.286	25%	0.245	S	C	.	.			trans	-76.4	65.3	178.4	33.8	-36.8	0	0	0	111.2	W247 G262 N263 I264	W247-P260 HydrophobicContact CZ2-CG 3.7Å; P260-G262 PolarHBondContact O-N 2.92Å; P260-N263 HydrophobicContact CB-CB 4.38Å; P260-N263 WeakPolarHBondContact O-CA 3.46Å; P260-N263 WeakPolarHBondContact O-CB 3.44Å; P260-N263 PolarHBondContact O-N 3.45Å; P260-I264 HydrophobicContact CG-CD1 4.42Å; P260-I264 WeakPolarHBondContact O-CG1 3.39Å; P260-I264 PolarHBondContact O-N 3.48Å
261	Y	98.4	Very high	97.5	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-55.9	-28.6	-174.9	-69.3	-73.7	0	0	0	114.1	P248 W252 L258 P259 N263 I264 S265 W271 N273 T297 L298 Y301	P248-Y261 HydrophobicContact CB-CE1 3.98Å; P248-Y261 HydrophobicContact CG-CE1 4.06Å; W252-Y261 PolarHBondContact NE1-OH 3.17Å; W252-Y261 VanDerWaalsContact NE1-OH 3.12Å; L258-Y261 HydrophobicContact CD1-CE2 4.28Å; L258-Y261 HydrophobicContact CG-CE2 4.5Å; P259-Y261 HydrophobicContact CB-CD2 4.25Å; P259-Y261 HydrophobicContact CB-CE1 4.29Å; P259-Y261 HydrophobicContact CB-CE2 3.91Å; P259-Y261 HydrophobicContact CG-CE2 4.02Å; P259-Y261 VanDerWaalsContact O-CD2 3.26Å; P259-Y261 WeakPolarHBondContact O-CD2 3.4Å; P259-Y261 PolarHBondContact O-N 3.21Å; Y261-N263 VanDerWaalsContact C-N 3.27Å; Y261-N263 PolarHBondContact O-N 3.24Å; Y261-I264 HydrophobicContact CD1-CD1 4.23Å; Y261-I264 PolarHBondContact O-N 3.02Å; Y261-S265 WeakPolarHBondContact O-CB 3.44Å; Y261-S265 PolarHBondContact O-N 3.39Å; Y261-S265 PolarHBondContact O-OG 3.01Å; Y261-W271 AromaticContact CD1-NE1 3.74Å; Y261-W271 AromaticContact CE1-CD1 3.99Å; Y261-W271 AromaticContact CE1-NE1 3.67Å; Y261-N273 VanDerWaalsContact CE1-OD1 3.3Å; Y261-N273 WeakPolarHBondContact CE1-OD1 3.36Å; Y261-N273 PolarHBondContact OH-OD1 3.37Å; Y261-T297 HydrophobicContact CD2-CG2 3.76Å; Y261-T297 HydrophobicContact CE2-CG2 3.65Å; Y261-L298 HydrophobicContact CE1-CD2 3.97Å; Y261-L298 HydrophobicContact CE2-CD2 4.3Å; Y261-L298 VanDerWaalsContact OH-CD2 3.27Å; Y261-L298 WeakPolarHBondContact OH-CD2 3.41Å; Y261-Y301 HydrophobicContact CD2-CD2 4.42Å; Y261-Y301 HydrophobicContact CG-CD2 4.03Å; Y261-Y301 HydrophobicContact CG-CE2 4.42Å
262	G	97.4	Very high	97.5	Very high	21 Å²	21	51.5 Å²	51.5	22%	0.216	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-25.2	173.5	0	0	0	0	0	114.3	P260 K266	P260-G262 PolarHBondContact O-N 2.92Å; G262-K266 WeakPolarHBondContact O-CD 3.02Å; G262-K266 WeakPolarHBondContact O-CE 2.98Å; G262-K266 WeakPolarHBondContact O-CG 3.41Å
263	N	97.8	Very high	97.6	Very high	79 Å²	79	49.3 Å²	49.3	42%	0.422	24%	0.237	S	C	.	.	H	α-helix	trans	-86.9	-44.4	171.4	-68	32.8	0	0	0	110.2	W247 P260 Y261 S265 K266 I267	W247-N263 HydrophobicContact CH2-CB 4.06Å; P260-N263 HydrophobicContact CB-CB 4.38Å; P260-N263 WeakPolarHBondContact O-CA 3.46Å; P260-N263 WeakPolarHBondContact O-CB 3.44Å; P260-N263 PolarHBondContact O-N 3.45Å; Y261-N263 VanDerWaalsContact C-N 3.27Å; Y261-N263 PolarHBondContact O-N 3.24Å; N263-S265 VanDerWaalsContact C-N 3.35Å; N263-S265 PolarHBondContact O-N 3.07Å; N263-K266 PolarHBondContact O-N 3.27Å; N263-K266 VanDerWaalsContact O-N 3.07Å; N263-I267 PolarHBondContact O-N 2.89Å
264	I	98.6	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-48.7	-179.5	-62.1	166.3	0	0	0	110.5	W247 P248 P259 P260 Y261 K266 I267 C268 W271	W247-I264 HydrophobicContact CB-CD1 4.43Å; W247-I264 HydrophobicContact CB-CG1 4.43Å; W247-I264 HydrophobicContact CD2-CD1 4.2Å; W247-I264 HydrophobicContact CD2-CG1 3.63Å; W247-I264 HydrophobicContact CE3-CG1 3.69Å; W247-I264 HydrophobicContact CG-CD1 4.05Å; W247-I264 HydrophobicContact CG-CG1 3.97Å; W247-I264 HydrophobicContact CH2-CG1 4.43Å; W247-I264 HydrophobicContact CZ2-CG1 4.43Å; W247-I264 HydrophobicContact CZ3-CG1 4.1Å; P248-I264 HydrophobicContact CB-CD1 4.27Å; P248-I264 HydrophobicContact CG-CD1 3.77Å; P259-I264 HydrophobicContact CB-CD1 3.87Å; P260-I264 HydrophobicContact CG-CD1 4.42Å; P260-I264 WeakPolarHBondContact O-CG1 3.39Å; P260-I264 PolarHBondContact O-N 3.48Å; Y261-I264 HydrophobicContact CD1-CD1 4.23Å; Y261-I264 PolarHBondContact O-N 3.02Å; I264-K266 PolarHBondContact O-N 2.95Å; I264-I267 PolarHBondContact O-N 2.82Å; I264-C268 HydrophobicContact CG2-CB 4.19Å; I264-C268 WeakPolarHBondContact O-CB 3.26Å; I264-C268 PolarHBondContact O-N 3.04Å; I264-W271 HydrophobicContact CG2-CB 3.99Å; I264-W271 HydrophobicContact CG2-CD2 3.63Å; I264-W271 HydrophobicContact CG2-CE3 3.69Å; I264-W271 HydrophobicContact CG2-CG 3.78Å; I264-W271 HydrophobicContact CG2-CZ3 4.38Å
265	S	97.6	Very high	97.6	Very high	18 Å²	18	46.8 Å²	46.8	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-20.3	178.9	52.5	0	0	0	0	114.5	Y261 N263 H306	Y261-S265 WeakPolarHBondContact O-CB 3.44Å; Y261-S265 PolarHBondContact O-N 3.39Å; Y261-S265 PolarHBondContact O-OG 3.01Å; N263-S265 VanDerWaalsContact C-N 3.35Å; N263-S265 PolarHBondContact O-N 3.07Å; S265-H306 PolarHBondContact O-CE1 3.32Å; S265-H306 PolarHBondContact O-ND1 3.32Å; S265-H306 VanDerWaalsContact O-ND1 3.14Å
266	K	96.9	Very high	97.7	Very high	175 Å²	175	45.9 Å²	45.9	76%	0.761	23%	0.228	S	C	*	.	H	α-helix	trans	-83	-17.4	175.7	-67.5	173.6	-176.2	174.9	0	113.2	G262 N263 I264	G262-K266 WeakPolarHBondContact O-CD 3.02Å; G262-K266 WeakPolarHBondContact O-CE 2.98Å; G262-K266 WeakPolarHBondContact O-CG 3.41Å; N263-K266 PolarHBondContact O-N 3.27Å; N263-K266 VanDerWaalsContact O-N 3.07Å; I264-K266 PolarHBondContact O-N 2.95Å
267	I	98.3	Very high	97.9	Very high	42 Å²	42	38.1 Å²	38.1	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-112.3	-45.4	-171.5	-66.1	165.3	0	0	0	110.4	Y227 F243 W247 N263 I264	Y227-I267 WeakPolarHBondContact O-CG2 3.49Å; F243-I267 HydrophobicContact CD1-CG2 4.12Å; F243-I267 WeakPolarHBondContact CD1-O 3.22Å; F243-I267 HydrophobicContact CE1-CG2 3.75Å; W247-I267 HydrophobicContact CH2-CD1 4.32Å; W247-I267 HydrophobicContact CZ3-CD1 3.86Å; N263-I267 PolarHBondContact O-N 2.89Å; I264-I267 PolarHBondContact O-N 2.82Å
268	C	98.5	Very high	98	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.02	19%	0.193	C	C	.	.			trans	-105.2	149.2	-170.6	-51.6	0	0	0	0	111.3	C245 I264 W271	C245-C268 HydrophobicContact CB-CB 3.76Å; C245-C268 WeakPolarHBondContact CB-SG 3.48Å; C245-C268 WeakPolarHBondContact SG-CB 3.37Å; C245-C268 CovalentContact SG-SG 2.02Å; C245-C268 PolarHBondContact SG-SG 3.48Å; I264-C268 HydrophobicContact CG2-CB 4.19Å; I264-C268 WeakPolarHBondContact O-CB 3.26Å; I264-C268 PolarHBondContact O-N 3.04Å; C268-W271 HydrophobicContact CB-CE3 4.04Å; C268-W271 WeakPolarHBondContact O-CZ3 3.28Å
269	H	98.6	Very high	98	Very high	47 Å²	47	34.3 Å²	34.3	22%	0.218	18%	0.18	C	C	.	.	S	Bend	trans	-92.8	-32.3	174.7	-62.1	88.4	0	0	0	112.1	A81 L242 F243 G305 H306 W307	A81-H269 HydrophobicContact CB-CB 4.01Å; L242-H269 HydrophobicContact CD2-CB 4.26Å; L242-H269 HydrophobicContact CG-CB 4.07Å; F243-H269 PolarHBondContact N-ND1 3.17Å; F243-H269 VanDerWaalsContact N-ND1 3.13Å; F243-H269 PolarHBondContact O-N 2.76Å; H269-G305 WeakPolarHBondContact CA-O 3.49Å; H269-H306 WeakPolarHBondContact O-CA 3.27Å; H269-W307 PolarHBondContact O-N 3.14Å
270	T	98.7	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.4	173.4	-175.2	0	0	0	0	110.1	M210 L242 F243 S244 C245 W307 P338	M210-T270 HydrophobicContact CE-CG2 4.48Å; L242-T270 HydrophobicContact CD2-CG2 3.83Å; F243-T270 PolarHBondContact O-N 2.71Å; S244-T270 WeakPolarHBondContact CA-O 3.46Å; S244-T270 WeakPolarHBondContact OG-CG2 3.08Å; C245-T270 PolarHBondContact N-O 2.91Å; T270-W307 VanDerWaalsContact CA-O 3.27Å; T270-W307 WeakPolarHBondContact CA-O 3.05Å; T270-W307 PolarHBondContact OG1-O 3.38Å; T270-P338 VanDerWaalsContact OG1-CG 3.28Å; T270-P338 WeakPolarHBondContact OG1-CG 3.31Å
271	W	98.8	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	132.6	179.4	51.7	79.7	0	0	0	115.2	C245 P248 Y261 I264 C268 N273 Y301 H306 W307 N308 D309	C245-W271 HydrophobicContact CB-CB 4.45Å; C245-W271 CarbonylContact O-C 3.45Å; C245-W271 WeakPolarHBondContact O-CA 3.23Å; C245-W271 VanDerWaalsContact O-CB 3.28Å; C245-W271 WeakPolarHBondContact O-CB 3.06Å; P248-W271 HydrophobicContact CG-CB 3.72Å; P248-W271 HydrophobicContact CG-CG 3.81Å; Y261-W271 AromaticContact CD1-NE1 3.74Å; Y261-W271 AromaticContact CE1-CD1 3.99Å; Y261-W271 AromaticContact CE1-NE1 3.67Å; I264-W271 HydrophobicContact CG2-CB 3.99Å; I264-W271 HydrophobicContact CG2-CD2 3.63Å; I264-W271 HydrophobicContact CG2-CE3 3.69Å; I264-W271 HydrophobicContact CG2-CG 3.78Å; I264-W271 HydrophobicContact CG2-CZ3 4.38Å; C268-W271 HydrophobicContact CB-CE3 4.04Å; C268-W271 WeakPolarHBondContact O-CZ3 3.28Å; W271-N273 PolarHBondContact O-ND2 3.34Å; W271-Y301 WeakPolarHBondContact CH2-O 3.33Å; W271-Y301 WeakPolarHBondContact CZ2-O 3.47Å; W271-H306 HydrophobicContact CH2-CB 3.75Å; W271-H306 HydrophobicContact CZ3-CB 4.27Å; W271-W307 PolarHBondContact N-O 2.91Å; W271-W307 VanDerWaalsContact N-O 3.07Å; W271-N308 PolarHBondContact NE1-OD1 3.25Å; W271-D309 VanDerWaalsContact O-CB 3.25Å; W271-D309 WeakPolarHBondContact O-CB 3.41Å; W271-D309 PolarHBondContact O-N 3.07Å
272	R	98.6	Very high	97.9	Very high	8 Å²	8	45.2 Å²	45.2	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.9	177.2	-165.2	-177.2	72.3	-127.2	-1.5	110.5	D214 C245 S246 P248 F249 F274 D276 D311	D214-R272 IonicContact OD1-NH1 3.08Å; D214-R272 PolarHBondContact OD1-NH1 3.31Å; D214-R272 IonicContact OD1-NH2 2.6Å; C245-R272 PolarHBondContact O-N 3.14Å; S246-R272 PolarHBondContact OG-NH1 2.68Å; S246-R272 VanDerWaalsContact OG-NH1 3.07Å; P248-R272 WeakPolarHBondContact CD-O 3.29Å; F249-R272 PolarHBondContact N-O 2.75Å; F249-R272 VanDerWaalsContact N-O 3.15Å; R272-F274 PolarHBondContact NE-O 3.15Å; R272-D276 IonicContact CZ-OD1 3.15Å; R272-D276 IonicContact NE-OD1 2.78Å; R272-D276 PolarHBondContact NE-OD1 2.89Å; R272-D276 IonicContact NH1-OD1 2.76Å; R272-D276 PolarHBondContact NH1-OD1 2.95Å; R272-D276 IonicContact NH2-OD1 3.39Å; R272-D311 HydrophobicContact CG-CB 4.49Å
273	N	98.4	Very high	97.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.			trans	-99.4	-22.3	-175.1	-71.7	-64	0	0	0	114.9	P248 W252 Y261 W271 F290 Y291 N308 D309	P248-N273 WeakPolarHBondContact CB-OD1 3.45Å; W252-N273 VanDerWaalsContact CD1-O 3.29Å; Y261-N273 VanDerWaalsContact CE1-OD1 3.3Å; Y261-N273 WeakPolarHBondContact CE1-OD1 3.36Å; Y261-N273 PolarHBondContact OH-OD1 3.37Å; W271-N273 PolarHBondContact O-ND2 3.34Å; N273-F290 HydrophobicContact CB-CE1 3.58Å; N273-F290 HydrophobicContact CB-CZ 3.98Å; N273-Y291 HydrophobicContact CB-CE2 4.45Å; N273-Y291 PolarHBondContact ND2-OH 2.81Å; N273-N308 WeakPolarHBondContact ND2-CB 3.45Å; N273-N308 PolarHBondContact ND2-OD1 3.39Å; N273-D309 PolarHBondContact N-O 3.19Å
274	F	98	Very high	97.9	Very high	47 Å²	47	41.1 Å²	41.1	21%	0.206	19%	0.194	C	C	.	.	S	Bend	trans	-137.7	179.6	-167.7	-157.5	-116.8	0	0	0	111.9	F249 R272 I287 F290	F249-F274 VanDerWaalsContact CD2-C 3.45Å; F249-F274 VanDerWaalsContact CD2-O 3.28Å; F249-F274 WeakPolarHBondContact CD2-O 3.22Å; R272-F274 PolarHBondContact NE-O 3.15Å; F274-I287 HydrophobicContact CD1-CG1 3.84Å; F274-F290 HydrophobicContact CB-CD1 4.19Å; F274-F290 HydrophobicContact CB-CE1 4.49Å; F274-F290 HydrophobicContact CB-CG 4.3Å; F274-F290 HydrophobicContact CD1-CB 4.43Å; F274-F290 HydrophobicContact CD2-CB 3.89Å; F274-F290 HydrophobicContact CD2-CD1 4.19Å; F274-F290 AromaticContact CD2-CD2 3.27Å; F274-F290 HydrophobicContact CD2-CD2 3.27Å; F274-F290 AromaticContact CD2-CE2 3.78Å; F274-F290 HydrophobicContact CD2-CE2 3.78Å; F274-F290 AromaticContact CD2-CG 3.49Å; F274-F290 HydrophobicContact CD2-CG 3.49Å; F274-F290 VanDerWaalsContact CD2-CG 3.49Å; F274-F290 HydrophobicContact CD2-CZ 4.43Å; F274-F290 HydrophobicContact CE2-CB 4Å; F274-F290 AromaticContact CE2-CD2 3.56Å; F274-F290 HydrophobicContact CE2-CD2 3.56Å; F274-F290 HydrophobicContact CE2-CE2 4.33Å; F274-F290 AromaticContact CE2-CG 3.96Å; F274-F290 HydrophobicContact CE2-CG 3.96Å; F274-F290 HydrophobicContact CG-CB 4.11Å; F274-F290 HydrophobicContact CG-CD1 4.32Å; F274-F290 HydrophobicContact CG-CD2 4.16Å; F274-F290 AromaticContact CG-CG 3.92Å; F274-F290 HydrophobicContact CG-CG 3.92Å; F274-F290 HydrophobicContact CZ-CB 4.32Å
275	D	96.8	Very high	97.9	Very high	81 Å²	81	43.3 Å²	43.3	43%	0.433	20%	0.204	S	C	.	.	S	Bend	trans	-53.7	149	175.2	-68	-47.4	0	0	0	111.5	F249 V277	F249-D275 VanDerWaalsContact CE2-OD1 3.32Å; F249-D275 WeakPolarHBondContact CE2-OD1 3.18Å; D275-V277 PolarHBondContact O-N 3.24Å
276	D	98.1	Very high	98	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.214	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-56.8	128.5	175.5	-71.5	-8.7	0	0	0	110.7	W91 R272 Q278 D311	W91-D276 PolarHBondContact NE1-OD2 2.02Å; R272-D276 IonicContact CZ-OD1 3.15Å; R272-D276 IonicContact NE-OD1 2.78Å; R272-D276 PolarHBondContact NE-OD1 2.89Å; R272-D276 IonicContact NH1-OD1 2.76Å; R272-D276 PolarHBondContact NH1-OD1 2.95Å; R272-D276 IonicContact NH2-OD1 3.39Å; D276-Q278 PolarHBondContact O-N 3.08Å; D276-Q278 PolarHBondContact O-NE2 2.8Å; D276-D311 WeakPolarHBondContact CA-OD2 3.38Å
277	V	98.5	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-60.8	131.7	177.6	68.9	0	0	0	0	109.9	T92 D275 V284 I287 D311 M312 V314	T92-V277 HydrophobicContact CG2-CG1 4.39Å; T92-V277 WeakPolarHBondContact CG2-O 3.36Å; T92-V277 WeakPolarHBondContact OG1-CG1 3.26Å; T92-V277 PolarHBondContact OG1-O 3.36Å; D275-V277 PolarHBondContact O-N 3.24Å; V277-V284 HydrophobicContact CG2-CG2 4.32Å; V277-I287 HydrophobicContact CB-CD1 3.62Å; V277-I287 HydrophobicContact CG2-CD1 3.64Å; V277-D311 HydrophobicContact CB-CB 4.23Å; V277-D311 HydrophobicContact CG1-CB 4.11Å; V277-D311 WeakPolarHBondContact CG1-OD2 3.15Å; V277-D311 PolarHBondContact N-OD2 3.06Å; V277-M312 HydrophobicContact CG1-CB 3.98Å; V277-M312 HydrophobicContact CG1-CE 4.34Å; V277-M312 WeakPolarHBondContact CG1-O 3.22Å; V277-V314 HydrophobicContact CG1-CG1 3.92Å; V277-V314 HydrophobicContact CG2-CG1 4.06Å; V277-V314 HydrophobicContact CG2-CG2 4.39Å
278	Q	97.9	Very high	98.1	Very high	84 Å²	84	34.2 Å²	34.2	39%	0.393	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-102	147.8	173.1	-56.1	-57.5	-54.1	0	0	109.1	D276 N280 S283	D276-Q278 PolarHBondContact O-N 3.08Å; D276-Q278 PolarHBondContact O-NE2 2.8Å; Q278-N280 VanDerWaalsContact CB-ND2 3.31Å; Q278-N280 WeakPolarHBondContact CB-ND2 3.47Å; Q278-N280 PolarHBondContact O-N 3.41Å; Q278-S283 PolarHBondContact N-OG 3.06Å
279	A	96	Very high	98.1	Very high	26 Å²	26	37.1 Å²	37.1	22%	0.215	18%	0.181	C	C	.	.	S	Bend	trans	-72.4	62.3	179	0	0	0	0	0	112.4	T92 V314 K319	T92-A279 HydrophobicContact CG2-CB 4.18Å; A279-V314 HydrophobicContact CB-CB 4.4Å; A279-V314 HydrophobicContact CB-CG1 4.45Å; A279-K319 WeakPolarHBondContact O-CB 3.22Å; A279-K319 WeakPolarHBondContact O-CD 3.3Å
280	N	96.7	Very high	98	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	18%	0.175	S	C	.	.	S	Bend	trans	-157.4	154.8	174	65.9	79.2	0	0	0	110.3	Q278 R282 S283 V284	Q278-N280 VanDerWaalsContact CB-ND2 3.31Å; Q278-N280 WeakPolarHBondContact CB-ND2 3.47Å; Q278-N280 PolarHBondContact O-N 3.41Å; N280-R282 VanDerWaalsContact C-N 3.33Å; N280-R282 PolarHBondContact O-N 3.06Å; N280-R282 WeakPolarHBondContact OD1-CB 3.09Å; N280-R282 PolarHBondContact OD1-N 2.8Å; N280-S283 PolarHBondContact O-N 3.07Å; N280-S283 PolarHBondContact OD1-N 3.36Å; N280-V284 PolarHBondContact O-N 2.52Å
281	W	97.4	Very high	98	Very high	20 Å²	20	35.9 Å²	35.9	8%	0.076	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-36	-175.4	-174.8	-126.2	0	0	0	114.2	S283 V284 Q285 I288 Q324 A327 F406	W281-S283 VanDerWaalsContact C-N 3.3Å; W281-S283 PolarHBondContact O-N 2.87Å; W281-V284 HydrophobicContact CE3-CB 3.92Å; W281-V284 HydrophobicContact CE3-CG1 3.99Å; W281-V284 HydrophobicContact CH2-CG1 4.47Å; W281-V284 HydrophobicContact CZ3-CB 4.09Å; W281-V284 HydrophobicContact CZ3-CG1 3.62Å; W281-V284 PolarHBondContact O-N 3.19Å; W281-Q285 VanDerWaalsContact CD1-CD 3.5Å; W281-Q285 HydrophobicContact CD2-CG 3.98Å; W281-Q285 HydrophobicContact CG-CG 4.28Å; W281-Q285 HydrophobicContact CZ2-CG 3.87Å; W281-Q285 WeakPolarHBondContact O-CG 3.33Å; W281-Q285 PolarHBondContact O-N 3.03Å; W281-I288 HydrophobicContact CH2-CD1 4.43Å; W281-Q324 HydrophobicContact CD2-CB 4.03Å; W281-Q324 HydrophobicContact CD2-CG 3.54Å; W281-Q324 HydrophobicContact CE3-CB 3.54Å; W281-Q324 HydrophobicContact CE3-CG 3.63Å; W281-Q324 HydrophobicContact CG-CG 3.95Å; W281-Q324 HydrophobicContact CH2-CB 4.45Å; W281-Q324 HydrophobicContact CH2-CG 4.41Å; W281-Q324 HydrophobicContact CZ2-CG 4.33Å; W281-Q324 HydrophobicContact CZ3-CB 3.79Å; W281-Q324 HydrophobicContact CZ3-CG 4.07Å; W281-Q324 WeakPolarHBondContact CZ3-O 3.43Å; W281-A327 HydrophobicContact CH2-CB 3.7Å; W281-A327 HydrophobicContact CZ3-CB 4.24Å; W281-F406 AromaticContact CH2-CE2 3.89Å; W281-F406 HydrophobicContact CH2-CE2 3.89Å; W281-F406 AromaticContact CH2-CZ 3.89Å; W281-F406 HydrophobicContact CH2-CZ 3.89Å; W281-F406 AromaticContact CZ2-CE2 3.92Å; W281-F406 HydrophobicContact CZ2-CE2 3.92Å; W281-F406 AromaticContact CZ2-CZ 3.79Å; W281-F406 HydrophobicContact CZ2-CZ 3.79Å
282	R	97.5	Very high	98	Very high	202 Å²	202	36.6 Å²	36.6	76%	0.762	18%	0.179	S	C	*	.	H	α-helix	trans	-59.2	-41	-180	-178.5	-176.1	176.8	91.4	1.1	112	N280 Q285 S286	N280-R282 VanDerWaalsContact C-N 3.33Å; N280-R282 PolarHBondContact O-N 3.06Å; N280-R282 WeakPolarHBondContact OD1-CB 3.09Å; N280-R282 PolarHBondContact OD1-N 2.8Å; R282-Q285 PolarHBondContact O-N 3.12Å; R282-S286 PolarHBondContact O-N 3.24Å; R282-S286 PolarHBondContact O-OG 3.27Å
283	S	98.4	Very high	97.9	Very high	14 Å²	14	42 Å²	42	10%	0.098	21%	0.209	C	C	.	.	H	α-helix	trans	-68.8	-41.5	178.1	177.9	0	0	0	0	112.2	Q278 N280 W281 Q285 S286 I287	Q278-S283 PolarHBondContact N-OG 3.06Å; N280-S283 PolarHBondContact O-N 3.07Å; N280-S283 PolarHBondContact OD1-N 3.36Å; W281-S283 VanDerWaalsContact C-N 3.3Å; W281-S283 PolarHBondContact O-N 2.87Å; S283-Q285 VanDerWaalsContact C-N 3.31Å; S283-Q285 PolarHBondContact O-N 3.3Å; S283-S286 WeakPolarHBondContact CA-OG 3.39Å; S283-S286 PolarHBondContact O-N 3.07Å; S283-S286 PolarHBondContact O-OG 3.43Å; S283-I287 WeakPolarHBondContact O-CG1 3.16Å; S283-I287 PolarHBondContact O-N 3.04Å; S283-I287 VanDerWaalsContact O-N 3.15Å
284	V	98.5	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-44.6	173.7	178.5	0	0	0	0	110.4	V277 N280 W281 S286 I287 I288 V314 L320 Q328 W332	V277-V284 HydrophobicContact CG2-CG2 4.32Å; N280-V284 PolarHBondContact O-N 2.52Å; W281-V284 HydrophobicContact CE3-CB 3.92Å; W281-V284 HydrophobicContact CE3-CG1 3.99Å; W281-V284 HydrophobicContact CH2-CG1 4.47Å; W281-V284 HydrophobicContact CZ3-CB 4.09Å; W281-V284 HydrophobicContact CZ3-CG1 3.62Å; W281-V284 PolarHBondContact O-N 3.19Å; V284-S286 PolarHBondContact O-N 3.03Å; V284-I287 PolarHBondContact O-N 3.26Å; V284-I288 HydrophobicContact CG1-CD1 3.96Å; V284-I288 VanDerWaalsContact O-CG1 3.29Å; V284-I288 WeakPolarHBondContact O-CG1 3.49Å; V284-I288 PolarHBondContact O-N 3.18Å; V284-V314 HydrophobicContact CG2-CG2 3.98Å; V284-L320 HydrophobicContact CG2-CD2 4.42Å; V284-Q328 HydrophobicContact CG1-CB 4.09Å; V284-Q328 HydrophobicContact CG1-CG 4.02Å; V284-W332 HydrophobicContact CG1-CH2 4.08Å; V284-W332 HydrophobicContact CG1-CZ3 4.1Å
285	Q	98.1	Very high	97.8	Very high	46 Å²	46	42.7 Å²	42.7	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-43.1	175.9	-70.8	-178.4	-69.9	0	0	113	W281 R282 S283 I287 I288 D289	W281-Q285 VanDerWaalsContact CD1-CD 3.5Å; W281-Q285 HydrophobicContact CD2-CG 3.98Å; W281-Q285 HydrophobicContact CG-CG 4.28Å; W281-Q285 HydrophobicContact CZ2-CG 3.87Å; W281-Q285 WeakPolarHBondContact O-CG 3.33Å; W281-Q285 PolarHBondContact O-N 3.03Å; R282-Q285 PolarHBondContact O-N 3.12Å; S283-Q285 VanDerWaalsContact C-N 3.31Å; S283-Q285 PolarHBondContact O-N 3.3Å; Q285-I287 VanDerWaalsContact C-N 3.28Å; Q285-I287 PolarHBondContact O-N 2.83Å; Q285-I288 WeakPolarHBondContact O-CB 2.98Å; Q285-I288 PolarHBondContact O-N 3.35Å; Q285-I288 VanDerWaalsContact O-N 3.13Å; Q285-D289 VanDerWaalsContact O-CG 3.32Å; Q285-D289 PolarHBondContact O-N 2.95Å
286	S	98.6	Very high	97.8	Very high	43 Å²	43	46.1 Å²	46.1	30%	0.301	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-33.5	178.7	54.4	0	0	0	0	113.1	R282 S283 V284 D289 F290	R282-S286 PolarHBondContact O-N 3.24Å; R282-S286 PolarHBondContact O-OG 3.27Å; S283-S286 WeakPolarHBondContact CA-OG 3.39Å; S283-S286 PolarHBondContact O-N 3.07Å; S283-S286 PolarHBondContact O-OG 3.43Å; V284-S286 PolarHBondContact O-N 3.03Å; S286-D289 PolarHBondContact O-N 3.28Å; S286-F290 PolarHBondContact O-N 2.04Å
287	I	98.7	Very high	97.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-44.8	173.2	-67.8	161.4	0	0	0	109.7	F274 V277 S283 V284 Q285 D289 F290 Y291 P310 W332	F274-I287 HydrophobicContact CD1-CG1 3.84Å; V277-I287 HydrophobicContact CB-CD1 3.62Å; V277-I287 HydrophobicContact CG2-CD1 3.64Å; S283-I287 WeakPolarHBondContact O-CG1 3.16Å; S283-I287 PolarHBondContact O-N 3.04Å; S283-I287 VanDerWaalsContact O-N 3.15Å; V284-I287 PolarHBondContact O-N 3.26Å; Q285-I287 VanDerWaalsContact C-N 3.28Å; Q285-I287 PolarHBondContact O-N 2.83Å; I287-D289 VanDerWaalsContact C-N 3.3Å; I287-D289 PolarHBondContact O-N 2.84Å; I287-F290 PolarHBondContact O-N 2.9Å; I287-Y291 HydrophobicContact CG2-CD2 3.86Å; I287-Y291 HydrophobicContact CG2-CE2 4.06Å; I287-Y291 WeakPolarHBondContact O-CD2 3.37Å; I287-Y291 PolarHBondContact O-N 3.2Å; I287-P310 HydrophobicContact CG2-CB 3.75Å; I287-W332 HydrophobicContact CB-CH2 4.11Å; I287-W332 HydrophobicContact CD1-CH2 4.42Å; I287-W332 HydrophobicContact CD1-CZ2 4.4Å; I287-W332 HydrophobicContact CG2-CH2 3.67Å; I287-W332 HydrophobicContact CG2-CZ2 3.97Å
288	I	98.5	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-43.9	176.7	-60.7	159.4	0	0	0	111.1	W281 V284 Q285 F290 Y291 D292 L331 W332 W335 F406	W281-I288 HydrophobicContact CH2-CD1 4.43Å; V284-I288 HydrophobicContact CG1-CD1 3.96Å; V284-I288 VanDerWaalsContact O-CG1 3.29Å; V284-I288 WeakPolarHBondContact O-CG1 3.49Å; V284-I288 PolarHBondContact O-N 3.18Å; Q285-I288 WeakPolarHBondContact O-CB 2.98Å; Q285-I288 PolarHBondContact O-N 3.35Å; Q285-I288 VanDerWaalsContact O-N 3.13Å; I288-F290 PolarHBondContact O-N 3.42Å; I288-Y291 PolarHBondContact O-N 2.73Å; I288-D292 WeakPolarHBondContact O-CB 3.07Å; I288-D292 PolarHBondContact O-N 2.93Å; I288-L331 HydrophobicContact CD1-CD1 3.34Å; I288-L331 HydrophobicContact CG1-CD1 3.69Å; I288-L331 HydrophobicContact CG2-CD1 4.02Å; I288-W332 HydrophobicContact CG1-CZ3 4.14Å; I288-W335 HydrophobicContact CB-CH2 4.15Å; I288-W335 HydrophobicContact CG1-CH2 3.92Å; I288-W335 HydrophobicContact CG2-CH2 4.13Å; I288-W335 HydrophobicContact CG2-CZ2 4.37Å; I288-F406 HydrophobicContact CD1-CE1 4.05Å; I288-F406 HydrophobicContact CD1-CZ 4.03Å; I288-F406 HydrophobicContact CG2-CE1 4.15Å
289	D	98.4	Very high	97.6	Very high	63 Å²	63	43.3 Å²	43.3	34%	0.337	22%	0.217	S	C	.	.	H	α-helix	trans	-62.9	-41.9	177.5	-68.6	-23.7	0	0	0	112.3	Q285 S286 I287 N293 R408	Q285-D289 VanDerWaalsContact O-CG 3.32Å; Q285-D289 PolarHBondContact O-N 2.95Å; S286-D289 PolarHBondContact O-N 3.28Å; I287-D289 VanDerWaalsContact C-N 3.3Å; I287-D289 PolarHBondContact O-N 2.84Å; D289-N293 WeakPolarHBondContact O-CB 3.39Å; D289-N293 PolarHBondContact O-N 3.31Å; D289-N293 PolarHBondContact O-ND2 3.31Å; D289-R408 IonicContact OD1-CZ 2.64Å; D289-R408 IonicContact OD1-NH1 3.94Å; D289-R408 PolarHBondContact OD1-NH1 3.35Å; D289-R408 IonicContact OD1-NH2 2.86Å; D289-R408 PolarHBondContact OD1-NH2 3.32Å; D289-R408 IonicContact OD2-NH1 2.95Å
290	F	98.4	Very high	97.7	Very high	21 Å²	21	49.4 Å²	49.4	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-49	175.2	174.4	-88.6	0	0	0	111.4	W252 N273 F274 S286 I287 I288 N293 Q294 L298	W252-F290 AromaticContact CD1-CZ 3.89Å; W252-F290 HydrophobicContact CD2-CE2 4.34Å; W252-F290 AromaticContact CE2-CZ 3.96Å; W252-F290 HydrophobicContact CG-CE2 4.38Å; W252-F290 HydrophobicContact CZ2-CZ 4.47Å; W252-F290 AromaticContact NE1-CZ 3.52Å; N273-F290 HydrophobicContact CB-CE1 3.58Å; N273-F290 HydrophobicContact CB-CZ 3.98Å; F274-F290 HydrophobicContact CB-CD1 4.19Å; F274-F290 HydrophobicContact CB-CE1 4.49Å; F274-F290 HydrophobicContact CB-CG 4.3Å; F274-F290 HydrophobicContact CD1-CB 4.43Å; F274-F290 HydrophobicContact CD2-CB 3.89Å; F274-F290 HydrophobicContact CD2-CD1 4.19Å; F274-F290 AromaticContact CD2-CD2 3.27Å; F274-F290 HydrophobicContact CD2-CD2 3.27Å; F274-F290 AromaticContact CD2-CE2 3.78Å; F274-F290 HydrophobicContact CD2-CE2 3.78Å; F274-F290 AromaticContact CD2-CG 3.49Å; F274-F290 HydrophobicContact CD2-CG 3.49Å; F274-F290 VanDerWaalsContact CD2-CG 3.49Å; F274-F290 HydrophobicContact CD2-CZ 4.43Å; F274-F290 HydrophobicContact CE2-CB 4Å; F274-F290 AromaticContact CE2-CD2 3.56Å; F274-F290 HydrophobicContact CE2-CD2 3.56Å; F274-F290 HydrophobicContact CE2-CE2 4.33Å; F274-F290 AromaticContact CE2-CG 3.96Å; F274-F290 HydrophobicContact CE2-CG 3.96Å; F274-F290 HydrophobicContact CG-CB 4.11Å; F274-F290 HydrophobicContact CG-CD1 4.32Å; F274-F290 HydrophobicContact CG-CD2 4.16Å; F274-F290 AromaticContact CG-CG 3.92Å; F274-F290 HydrophobicContact CG-CG 3.92Å; F274-F290 HydrophobicContact CZ-CB 4.32Å; S286-F290 PolarHBondContact O-N 2.04Å; I287-F290 PolarHBondContact O-N 2.9Å; I288-F290 PolarHBondContact O-N 3.42Å; F290-N293 PolarHBondContact O-N 3.41Å; F290-Q294 HydrophobicContact CD2-CG 4.17Å; F290-Q294 HydrophobicContact CE1-CB 4.37Å; F290-Q294 HydrophobicContact CE1-CG 4.18Å; F290-Q294 HydrophobicContact CE2-CG 3.83Å; F290-Q294 HydrophobicContact CZ-CB 4.42Å; F290-Q294 HydrophobicContact CZ-CG 3.84Å; F290-Q294 WeakPolarHBondContact O-CB 3.31Å; F290-Q294 WeakPolarHBondContact O-CG 3.19Å; F290-Q294 PolarHBondContact O-N 3.49Å; F290-L298 HydrophobicContact CE1-CD1 4.25Å
291	Y	98.4	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-41.4	-178.5	-88.8	-103.5	0	0	0	112.2	N273 I287 I288 N293 Q294 I295 L298 N308 D309 P310 W335 M372	N273-Y291 HydrophobicContact CB-CE2 4.45Å; N273-Y291 PolarHBondContact ND2-OH 2.81Å; I287-Y291 HydrophobicContact CG2-CD2 3.86Å; I287-Y291 HydrophobicContact CG2-CE2 4.06Å; I287-Y291 WeakPolarHBondContact O-CD2 3.37Å; I287-Y291 PolarHBondContact O-N 3.2Å; I288-Y291 PolarHBondContact O-N 2.73Å; Y291-N293 VanDerWaalsContact C-N 3.29Å; Y291-N293 PolarHBondContact O-N 2.78Å; Y291-Q294 PolarHBondContact O-N 2.88Å; Y291-I295 WeakPolarHBondContact O-CA 3.3Å; Y291-I295 WeakPolarHBondContact O-CB 3.42Å; Y291-I295 PolarHBondContact O-N 3.21Å; Y291-L298 HydrophobicContact CD1-CD1 3.81Å; Y291-L298 HydrophobicContact CE1-CD1 3.85Å; Y291-L298 HydrophobicContact CG-CD1 4.28Å; Y291-N308 HydrophobicContact CE1-CB 4Å; Y291-D309 PolarHBondContact OH-N 2.72Å; Y291-D309 PolarHBondContact OH-O 2.88Å; Y291-P310 HydrophobicContact CD2-CB 4.18Å; Y291-P310 HydrophobicContact CE1-CB 4.19Å; Y291-P310 HydrophobicContact CE2-CB 3.56Å; Y291-P310 WeakPolarHBondContact OH-CA 3.47Å; Y291-W335 HydrophobicContact CD1-CD2 4.07Å; Y291-W335 HydrophobicContact CD1-CE3 4.03Å; Y291-W335 HydrophobicContact CD1-CZ3 4.43Å; Y291-W335 HydrophobicContact CG-CD2 4.46Å; Y291-W335 HydrophobicContact CG-CE3 4.23Å; Y291-W335 HydrophobicContact CG-CH2 4.32Å; Y291-W335 HydrophobicContact CG-CZ2 4.5Å; Y291-W335 HydrophobicContact CG-CZ3 4.17Å; Y291-M372 HydrophobicContact CD1-CE 3.47Å; Y291-M372 VanDerWaalsContact CD1-CE 3.47Å; Y291-M372 HydrophobicContact CE1-CE 3.83Å
292	D	97.7	Very high	97.8	Very high	16 Å²	16	50.2 Å²	50.2	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-55.9	-44.7	172.6	-85.4	1.1	0	0	0	111.6	I288 I295 K375 Y385 R408	I288-D292 WeakPolarHBondContact O-CB 3.07Å; I288-D292 PolarHBondContact O-N 2.93Å; D292-I295 WeakPolarHBondContact O-CG2 3.34Å; D292-K375 IonicContact OD2-NZ 2.75Å; D292-K375 PolarHBondContact OD2-NZ 2.88Å; D292-Y385 WeakPolarHBondContact OD1-CE1 3.45Å; D292-Y385 PolarHBondContact OD1-OH 3.17Å; D292-Y385 PolarHBondContact OD2-OH 2.85Å; D292-R408 IonicContact OD2-NH2 3.16Å; D292-R408 PolarHBondContact OD2-NH2 3.37Å; D292-R408 VanDerWaalsContact OD2-NH2 3.08Å
293	N	97.6	Very high	97.8	Very high	121 Å²	121	41.1 Å²	41.1	65%	0.647	21%	0.208	S	C	*	.	H	α-helix	trans	-75.8	-29.8	-176.6	-70.8	-31.5	0	0	0	113	D289 F290 Y291	D289-N293 WeakPolarHBondContact O-CB 3.39Å; D289-N293 PolarHBondContact O-N 3.31Å; D289-N293 PolarHBondContact O-ND2 3.31Å; F290-N293 PolarHBondContact O-N 3.41Å; Y291-N293 VanDerWaalsContact C-N 3.29Å; Y291-N293 PolarHBondContact O-N 2.78Å
294	Q	97.2	Very high	97.8	Very high	48 Å²	48	43.7 Å²	43.7	22%	0.224	23%	0.225	C	C	.	.	H	α-helix	trans	-101.3	1.8	-175.6	-60.4	-55.9	-38.3	0	0	113.9	W252 F290 Y291 H296 T297 L298	W252-Q294 HydrophobicContact CZ2-CG 4.3Å; F290-Q294 HydrophobicContact CD2-CG 4.17Å; F290-Q294 HydrophobicContact CE1-CB 4.37Å; F290-Q294 HydrophobicContact CE1-CG 4.18Å; F290-Q294 HydrophobicContact CE2-CG 3.83Å; F290-Q294 HydrophobicContact CZ-CB 4.42Å; F290-Q294 HydrophobicContact CZ-CG 3.84Å; F290-Q294 WeakPolarHBondContact O-CB 3.31Å; F290-Q294 WeakPolarHBondContact O-CG 3.19Å; F290-Q294 PolarHBondContact O-N 3.49Å; Y291-Q294 PolarHBondContact O-N 2.88Å; Q294-H296 VanDerWaalsContact C-N 3.27Å; Q294-H296 PolarHBondContact O-N 3.48Å; Q294-H296 VanDerWaalsContact O-N 3.08Å; Q294-T297 PolarHBondContact O-N 3.08Å; Q294-L298 HydrophobicContact CB-CD1 3.83Å; Q294-L298 HydrophobicContact CB-CG 3.9Å; Q294-L298 WeakPolarHBondContact O-CG 3.38Å; Q294-L298 PolarHBondContact O-N 2.92Å
295	I	96.9	Very high	97.7	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-52.3	-38.9	-170.9	-170.5	58.9	0	0	0	114.2	Y291 D292 T297 S299 M372 G373 K374	Y291-I295 WeakPolarHBondContact O-CA 3.3Å; Y291-I295 WeakPolarHBondContact O-CB 3.42Å; Y291-I295 PolarHBondContact O-N 3.21Å; D292-I295 WeakPolarHBondContact O-CG2 3.34Å; I295-T297 PolarHBondContact O-N 3.48Å; I295-S299 WeakPolarHBondContact O-CB 3.47Å; I295-S299 PolarHBondContact O-N 3.42Å; I295-S299 PolarHBondContact O-OG 3.05Å; I295-M372 HydrophobicContact CD1-CE 3.52Å; I295-M372 HydrophobicContact CD1-CG 3.76Å; I295-M372 HydrophobicContact CD1-SD 3.5Å; I295-M372 VanDerWaalsContact CD1-SD 3.5Å; I295-G373 WeakPolarHBondContact CD1-O 3.35Å; I295-K374 HydrophobicContact CD1-CG 4.24Å; I295-K374 HydrophobicContact CG1-CB 4.25Å; I295-K374 HydrophobicContact CG1-CD 4.39Å; I295-K374 HydrophobicContact CG1-CG 3.78Å
296	H	95.5	Very high	97.7	Very high	153 Å²	153	45.5 Å²	45.5	71%	0.708	24%	0.236	S	C	*	.	H	α-helix	trans	-66.2	-36.6	-179.7	-67.7	-69.4	0	0	0	112.7	Q294	Q294-H296 VanDerWaalsContact C-N 3.27Å; Q294-H296 PolarHBondContact O-N 3.48Å; Q294-H296 VanDerWaalsContact O-N 3.08Å
297	T	96.5	Very high	97.7	Very high	36 Å²	36	43.5 Å²	43.5	22%	0.221	22%	0.222	C	C	.	.	H	α-helix	trans	-74.4	-51.9	174.4	-59.5	0	0	0	0	110.3	L258 Y261 Q294 I295 S299 K300	L258-T297 HydrophobicContact CD1-CG2 3.52Å; L258-T297 HydrophobicContact CD2-CG2 4.13Å; L258-T297 HydrophobicContact CG-CG2 4.18Å; Y261-T297 HydrophobicContact CD2-CG2 3.76Å; Y261-T297 HydrophobicContact CE2-CG2 3.65Å; Q294-T297 PolarHBondContact O-N 3.08Å; I295-T297 PolarHBondContact O-N 3.48Å; T297-S299 VanDerWaalsContact C-N 3.35Å; T297-S299 PolarHBondContact O-N 2.85Å; T297-K300 WeakPolarHBondContact O-CB 3.49Å; T297-K300 PolarHBondContact O-N 3.18Å
298	L	98.1	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-43.3	-172.6	-66.4	-179.1	0	0	0	111.5	Y261 F290 Y291 Q294 K300 Y301 H302 N308 M372	Y261-L298 HydrophobicContact CE1-CD2 3.97Å; Y261-L298 HydrophobicContact CE2-CD2 4.3Å; Y261-L298 VanDerWaalsContact OH-CD2 3.27Å; Y261-L298 WeakPolarHBondContact OH-CD2 3.41Å; F290-L298 HydrophobicContact CE1-CD1 4.25Å; Y291-L298 HydrophobicContact CD1-CD1 3.81Å; Y291-L298 HydrophobicContact CE1-CD1 3.85Å; Y291-L298 HydrophobicContact CG-CD1 4.28Å; Q294-L298 HydrophobicContact CB-CD1 3.83Å; Q294-L298 HydrophobicContact CB-CG 3.9Å; Q294-L298 WeakPolarHBondContact O-CG 3.38Å; Q294-L298 PolarHBondContact O-N 2.92Å; L298-K300 PolarHBondContact O-N 3.44Å; L298-Y301 PolarHBondContact O-N 3.46Å; L298-H302 WeakPolarHBondContact O-CB 3.49Å; L298-H302 PolarHBondContact O-N 3.24Å; L298-N308 PolarHBondContact O-ND2 3.36Å; L298-N308 VanDerWaalsContact O-ND2 3.1Å; L298-M372 HydrophobicContact CB-CE 4.27Å; L298-M372 HydrophobicContact CB-SD 4.08Å; L298-M372 HydrophobicContact CD1-CE 4.34Å
299	S	97.5	Very high	97.7	Very high	29 Å²	29	44 Å²	44	20%	0.203	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-67	-16.9	-178.9	60.5	0	0	0	0	114.4	I295 T297 Y301	I295-S299 WeakPolarHBondContact O-CB 3.47Å; I295-S299 PolarHBondContact O-N 3.42Å; I295-S299 PolarHBondContact O-OG 3.05Å; T297-S299 VanDerWaalsContact C-N 3.35Å; T297-S299 PolarHBondContact O-N 2.85Å; S299-Y301 VanDerWaalsContact C-N 3.32Å
300	K	97.4	Very high	97.7	Very high	155 Å²	155	41.1 Å²	41.1	67%	0.674	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-70.7	-28.2	177.6	-176.3	177.6	177.3	-176.5	0	113	T297 L298	T297-K300 WeakPolarHBondContact O-CB 3.49Å; T297-K300 PolarHBondContact O-N 3.18Å; L298-K300 PolarHBondContact O-N 3.44Å
301	Y	97.5	Very high	97.7	Very high	70 Å²	70	40.6 Å²	40.6	28%	0.275	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-117	17	-175.4	-55.8	-82.9	0	0	0	112.1	Y261 W271 L298 S299 H306	Y261-Y301 HydrophobicContact CD2-CD2 4.42Å; Y261-Y301 HydrophobicContact CG-CD2 4.03Å; Y261-Y301 HydrophobicContact CG-CE2 4.42Å; W271-Y301 WeakPolarHBondContact CH2-O 3.33Å; W271-Y301 WeakPolarHBondContact CZ2-O 3.47Å; L298-Y301 PolarHBondContact O-N 3.46Å; S299-Y301 VanDerWaalsContact C-N 3.32Å; Y301-H306 WeakPolarHBondContact O-CB 3.37Å
302	H	98.2	Very high	97.7	Very high	24 Å²	24	40.6 Å²	40.6	11%	0.111	21%	0.207	C	C	.	.			trans	-108.6	134.6	-176.3	-171.6	98.8	0	0	0	110.8	L298 H306 W307 N308 W335 S336 G370	L298-H302 WeakPolarHBondContact O-CB 3.49Å; L298-H302 PolarHBondContact O-N 3.24Å; H302-H306 CarbonylContact C-O 3.5Å; H302-H306 WeakPolarHBondContact CA-O 3.35Å; H302-W307 AromaticContact CE1-CE3 3.62Å; H302-W307 AromaticContact NE2-CE3 3.41Å; H302-W307 AromaticContact NE2-CZ3 3.58Å; H302-N308 WeakPolarHBondContact CB-ND2 3.36Å; H302-N308 PolarHBondContact ND1-N 3Å; H302-N308 PolarHBondContact ND1-ND2 2.84Å; H302-N308 VanDerWaalsContact ND1-ND2 3.1Å; H302-W335 PolarHBondContact CE1-O 3.05Å; H302-W335 VanDerWaalsContact CE1-O 3.26Å; H302-W335 PolarHBondContact NE2-O 3.16Å; H302-W335 VanDerWaalsContact NE2-O 3.09Å; H302-S336 PolarHBondContact CE1-O 3.31Å; H302-S336 VanDerWaalsContact CE1-O 3.3Å; H302-S336 PolarHBondContact NE2-O 3.01Å; H302-G370 PolarHBondContact CD2-O 3.31Å; H302-G370 VanDerWaalsContact CD2-O 3.31Å
303	G	97.4	Very high	97.8	Very high	10 Å²	10	39.8 Å²	39.8	10%	0.103	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	161.7	-170.8	176.9	0	0	0	0	0	112.1	G305 H306 W307	G303-G305 PolarHBondContact O-N 3.06Å; G303-G305 VanDerWaalsContact O-N 3.15Å; G303-H306 PolarHBondContact N-O 3.3Å; G303-H306 CarbonylContact O-C 3.6Å; G303-H306 WeakPolarHBondContact O-CA 3.19Å; G303-H306 PolarHBondContact O-N 3.4Å; G303-W307 VanDerWaalsContact C-CH2 3.48Å; G303-W307 WeakPolarHBondContact O-CH2 3.41Å; G303-W307 WeakPolarHBondContact O-CZ2 3.46Å
304	P	97.8	Very high	97.8	Very high	69 Å²	69	34.1 Å²	34.1	45%	0.448	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	121.2	178.6	-29.2	37.1	0	0	0	112.9
305	G	97.1	Very high	97.9	Very high	12 Å²	12	31.8 Å²	31.8	12%	0.124	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-5.4	-175.3	0	0	0	0	0	115.4	A81 H269 G303	A81-G305 VanDerWaalsContact O-CA 3.26Å; A81-G305 WeakPolarHBondContact O-CA 3.45Å; A81-G305 PolarHBondContact O-N 3.12Å; H269-G305 WeakPolarHBondContact CA-O 3.49Å; G303-G305 PolarHBondContact O-N 3.06Å; G303-G305 VanDerWaalsContact O-N 3.15Å
306	H	98.1	Very high	97.9	Very high	72 Å²	72	32.2 Å²	32.2	33%	0.333	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-147.7	92.4	-162.8	-63.2	-42.8	0	0	0	112	S265 H269 W271 Y301 H302 G303	S265-H306 PolarHBondContact O-CE1 3.32Å; S265-H306 PolarHBondContact O-ND1 3.32Å; S265-H306 VanDerWaalsContact O-ND1 3.14Å; H269-H306 WeakPolarHBondContact O-CA 3.27Å; W271-H306 HydrophobicContact CH2-CB 3.75Å; W271-H306 HydrophobicContact CZ3-CB 4.27Å; Y301-H306 WeakPolarHBondContact O-CB 3.37Å; H302-H306 CarbonylContact C-O 3.5Å; H302-H306 WeakPolarHBondContact CA-O 3.35Å; G303-H306 PolarHBondContact N-O 3.3Å; G303-H306 CarbonylContact O-C 3.6Å; G303-H306 WeakPolarHBondContact O-CA 3.19Å; G303-H306 PolarHBondContact O-N 3.4Å
307	W	98.8	Very high	97.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.5	-170.1	-51	107.8	0	0	0	113.1	A81 R83 P84 H269 T270 W271 H302 G303 P338	A81-W307 WeakPolarHBondContact O-CZ2 3.49Å; A81-W307 PolarHBondContact O-NE1 3.38Å; R83-W307 VanDerWaalsContact CA-CZ2 3.41Å; R83-W307 PolarHBondContact O-NE1 3.18Å; P84-W307 HydrophobicContact CB-CD2 4.05Å; P84-W307 HydrophobicContact CB-CE3 4.26Å; P84-W307 HydrophobicContact CB-CG 4.28Å; P84-W307 HydrophobicContact CG-CD2 3.82Å; P84-W307 HydrophobicContact CG-CE3 3.62Å; P84-W307 HydrophobicContact CG-CH2 3.99Å; P84-W307 HydrophobicContact CG-CZ2 4.17Å; P84-W307 HydrophobicContact CG-CZ3 3.72Å; P84-W307 VanDerWaalsContact N-CE2 3.31Å; H269-W307 PolarHBondContact O-N 3.14Å; T270-W307 VanDerWaalsContact CA-O 3.27Å; T270-W307 WeakPolarHBondContact CA-O 3.05Å; T270-W307 PolarHBondContact OG1-O 3.38Å; W271-W307 PolarHBondContact N-O 2.91Å; W271-W307 VanDerWaalsContact N-O 3.07Å; H302-W307 AromaticContact CE1-CE3 3.62Å; H302-W307 AromaticContact NE2-CE3 3.41Å; H302-W307 AromaticContact NE2-CZ3 3.58Å; G303-W307 VanDerWaalsContact C-CH2 3.48Å; G303-W307 WeakPolarHBondContact O-CH2 3.41Å; G303-W307 WeakPolarHBondContact O-CZ2 3.46Å; W307-P338 HydrophobicContact CB-CG 4.02Å
308	N	98.7	Very high	97.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.011	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.8	169.8	-71.3	-60.4	0	0	0	107.9	W271 N273 Y291 L298 H302 P310 P338	W271-N308 PolarHBondContact NE1-OD1 3.25Å; N273-N308 WeakPolarHBondContact ND2-CB 3.45Å; N273-N308 PolarHBondContact ND2-OD1 3.39Å; Y291-N308 HydrophobicContact CE1-CB 4Å; L298-N308 PolarHBondContact O-ND2 3.36Å; L298-N308 VanDerWaalsContact O-ND2 3.1Å; H302-N308 WeakPolarHBondContact CB-ND2 3.36Å; H302-N308 PolarHBondContact ND1-N 3Å; H302-N308 PolarHBondContact ND1-ND2 2.84Å; H302-N308 VanDerWaalsContact ND1-ND2 3.1Å; N308-P310 VanDerWaalsContact O-CD 3.23Å; N308-P310 WeakPolarHBondContact O-CD 3.28Å; N308-P338 VanDerWaalsContact O-CD 3.22Å; N308-P338 WeakPolarHBondContact O-CD 3.36Å
309	D	98.7	Very high	97.1	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.5	-177.1	-164	-18.1	0	0	0	110.7	W271 N273 Y291 D311 P338	W271-D309 VanDerWaalsContact O-CB 3.25Å; W271-D309 WeakPolarHBondContact O-CB 3.41Å; W271-D309 PolarHBondContact O-N 3.07Å; N273-D309 PolarHBondContact N-O 3.19Å; Y291-D309 PolarHBondContact OH-N 2.72Å; Y291-D309 PolarHBondContact OH-O 2.88Å; D309-D311 PolarHBondContact O-N 3.39Å; D309-D311 VanDerWaalsContact OD1-CA 3.3Å; D309-D311 WeakPolarHBondContact OD1-CA 3.34Å; D309-D311 PolarHBondContact OD1-N 3.4Å; D309-P338 HydrophobicContact CB-CG 4.13Å
310	P	98.7	Very high	97.1	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.019	19%	0.192	C	C	.	.			trans	-78.4	11.9	172.2	32.5	-36.1	0	0	0	113.1	I287 Y291 N308 W332 A337	I287-P310 HydrophobicContact CG2-CB 3.75Å; Y291-P310 HydrophobicContact CD2-CB 4.18Å; Y291-P310 HydrophobicContact CE1-CB 4.19Å; Y291-P310 HydrophobicContact CE2-CB 3.56Å; Y291-P310 WeakPolarHBondContact OH-CA 3.47Å; N308-P310 VanDerWaalsContact O-CD 3.23Å; N308-P310 WeakPolarHBondContact O-CD 3.28Å; P310-W332 HydrophobicContact CB-CD2 4.41Å; P310-W332 HydrophobicContact CB-CZ2 3.85Å; P310-W332 HydrophobicContact CG-CD2 4.04Å; P310-W332 HydrophobicContact CG-CG 3.99Å; P310-W332 HydrophobicContact CG-CZ2 4.23Å; P310-W332 VanDerWaalsContact CG-NE1 3.35Å; P310-W332 WeakPolarHBondContact O-CZ2 3.32Å; P310-A337 VanDerWaalsContact CD-CB 3.49Å; P310-A337 HydrophobicContact CG-CB 3.49Å; P310-A337 VanDerWaalsContact CG-CB 3.49Å
311	D	98.5	Very high	97.1	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.048	18%	0.177	C	C	.	.			trans	71.4	-179.6	-177.2	-157.9	13.2	0	0	0	113.6	R272 D276 V277 D309 W332	R272-D311 HydrophobicContact CG-CB 4.49Å; D276-D311 WeakPolarHBondContact CA-OD2 3.38Å; V277-D311 HydrophobicContact CB-CB 4.23Å; V277-D311 HydrophobicContact CG1-CB 4.11Å; V277-D311 WeakPolarHBondContact CG1-OD2 3.15Å; V277-D311 PolarHBondContact N-OD2 3.06Å; D309-D311 PolarHBondContact O-N 3.39Å; D309-D311 VanDerWaalsContact OD1-CA 3.3Å; D309-D311 WeakPolarHBondContact OD1-CA 3.34Å; D309-D311 PolarHBondContact OD1-N 3.4Å; D311-W332 PolarHBondContact O-NE1 2.96Å
312	M	98.7	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.			trans	-61.4	150.8	-164.8	-63.9	160.1	-80.8	0	0	116	I89 W91 T92 V277 V314 Q328 F340 S342	I89-M312 HydrophobicContact CB-CG 4Å; I89-M312 HydrophobicContact CB-SD 3.63Å; I89-M312 HydrophobicContact CD1-CG 4.09Å; I89-M312 HydrophobicContact CG2-CG 4.37Å; I89-M312 HydrophobicContact CG2-SD 3.5Å; I89-M312 VanDerWaalsContact CG2-SD 3.5Å; W91-M312 HydrophobicContact CB-CE 3.75Å; W91-M312 HydrophobicContact CB-SD 3.92Å; W91-M312 HydrophobicContact CG-CE 4.13Å; T92-M312 WeakPolarHBondContact OG1-CE 3.25Å; V277-M312 HydrophobicContact CG1-CB 3.98Å; V277-M312 HydrophobicContact CG1-CE 4.34Å; V277-M312 WeakPolarHBondContact CG1-O 3.22Å; M312-V314 PolarHBondContact O-N 3.44Å; M312-Q328 PolarHBondContact O-NE2 2.93Å; M312-F340 CarbonylContact C-O 3.34Å; M312-F340 WeakPolarHBondContact CA-O 3.38Å; M312-F340 WeakPolarHBondContact CB-O 3.12Å; M312-F340 HydrophobicContact CG-CB 4.28Å; M312-S342 WeakPolarHBondContact SD-CB 3.23Å
313	L	98.8	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-74.5	114.7	165	-60.6	173.1	0	0	0	109.6	I315 Q328 M329 W332 L339 F340 S342 L356	L313-I315 VanDerWaalsContact C-N 3.25Å; L313-I315 HydrophobicContact CB-CD1 4.31Å; L313-I315 HydrophobicContact CB-CG1 4.47Å; L313-I315 HydrophobicContact CD2-CD1 4.18Å; L313-I315 PolarHBondContact O-N 3.11Å; L313-Q328 HydrophobicContact CD2-CG 4Å; L313-M329 HydrophobicContact CD1-SD 3.95Å; L313-W332 HydrophobicContact CD2-CB 4.09Å; L313-W332 HydrophobicContact CD2-CD2 4.22Å; L313-W332 HydrophobicContact CD2-CG 3.69Å; L313-L339 HydrophobicContact CD1-CB 4.04Å; L313-L339 HydrophobicContact CD1-CD2 4.24Å; L313-F340 PolarHBondContact N-O 3.31Å; L313-S342 PolarHBondContact O-N 3.45Å; L313-L356 HydrophobicContact CD1-CD2 3.98Å
314	V	98.5	Very high	97.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.183	C	C	.	.			trans	-93.7	16.5	177.6	-64.5	0	0	0	0	112.2	T92 V277 A279 V284 M312 G316 S317 L320	T92-V314 HydrophobicContact CG2-CG1 3.47Å; T92-V314 VanDerWaalsContact CG2-CG1 3.47Å; V277-V314 HydrophobicContact CG1-CG1 3.92Å; V277-V314 HydrophobicContact CG2-CG1 4.06Å; V277-V314 HydrophobicContact CG2-CG2 4.39Å; A279-V314 HydrophobicContact CB-CB 4.4Å; A279-V314 HydrophobicContact CB-CG1 4.45Å; V284-V314 HydrophobicContact CG2-CG2 3.98Å; M312-V314 PolarHBondContact O-N 3.44Å; V314-G316 PolarHBondContact O-N 2.82Å; V314-S317 WeakPolarHBondContact O-CB 3.1Å; V314-S317 PolarHBondContact O-N 3.38Å; V314-L320 HydrophobicContact CG2-CD1 4.07Å; V314-L320 HydrophobicContact CG2-CD2 3.82Å
315	I	98.5	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	130	176.5	-62.7	169.4	0	0	0	109.2	L313 A325 Q328 M329 N343 Y352 I355 L356	L313-I315 VanDerWaalsContact C-N 3.25Å; L313-I315 HydrophobicContact CB-CD1 4.31Å; L313-I315 HydrophobicContact CB-CG1 4.47Å; L313-I315 HydrophobicContact CD2-CD1 4.18Å; L313-I315 PolarHBondContact O-N 3.11Å; I315-A325 HydrophobicContact CB-CB 4.35Å; I315-A325 WeakPolarHBondContact CD1-O 3.43Å; I315-A325 HydrophobicContact CG1-CB 3.98Å; I315-A325 HydrophobicContact CG2-CB 3.94Å; I315-Q328 HydrophobicContact CG1-CB 4.48Å; I315-M329 HydrophobicContact CD1-CB 3.73Å; I315-M329 HydrophobicContact CD1-CG 4.48Å; I315-M329 HydrophobicContact CD1-SD 4.34Å; I315-N343 PolarHBondContact O-ND2 3.03Å; I315-Y352 HydrophobicContact CG2-CD1 4Å; I315-Y352 HydrophobicContact CG2-CG 4.37Å; I315-I355 HydrophobicContact CD1-CG2 4.06Å; I315-I355 HydrophobicContact CG2-CG2 4.39Å; I315-L356 HydrophobicContact CB-CD1 4.36Å; I315-L356 HydrophobicContact CB-CD2 3.99Å; I315-L356 HydrophobicContact CB-CG 4.19Å; I315-L356 HydrophobicContact CD1-CD2 3.9Å; I315-L356 HydrophobicContact CG2-CD1 3.98Å; I315-L356 HydrophobicContact CG2-CD2 4.09Å; I315-L356 HydrophobicContact CG2-CG 3.75Å
316	G	95.9	Very high	97.3	Very high	21 Å²	21	33 Å²	33	22%	0.216	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.1	-8.4	-171	0	0	0	0	0	113.9	V314	V314-G316 PolarHBondContact O-N 2.82Å
317	S	92.1	Very high	97.3	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	15%	0.151	C	C	.	.			trans	-63.8	138.9	165.1	179.5	0	0	0	0	111.2	V314 K319 L320	V314-S317 WeakPolarHBondContact O-CB 3.1Å; V314-S317 PolarHBondContact O-N 3.38Å; S317-K319 PolarHBondContact O-N 2.93Å; S317-K319 VanDerWaalsContact O-N 3.12Å; S317-K319 PolarHBondContact OG-N 2.88Å; S317-L320 PolarHBondContact O-N 3.13Å
318	E	88.3	Confident	97.3	Very high	171 Å²	171	29.6 Å²	29.6	80%	0.799	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.7	174.1	-58.5	-168.3	143.6	0	0	113.7
319	K	93.7	Very high	97.3	Very high	156 Å²	156	29.5 Å²	29.5	68%	0.678	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.1	-178	-66.2	179.9	176	-179.1	0	114.1	A279 S317	A279-K319 WeakPolarHBondContact O-CB 3.22Å; A279-K319 WeakPolarHBondContact O-CD 3.3Å; S317-K319 PolarHBondContact O-N 2.93Å; S317-K319 VanDerWaalsContact O-N 3.12Å; S317-K319 PolarHBondContact OG-N 2.88Å
320	L	97.2	Very high	97.3	Very high	3 Å²	3	29 Å²	29	2%	0.016	15%	0.148	C	C	.	.	S	Bend	trans	-112.1	133.7	174.7	-87.7	72	0	0	0	109.9	V284 V314 S317 Q324 Y352	V284-L320 HydrophobicContact CG2-CD2 4.42Å; V314-L320 HydrophobicContact CG2-CD1 4.07Å; V314-L320 HydrophobicContact CG2-CD2 3.82Å; S317-L320 PolarHBondContact O-N 3.13Å; L320-Q324 HydrophobicContact CB-CB 4.37Å; L320-Q324 HydrophobicContact CG-CB 4.32Å; L320-Y352 PolarHBondContact O-OH 3.49Å
321	T	97.3	Very high	97.3	Very high	60 Å²	60	28.9 Å²	28.9	37%	0.368	15%	0.147	S	C	.	.			trans	-69.7	160	168.9	70	0	0	0	0	110.4	D323 Q324 A325	T321-D323 PolarHBondContact O-N 2.91Å; T321-Q324 PolarHBondContact O-N 3.44Å; T321-Q324 VanDerWaalsContact OG1-CG 3.27Å; T321-Q324 WeakPolarHBondContact OG1-CG 3.43Å; T321-Q324 PolarHBondContact OG1-N 3.3Å; T321-A325 PolarHBondContact O-N 3.28Å
322	P	97.8	Very high	97.3	Very high	40 Å²	40	28.5 Å²	28.5	26%	0.26	15%	0.145	S	C	.	.	H	α-helix	trans	-54.3	-36.2	172.1	-30.2	38.1	0	0	0	113.9	A325 R326 V351 Y352	P322-A325 PolarHBondContact O-N 2.73Å; P322-R326 WeakPolarHBondContact O-CG 3.22Å; P322-R326 PolarHBondContact O-N 2.87Å; P322-V351 HydrophobicContact CB-CG2 3.98Å; P322-V351 HydrophobicContact CG-CG1 4.29Å; P322-V351 HydrophobicContact CG-CG2 4.21Å; P322-Y352 HydrophobicContact CG-CE1 4.43Å
323	D	98.4	Very high	97.4	Very high	44 Å²	44	28.5 Å²	28.5	24%	0.235	15%	0.145	C	C	.	.	H	α-helix	trans	-71.1	-39.2	178.8	-65.1	-39.3	0	0	0	112.5	T321 A325 R326 A327	T321-D323 PolarHBondContact O-N 2.91Å; D323-A325 VanDerWaalsContact C-N 3.33Å; D323-A325 PolarHBondContact O-N 3.37Å; D323-R326 WeakPolarHBondContact O-CB 3.35Å; D323-R326 PolarHBondContact O-N 3.13Å; D323-R326 IonicContact OD1-CZ 2.87Å; D323-R326 IonicContact OD1-NE 2.84Å; D323-R326 PolarHBondContact OD1-NE 3.3Å; D323-R326 VanDerWaalsContact OD1-NE 3.15Å; D323-R326 IonicContact OD1-NH2 3.85Å; D323-R326 PolarHBondContact OD1-NH2 2.82Å; D323-A327 PolarHBondContact O-N 2.66Å
324	Q	98.5	Very high	97.4	Very high	25 Å²	25	28.5 Å²	28.5	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-63.4	-39.3	171.8	-70.9	169.3	-8.2	0	0	111.9	W281 L320 T321 A327 Q328 T458	W281-Q324 HydrophobicContact CD2-CB 4.03Å; W281-Q324 HydrophobicContact CD2-CG 3.54Å; W281-Q324 HydrophobicContact CE3-CB 3.54Å; W281-Q324 HydrophobicContact CE3-CG 3.63Å; W281-Q324 HydrophobicContact CG-CG 3.95Å; W281-Q324 HydrophobicContact CH2-CB 4.45Å; W281-Q324 HydrophobicContact CH2-CG 4.41Å; W281-Q324 HydrophobicContact CZ2-CG 4.33Å; W281-Q324 HydrophobicContact CZ3-CB 3.79Å; W281-Q324 HydrophobicContact CZ3-CG 4.07Å; W281-Q324 WeakPolarHBondContact CZ3-O 3.43Å; L320-Q324 HydrophobicContact CB-CB 4.37Å; L320-Q324 HydrophobicContact CG-CB 4.32Å; T321-Q324 PolarHBondContact O-N 3.44Å; T321-Q324 VanDerWaalsContact OG1-CG 3.27Å; T321-Q324 WeakPolarHBondContact OG1-CG 3.43Å; T321-Q324 PolarHBondContact OG1-N 3.3Å; Q324-A327 PolarHBondContact O-N 3.44Å; Q324-Q328 PolarHBondContact O-N 3.3Å; Q324-T458 HydrophobicContact CG-CG2 4.48Å; Q324-T458 WeakPolarHBondContact CG-OG1 3.33Å
325	A	98.7	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-41.4	174.7	0	0	0	0	0	112.1	I315 T321 P322 D323 A327 Q328 M329 Y352 I355	I315-A325 HydrophobicContact CB-CB 4.35Å; I315-A325 WeakPolarHBondContact CD1-O 3.43Å; I315-A325 HydrophobicContact CG1-CB 3.98Å; I315-A325 HydrophobicContact CG2-CB 3.94Å; T321-A325 PolarHBondContact O-N 3.28Å; P322-A325 PolarHBondContact O-N 2.73Å; D323-A325 VanDerWaalsContact C-N 3.33Å; D323-A325 PolarHBondContact O-N 3.37Å; A325-A327 VanDerWaalsContact C-N 3.33Å; A325-Q328 PolarHBondContact O-N 3.25Å; A325-M329 PolarHBondContact O-N 3.27Å; A325-Y352 HydrophobicContact CB-CD1 3.76Å; A325-Y352 HydrophobicContact CB-CE1 3.85Å; A325-I355 HydrophobicContact CB-CD1 3.84Å
326	R	98.8	Very high	97.4	Very high	61 Å²	61	28.6 Å²	28.6	23%	0.23	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-43	172.2	-75.9	-172.8	-94.3	-83.2	2.5	111.6	P322 D323 M329 A330 I355 F437 V460	P322-R326 WeakPolarHBondContact O-CG 3.22Å; P322-R326 PolarHBondContact O-N 2.87Å; D323-R326 WeakPolarHBondContact O-CB 3.35Å; D323-R326 PolarHBondContact O-N 3.13Å; D323-R326 IonicContact OD1-CZ 2.87Å; D323-R326 IonicContact OD1-NE 2.84Å; D323-R326 PolarHBondContact OD1-NE 3.3Å; D323-R326 VanDerWaalsContact OD1-NE 3.15Å; D323-R326 IonicContact OD1-NH2 3.85Å; D323-R326 PolarHBondContact OD1-NH2 2.82Å; R326-M329 PolarHBondContact O-N 3.26Å; R326-A330 VanDerWaalsContact O-CB 3.28Å; R326-A330 WeakPolarHBondContact O-CB 3.28Å; R326-A330 PolarHBondContact O-N 3.42Å; R326-I355 HydrophobicContact CG-CD1 3.65Å; R326-I355 HydrophobicContact CG-CG1 3.84Å; R326-F437 HydrophobicContact CB-CE1 3.98Å; R326-F437 HydrophobicContact CB-CE2 3.87Å; R326-F437 HydrophobicContact CB-CZ 3.47Å; R326-F437 VanDerWaalsContact CB-CZ 3.47Å; R326-F437 HydrophobicContact CG-CD1 3.99Å; R326-F437 HydrophobicContact CG-CE1 3.45Å; R326-F437 VanDerWaalsContact CG-CE1 3.45Å; R326-F437 HydrophobicContact CG-CE2 4.15Å; R326-F437 HydrophobicContact CG-CZ 3.53Å; R326-V460 HydrophobicContact CB-CG2 3.94Å
327	A	98.8	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-44.2	177.4	0	0	0	0	0	112.2	W281 D323 Q324 A325 A330 L331 F406 T458 V460	W281-A327 HydrophobicContact CH2-CB 3.7Å; W281-A327 HydrophobicContact CZ3-CB 4.24Å; D323-A327 PolarHBondContact O-N 2.66Å; Q324-A327 PolarHBondContact O-N 3.44Å; A325-A327 VanDerWaalsContact C-N 3.33Å; A327-A330 PolarHBondContact O-N 3.36Å; A327-L331 WeakPolarHBondContact O-CB 3.4Å; A327-L331 WeakPolarHBondContact O-CG 3.32Å; A327-L331 PolarHBondContact O-N 3.15Å; A327-F406 HydrophobicContact CB-CD2 4.07Å; A327-F406 HydrophobicContact CB-CE2 3.78Å; A327-T458 WeakPolarHBondContact CB-O 3.34Å; A327-V460 HydrophobicContact CB-CG1 3.88Å
328	Q	98.9	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-52.8	174.4	-170.1	-178.4	20.1	0	0	111	V284 M312 L313 I315 Q324 A325 A330 L331 W332	V284-Q328 HydrophobicContact CG1-CB 4.09Å; V284-Q328 HydrophobicContact CG1-CG 4.02Å; M312-Q328 PolarHBondContact O-NE2 2.93Å; L313-Q328 HydrophobicContact CD2-CG 4Å; I315-Q328 HydrophobicContact CG1-CB 4.48Å; Q324-Q328 PolarHBondContact O-N 3.3Å; A325-Q328 PolarHBondContact O-N 3.25Å; Q328-A330 VanDerWaalsContact C-N 3.34Å; Q328-A330 PolarHBondContact O-N 3.09Å; Q328-L331 PolarHBondContact O-N 3.39Å; Q328-W332 HydrophobicContact CG-CD2 3.94Å; Q328-W332 HydrophobicContact CG-CE3 3.7Å; Q328-W332 HydrophobicContact CG-CH2 3.98Å; Q328-W332 HydrophobicContact CG-CZ2 4.18Å; Q328-W332 HydrophobicContact CG-CZ3 3.72Å; Q328-W332 PolarHBondContact O-N 3.44Å
329	M	98.9	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.1	-48.1	-179.2	-172.4	61.9	177.2	0	0	111.6	L313 I315 A325 R326 L331 W332 C333 L339 I355 L361 I362	L313-M329 HydrophobicContact CD1-SD 3.95Å; I315-M329 HydrophobicContact CD1-CB 3.73Å; I315-M329 HydrophobicContact CD1-CG 4.48Å; I315-M329 HydrophobicContact CD1-SD 4.34Å; A325-M329 PolarHBondContact O-N 3.27Å; R326-M329 PolarHBondContact O-N 3.26Å; M329-L331 PolarHBondContact O-N 2.86Å; M329-W332 PolarHBondContact O-N 3.47Å; M329-C333 WeakPolarHBondContact O-CB 3.37Å; M329-C333 PolarHBondContact O-N 3.09Å; M329-C333 PolarHBondContact O-SG 3.16Å; M329-L339 HydrophobicContact CE-CD1 4.07Å; M329-I355 HydrophobicContact CB-CG2 3.72Å; M329-I355 HydrophobicContact CG-CG2 4.02Å; M329-L361 HydrophobicContact CE-CB 4.36Å; M329-L361 HydrophobicContact CG-CD1 3.89Å; M329-I362 HydrophobicContact CE-CG1 3.97Å
330	A	98.9	Very high	98.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.2	-43.1	-177.4	0	0	0	0	0	112.8	R326 A327 Q328 C333 I334 V404 F437 V460 V462	R326-A330 VanDerWaalsContact O-CB 3.28Å; R326-A330 WeakPolarHBondContact O-CB 3.28Å; R326-A330 PolarHBondContact O-N 3.42Å; A327-A330 PolarHBondContact O-N 3.36Å; Q328-A330 VanDerWaalsContact C-N 3.34Å; Q328-A330 PolarHBondContact O-N 3.09Å; A330-C333 PolarHBondContact O-N 3.33Å; A330-I334 WeakPolarHBondContact O-CB 3.45Å; A330-I334 PolarHBondContact O-N 3.46Å; A330-V404 HydrophobicContact CB-CG1 4.14Å; A330-V404 HydrophobicContact CB-CG2 4.26Å; A330-F437 HydrophobicContact CB-CE2 4.32Å; A330-V460 HydrophobicContact CB-CB 4.38Å; A330-V460 HydrophobicContact CB-CG1 4.26Å; A330-V460 HydrophobicContact CB-CG2 3.88Å; A330-V462 HydrophobicContact CB-CG2 3.51Å
331	L	98.9	Very high	98.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-73.1	-35.9	-178.6	-69.2	168.1	0	0	0	111.9	I288 A327 Q328 M329 I334 W335 Y385 V404 F406	I288-L331 HydrophobicContact CD1-CD1 3.34Å; I288-L331 HydrophobicContact CG1-CD1 3.69Å; I288-L331 HydrophobicContact CG2-CD1 4.02Å; A327-L331 WeakPolarHBondContact O-CB 3.4Å; A327-L331 WeakPolarHBondContact O-CG 3.32Å; A327-L331 PolarHBondContact O-N 3.15Å; Q328-L331 PolarHBondContact O-N 3.39Å; M329-L331 PolarHBondContact O-N 2.86Å; L331-I334 HydrophobicContact CD2-CG2 4.39Å; L331-I334 WeakPolarHBondContact O-CG2 3.41Å; L331-W335 HydrophobicContact CB-CH2 3.93Å; L331-W335 HydrophobicContact CB-CZ2 4.33Å; L331-W335 HydrophobicContact CB-CZ3 4.1Å; L331-W335 HydrophobicContact CD2-CZ2 4.49Å; L331-W335 PolarHBondContact O-N 3.12Å; L331-Y385 HydrophobicContact CD2-CD1 4.38Å; L331-Y385 HydrophobicContact CD2-CD2 3.9Å; L331-Y385 HydrophobicContact CD2-CE1 4.12Å; L331-Y385 HydrophobicContact CD2-CE2 3.63Å; L331-Y385 HydrophobicContact CD2-CG 4.29Å; L331-V404 HydrophobicContact CD2-CG1 4.26Å; L331-F406 HydrophobicContact CD1-CD1 3.8Å; L331-F406 HydrophobicContact CD1-CD2 4.32Å; L331-F406 HydrophobicContact CD1-CE1 3.88Å; L331-F406 HydrophobicContact CD1-CE2 4.41Å; L331-F406 HydrophobicContact CD1-CG 4.04Å; L331-F406 HydrophobicContact CD1-CZ 4.2Å
332	W	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.6	-46.2	171.8	-87.1	-126.4	0	0	0	110.4	V284 I287 I288 P310 D311 L313 Q328 M329 I334 W335 S336 A337 L339	V284-W332 HydrophobicContact CG1-CH2 4.08Å; V284-W332 HydrophobicContact CG1-CZ3 4.1Å; I287-W332 HydrophobicContact CB-CH2 4.11Å; I287-W332 HydrophobicContact CD1-CH2 4.42Å; I287-W332 HydrophobicContact CD1-CZ2 4.4Å; I287-W332 HydrophobicContact CG2-CH2 3.67Å; I287-W332 HydrophobicContact CG2-CZ2 3.97Å; I288-W332 HydrophobicContact CG1-CZ3 4.14Å; P310-W332 HydrophobicContact CB-CD2 4.41Å; P310-W332 HydrophobicContact CB-CZ2 3.85Å; P310-W332 HydrophobicContact CG-CD2 4.04Å; P310-W332 HydrophobicContact CG-CG 3.99Å; P310-W332 HydrophobicContact CG-CZ2 4.23Å; P310-W332 VanDerWaalsContact CG-NE1 3.35Å; P310-W332 WeakPolarHBondContact O-CZ2 3.32Å; D311-W332 PolarHBondContact O-NE1 2.96Å; L313-W332 HydrophobicContact CD2-CB 4.09Å; L313-W332 HydrophobicContact CD2-CD2 4.22Å; L313-W332 HydrophobicContact CD2-CG 3.69Å; Q328-W332 HydrophobicContact CG-CD2 3.94Å; Q328-W332 HydrophobicContact CG-CE3 3.7Å; Q328-W332 HydrophobicContact CG-CH2 3.98Å; Q328-W332 HydrophobicContact CG-CZ2 4.18Å; Q328-W332 HydrophobicContact CG-CZ3 3.72Å; Q328-W332 PolarHBondContact O-N 3.44Å; M329-W332 PolarHBondContact O-N 3.47Å; W332-I334 PolarHBondContact O-N 3.26Å; W332-W335 HydrophobicContact CD2-CZ3 4.48Å; W332-W335 HydrophobicContact CE3-CE3 4.43Å; W332-W335 AromaticContact CE3-CZ3 3.83Å; W332-W335 HydrophobicContact CE3-CZ3 3.83Å; W332-W335 AromaticContact CZ3-CZ3 3.93Å; W332-W335 HydrophobicContact CZ3-CZ3 3.93Å; W332-W335 PolarHBondContact O-N 2.88Å; W332-W335 VanDerWaalsContact O-N 3.16Å; W332-S336 PolarHBondContact O-N 2.62Å; W332-A337 HydrophobicContact CB-CB 4.17Å; W332-A337 HydrophobicContact CG-CB 4.32Å; W332-A337 WeakPolarHBondContact O-CB 3.44Å; W332-A337 PolarHBondContact O-N 3.04Å; W332-A337 VanDerWaalsContact O-N 3.12Å; W332-L339 HydrophobicContact CB-CD2 3.82Å
333	C	98.9	Very high	98.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-179.8	-65.7	0	0	0	0	113.1	M329 A330 W335 S336 L361 M364 D365 K387	M329-C333 WeakPolarHBondContact O-CB 3.37Å; M329-C333 PolarHBondContact O-N 3.09Å; M329-C333 PolarHBondContact O-SG 3.16Å; A330-C333 PolarHBondContact O-N 3.33Å; C333-W335 PolarHBondContact O-N 3.36Å; C333-S336 PolarHBondContact O-N 2.88Å; C333-S336 VanDerWaalsContact O-N 3.13Å; C333-L361 PolarHBondContact SG-O 3.21Å; C333-M364 HydrophobicContact CB-CE 3.52Å; C333-D365 WeakPolarHBondContact CA-OD2 3.4Å; C333-D365 HydrophobicContact CB-CB 3.88Å; C333-D365 WeakPolarHBondContact O-CA 3.5Å; C333-K387 PolarHBondContact O-NZ 2.98Å
334	I	98.8	Very high	98.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-69.1	-21.7	178.8	-155.1	67.6	0	0	0	111	A330 L331 W332 M364 G373 Y385 K387 V404	A330-I334 WeakPolarHBondContact O-CB 3.45Å; A330-I334 PolarHBondContact O-N 3.46Å; L331-I334 HydrophobicContact CD2-CG2 4.39Å; L331-I334 WeakPolarHBondContact O-CG2 3.41Å; W332-I334 PolarHBondContact O-N 3.26Å; I334-M364 HydrophobicContact CB-CE 4.23Å; I334-M364 HydrophobicContact CD1-CE 4.13Å; I334-M364 HydrophobicContact CD1-CG 4.38Å; I334-M364 HydrophobicContact CD1-SD 3.54Å; I334-M364 VanDerWaalsContact CD1-SD 3.54Å; I334-G373 WeakPolarHBondContact O-CA 3.37Å; I334-G373 PolarHBondContact O-N 2.9Å; I334-Y385 HydrophobicContact CG2-CD1 4.47Å; I334-Y385 HydrophobicContact CG2-CG 4.49Å; I334-K387 HydrophobicContact CD1-CB 3.42Å; I334-K387 VanDerWaalsContact CD1-CB 3.42Å; I334-K387 HydrophobicContact CD1-CD 4.37Å; I334-K387 HydrophobicContact CG1-CB 3.98Å; I334-K387 WeakPolarHBondContact O-CD 3.47Å; I334-V404 HydrophobicContact CB-CG2 3.84Å; I334-V404 HydrophobicContact CD1-CG2 4Å; I334-V404 HydrophobicContact CG1-CG2 3.94Å; I334-V404 HydrophobicContact CG2-CG2 4.29Å
335	W	98.7	Very high	98.7	Very high	3 Å²	3	4.3 Å²	4.3	1%	0.011	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.3	172.8	-64.8	-35.1	0	0	0	114.5	I288 Y291 H302 L331 W332 C333 A337 M372 Y385	I288-W335 HydrophobicContact CB-CH2 4.15Å; I288-W335 HydrophobicContact CG1-CH2 3.92Å; I288-W335 HydrophobicContact CG2-CH2 4.13Å; I288-W335 HydrophobicContact CG2-CZ2 4.37Å; Y291-W335 HydrophobicContact CD1-CD2 4.07Å; Y291-W335 HydrophobicContact CD1-CE3 4.03Å; Y291-W335 HydrophobicContact CD1-CZ3 4.43Å; Y291-W335 HydrophobicContact CG-CD2 4.46Å; Y291-W335 HydrophobicContact CG-CE3 4.23Å; Y291-W335 HydrophobicContact CG-CH2 4.32Å; Y291-W335 HydrophobicContact CG-CZ2 4.5Å; Y291-W335 HydrophobicContact CG-CZ3 4.17Å; H302-W335 PolarHBondContact CE1-O 3.05Å; H302-W335 VanDerWaalsContact CE1-O 3.26Å; H302-W335 PolarHBondContact NE2-O 3.16Å; H302-W335 VanDerWaalsContact NE2-O 3.09Å; L331-W335 HydrophobicContact CB-CH2 3.93Å; L331-W335 HydrophobicContact CB-CZ2 4.33Å; L331-W335 HydrophobicContact CB-CZ3 4.1Å; L331-W335 HydrophobicContact CD2-CZ2 4.49Å; L331-W335 PolarHBondContact O-N 3.12Å; W332-W335 HydrophobicContact CD2-CZ3 4.48Å; W332-W335 HydrophobicContact CE3-CE3 4.43Å; W332-W335 AromaticContact CE3-CZ3 3.83Å; W332-W335 HydrophobicContact CE3-CZ3 3.83Å; W332-W335 AromaticContact CZ3-CZ3 3.93Å; W332-W335 HydrophobicContact CZ3-CZ3 3.93Å; W332-W335 PolarHBondContact O-N 2.88Å; W332-W335 VanDerWaalsContact O-N 3.16Å; C333-W335 PolarHBondContact O-N 3.36Å; W335-A337 VanDerWaalsContact C-N 3.31Å; W335-M372 HydrophobicContact CB-CE 4.04Å; W335-M372 HydrophobicContact CB-CG 4.15Å; W335-M372 HydrophobicContact CG-CE 3.9Å; W335-M372 HydrophobicContact CG-CG 4.45Å; W335-M372 WeakPolarHBondContact O-CG 3.2Å; W335-Y385 HydrophobicContact CZ2-CE1 4.44Å
336	S	98.7	Very high	98.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	49	-166.7	-27.7	0	0	0	0	111.3	P84 H302 W332 C333 D365 A371 K387	P84-S336 WeakPolarHBondContact CG-O 3.39Å; H302-S336 PolarHBondContact CE1-O 3.31Å; H302-S336 VanDerWaalsContact CE1-O 3.3Å; H302-S336 PolarHBondContact NE2-O 3.01Å; W332-S336 PolarHBondContact O-N 2.62Å; C333-S336 PolarHBondContact O-N 2.88Å; C333-S336 VanDerWaalsContact O-N 3.13Å; S336-D365 WeakPolarHBondContact CA-OD2 3.49Å; S336-A371 PolarHBondContact OG-O 3.27Å; S336-K387 WeakPolarHBondContact OG-CE 3.25Å; S336-K387 PolarHBondContact OG-NZ 3.03Å
337	A	98.8	Very high	98.5	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.008	5%	0.048	C	C	.	.			trans	-84	151.5	-178	0	0	0	0	0	110.8	P84 P310 W332 W335 L339 D365	P84-A337 WeakPolarHBondContact CB-O 3.48Å; P310-A337 VanDerWaalsContact CD-CB 3.49Å; P310-A337 HydrophobicContact CG-CB 3.49Å; P310-A337 VanDerWaalsContact CG-CB 3.49Å; W332-A337 HydrophobicContact CB-CB 4.17Å; W332-A337 HydrophobicContact CG-CB 4.32Å; W332-A337 WeakPolarHBondContact O-CB 3.44Å; W332-A337 PolarHBondContact O-N 3.04Å; W332-A337 VanDerWaalsContact O-N 3.12Å; W335-A337 VanDerWaalsContact C-N 3.31Å; A337-L339 PolarHBondContact O-N 2.98Å; A337-D365 PolarHBondContact N-OD2 3.01Å; A337-D365 VanDerWaalsContact N-OD2 3.09Å
338	P	98.9	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.			trans	-49.8	131.4	161.2	-23.4	33	0	0	0	110.9	P85 T270 W307 N308 D309 F340	P85-P338 HydrophobicContact CG-CB 4.09Å; P85-P338 HydrophobicContact CG-CG 4.37Å; P85-P338 CarbonylContact O-C 3.51Å; P85-P338 VanDerWaalsContact O-CA 3.22Å; P85-P338 WeakPolarHBondContact O-CA 3.43Å; T270-P338 VanDerWaalsContact OG1-CG 3.28Å; T270-P338 WeakPolarHBondContact OG1-CG 3.31Å; W307-P338 HydrophobicContact CB-CG 4.02Å; N308-P338 VanDerWaalsContact O-CD 3.22Å; N308-P338 WeakPolarHBondContact O-CD 3.36Å; D309-P338 HydrophobicContact CB-CG 4.13Å; P338-F340 HydrophobicContact CB-CD2 3.75Å; P338-F340 HydrophobicContact CB-CE2 3.68Å
339	L	98.9	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	77.6	-179.8	-55	-178.5	0	0	0	109.4	P85 M86 G87 Y130 L313 M329 W332 A337 D365	P85-L339 PolarHBondContact O-N 3.48Å; M86-L339 WeakPolarHBondContact CA-O 3.21Å; M86-L339 HydrophobicContact CB-CB 4.27Å; M86-L339 HydrophobicContact CE-CB 4.48Å; M86-L339 HydrophobicContact CE-CD1 3.95Å; M86-L339 HydrophobicContact CG-CB 3.98Å; M86-L339 HydrophobicContact CG-CD1 4.31Å; M86-L339 HydrophobicContact CG-CG 4.35Å; M86-L339 HydrophobicContact SD-CD1 4.34Å; G87-L339 PolarHBondContact N-O 3.28Å; Y130-L339 WeakPolarHBondContact CD1-O 3.22Å; Y130-L339 HydrophobicContact CE1-CB 3.95Å; Y130-L339 VanDerWaalsContact CE1-O 3.23Å; Y130-L339 WeakPolarHBondContact CE1-O 3.43Å; L313-L339 HydrophobicContact CD1-CB 4.04Å; L313-L339 HydrophobicContact CD1-CD2 4.24Å; M329-L339 HydrophobicContact CE-CD1 4.07Å; W332-L339 HydrophobicContact CB-CD2 3.82Å; A337-L339 PolarHBondContact O-N 2.98Å; L339-D365 HydrophobicContact CD1-CB 3.93Å
340	F	98.9	Very high	98.3	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.7	174.8	-70.9	-67.7	0	0	0	111.1	P85 G87 I89 H132 N134 M210 M312 L313 P338	P85-F340 HydrophobicContact CB-CE2 4.43Å; P85-F340 HydrophobicContact CB-CZ 3.9Å; P85-F340 HydrophobicContact CG-CE2 3.97Å; P85-F340 HydrophobicContact CG-CZ 3.9Å; G87-F340 CarbonylContact O-C 3.24Å; G87-F340 WeakPolarHBondContact O-CA 3.3Å; I89-F340 HydrophobicContact CD1-CB 3.5Å; I89-F340 VanDerWaalsContact CD1-CB 3.5Å; I89-F340 HydrophobicContact CD1-CD1 3.85Å; I89-F340 HydrophobicContact CD1-CD2 3.82Å; I89-F340 HydrophobicContact CD1-CG 3.44Å; I89-F340 VanDerWaalsContact CD1-CG 3.44Å; I89-F340 HydrophobicContact CG1-CB 3.85Å; I89-F340 HydrophobicContact CG1-CD1 3.85Å; I89-F340 HydrophobicContact CG1-CG 3.9Å; H132-F340 HydrophobicContact CB-CE1 3.82Å; N134-F340 WeakPolarHBondContact ND2-CD1 3.2Å; N134-F340 WeakPolarHBondContact ND2-CE1 3.26Å; M210-F340 HydrophobicContact CE-CE1 4.47Å; M210-F340 HydrophobicContact CE-CE2 3.96Å; M210-F340 HydrophobicContact CE-CZ 3.61Å; M210-F340 HydrophobicContact SD-CE1 4.27Å; M210-F340 HydrophobicContact SD-CZ 3.75Å; M312-F340 CarbonylContact C-O 3.34Å; M312-F340 WeakPolarHBondContact CA-O 3.38Å; M312-F340 WeakPolarHBondContact CB-O 3.12Å; M312-F340 HydrophobicContact CG-CB 4.28Å; L313-F340 PolarHBondContact N-O 3.31Å; P338-F340 HydrophobicContact CB-CD2 3.75Å; P338-F340 HydrophobicContact CB-CE2 3.68Å
341	M	98.8	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	142.6	174.9	-60	-179.5	-67.6	0	0	111.3	G87 W88 I89 L120 Y125 Y130 L345 L356	G87-M341 PolarHBondContact O-N 3.07Å; W88-M341 CarbonylContact C-O 3.51Å; W88-M341 VanDerWaalsContact CA-O 3.29Å; W88-M341 WeakPolarHBondContact CA-O 3.42Å; I89-M341 PolarHBondContact N-O 2.95Å; I89-M341 VanDerWaalsContact O-O 3.11Å; L120-M341 HydrophobicContact CD2-CE 3.59Å; Y125-M341 HydrophobicContact CD1-CE 3.71Å; Y125-M341 HydrophobicContact CD1-SD 3.76Å; Y125-M341 HydrophobicContact CE1-CE 4.18Å; Y125-M341 HydrophobicContact CE1-SD 3.72Å; Y125-M341 HydrophobicContact CG-CE 4.06Å; Y130-M341 HydrophobicContact CD1-CE 3.63Å; Y130-M341 HydrophobicContact CD1-CG 4.1Å; Y130-M341 HydrophobicContact CD1-SD 4.11Å; Y130-M341 HydrophobicContact CD2-CE 4.28Å; Y130-M341 HydrophobicContact CE1-CE 4.12Å; Y130-M341 HydrophobicContact CE1-CG 3.74Å; Y130-M341 HydrophobicContact CE1-SD 3.97Å; Y130-M341 HydrophobicContact CG-CE 3.73Å; Y130-M341 HydrophobicContact CG-SD 4.45Å; M341-L345 HydrophobicContact CE-CD2 4.47Å; M341-L356 HydrophobicContact CG-CD1 4.48Å; M341-L356 HydrophobicContact CG-CD2 3.84Å; M341-L356 HydrophobicContact SD-CB 4.26Å; M341-L356 HydrophobicContact SD-CD1 3.76Å; M341-L356 HydrophobicContact SD-CD2 3.88Å; M341-L356 HydrophobicContact SD-CG 4.18Å
342	S	98.4	Very high	98.2	Very high	3 Å²	3	23 Å²	23	2%	0.021	13%	0.125	C	C	.	.			trans	-132.9	89.6	166.2	170.3	0	0	0	0	110.3	I89 T92 H93 M312 L313	I89-S342 VanDerWaalsContact O-CA 3.29Å; I89-S342 WeakPolarHBondContact O-CA 3.46Å; I89-S342 WeakPolarHBondContact O-CB 3.36Å; I89-S342 PolarHBondContact O-OG 3.43Å; T92-S342 WeakPolarHBondContact CA-OG 3.09Å; T92-S342 WeakPolarHBondContact CB-OG 3.2Å; T92-S342 PolarHBondContact N-OG 3.45Å; T92-S342 VanDerWaalsContact N-OG 3.15Å; H93-S342 PolarHBondContact N-OG 3.43Å; M312-S342 WeakPolarHBondContact SD-CB 3.23Å; L313-S342 PolarHBondContact O-N 3.45Å
343	N	97.8	Very high	98.2	Very high	2 Å²	2	27 Å²	27	1%	0.011	14%	0.14	C	C	.	.	S	Bend	trans	-156.5	169.6	-178.2	53.5	38	0	0	0	110.4	W88 I315 L345	W88-N343 WeakPolarHBondContact CZ2-O 3.29Å; W88-N343 PolarHBondContact NE1-O 2.81Å; I315-N343 PolarHBondContact O-ND2 3.03Å; N343-L345 WeakPolarHBondContact OD1-CD2 3.22Å
344	D	97.7	Very high	98.2	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	16%	0.164	C	C	.	.			trans	-91.2	104	171.7	-175	-7.4	0	0	0	110.8	F94 R346 S347 I348	F94-D344 HydrophobicContact CE2-CB 4.5Å; F94-D344 HydrophobicContact CZ-CB 3.9Å; D344-R346 PolarHBondContact O-N 3.03Å; D344-R346 WeakPolarHBondContact OD1-CB 3.5Å; D344-R346 WeakPolarHBondContact OD1-CG 3.37Å; D344-R346 IonicContact OD1-CZ 3.73Å; D344-R346 PolarHBondContact OD1-N 3.35Å; D344-R346 IonicContact OD1-NE 3.78Å; D344-R346 PolarHBondContact OD1-NE 2.84Å; D344-R346 IonicContact OD1-NH2 3.26Å; D344-R346 IonicContact OD2-CZ 3.92Å; D344-R346 IonicContact OD2-NE 3.01Å; D344-R346 PolarHBondContact OD2-NE 3.01Å; D344-R346 IonicContact OD2-NH2 3.96Å; D344-R346 PolarHBondContact OD2-NH2 3.02Å; D344-S347 PolarHBondContact O-N 3.41Å; D344-I348 PolarHBondContact O-N 2.75Å; D344-I348 VanDerWaalsContact O-N 3.13Å
345	L	98.3	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15	-179.3	-61	178.2	0	0	0	113.3	M116 R119 L120 Y125 M341 N343 S347	M116-L345 HydrophobicContact SD-CB 4.06Å; M116-L345 HydrophobicContact SD-CD1 4.48Å; M116-L345 HydrophobicContact SD-CG 4.22Å; R119-L345 HydrophobicContact CB-CB 3.59Å; R119-L345 HydrophobicContact CB-CD1 4.13Å; R119-L345 HydrophobicContact CG-CB 4.11Å; R119-L345 PolarHBondContact NH2-O 3.48Å; L120-L345 HydrophobicContact CD2-CD1 3.78Å; L120-L345 HydrophobicContact CG-CD1 3.85Å; Y125-L345 HydrophobicContact CD2-CD1 4.47Å; Y125-L345 HydrophobicContact CD2-CD2 4.36Å; Y125-L345 HydrophobicContact CE1-CD2 4.47Å; Y125-L345 HydrophobicContact CE2-CD2 3.72Å; M341-L345 HydrophobicContact CE-CD2 4.47Å; N343-L345 WeakPolarHBondContact OD1-CD2 3.22Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.29Å
346	R	97.4	Very high	98.2	Very high	64 Å²	64	31.5 Å²	31.5	24%	0.242	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.9	176.7	-59.3	164.7	-57.7	-170.2	1.5	111.8	N105 E115 M116 R119 D344	N105-R346 PolarHBondContact O-NH1 3.47Å; N105-R346 PolarHBondContact O-NH2 3.13Å; E115-R346 WeakPolarHBondContact OE2-CD 3.24Å; E115-R346 IonicContact OE2-CZ 2.72Å; E115-R346 IonicContact OE2-NE 2.87Å; E115-R346 IonicContact OE2-NH1 3.34Å; E115-R346 PolarHBondContact OE2-NH1 2.82Å; M116-R346 HydrophobicContact CE-CG 3.64Å; R119-R346 HydrophobicContact CG-CG 4.29Å; D344-R346 PolarHBondContact O-N 3.03Å; D344-R346 WeakPolarHBondContact OD1-CB 3.5Å; D344-R346 WeakPolarHBondContact OD1-CG 3.37Å; D344-R346 IonicContact OD1-CZ 3.73Å; D344-R346 PolarHBondContact OD1-N 3.35Å; D344-R346 IonicContact OD1-NE 3.78Å; D344-R346 PolarHBondContact OD1-NE 2.84Å; D344-R346 IonicContact OD1-NH2 3.26Å; D344-R346 IonicContact OD2-CZ 3.92Å; D344-R346 IonicContact OD2-NE 3.01Å; D344-R346 PolarHBondContact OD2-NE 3.01Å; D344-R346 IonicContact OD2-NH2 3.96Å; D344-R346 PolarHBondContact OD2-NH2 3.02Å
347	S	95.9	Very high	98.2	Very high	85 Å²	85	32.8 Å²	32.8	59%	0.594	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.7	4.2	-169.4	61.6	0	0	0	0	114.5	D344 L345 K349	D344-S347 PolarHBondContact O-N 3.41Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.29Å; S347-K349 PolarHBondContact O-N 3.41Å
348	I	97.2	Very high	98.2	Very high	23 Å²	23	33.8 Å²	33.8	12%	0.118	18%	0.176	C	C	.	.			trans	-59.3	129.4	179.6	-167.9	164.3	0	0	0	112.1	D344 R353 L356	D344-I348 PolarHBondContact O-N 2.75Å; D344-I348 VanDerWaalsContact O-N 3.13Å; I348-R353 HydrophobicContact CG2-CB 4.44Å; I348-L356 HydrophobicContact CD1-CD1 3.51Å
349	K	97.9	Very high	98.2	Very high	113 Å²	113	41.1 Å²	41.1	49%	0.491	20%	0.204	S	C	.	.			trans	-70.9	147.3	-179.9	-58.4	177.2	-176.7	167.7	0	110.8	S347 V351 Y352 R353	S347-K349 PolarHBondContact O-N 3.41Å; K349-V351 VanDerWaalsContact C-N 3.32Å; K349-V351 PolarHBondContact O-N 3.4Å; K349-Y352 HydrophobicContact CB-CD2 3.96Å; K349-Y352 HydrophobicContact CB-CE2 4.36Å; K349-Y352 HydrophobicContact CD-CE2 4.31Å; K349-Y352 PolarHBondContact O-N 2.73Å; K349-R353 PolarHBondContact O-N 2.94Å
350	P	97.8	Very high	98.1	Very high	96 Å²	96	44.4 Å²	44.4	62%	0.623	22%	0.22	S	C	*	.	H	α-helix	trans	-49.8	-45.5	-177	-30.8	35.9	0	0	0	114.5	Y352 R353 D354	P350-Y352 VanDerWaalsContact C-N 3.26Å; P350-Y352 PolarHBondContact O-N 2.88Å; P350-Y352 VanDerWaalsContact O-N 3.16Å; P350-R353 CarbonylContact O-C 3.56Å; P350-R353 WeakPolarHBondContact O-CA 3.27Å; P350-R353 WeakPolarHBondContact O-CB 3.3Å; P350-R353 PolarHBondContact O-N 3.27Å; P350-D354 PolarHBondContact O-N 2.65Å
351	V	97.6	Very high	98.1	Very high	55 Å²	55	44.3 Å²	44.3	33%	0.333	22%	0.219	S	C	.	.	H	α-helix	trans	-56.5	-35.4	-179.8	66.3	0	0	0	0	113.9	P322 K349 I355	P322-V351 HydrophobicContact CB-CG2 3.98Å; P322-V351 HydrophobicContact CG-CG1 4.29Å; P322-V351 HydrophobicContact CG-CG2 4.21Å; K349-V351 VanDerWaalsContact C-N 3.32Å; K349-V351 PolarHBondContact O-N 3.4Å; V351-I355 WeakPolarHBondContact O-CD1 3.47Å; V351-I355 VanDerWaalsContact O-CG1 3.31Å; V351-I355 WeakPolarHBondContact O-CG1 3.44Å; V351-I355 PolarHBondContact O-N 3.27Å
352	Y	98.4	Very high	98.1	Very high	18 Å²	18	44.9 Å²	44.9	7%	0.071	22%	0.222	C	C	.	.	H	α-helix	trans	-82.3	-34.3	178	-60.5	-69.1	0	0	0	111.7	I315 L320 P322 A325 K349 P350 D354 I355 L356	I315-Y352 HydrophobicContact CG2-CD1 4Å; I315-Y352 HydrophobicContact CG2-CG 4.37Å; L320-Y352 PolarHBondContact O-OH 3.49Å; P322-Y352 HydrophobicContact CG-CE1 4.43Å; A325-Y352 HydrophobicContact CB-CD1 3.76Å; A325-Y352 HydrophobicContact CB-CE1 3.85Å; K349-Y352 HydrophobicContact CB-CD2 3.96Å; K349-Y352 HydrophobicContact CB-CE2 4.36Å; K349-Y352 HydrophobicContact CD-CE2 4.31Å; K349-Y352 PolarHBondContact O-N 2.73Å; P350-Y352 VanDerWaalsContact C-N 3.26Å; P350-Y352 PolarHBondContact O-N 2.88Å; P350-Y352 VanDerWaalsContact O-N 3.16Å; Y352-D354 VanDerWaalsContact C-N 3.31Å; Y352-I355 HydrophobicContact CD1-CD1 4.44Å; Y352-I355 PolarHBondContact O-N 3.09Å; Y352-L356 WeakPolarHBondContact O-CG 3.32Å; Y352-L356 PolarHBondContact O-N 3.06Å; Y352-L356 VanDerWaalsContact O-N 3.08Å
353	R	98.3	Very high	98.1	Very high	82 Å²	82	47.4 Å²	47.4	31%	0.309	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-43.3	171.1	173.2	174.9	176.2	-80.2	0.4	111	D123 Y125 I348 K349 P350 I355 L356 L357	D123-R353 PolarHBondContact O-NE 3.36Å; D123-R353 PolarHBondContact O-NH2 3.4Å; Y125-R353 WeakPolarHBondContact OH-CG 3.34Å; I348-R353 HydrophobicContact CG2-CB 4.44Å; K349-R353 PolarHBondContact O-N 2.94Å; P350-R353 CarbonylContact O-C 3.56Å; P350-R353 WeakPolarHBondContact O-CA 3.27Å; P350-R353 WeakPolarHBondContact O-CB 3.3Å; P350-R353 PolarHBondContact O-N 3.27Å; R353-I355 VanDerWaalsContact C-N 3.33Å; R353-I355 PolarHBondContact O-N 3.01Å; R353-L356 PolarHBondContact O-N 2.81Å; R353-L357 HydrophobicContact CG-CD1 3.62Å; R353-L357 HydrophobicContact CG-CG 4.24Å; R353-L357 WeakPolarHBondContact O-CB 3.44Å; R353-L357 WeakPolarHBondContact O-CG 3.35Å; R353-L357 PolarHBondContact O-N 2.6Å
354	D	98.4	Very high	98.2	Very high	94 Å²	94	47.3 Å²	47.3	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-66	-35.7	-179.9	-61.6	-20.7	0	0	0	112	P350 Y352 L357 N358	P350-D354 PolarHBondContact O-N 2.65Å; Y352-D354 VanDerWaalsContact C-N 3.31Å; D354-L357 PolarHBondContact O-N 3.08Å; D354-N358 PolarHBondContact O-N 3.31Å
355	I	98.7	Very high	98.2	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-47.5	172.4	-66	164.9	0	0	0	110.5	I315 A325 R326 M329 V351 Y352 R353 L357 N358 F437	I315-I355 HydrophobicContact CD1-CG2 4.06Å; I315-I355 HydrophobicContact CG2-CG2 4.39Å; A325-I355 HydrophobicContact CB-CD1 3.84Å; R326-I355 HydrophobicContact CG-CD1 3.65Å; R326-I355 HydrophobicContact CG-CG1 3.84Å; M329-I355 HydrophobicContact CB-CG2 3.72Å; M329-I355 HydrophobicContact CG-CG2 4.02Å; V351-I355 WeakPolarHBondContact O-CD1 3.47Å; V351-I355 VanDerWaalsContact O-CG1 3.31Å; V351-I355 WeakPolarHBondContact O-CG1 3.44Å; V351-I355 PolarHBondContact O-N 3.27Å; Y352-I355 HydrophobicContact CD1-CD1 4.44Å; Y352-I355 PolarHBondContact O-N 3.09Å; R353-I355 VanDerWaalsContact C-N 3.33Å; R353-I355 PolarHBondContact O-N 3.01Å; I355-L357 VanDerWaalsContact C-N 3.33Å; I355-L357 PolarHBondContact O-N 3.09Å; I355-N358 WeakPolarHBondContact O-CB 3.49Å; I355-N358 PolarHBondContact O-N 3.48Å; I355-F437 HydrophobicContact CG1-CE1 4.48Å; I355-F437 HydrophobicContact CG2-CE1 4.39Å
356	L	98.8	Very high	98.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-29.8	-179	-70	165.7	0	0	0	112.8	Y125 Y130 L313 I315 M341 I348 Y352 R353	Y125-L356 HydrophobicContact CE1-CB 3.81Å; Y125-L356 HydrophobicContact CE1-CD1 4.21Å; Y130-L356 VanDerWaalsContact CE2-O 3.26Å; Y130-L356 WeakPolarHBondContact CE2-O 3.39Å; Y130-L356 PolarHBondContact OH-O 2.61Å; L313-L356 HydrophobicContact CD1-CD2 3.98Å; I315-L356 HydrophobicContact CB-CD1 4.36Å; I315-L356 HydrophobicContact CB-CD2 3.99Å; I315-L356 HydrophobicContact CB-CG 4.19Å; I315-L356 HydrophobicContact CD1-CD2 3.9Å; I315-L356 HydrophobicContact CG2-CD1 3.98Å; I315-L356 HydrophobicContact CG2-CD2 4.09Å; I315-L356 HydrophobicContact CG2-CG 3.75Å; M341-L356 HydrophobicContact CG-CD1 4.48Å; M341-L356 HydrophobicContact CG-CD2 3.84Å; M341-L356 HydrophobicContact SD-CB 4.26Å; M341-L356 HydrophobicContact SD-CD1 3.76Å; M341-L356 HydrophobicContact SD-CD2 3.88Å; M341-L356 HydrophobicContact SD-CG 4.18Å; I348-L356 HydrophobicContact CD1-CD1 3.51Å; Y352-L356 WeakPolarHBondContact O-CG 3.32Å; Y352-L356 PolarHBondContact O-N 3.06Å; Y352-L356 VanDerWaalsContact O-N 3.08Å; R353-L356 PolarHBondContact O-N 2.81Å
357	L	98.7	Very high	98.3	Very high	26 Å²	26	46 Å²	46	14%	0.136	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.3	178.7	-67.5	177.1	0	0	0	113.8	D123 Y125 V128 R353 D354 I355 R359	D123-L357 WeakPolarHBondContact O-CD1 3.43Å; Y125-L357 HydrophobicContact CD1-CD2 3.57Å; Y125-L357 HydrophobicContact CD1-CG 4.21Å; Y125-L357 HydrophobicContact CE1-CD2 3.96Å; Y125-L357 HydrophobicContact CE1-CG 4.08Å; Y125-L357 HydrophobicContact CG-CD2 4.01Å; V128-L357 HydrophobicContact CG1-CD2 4.14Å; V128-L357 HydrophobicContact CG2-CD2 3.61Å; R353-L357 HydrophobicContact CG-CD1 3.62Å; R353-L357 HydrophobicContact CG-CG 4.24Å; R353-L357 WeakPolarHBondContact O-CB 3.44Å; R353-L357 WeakPolarHBondContact O-CG 3.35Å; R353-L357 PolarHBondContact O-N 2.6Å; D354-L357 PolarHBondContact O-N 3.08Å; I355-L357 VanDerWaalsContact C-N 3.33Å; I355-L357 PolarHBondContact O-N 3.09Å; L357-R359 PolarHBondContact O-N 3.3Å
358	N	98.7	Very high	98.4	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	23%	0.228	C	C	.	.			trans	-64.3	103.8	-177.2	-175	-50.9	0	0	0	111	D354 I355 H360 L361 I362 L436	D354-N358 PolarHBondContact O-N 3.31Å; I355-N358 WeakPolarHBondContact O-CB 3.49Å; I355-N358 PolarHBondContact O-N 3.48Å; N358-H360 VanDerWaalsContact C-N 3.26Å; N358-H360 PolarHBondContact O-N 3.1Å; N358-H360 WeakPolarHBondContact OD1-CB 3.48Å; N358-H360 PolarHBondContact OD1-N 2.97Å; N358-L361 HydrophobicContact CB-CB 4.3Å; N358-L361 HydrophobicContact CB-CD1 4.03Å; N358-L361 HydrophobicContact CB-CG 4.42Å; N358-L361 PolarHBondContact O-N 3.12Å; N358-L361 PolarHBondContact OD1-N 3.34Å; N358-I362 WeakPolarHBondContact O-CG1 3.08Å; N358-I362 PolarHBondContact O-N 3.04Å; N358-L436 PolarHBondContact ND2-O 2.87Å; N358-L436 PolarHBondContact OD1-O 2.87Å
359	R	98.5	Very high	98.4	Very high	154 Å²	154	46.9 Å²	46.9	58%	0.581	24%	0.239	S	C	*	.	H	α-helix	trans	-64.2	-27.6	-175.9	-65.8	-177.1	179.8	-85.2	-2.2	113.3	D127 V128 L357 A363	D127-R359 PolarHBondContact O-NH1 2.78Å; V128-R359 HydrophobicContact CG1-CG 4.11Å; L357-R359 PolarHBondContact O-N 3.3Å; R359-A363 WeakPolarHBondContact O-CB 3.24Å; R359-A363 PolarHBondContact O-N 3.21Å
360	H	98.5	Very high	98.4	Very high	70 Å²	70	41.5 Å²	41.5	32%	0.324	22%	0.217	S	C	.	.	H	α-helix	trans	-73.1	-41.9	178.9	-60.1	-72.9	0	0	0	112	N358 A363 M364 L436 D439	N358-H360 VanDerWaalsContact C-N 3.26Å; N358-H360 PolarHBondContact O-N 3.1Å; N358-H360 WeakPolarHBondContact OD1-CB 3.48Å; N358-H360 PolarHBondContact OD1-N 2.97Å; H360-A363 PolarHBondContact O-N 2.77Å; H360-M364 PolarHBondContact O-N 2.96Å; H360-L436 HydrophobicContact CB-CB 3.88Å; H360-L436 HydrophobicContact CB-CD1 4.2Å; H360-L436 HydrophobicContact CB-CD2 3.89Å; H360-L436 HydrophobicContact CB-CG 4.19Å; H360-D439 IonicContact CD2-OD1 2.77Å; H360-D439 IonicContact CE1-OD1 2.78Å; H360-D439 IonicContact NE2-OD1 3.08Å; H360-D439 PolarHBondContact NE2-OD1 2.91Å; H360-D439 IonicContact NE2-OD2 3.19Å
361	L	98.7	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-43	174.4	-72.8	170.2	0	0	0	111.6	M329 C333 N358 A363 M364 D365 L436 F437 V462	M329-L361 HydrophobicContact CE-CB 4.36Å; M329-L361 HydrophobicContact CG-CD1 3.89Å; C333-L361 PolarHBondContact SG-O 3.21Å; N358-L361 HydrophobicContact CB-CB 4.3Å; N358-L361 HydrophobicContact CB-CD1 4.03Å; N358-L361 HydrophobicContact CB-CG 4.42Å; N358-L361 PolarHBondContact O-N 3.12Å; N358-L361 PolarHBondContact OD1-N 3.34Å; L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.4Å; L361-M364 HydrophobicContact CD2-CE 3.68Å; L361-M364 CarbonylContact O-C 3.59Å; L361-M364 WeakPolarHBondContact O-CA 3.44Å; L361-M364 VanDerWaalsContact O-CB 3.32Å; L361-M364 WeakPolarHBondContact O-CB 3.49Å; L361-M364 PolarHBondContact O-N 2.78Å; L361-D365 PolarHBondContact O-N 3.1Å; L361-L436 HydrophobicContact CD2-CB 4.44Å; L361-L436 HydrophobicContact CD2-CD1 4.35Å; L361-F437 HydrophobicContact CD1-CD1 4.06Å; L361-F437 HydrophobicContact CD1-CE1 3.33Å; L361-F437 HydrophobicContact CD1-CE2 3.87Å; L361-F437 HydrophobicContact CD1-CZ 3.23Å; L361-F437 HydrophobicContact CG-CZ 4.49Å; L361-V462 HydrophobicContact CD2-CB 4.23Å; L361-V462 HydrophobicContact CD2-CG1 3.76Å; L361-V462 HydrophobicContact CD2-CG2 4.25Å
362	I	98.9	Very high	98.4	Very high	12 Å²	12	36 Å²	36	6%	0.062	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-43.3	174	-67.4	167.5	0	0	0	110.4	M86 V128 Y130 M329 N358 M364 D365 Q366	M86-I362 HydrophobicContact CE-CB 4.45Å; M86-I362 HydrophobicContact CE-CD1 3.99Å; M86-I362 HydrophobicContact CE-CG1 3.9Å; M86-I362 HydrophobicContact CE-CG2 3.74Å; M86-I362 HydrophobicContact SD-CG2 3.87Å; V128-I362 HydrophobicContact CB-CD1 3.72Å; V128-I362 HydrophobicContact CG2-CD1 3.62Å; Y130-I362 HydrophobicContact CE2-CD1 4.08Å; M329-I362 HydrophobicContact CE-CG1 3.97Å; N358-I362 WeakPolarHBondContact O-CG1 3.08Å; N358-I362 PolarHBondContact O-N 3.04Å; I362-M364 VanDerWaalsContact C-N 3.25Å; I362-M364 PolarHBondContact O-N 3.18Å; I362-D365 WeakPolarHBondContact O-CB 3.3Å; I362-D365 PolarHBondContact O-N 3.13Å; I362-Q366 HydrophobicContact CG2-CG 3.95Å; I362-Q366 VanDerWaalsContact O-CB 3.26Å; I362-Q366 WeakPolarHBondContact O-CB 3.34Å; I362-Q366 VanDerWaalsContact O-CG 3.22Å; I362-Q366 WeakPolarHBondContact O-CG 3.22Å; I362-Q366 PolarHBondContact O-N 3.04Å
363	A	98.6	Very high	98.4	Very high	55 Å²	55	35.2 Å²	35.2	46%	0.455	18%	0.18	S	C	.	.	H	α-helix	trans	-64.8	-30.2	175.2	0	0	0	0	0	112.9	R359 H360 L361 D367	R359-A363 WeakPolarHBondContact O-CB 3.24Å; R359-A363 PolarHBondContact O-N 3.21Å; H360-A363 PolarHBondContact O-N 2.77Å; L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.4Å; A363-D367 PolarHBondContact O-N 3.25Å
364	M	98.8	Very high	98.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-45.2	171.2	179.5	173.8	75.3	0	0	111.4	C333 I334 H360 L361 I362 K387 M389 V404 L436 V462	C333-M364 HydrophobicContact CB-CE 3.52Å; I334-M364 HydrophobicContact CB-CE 4.23Å; I334-M364 HydrophobicContact CD1-CE 4.13Å; I334-M364 HydrophobicContact CD1-CG 4.38Å; I334-M364 HydrophobicContact CD1-SD 3.54Å; I334-M364 VanDerWaalsContact CD1-SD 3.54Å; H360-M364 PolarHBondContact O-N 2.96Å; L361-M364 HydrophobicContact CD2-CE 3.68Å; L361-M364 CarbonylContact O-C 3.59Å; L361-M364 WeakPolarHBondContact O-CA 3.44Å; L361-M364 VanDerWaalsContact O-CB 3.32Å; L361-M364 WeakPolarHBondContact O-CB 3.49Å; L361-M364 PolarHBondContact O-N 2.78Å; I362-M364 VanDerWaalsContact C-N 3.25Å; I362-M364 PolarHBondContact O-N 3.18Å; M364-K387 VanDerWaalsContact O-CE 3.3Å; M364-K387 WeakPolarHBondContact O-CE 3.28Å; M364-K387 PolarHBondContact O-NZ 3.44Å; M364-M389 HydrophobicContact CB-CE 4.03Å; M364-M389 HydrophobicContact CB-SD 4.31Å; M364-M389 HydrophobicContact CG-CE 4.15Å; M364-M389 HydrophobicContact CG-SD 3.79Å; M364-V404 HydrophobicContact CE-CG2 4.31Å; M364-L436 HydrophobicContact CB-CD1 4.46Å; M364-L436 HydrophobicContact SD-CD1 4.3Å; M364-V462 HydrophobicContact CE-CG1 3.92Å; M364-V462 HydrophobicContact SD-CG1 4.12Å
365	D	98.8	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-51.9	175.6	-175.3	-97.5	0	0	0	112	C333 S336 A337 L339 L361 I362 D367 K387	C333-D365 WeakPolarHBondContact CA-OD2 3.4Å; C333-D365 HydrophobicContact CB-CB 3.88Å; C333-D365 WeakPolarHBondContact O-CA 3.5Å; S336-D365 WeakPolarHBondContact CA-OD2 3.49Å; A337-D365 PolarHBondContact N-OD2 3.01Å; A337-D365 VanDerWaalsContact N-OD2 3.09Å; L339-D365 HydrophobicContact CD1-CB 3.93Å; L361-D365 PolarHBondContact O-N 3.1Å; I362-D365 WeakPolarHBondContact O-CB 3.3Å; I362-D365 PolarHBondContact O-N 3.13Å; D365-D367 PolarHBondContact O-N 2.98Å; D365-D367 VanDerWaalsContact O-N 3.13Å; D365-K387 PolarHBondContact O-NZ 3.25Å
366	Q	98.6	Very high	98.2	Very high	49 Å²	49	38 Å²	38	23%	0.229	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	17.2	-174.4	-59	-69.5	-66.3	0	0	113.8	R83 P84 M86 I362	R83-Q366 VanDerWaalsContact CD-O 3.22Å; R83-Q366 WeakPolarHBondContact CD-O 3.34Å; R83-Q366 PolarHBondContact NE-O 2.83Å; P84-Q366 PolarHBondContact O-NE2 2.85Å; M86-Q366 HydrophobicContact SD-CG 3.81Å; I362-Q366 HydrophobicContact CG2-CG 3.95Å; I362-Q366 VanDerWaalsContact O-CB 3.26Å; I362-Q366 WeakPolarHBondContact O-CB 3.34Å; I362-Q366 VanDerWaalsContact O-CG 3.22Å; I362-Q366 WeakPolarHBondContact O-CG 3.22Å; I362-Q366 PolarHBondContact O-N 3.04Å
367	D	98.6	Very high	98.1	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	21%	0.207	C	C	.	.			trans	-59.8	134.5	179.3	-177.1	87.3	0	0	0	111.3	A363 D365 L369 G370 M389 L390	A363-D367 PolarHBondContact O-N 3.25Å; D365-D367 PolarHBondContact O-N 2.98Å; D365-D367 VanDerWaalsContact O-N 3.13Å; D367-L369 PolarHBondContact O-N 2.76Å; D367-L369 VanDerWaalsContact O-N 3.13Å; D367-L369 VanDerWaalsContact OD2-CB 3.24Å; D367-L369 WeakPolarHBondContact OD2-CB 3.37Å; D367-L369 WeakPolarHBondContact OD2-CG 3.36Å; D367-L369 PolarHBondContact OD2-N 3.06Å; D367-G370 PolarHBondContact O-N 3.48Å; D367-M389 HydrophobicContact CB-CE 4.27Å; D367-M389 HydrophobicContact CB-CG 4.32Å; D367-M389 WeakPolarHBondContact OD1-CB 3.1Å; D367-L390 PolarHBondContact OD1-N 2.85Å
368	P	97.6	Very high	98.1	Very high	57 Å²	57	42 Å²	42	37%	0.37	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.5	-176.5	-26	35.8	0	0	0	117.1	R83 G370 L390	R83-P368 VanDerWaalsContact NH2-CB 3.28Å; R83-P368 VanDerWaalsContact NH2-CG 3.34Å; P368-G370 PolarHBondContact O-N 3.13Å; P368-L390 HydrophobicContact CB-CD1 3.8Å; P368-L390 HydrophobicContact CG-CD1 3.79Å
369	L	97	Very high	98	Very high	68 Å²	68	43.1 Å²	43.1	36%	0.356	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.9	172.9	-60.5	-178.2	0	0	0	111.7	D367 A371 P388 L390 L392	D367-L369 PolarHBondContact O-N 2.76Å; D367-L369 VanDerWaalsContact O-N 3.13Å; D367-L369 VanDerWaalsContact OD2-CB 3.24Å; D367-L369 WeakPolarHBondContact OD2-CB 3.37Å; D367-L369 WeakPolarHBondContact OD2-CG 3.36Å; D367-L369 PolarHBondContact OD2-N 3.06Å; L369-A371 HydrophobicContact CB-CB 4.32Å; L369-A371 PolarHBondContact O-N 3.4Å; L369-A371 VanDerWaalsContact O-N 3.09Å; L369-P388 HydrophobicContact CD1-CB 4.46Å; L369-L390 HydrophobicContact CD1-CD2 4.43Å; L369-L390 HydrophobicContact CD2-CD2 3.95Å; L369-L390 HydrophobicContact CD2-CG 4.28Å; L369-L390 HydrophobicContact CG-CD2 4.16Å; L369-L390 HydrophobicContact CG-CG 4.08Å; L369-L392 HydrophobicContact CD1-CD2 4.23Å
370	G	97.3	Very high	97.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.01	23%	0.229	C	C	.	.			trans	57.1	23.7	-177.3	0	0	0	0	0	113.1	H302 D367 P368	H302-G370 PolarHBondContact CD2-O 3.31Å; H302-G370 VanDerWaalsContact CD2-O 3.31Å; D367-G370 PolarHBondContact O-N 3.48Å; P368-G370 PolarHBondContact O-N 3.13Å
371	A	97.8	Very high	97.5	Very high	24 Å²	24	42.2 Å²	42.2	20%	0.198	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-77.3	132	-172.5	0	0	0	0	0	111	S336 L369 G373 K387 P388	S336-A371 PolarHBondContact OG-O 3.27Å; L369-A371 HydrophobicContact CB-CB 4.32Å; L369-A371 PolarHBondContact O-N 3.4Å; L369-A371 VanDerWaalsContact O-N 3.09Å; A371-G373 PolarHBondContact O-N 3.26Å; A371-K387 HydrophobicContact CB-CG 4.48Å; A371-K387 VanDerWaalsContact O-CD 3.24Å; A371-K387 WeakPolarHBondContact O-CD 3.4Å; A371-K387 WeakPolarHBondContact O-CE 3.28Å; A371-K387 WeakPolarHBondContact O-CG 3.4Å; A371-P388 HydrophobicContact CB-CG 3.65Å
372	M	98	Very high	97.5	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.059	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-77.6	120.9	172.3	-164.3	176.3	-175.2	0	0	110.1	Y291 I295 L298 W335	Y291-M372 HydrophobicContact CD1-CE 3.47Å; Y291-M372 VanDerWaalsContact CD1-CE 3.47Å; Y291-M372 HydrophobicContact CE1-CE 3.83Å; I295-M372 HydrophobicContact CD1-CE 3.52Å; I295-M372 HydrophobicContact CD1-CG 3.76Å; I295-M372 HydrophobicContact CD1-SD 3.5Å; I295-M372 VanDerWaalsContact CD1-SD 3.5Å; L298-M372 HydrophobicContact CB-CE 4.27Å; L298-M372 HydrophobicContact CB-SD 4.08Å; L298-M372 HydrophobicContact CD1-CE 4.34Å; W335-M372 HydrophobicContact CB-CE 4.04Å; W335-M372 HydrophobicContact CB-CG 4.15Å; W335-M372 HydrophobicContact CG-CE 3.9Å; W335-M372 HydrophobicContact CG-CG 4.45Å; W335-M372 WeakPolarHBondContact O-CG 3.2Å
373	G	98.1	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-68.3	152	175.2	0	0	0	0	0	112.7	I295 I334 A371 I386	I295-G373 WeakPolarHBondContact CD1-O 3.35Å; I334-G373 WeakPolarHBondContact O-CA 3.37Å; I334-G373 PolarHBondContact O-N 2.9Å; A371-G373 PolarHBondContact O-N 3.26Å; G373-I386 CarbonylContact C-O 3.51Å; G373-I386 WeakPolarHBondContact CA-O 3.5Å
374	K	97.7	Very high	97.5	Very high	83 Å²	83	39.2 Å²	39.2	36%	0.361	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.8	-171.4	-55.2	-176.1	179.7	174.7	0	110.3	I295 V376 Y385 I386	I295-K374 HydrophobicContact CD1-CG 4.24Å; I295-K374 HydrophobicContact CG1-CB 4.25Å; I295-K374 HydrophobicContact CG1-CD 4.39Å; I295-K374 HydrophobicContact CG1-CG 3.78Å; K374-V376 PolarHBondContact O-N 3.05Å; K374-Y385 CarbonylContact O-C 3.6Å; K374-Y385 WeakPolarHBondContact O-CA 3.13Å; K374-I386 PolarHBondContact N-O 2.95Å; K374-I386 PolarHBondContact O-N 2.85Å
375	K	97.7	Very high	97.5	Very high	91 Å²	91	39.2 Å²	39.2	40%	0.396	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120.7	165.9	-173.5	171.3	64.1	-170.6	0	108.6	D292 A383 I384 Y385	D292-K375 IonicContact OD2-NZ 2.75Å; D292-K375 PolarHBondContact OD2-NZ 2.88Å; K375-A383 HydrophobicContact CD-CB 3.81Å; K375-A383 HydrophobicContact CG-CB 4.35Å; K375-I384 CarbonylContact C-O 3.58Å; K375-I384 WeakPolarHBondContact CA-O 3.45Å; K375-Y385 HydrophobicContact CB-CD1 3.89Å; K375-Y385 HydrophobicContact CB-CE1 3.68Å; K375-Y385 HydrophobicContact CB-CG 4.48Å; K375-Y385 HydrophobicContact CG-CE1 4.42Å
376	V	97.5	Very high	97.5	Very high	67 Å²	67	40 Å²	40	41%	0.406	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-21.9	-176.5	-68.8	0	0	0	0	113.5	K374 I384 I386 L423	K374-V376 PolarHBondContact O-N 3.05Å; V376-I384 PolarHBondContact N-O 3.35Å; V376-I386 HydrophobicContact CB-CG1 4.44Å; V376-I386 HydrophobicContact CG1-CD1 3.86Å; V376-I386 HydrophobicContact CG1-CG1 3.64Å; V376-I386 HydrophobicContact CG2-CB 4.46Å; V376-I386 HydrophobicContact CG2-CD1 4.17Å; V376-I386 HydrophobicContact CG2-CG1 3.95Å; V376-I386 HydrophobicContact CG2-CG2 3.89Å; V376-L423 HydrophobicContact CG2-CB 4.33Å; V376-L423 HydrophobicContact CG2-CD2 4.19Å
377	A	97	Very high	97.5	Very high	30 Å²	30	37.7 Å²	37.7	25%	0.248	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.3	179.6	0	0	0	0	0	111.4	I384 L423	A377-I384 HydrophobicContact CB-CB 4.34Å; A377-I384 HydrophobicContact CB-CD1 4.34Å; A377-I384 PolarHBondContact N-O 3.02Å; A377-I384 PolarHBondContact O-N 2.78Å; A377-L423 HydrophobicContact CB-CD2 3.91Å
378	S	97.1	Very high	97.4	Very high	78 Å²	78	39.2 Å²	39.2	55%	0.545	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121.1	164.2	-173.6	0	0	0	0	107.7	V382	S378-V382 VanDerWaalsContact CA-O 3.31Å; S378-V382 WeakPolarHBondContact CA-O 3.35Å
379	V	96.2	Very high	97.4	Very high	46 Å²	46	36.6 Å²	36.6	28%	0.279	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.4	-178.8	179.9	0	0	0	0	107.8	D381 V382 I384 V416	V379-D381 PolarHBondContact O-N 3.37Å; V379-V382 PolarHBondContact N-O 3.28Å; V379-V382 WeakPolarHBondContact O-CB 3.44Å; V379-V382 PolarHBondContact O-N 3.15Å; V379-I384 HydrophobicContact CB-CD1 4.3Å; V379-I384 HydrophobicContact CG2-CD1 3.95Å; V379-V416 HydrophobicContact CB-CG1 3.94Å; V379-V416 HydrophobicContact CG1-CG1 3.97Å
380	N	93.7	Very high	97.5	Very high	87 Å²	87	36.2 Å²	36.2	47%	0.465	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.1	-176	-166.8	20.9	0	0	0	112.5	V382 F415	N380-V382 PolarHBondContact O-N 3.37Å; N380-V382 VanDerWaalsContact O-N 3.11Å; N380-F415 PolarHBondContact ND2-O 2.8Å
381	D	94.1	Very high	97.4	Very high	118 Å²	118	38.6 Å²	38.6	63%	0.631	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	14	-175.6	-55.7	-42.3	0	0	0	115.9	V379	V379-D381 PolarHBondContact O-N 3.37Å
382	V	98.6	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.2	170.5	178.8	0	0	0	0	109.1	S378 V379 N380 F405 F406 N407 K414 V416 V455	S378-V382 VanDerWaalsContact CA-O 3.31Å; S378-V382 WeakPolarHBondContact CA-O 3.35Å; V379-V382 PolarHBondContact N-O 3.28Å; V379-V382 WeakPolarHBondContact O-CB 3.44Å; V379-V382 PolarHBondContact O-N 3.15Å; N380-V382 PolarHBondContact O-N 3.37Å; N380-V382 VanDerWaalsContact O-N 3.11Å; V382-F405 HydrophobicContact CG1-CB 3.96Å; V382-F406 WeakPolarHBondContact CA-O 3.36Å; V382-F406 WeakPolarHBondContact CG1-O 3.43Å; V382-N407 HydrophobicContact CG2-CB 4.18Å; V382-K414 HydrophobicContact CG2-CB 3.47Å; V382-K414 VanDerWaalsContact CG2-CB 3.47Å; V382-K414 HydrophobicContact CG2-CG 3.94Å; V382-V416 HydrophobicContact CB-CG2 3.6Å; V382-V416 HydrophobicContact CG1-CG2 4.01Å; V382-V416 HydrophobicContact CG2-CG2 3.5Å; V382-V416 VanDerWaalsContact CG2-CG2 3.5Å; V382-V455 HydrophobicContact CG1-CG2 4.13Å
383	A	98.5	Very high	97.1	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132	174.7	0	0	0	0	0	110.2	K375 Y385 F406	K375-A383 HydrophobicContact CD-CB 3.81Å; K375-A383 HydrophobicContact CG-CB 4.35Å; A383-Y385 HydrophobicContact CB-CE2 3.72Å; A383-F406 PolarHBondContact N-O 3.2Å; A383-F406 PolarHBondContact O-N 3.43Å
384	I	98.7	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123	-179.5	-49.5	175.7	0	0	0	109.3	K375 V376 A377 V379 I403 V404 F405 V416 T418 L423	K375-I384 CarbonylContact C-O 3.58Å; K375-I384 WeakPolarHBondContact CA-O 3.45Å; V376-I384 PolarHBondContact N-O 3.35Å; A377-I384 HydrophobicContact CB-CB 4.34Å; A377-I384 HydrophobicContact CB-CD1 4.34Å; A377-I384 PolarHBondContact N-O 3.02Å; A377-I384 PolarHBondContact O-N 2.78Å; V379-I384 HydrophobicContact CB-CD1 4.3Å; V379-I384 HydrophobicContact CG2-CD1 3.95Å; I384-I403 HydrophobicContact CG2-CG2 3.98Å; I384-V404 CarbonylContact C-O 3.6Å; I384-V404 WeakPolarHBondContact CA-O 3.41Å; I384-F405 HydrophobicContact CD1-CD1 3.95Å; I384-F405 HydrophobicContact CD1-CE1 3.83Å; I384-F405 HydrophobicContact CG1-CD1 3.84Å; I384-F405 HydrophobicContact CG1-CE1 4.16Å; I384-F405 HydrophobicContact CG2-CD1 4.29Å; I384-F405 HydrophobicContact CG2-CE1 4.2Å; I384-V416 HydrophobicContact CD1-CG1 4.12Å; I384-T418 HydrophobicContact CD1-CG2 4.34Å; I384-L423 HydrophobicContact CB-CD2 4.16Å; I384-L423 HydrophobicContact CD1-CD2 3.94Å; I384-L423 HydrophobicContact CG2-CD1 3.87Å; I384-L423 HydrophobicContact CG2-CD2 3.73Å; I384-L423 HydrophobicContact CG2-CG 4.47Å
385	Y	98.8	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.6	178.7	-58.2	-106.5	0	0	0	110.1	D292 L331 I334 W335 K374 K375 A383 I403 V404 F406	D292-Y385 WeakPolarHBondContact OD1-CE1 3.45Å; D292-Y385 PolarHBondContact OD1-OH 3.17Å; D292-Y385 PolarHBondContact OD2-OH 2.85Å; L331-Y385 HydrophobicContact CD2-CD1 4.38Å; L331-Y385 HydrophobicContact CD2-CD2 3.9Å; L331-Y385 HydrophobicContact CD2-CE1 4.12Å; L331-Y385 HydrophobicContact CD2-CE2 3.63Å; L331-Y385 HydrophobicContact CD2-CG 4.29Å; I334-Y385 HydrophobicContact CG2-CD1 4.47Å; I334-Y385 HydrophobicContact CG2-CG 4.49Å; W335-Y385 HydrophobicContact CZ2-CE1 4.44Å; K374-Y385 CarbonylContact O-C 3.6Å; K374-Y385 WeakPolarHBondContact O-CA 3.13Å; K375-Y385 HydrophobicContact CB-CD1 3.89Å; K375-Y385 HydrophobicContact CB-CE1 3.68Å; K375-Y385 HydrophobicContact CB-CG 4.48Å; K375-Y385 HydrophobicContact CG-CE1 4.42Å; A383-Y385 HydrophobicContact CB-CE2 3.72Å; Y385-I403 CarbonylContact O-C 3.52Å; Y385-I403 VanDerWaalsContact O-CA 3.28Å; Y385-I403 WeakPolarHBondContact O-CA 2.92Å; Y385-V404 HydrophobicContact CD2-CB 4.4Å; Y385-V404 PolarHBondContact N-O 2.95Å; Y385-V404 PolarHBondContact O-N 3.48Å; Y385-F406 HydrophobicContact CE2-CB 4.08Å; Y385-F406 HydrophobicContact CE2-CD1 4.41Å
386	I	98.4	Very high	95.9	Very high	17 Å²	17	51.2 Å²	51.2	9%	0.087	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.1	170.5	67.4	173.2	0	0	0	111.4	G373 K374 V376 W401 G402 I403 L423	G373-I386 CarbonylContact C-O 3.51Å; G373-I386 WeakPolarHBondContact CA-O 3.5Å; K374-I386 PolarHBondContact N-O 2.95Å; K374-I386 PolarHBondContact O-N 2.85Å; V376-I386 HydrophobicContact CB-CG1 4.44Å; V376-I386 HydrophobicContact CG1-CD1 3.86Å; V376-I386 HydrophobicContact CG1-CG1 3.64Å; V376-I386 HydrophobicContact CG2-CB 4.46Å; V376-I386 HydrophobicContact CG2-CD1 4.17Å; V376-I386 HydrophobicContact CG2-CG1 3.95Å; V376-I386 HydrophobicContact CG2-CG2 3.89Å; I386-W401 HydrophobicContact CB-CE3 4.38Å; I386-W401 HydrophobicContact CD1-CE3 4.18Å; I386-W401 HydrophobicContact CD1-CZ3 3.99Å; I386-G402 CarbonylContact C-O 3.43Å; I386-G402 VanDerWaalsContact CA-O 3.27Å; I386-G402 WeakPolarHBondContact CA-O 3.36Å; I386-I403 HydrophobicContact CG2-CG1 4.33Å; I386-I403 HydrophobicContact CG2-CG2 4.39Å; I386-L423 WeakPolarHBondContact CD1-O 3.44Å; I386-L423 HydrophobicContact CG2-CB 4.28Å; I386-L423 HydrophobicContact CG2-CD1 4.26Å
387	K	98.2	Very high	95.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.8	174.5	173	173.8	168.5	172.2	0	109.4	C333 I334 S336 M364 D365 A371 M389 W401 G402	C333-K387 PolarHBondContact O-NZ 2.98Å; I334-K387 HydrophobicContact CD1-CB 3.42Å; I334-K387 VanDerWaalsContact CD1-CB 3.42Å; I334-K387 HydrophobicContact CD1-CD 4.37Å; I334-K387 HydrophobicContact CG1-CB 3.98Å; I334-K387 WeakPolarHBondContact O-CD 3.47Å; S336-K387 WeakPolarHBondContact OG-CE 3.25Å; S336-K387 PolarHBondContact OG-NZ 3.03Å; M364-K387 VanDerWaalsContact O-CE 3.3Å; M364-K387 WeakPolarHBondContact O-CE 3.28Å; M364-K387 PolarHBondContact O-NZ 3.44Å; D365-K387 PolarHBondContact O-NZ 3.25Å; A371-K387 HydrophobicContact CB-CG 4.48Å; A371-K387 VanDerWaalsContact O-CD 3.24Å; A371-K387 WeakPolarHBondContact O-CD 3.4Å; A371-K387 WeakPolarHBondContact O-CE 3.28Å; A371-K387 WeakPolarHBondContact O-CG 3.4Å; K387-M389 HydrophobicContact CD-CG 4.44Å; K387-M389 HydrophobicContact CG-CG 4.07Å; K387-W401 CarbonylContact O-C 3.58Å; K387-W401 WeakPolarHBondContact O-CA 3.22Å; K387-G402 PolarHBondContact N-O 2.88Å; K387-G402 PolarHBondContact O-N 3.31Å
388	P	97.8	Very high	95.5	Very high	39 Å²	39	52.6 Å²	52.6	25%	0.253	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.2	170.4	30.7	-33.9	0	0	0	109.9	L369 A371 P399 S400 W401	L369-P388 HydrophobicContact CD1-CB 4.46Å; A371-P388 HydrophobicContact CB-CG 3.65Å; P388-P399 HydrophobicContact CB-CB 3.72Å; P388-P399 HydrophobicContact CB-CG 3.51Å; P388-S400 CarbonylContact C-O 3.56Å; P388-W401 HydrophobicContact CB-CE3 4.17Å; P388-W401 HydrophobicContact CB-CH2 4.29Å; P388-W401 HydrophobicContact CB-CZ3 3.77Å; P388-W401 HydrophobicContact CG-CZ3 4.4Å
389	M	98.2	Very high	95.5	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	165.5	-173.7	-67.1	179	62.7	0	0	111.6	M364 D367 K387 P399 S400 G402 K464	M364-M389 HydrophobicContact CB-CE 4.03Å; M364-M389 HydrophobicContact CB-SD 4.31Å; M364-M389 HydrophobicContact CG-CE 4.15Å; M364-M389 HydrophobicContact CG-SD 3.79Å; D367-M389 HydrophobicContact CB-CE 4.27Å; D367-M389 HydrophobicContact CB-CG 4.32Å; D367-M389 WeakPolarHBondContact OD1-CB 3.1Å; K387-M389 HydrophobicContact CD-CG 4.44Å; K387-M389 HydrophobicContact CG-CG 4.07Å; M389-P399 WeakPolarHBondContact O-CB 3.41Å; M389-S400 PolarHBondContact N-O 3.24Å; M389-S400 PolarHBondContact O-N 2.93Å; M389-G402 PolarHBondContact SD-N 3.48Å; M389-G402 VanDerWaalsContact SD-N 3.4Å; M389-K464 HydrophobicContact CE-CD 4.33Å
390	L	97.4	Very high	95.6	Very high	59 Å²	59	47.7 Å²	47.7	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	154.1	167.1	-67.2	-174.7	0	0	0	112.4	D367 P368 L369 L392 K464	D367-L390 PolarHBondContact OD1-N 2.85Å; P368-L390 HydrophobicContact CB-CD1 3.8Å; P368-L390 HydrophobicContact CG-CD1 3.79Å; L369-L390 HydrophobicContact CD1-CD2 4.43Å; L369-L390 HydrophobicContact CD2-CD2 3.95Å; L369-L390 HydrophobicContact CD2-CG 4.28Å; L369-L390 HydrophobicContact CG-CD2 4.16Å; L369-L390 HydrophobicContact CG-CG 4.08Å; L390-L392 HydrophobicContact CD2-CD2 4Å; L390-L392 HydrophobicContact CD2-CG 3.74Å; L390-K464 PolarHBondContact O-NZ 3.31Å
391	P	96.3	Very high	95.8	Very high	52 Å²	52	45 Å²	45	34%	0.338	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-74.9	158	-3.7	32.5	-37.2	0	0	0	113.2	S400 T466	P391-S400 WeakPolarHBondContact CD-OG 3.5Å; P391-S400 WeakPolarHBondContact O-CB 3.36Å; P391-S400 PolarHBondContact O-N 2.89Å; P391-S400 PolarHBondContact O-OG 2.92Å; P391-T466 HydrophobicContact CG-CG2 4.11Å
392	L	95.4	Very high	96	Very high	44 Å²	44	39.4 Å²	39.4	23%	0.23	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.9	165.3	-51.1	-177	0	0	0	109.9	L369 L390 N397 C398 P399	L369-L392 HydrophobicContact CD1-CD2 4.23Å; L390-L392 HydrophobicContact CD2-CD2 4Å; L390-L392 HydrophobicContact CD2-CG 3.74Å; L392-N397 WeakPolarHBondContact CD1-OD1 3.4Å; L392-C398 CarbonylContact C-O 3.5Å; L392-C398 VanDerWaalsContact CA-O 3.22Å; L392-C398 WeakPolarHBondContact CA-O 3.47Å; L392-P399 HydrophobicContact CD2-CB 3.65Å
393	H	93.1	Very high	96	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.069	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-70.9	132.3	171.6	-176.6	-75.3	0	0	0	110.2	Y396 N397 C398 V467 E468 N469	H393-Y396 AromaticContact CE1-CD2 3.35Å; H393-Y396 WeakPolarHBondContact CE1-CD2 3.2Å; H393-Y396 AromaticContact CE1-CE2 3.87Å; H393-Y396 AromaticContact ND1-CD2 3.45Å; H393-Y396 WeakPolarHBondContact ND1-CD2 3.43Å; H393-N397 VanDerWaalsContact O-CA 3.25Å; H393-N397 WeakPolarHBondContact O-CA 3.48Å; H393-N397 PolarHBondContact O-N 2.89Å; H393-C398 WeakPolarHBondContact CB-SG 3.27Å; H393-C398 PolarHBondContact N-O 3.21Å; H393-V467 HydrophobicContact CB-CB 4.33Å; H393-V467 HydrophobicContact CB-CG1 3.7Å; H393-V467 HydrophobicContact CB-CG2 3.76Å; H393-E468 PolarHBondContact CD2-O 2.97Å; H393-E468 VanDerWaalsContact CD2-O 3.25Å; H393-N469 WeakPolarHBondContact CA-OD1 3.38Å
394	K	88.5	Confident	96	Very high	165 Å²	165	39.1 Å²	39.1	72%	0.717	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	122.6	171.2	-65.2	-177.8	178.8	-179.5	0	109.1	N469	K394-N469 PolarHBondContact N-OD1 3.44Å
395	P	89.6	Confident	96	Very high	103 Å²	103	39.1 Å²	39.1	67%	0.669	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	cis	-100.6	-10	20.3	37	-36.3	0	0	0	116.6	N397	P395-N397 PolarHBondContact O-N 3.44Å; P395-N397 VanDerWaalsContact O-N 3.15Å
396	Y	91.1	Very high	96	Very high	147 Å²	147	39.1 Å²	39.1	58%	0.576	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.7	-171.5	-60.4	-67	0	0	0	115.8	H393 C398 P428	H393-Y396 AromaticContact CE1-CD2 3.35Å; H393-Y396 WeakPolarHBondContact CE1-CD2 3.2Å; H393-Y396 AromaticContact CE1-CE2 3.87Å; H393-Y396 AromaticContact ND1-CD2 3.45Å; H393-Y396 WeakPolarHBondContact ND1-CD2 3.43Å; Y396-C398 PolarHBondContact O-N 3.46Å; Y396-P428 HydrophobicContact CD1-CG 4.03Å; Y396-P428 HydrophobicContact CD2-CB 3.77Å; Y396-P428 HydrophobicContact CD2-CG 3.57Å; Y396-P428 HydrophobicContact CE1-CG 4.01Å; Y396-P428 HydrophobicContact CE2-CB 3.52Å; Y396-P428 HydrophobicContact CE2-CG 3.6Å; Y396-P428 HydrophobicContact CG-CG 3.83Å
397	N	92.4	Very high	96	Very high	111 Å²	111	38.3 Å²	38.3	59%	0.594	20%	0.196	S	C	*	.			trans	54.6	21.6	-179.6	-156.9	57.5	0	0	0	114.4	L392 H393 P395	L392-N397 WeakPolarHBondContact CD1-OD1 3.4Å; H393-N397 VanDerWaalsContact O-CA 3.25Å; H393-N397 WeakPolarHBondContact O-CA 3.48Å; H393-N397 PolarHBondContact O-N 2.89Å; P395-N397 PolarHBondContact O-N 3.44Å; P395-N397 VanDerWaalsContact O-N 3.15Å
398	C	94	Very high	96	Very high	15 Å²	15	41.5 Å²	41.5	10%	0.101	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-74.1	150.3	171.1	78.4	0	0	0	0	108.9	L392 H393 Y396 C427	L392-C398 CarbonylContact C-O 3.5Å; L392-C398 VanDerWaalsContact CA-O 3.22Å; L392-C398 WeakPolarHBondContact CA-O 3.47Å; H393-C398 WeakPolarHBondContact CB-SG 3.27Å; H393-C398 PolarHBondContact N-O 3.21Å; Y396-C398 PolarHBondContact O-N 3.46Å; C398-C427 HydrophobicContact CB-CB 3.67Å; C398-C427 WeakPolarHBondContact CB-SG 3.35Å; C398-C427 WeakPolarHBondContact SG-CB 3.45Å; C398-C427 CovalentContact SG-SG 2Å; C398-C427 PolarHBondContact SG-SG 3.32Å
399	P	96.6	Very high	95.9	Very high	21 Å²	21	42.2 Å²	42.2	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	164.6	-179.7	36.3	-34.4	0	0	0	112.3	P388 M389 L392 W401	P388-P399 HydrophobicContact CB-CB 3.72Å; P388-P399 HydrophobicContact CB-CG 3.51Å; M389-P399 WeakPolarHBondContact O-CB 3.41Å; L392-P399 HydrophobicContact CD2-CB 3.65Å; P399-W401 HydrophobicContact CG-CD2 4.18Å; P399-W401 HydrophobicContact CG-CE3 4.37Å; P399-W401 HydrophobicContact CG-CH2 3.62Å; P399-W401 HydrophobicContact CG-CZ2 3.37Å; P399-W401 HydrophobicContact CG-CZ3 4.11Å; P399-W401 PolarHBondContact O-NE1 3.43Å; P399-W401 VanDerWaalsContact O-NE1 3.11Å
400	S	97.8	Very high	95.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	164.7	154	-62.6	0	0	0	0	109.1	P388 M389 P391 A465 V467	P388-S400 CarbonylContact C-O 3.56Å; M389-S400 PolarHBondContact N-O 3.24Å; M389-S400 PolarHBondContact O-N 2.93Å; P391-S400 WeakPolarHBondContact CD-OG 3.5Å; P391-S400 WeakPolarHBondContact O-CB 3.36Å; P391-S400 PolarHBondContact O-N 2.89Å; P391-S400 PolarHBondContact O-OG 2.92Å; S400-A465 CarbonylContact C-O 3.59Å; S400-A465 WeakPolarHBondContact CA-O 3.25Å; S400-A465 WeakPolarHBondContact CB-O 3.32Å; S400-V467 PolarHBondContact OG-N 3.26Å
401	W	98.3	Very high	95.5	Very high	31 Å²	31	48.4 Å²	48.4	12%	0.117	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.5	-174.5	-57.2	94.1	0	0	0	112.2	I386 K387 P388 P399 I403 A425 F431 K464 A465	I386-W401 HydrophobicContact CB-CE3 4.38Å; I386-W401 HydrophobicContact CD1-CE3 4.18Å; I386-W401 HydrophobicContact CD1-CZ3 3.99Å; K387-W401 CarbonylContact O-C 3.58Å; K387-W401 WeakPolarHBondContact O-CA 3.22Å; P388-W401 HydrophobicContact CB-CE3 4.17Å; P388-W401 HydrophobicContact CB-CH2 4.29Å; P388-W401 HydrophobicContact CB-CZ3 3.77Å; P388-W401 HydrophobicContact CG-CZ3 4.4Å; P399-W401 HydrophobicContact CG-CD2 4.18Å; P399-W401 HydrophobicContact CG-CE3 4.37Å; P399-W401 HydrophobicContact CG-CH2 3.62Å; P399-W401 HydrophobicContact CG-CZ2 3.37Å; P399-W401 HydrophobicContact CG-CZ3 4.11Å; P399-W401 PolarHBondContact O-NE1 3.43Å; P399-W401 VanDerWaalsContact O-NE1 3.11Å; W401-I403 HydrophobicContact CB-CG1 4.31Å; W401-A425 HydrophobicContact CD2-CB 3.72Å; W401-A425 HydrophobicContact CE3-CB 4.42Å; W401-A425 HydrophobicContact CG-CB 3.8Å; W401-A425 HydrophobicContact CZ2-CB 4.13Å; W401-F431 AromaticContact CD1-CE1 3.59Å; W401-F431 AromaticContact NE1-CE1 3.9Å; W401-K464 CarbonylContact O-C 3.54Å; W401-K464 WeakPolarHBondContact O-CA 3.26Å; W401-A465 HydrophobicContact CB-CB 4.33Å; W401-A465 PolarHBondContact N-O 3.47Å; W401-A465 PolarHBondContact O-N 3.02Å
402	G	98.6	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.9	157.9	0	0	0	0	0	109	I386 K387 M389	I386-G402 CarbonylContact C-O 3.43Å; I386-G402 VanDerWaalsContact CA-O 3.27Å; I386-G402 WeakPolarHBondContact CA-O 3.36Å; K387-G402 PolarHBondContact N-O 2.88Å; K387-G402 PolarHBondContact O-N 3.31Å; M389-G402 PolarHBondContact SD-N 3.48Å; M389-G402 VanDerWaalsContact SD-N 3.4Å
403	I	98.8	Very high	95.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.7	-176.7	-49.2	173.8	0	0	0	108.7	I384 Y385 I386 W401 F405 L420 L423 V462 L463 A465	I384-I403 HydrophobicContact CG2-CG2 3.98Å; Y385-I403 CarbonylContact O-C 3.52Å; Y385-I403 VanDerWaalsContact O-CA 3.28Å; Y385-I403 WeakPolarHBondContact O-CA 2.92Å; I386-I403 HydrophobicContact CG2-CG1 4.33Å; I386-I403 HydrophobicContact CG2-CG2 4.39Å; W401-I403 HydrophobicContact CB-CG1 4.31Å; I403-F405 HydrophobicContact CB-CE2 4.44Å; I403-F405 HydrophobicContact CG2-CD2 4.13Å; I403-F405 HydrophobicContact CG2-CE2 3.55Å; I403-F405 HydrophobicContact CG2-CZ 3.96Å; I403-L420 HydrophobicContact CD1-CD2 3.47Å; I403-L420 VanDerWaalsContact CD1-CD2 3.47Å; I403-L423 HydrophobicContact CG2-CD1 4.23Å; I403-V462 CarbonylContact O-C 3.43Å; I403-V462 WeakPolarHBondContact O-CA 3.47Å; I403-L463 HydrophobicContact CB-CB 4.34Å; I403-L463 PolarHBondContact N-O 3.02Å; I403-L463 PolarHBondContact O-N 3.15Å; I403-A465 HydrophobicContact CD1-CB 4.3Å
404	V	98.9	Very high	95.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.6	173.7	178.6	0	0	0	0	109	A330 L331 I334 M364 I384 Y385 F406 V460 V462	A330-V404 HydrophobicContact CB-CG1 4.14Å; A330-V404 HydrophobicContact CB-CG2 4.26Å; L331-V404 HydrophobicContact CD2-CG1 4.26Å; I334-V404 HydrophobicContact CB-CG2 3.84Å; I334-V404 HydrophobicContact CD1-CG2 4Å; I334-V404 HydrophobicContact CG1-CG2 3.94Å; I334-V404 HydrophobicContact CG2-CG2 4.29Å; M364-V404 HydrophobicContact CE-CG2 4.31Å; I384-V404 CarbonylContact C-O 3.6Å; I384-V404 WeakPolarHBondContact CA-O 3.41Å; Y385-V404 HydrophobicContact CD2-CB 4.4Å; Y385-V404 PolarHBondContact N-O 2.95Å; Y385-V404 PolarHBondContact O-N 3.48Å; V404-F406 HydrophobicContact CG1-CB 4.42Å; V404-V460 HydrophobicContact CG1-CB 4.26Å; V404-V460 HydrophobicContact CG1-CG1 3.8Å; V404-V462 HydrophobicContact CG1-CG2 4.38Å; V404-V462 HydrophobicContact CG2-CG1 3.99Å; V404-V462 HydrophobicContact CG2-CG2 4.13Å
405	F	98.8	Very high	96.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.5	167	-60.1	-99.3	0	0	0	107.6	V382 I384 I403 V416 T418 I451 V453 V455 V460 V461 L463	V382-F405 HydrophobicContact CG1-CB 3.96Å; I384-F405 HydrophobicContact CD1-CD1 3.95Å; I384-F405 HydrophobicContact CD1-CE1 3.83Å; I384-F405 HydrophobicContact CG1-CD1 3.84Å; I384-F405 HydrophobicContact CG1-CE1 4.16Å; I384-F405 HydrophobicContact CG2-CD1 4.29Å; I384-F405 HydrophobicContact CG2-CE1 4.2Å; I403-F405 HydrophobicContact CB-CE2 4.44Å; I403-F405 HydrophobicContact CG2-CD2 4.13Å; I403-F405 HydrophobicContact CG2-CE2 3.55Å; I403-F405 HydrophobicContact CG2-CZ 3.96Å; F405-V416 HydrophobicContact CD1-CG1 4.06Å; F405-V416 HydrophobicContact CE1-CG1 4.05Å; F405-T418 HydrophobicContact CE1-CG2 3.85Å; F405-T418 HydrophobicContact CZ-CG2 4.06Å; F405-I451 HydrophobicContact CZ-CG2 4.18Å; F405-V453 HydrophobicContact CB-CG2 4.42Å; F405-V453 HydrophobicContact CD1-CG2 3.7Å; F405-V453 HydrophobicContact CD2-CG2 4.17Å; F405-V453 HydrophobicContact CE1-CG2 3.9Å; F405-V453 HydrophobicContact CE2-CG2 4.37Å; F405-V453 HydrophobicContact CG-CG2 3.85Å; F405-V453 HydrophobicContact CZ-CG2 4.24Å; F405-V455 HydrophobicContact CB-CG1 4.5Å; F405-V455 HydrophobicContact CB-CG2 3.79Å; F405-V455 WeakPolarHBondContact O-CG1 3.47Å; F405-V460 CarbonylContact O-C 3.35Å; F405-V460 WeakPolarHBondContact O-CA 3.42Å; F405-V460 WeakPolarHBondContact O-CB 3.37Å; F405-V461 HydrophobicContact CB-CB 4.32Å; F405-V461 HydrophobicContact CD2-CB 4.32Å; F405-V461 HydrophobicContact CD2-CG1 4.42Å; F405-V461 PolarHBondContact N-O 2.86Å; F405-V461 PolarHBondContact O-N 2.8Å; F405-L463 HydrophobicContact CE2-CD1 3.78Å; F405-L463 HydrophobicContact CE2-CG 4.14Å
406	F	98.8	Very high	96.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.7	-176.2	174.5	-136.4	0	0	0	111.4	W281 I288 A327 L331 V382 A383 Y385 V404 R408 G459 V460	W281-F406 AromaticContact CH2-CE2 3.89Å; W281-F406 HydrophobicContact CH2-CE2 3.89Å; W281-F406 AromaticContact CH2-CZ 3.89Å; W281-F406 HydrophobicContact CH2-CZ 3.89Å; W281-F406 AromaticContact CZ2-CE2 3.92Å; W281-F406 HydrophobicContact CZ2-CE2 3.92Å; W281-F406 AromaticContact CZ2-CZ 3.79Å; W281-F406 HydrophobicContact CZ2-CZ 3.79Å; I288-F406 HydrophobicContact CD1-CE1 4.05Å; I288-F406 HydrophobicContact CD1-CZ 4.03Å; I288-F406 HydrophobicContact CG2-CE1 4.15Å; A327-F406 HydrophobicContact CB-CD2 4.07Å; A327-F406 HydrophobicContact CB-CE2 3.78Å; L331-F406 HydrophobicContact CD1-CD1 3.8Å; L331-F406 HydrophobicContact CD1-CD2 4.32Å; L331-F406 HydrophobicContact CD1-CE1 3.88Å; L331-F406 HydrophobicContact CD1-CE2 4.41Å; L331-F406 HydrophobicContact CD1-CG 4.04Å; L331-F406 HydrophobicContact CD1-CZ 4.2Å; V382-F406 WeakPolarHBondContact CA-O 3.36Å; V382-F406 WeakPolarHBondContact CG1-O 3.43Å; A383-F406 PolarHBondContact N-O 3.2Å; A383-F406 PolarHBondContact O-N 3.43Å; Y385-F406 HydrophobicContact CE2-CB 4.08Å; Y385-F406 HydrophobicContact CE2-CD1 4.41Å; V404-F406 HydrophobicContact CG1-CB 4.42Å; F406-R408 HydrophobicContact CD1-CG 3.89Å; F406-R408 HydrophobicContact CE1-CG 3.41Å; F406-R408 VanDerWaalsContact CE1-CG 3.41Å; F406-R408 HydrophobicContact CZ-CG 3.78Å; F406-G459 WeakPolarHBondContact CD2-O 3.38Å; F406-V460 HydrophobicContact CB-CG1 4.03Å; F406-V460 HydrophobicContact CD2-CG1 3.79Å; F406-V460 HydrophobicContact CG-CG1 4.31Å
407	N	98.6	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.9	178.2	-179.6	9	0	0	0	110	V382 D409 G412 V455 P456 T458 G459	V382-N407 HydrophobicContact CG2-CB 4.18Å; N407-D409 WeakPolarHBondContact OD1-CB 3.44Å; N407-D409 PolarHBondContact OD1-N 2.76Å; N407-G412 PolarHBondContact ND2-O 3.23Å; N407-V455 HydrophobicContact CB-CB 3.93Å; N407-V455 HydrophobicContact CB-CG1 3.48Å; N407-V455 VanDerWaalsContact CB-CG1 3.48Å; N407-V455 PolarHBondContact ND2-O 2.83Å; N407-P456 WeakPolarHBondContact CB-O 3.42Å; N407-P456 PolarHBondContact ND2-O 2.99Å; N407-T458 CarbonylContact O-C 3.38Å; N407-T458 WeakPolarHBondContact O-CA 3.34Å; N407-T458 PolarHBondContact O-N 3.47Å; N407-G459 PolarHBondContact N-O 3.24Å
408	R	96.2	Very high	97.3	Very high	66 Å²	66	37.1 Å²	37.1	25%	0.249	20%	0.203	C	C	.	.			trans	-83.3	-12.7	179.6	-71.1	169.8	168	-108.5	8.5	113.1	D289 D292 F406	D289-R408 IonicContact OD1-CZ 2.64Å; D289-R408 IonicContact OD1-NH1 3.94Å; D289-R408 PolarHBondContact OD1-NH1 3.35Å; D289-R408 IonicContact OD1-NH2 2.86Å; D289-R408 PolarHBondContact OD1-NH2 3.32Å; D289-R408 IonicContact OD2-NH1 2.95Å; D292-R408 IonicContact OD2-NH2 3.16Å; D292-R408 PolarHBondContact OD2-NH2 3.37Å; D292-R408 VanDerWaalsContact OD2-NH2 3.08Å; F406-R408 HydrophobicContact CD1-CG 3.89Å; F406-R408 HydrophobicContact CE1-CG 3.41Å; F406-R408 VanDerWaalsContact CE1-CG 3.41Å; F406-R408 HydrophobicContact CZ-CG 3.78Å
409	D	95.7	Very high	97.5	Very high	55 Å²	55	37.9 Å²	37.9	29%	0.294	21%	0.207	S	C	.	.			trans	-63.4	132.8	178.6	-165.4	-45.8	0	0	0	110.1	N407 A411 G412 K414 P457 T458	N407-D409 WeakPolarHBondContact OD1-CB 3.44Å; N407-D409 PolarHBondContact OD1-N 2.76Å; D409-A411 VanDerWaalsContact C-N 3.34Å; D409-A411 PolarHBondContact OD1-N 3.15Å; D409-G412 PolarHBondContact OD1-N 2.91Å; D409-K414 WeakPolarHBondContact OD2-CE 3.21Å; D409-K414 IonicContact OD2-NZ 2.74Å; D409-K414 PolarHBondContact OD2-NZ 2.78Å; D409-P457 CarbonylContact O-C 3.5Å; D409-P457 VanDerWaalsContact O-CA 3.22Å; D409-P457 WeakPolarHBondContact O-CA 3.4Å; D409-P457 VanDerWaalsContact O-CB 3.32Å; D409-P457 WeakPolarHBondContact O-CB 3.16Å; D409-T458 PolarHBondContact O-N 3.13Å
410	V	94.2	Very high	97.5	Very high	111 Å²	111	36.9 Å²	36.9	67%	0.673	20%	0.201	S	C	*	.	S	Bend	trans	-81.2	-14	-175.8	-63.9	0	0	0	0	113.7	T458	V410-T458 HydrophobicContact CB-CG2 4.37Å; V410-T458 HydrophobicContact CG1-CG2 4.15Å
411	A	94.1	Very high	97.5	Very high	81 Å²	81	37.3 Å²	37.3	67%	0.669	21%	0.205	S	C	*	.	S	Bend	trans	-133.7	-40.3	-173.7	0	0	0	0	0	113.1	D409	D409-A411 VanDerWaalsContact C-N 3.34Å; D409-A411 PolarHBondContact OD1-N 3.15Å
412	G	95.6	Very high	97.4	Very high	24 Å²	24	38.7 Å²	38.7	25%	0.247	23%	0.229	C	C	.	.			trans	-84.9	122.3	-174.1	0	0	0	0	0	113.2	N407 D409	N407-G412 PolarHBondContact ND2-O 3.23Å; D409-G412 PolarHBondContact OD1-N 2.91Å
413	M	97.8	Very high	97.3	Very high	117 Å²	117	39 Å²	39	58%	0.576	23%	0.231	S	C	*	.			trans	-65.6	137.3	158.7	-174.1	175.7	78.5	0	0	109	N454 V455	M413-N454 HydrophobicContact CE-CB 4.07Å; M413-N454 HydrophobicContact CG-CB 4.34Å; M413-N454 HydrophobicContact SD-CB 3.89Å; M413-V455 WeakPolarHBondContact CA-O 3.22Å; M413-V455 WeakPolarHBondContact CG-O 3.09Å
414	K	98.1	Very high	97.1	Very high	38 Å²	38	41.1 Å²	41.1	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.7	-178	-60.3	-69.9	178.8	173.8	0	110.3	V382 D409 V455	V382-K414 HydrophobicContact CG2-CB 3.47Å; V382-K414 VanDerWaalsContact CG2-CB 3.47Å; V382-K414 HydrophobicContact CG2-CG 3.94Å; D409-K414 WeakPolarHBondContact OD2-CE 3.21Å; D409-K414 IonicContact OD2-NZ 2.74Å; D409-K414 PolarHBondContact OD2-NZ 2.78Å; K414-V455 PolarHBondContact N-O 2.86Å; K414-V455 PolarHBondContact O-N 2.95Å
415	F	98.1	Very high	96.8	Very high	99 Å²	99	41.1 Å²	41.1	43%	0.434	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.8	167.7	-179.3	-110	0	0	0	109.3	N380 E417 V453 N454	N380-F415 PolarHBondContact ND2-O 2.8Å; F415-E417 HydrophobicContact CD1-CG 4.24Å; F415-E417 HydrophobicContact CE1-CG 3.34Å; F415-E417 HydrophobicContact CE2-CG 4.49Å; F415-E417 HydrophobicContact CZ-CG 3.49Å; F415-E417 VanDerWaalsContact CZ-CG 3.49Å; F415-E417 WeakPolarHBondContact CZ-OE1 3.38Å; F415-V453 WeakPolarHBondContact CA-O 3.17Å; F415-N454 WeakPolarHBondContact CD2-OD1 3.37Å
416	V	98.3	Very high	96.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.1	-179.3	176	0	0	0	0	109.1	V379 V382 I384 F405 S452 V453 V455	V379-V416 HydrophobicContact CB-CG1 3.94Å; V379-V416 HydrophobicContact CG1-CG1 3.97Å; V382-V416 HydrophobicContact CB-CG2 3.6Å; V382-V416 HydrophobicContact CG1-CG2 4.01Å; V382-V416 HydrophobicContact CG2-CG2 3.5Å; V382-V416 VanDerWaalsContact CG2-CG2 3.5Å; I384-V416 HydrophobicContact CD1-CG1 4.12Å; F405-V416 HydrophobicContact CD1-CG1 4.06Å; F405-V416 HydrophobicContact CE1-CG1 4.05Å; V416-S452 WeakPolarHBondContact O-CA 3.39Å; V416-V453 HydrophobicContact CB-CG2 4.05Å; V416-V453 PolarHBondContact N-O 2.81Å; V416-V453 PolarHBondContact O-N 2.89Å; V416-V455 HydrophobicContact CG2-CG2 4.44Å
417	E	98.2	Very high	96	Very high	101 Å²	101	47 Å²	47	47%	0.472	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.9	167.8	-60.2	-163.2	126.5	0	0	110.2	F415 I450 I451 S452	F415-E417 HydrophobicContact CD1-CG 4.24Å; F415-E417 HydrophobicContact CE1-CG 3.34Å; F415-E417 HydrophobicContact CE2-CG 4.49Å; F415-E417 HydrophobicContact CZ-CG 3.49Å; F415-E417 VanDerWaalsContact CZ-CG 3.49Å; F415-E417 WeakPolarHBondContact CZ-OE1 3.38Å; E417-I450 HydrophobicContact CB-CG2 4Å; E417-I450 HydrophobicContact CG-CG2 4.3Å; E417-I451 WeakPolarHBondContact CA-O 3.5Å; E417-S452 PolarHBondContact OE1-OG 2.93Å
418	T	97.9	Very high	95.7	Very high	20 Å²	20	50 Å²	50	12%	0.123	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	-177.1	175.3	-165.8	0	0	0	0	110.2	I384 F405 L423 I450 I451	I384-T418 HydrophobicContact CD1-CG2 4.34Å; F405-T418 HydrophobicContact CE1-CG2 3.85Å; F405-T418 HydrophobicContact CZ-CG2 4.06Å; T418-L423 HydrophobicContact CG2-CD1 3.96Å; T418-L423 HydrophobicContact CG2-CD2 4.34Å; T418-L423 HydrophobicContact CG2-CG 4.19Å; T418-I450 CarbonylContact O-C 3.6Å; T418-I450 WeakPolarHBondContact O-CA 3.27Å; T418-I451 HydrophobicContact CG2-CB 4.49Å; T418-I451 PolarHBondContact N-O 3.45Å; T418-I451 PolarHBondContact O-N 3.02Å
419	T	97.9	Very high	95.5	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.184	30%	0.304	C	S	.	.			trans	-135.2	158.6	173.2	67	0	0	0	0	109.2	G421 G422 L423 S447 N448 I450	T419-G421 VanDerWaalsContact C-N 3.29Å; T419-G421 PolarHBondContact O-N 3.2Å; T419-G422 PolarHBondContact O-N 2.69Å; T419-G422 PolarHBondContact OG1-N 2.94Å; T419-L423 WeakPolarHBondContact O-CG 3.14Å; T419-L423 PolarHBondContact O-N 2.95Å; T419-L423 VanDerWaalsContact O-N 3.12Å; T419-S447 WeakPolarHBondContact CB-O 3.49Å; T419-S447 PolarHBondContact OG1-O 2.95Å; T419-N448 WeakPolarHBondContact CG2-O 3.13Å; T419-I450 HydrophobicContact CG2-CG1 4.34Å
420	L	97.8	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-42.9	176	-66.1	173.7	0	0	0	111.6	I403 G422 L423 G424 A425 F431 L433 I451 A465	I403-L420 HydrophobicContact CD1-CD2 3.47Å; I403-L420 VanDerWaalsContact CD1-CD2 3.47Å; L420-G422 PolarHBondContact O-N 3.4Å; L420-L423 PolarHBondContact O-N 2.97Å; L420-L423 VanDerWaalsContact O-N 3.14Å; L420-G424 PolarHBondContact O-N 3.13Å; L420-A425 HydrophobicContact CB-CB 4.18Å; L420-A425 HydrophobicContact CD2-CB 4.42Å; L420-A425 WeakPolarHBondContact O-CA 3.35Å; L420-A425 WeakPolarHBondContact O-CB 3.4Å; L420-A425 PolarHBondContact O-N 2.93Å; L420-F431 HydrophobicContact CD1-CB 3.92Å; L420-F431 HydrophobicContact CD1-CD1 4.44Å; L420-F431 HydrophobicContact CD1-CD2 3.29Å; L420-F431 HydrophobicContact CD1-CE2 3.79Å; L420-F431 HydrophobicContact CD1-CG 3.65Å; L420-L433 HydrophobicContact CD1-CD1 4.42Å; L420-I451 HydrophobicContact CD2-CD1 3.88Å; L420-I451 HydrophobicContact CG-CD1 3.97Å; L420-A465 HydrophobicContact CD1-CB 4.27Å; L420-A465 HydrophobicContact CD2-CB 3.99Å
421	G	96.5	Very high	95.6	Very high	10 Å²	10	41.9 Å²	41.9	10%	0.103	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-41	176	0	0	0	0	0	112.5	T419 L423 G424 H426 S447	T419-G421 VanDerWaalsContact C-N 3.29Å; T419-G421 PolarHBondContact O-N 3.2Å; G421-L423 PolarHBondContact O-N 3.47Å; G421-G424 PolarHBondContact O-N 2.88Å; G421-H426 PolarHBondContact O-CE1 3.11Å; G421-H426 PolarHBondContact O-NE2 2Å; G421-S447 WeakPolarHBondContact CA-O 3.12Å; G421-S447 PolarHBondContact N-O 3.23Å
422	G	96.6	Very high	95.7	Very high	59 Å²	59	41.6 Å²	41.6	61%	0.608	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.1	174.6	0	0	0	0	0	113.7	T419 L420 G424	T419-G422 PolarHBondContact O-N 2.69Å; T419-G422 PolarHBondContact OG1-N 2.94Å; L420-G422 PolarHBondContact O-N 3.4Å; G422-G424 VanDerWaalsContact C-N 3.33Å
423	L	97.1	Very high	95.8	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.9	173.3	-60.4	177.2	0	0	0	113.4	V376 A377 I384 I386 I403 T418 T419 L420 G421 A425	V376-L423 HydrophobicContact CG2-CB 4.33Å; V376-L423 HydrophobicContact CG2-CD2 4.19Å; A377-L423 HydrophobicContact CB-CD2 3.91Å; I384-L423 HydrophobicContact CB-CD2 4.16Å; I384-L423 HydrophobicContact CD1-CD2 3.94Å; I384-L423 HydrophobicContact CG2-CD1 3.87Å; I384-L423 HydrophobicContact CG2-CD2 3.73Å; I384-L423 HydrophobicContact CG2-CG 4.47Å; I386-L423 WeakPolarHBondContact CD1-O 3.44Å; I386-L423 HydrophobicContact CG2-CB 4.28Å; I386-L423 HydrophobicContact CG2-CD1 4.26Å; I403-L423 HydrophobicContact CG2-CD1 4.23Å; T418-L423 HydrophobicContact CG2-CD1 3.96Å; T418-L423 HydrophobicContact CG2-CD2 4.34Å; T418-L423 HydrophobicContact CG2-CG 4.19Å; T419-L423 WeakPolarHBondContact O-CG 3.14Å; T419-L423 PolarHBondContact O-N 2.95Å; T419-L423 VanDerWaalsContact O-N 3.12Å; L420-L423 PolarHBondContact O-N 2.97Å; L420-L423 VanDerWaalsContact O-N 3.14Å; G421-L423 PolarHBondContact O-N 3.47Å; L423-A425 VanDerWaalsContact C-N 3.32Å
424	G	94.4	Very high	95.9	Very high	44 Å²	44	39.3 Å²	39.3	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-0.8	-175.2	0	0	0	0	0	114.7	L420 G421 G422 H426	L420-G424 PolarHBondContact O-N 3.13Å; G421-G424 PolarHBondContact O-N 2.88Å; G422-G424 VanDerWaalsContact C-N 3.33Å; G424-H426 VanDerWaalsContact C-N 3.32Å; G424-H426 PolarHBondContact O-N 3.4Å; G424-H426 PolarHBondContact O-ND1 3.25Å; G424-H426 VanDerWaalsContact O-ND1 3.12Å
425	A	92.5	Very high	95.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.227	C	C	.	.			trans	-82	70.6	179.8	0	0	0	0	0	111.6	W401 L420 L423	W401-A425 HydrophobicContact CD2-CB 3.72Å; W401-A425 HydrophobicContact CE3-CB 4.42Å; W401-A425 HydrophobicContact CG-CB 3.8Å; W401-A425 HydrophobicContact CZ2-CB 4.13Å; L420-A425 HydrophobicContact CB-CB 4.18Å; L420-A425 HydrophobicContact CD2-CB 4.42Å; L420-A425 WeakPolarHBondContact O-CA 3.35Å; L420-A425 WeakPolarHBondContact O-CB 3.4Å; L420-A425 PolarHBondContact O-N 2.93Å; L423-A425 VanDerWaalsContact C-N 3.32Å
426	H	90.2	Very high	95.9	Very high	116 Å²	116	33.6 Å²	33.6	54%	0.537	21%	0.207	S	C	.	.			trans	-88.2	132.1	-177.1	-63.6	86.1	0	0	0	112.2	G421 G424	G421-H426 PolarHBondContact O-CE1 3.11Å; G421-H426 PolarHBondContact O-NE2 2Å; G424-H426 VanDerWaalsContact C-N 3.32Å; G424-H426 PolarHBondContact O-N 3.4Å; G424-H426 PolarHBondContact O-ND1 3.25Å; G424-H426 VanDerWaalsContact O-ND1 3.12Å
427	C	91.3	Very high	95.9	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.047	22%	0.216	C	C	.	.			trans	-154.5	145.6	160	-160.4	0	0	0	0	111.2	C398 F431 S447 V467	C398-C427 HydrophobicContact CB-CB 3.67Å; C398-C427 WeakPolarHBondContact CB-SG 3.35Å; C398-C427 WeakPolarHBondContact SG-CB 3.45Å; C398-C427 CovalentContact SG-SG 2Å; C398-C427 PolarHBondContact SG-SG 3.32Å; C427-F431 HydrophobicContact CB-CE1 4.33Å; C427-F431 HydrophobicContact CB-CE2 3.89Å; C427-F431 HydrophobicContact CB-CZ 3.38Å; C427-S447 PolarHBondContact N-OG 2.75Å; C427-S447 PolarHBondContact O-OG 2.99Å; C427-V467 HydrophobicContact CB-CG2 4.41Å
428	P	91	Very high	95.8	Very high	62 Å²	62	36.8 Å²	36.8	40%	0.403	22%	0.224	S	C	.	.	S	Bend	trans	-58.2	145.5	167.2	-25.1	37	0	0	0	111.5	Y396	Y396-P428 HydrophobicContact CD1-CG 4.03Å; Y396-P428 HydrophobicContact CD2-CB 3.77Å; Y396-P428 HydrophobicContact CD2-CG 3.57Å; Y396-P428 HydrophobicContact CE1-CG 4.01Å; Y396-P428 HydrophobicContact CE2-CB 3.52Å; Y396-P428 HydrophobicContact CE2-CG 3.6Å; Y396-P428 HydrophobicContact CG-CG 3.83Å
429	G	91.7	Very high	95.8	Very high	33 Å²	33	40.1 Å²	40.1	34%	0.34	24%	0.241	S	C	.	.	S	Bend	trans	89.1	-148.7	-179.6	0	0	0	0	0	113.5
430	T	94.9	Very high	95.8	Very high	30 Å²	30	44.2 Å²	44.2	18%	0.184	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.5	-174.3	51.4	0	0	0	0	112	S444 Y445 N446 E468	T430-S444 WeakPolarHBondContact CB-OG 3.37Å; T430-S444 PolarHBondContact OG1-OG 3.08Å; T430-Y445 CarbonylContact C-O 3.59Å; T430-Y445 WeakPolarHBondContact CA-O 3.46Å; T430-N446 HydrophobicContact CG2-CB 4.28Å; T430-E468 PolarHBondContact O-N 2.82Å; T430-E468 PolarHBondContact OG1-OE1 3.35Å
431	F	97	Very high	95.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.2	174.2	-62.1	-98.8	0	0	0	109.2	W401 L420 C427 L433 S444 Y445 A465 T466 V467	W401-F431 AromaticContact CD1-CE1 3.59Å; W401-F431 AromaticContact NE1-CE1 3.9Å; L420-F431 HydrophobicContact CD1-CB 3.92Å; L420-F431 HydrophobicContact CD1-CD1 4.44Å; L420-F431 HydrophobicContact CD1-CD2 3.29Å; L420-F431 HydrophobicContact CD1-CE2 3.79Å; L420-F431 HydrophobicContact CD1-CG 3.65Å; C427-F431 HydrophobicContact CB-CE1 4.33Å; C427-F431 HydrophobicContact CB-CE2 3.89Å; C427-F431 HydrophobicContact CB-CZ 3.38Å; F431-L433 HydrophobicContact CB-CD1 3.84Å; F431-L433 WeakPolarHBondContact O-CD1 3.19Å; F431-L433 PolarHBondContact O-N 3.29Å; F431-S444 CarbonylContact O-C 3.52Å; F431-S444 WeakPolarHBondContact O-CA 3.48Å; F431-Y445 PolarHBondContact N-O 2.94Å; F431-Y445 PolarHBondContact O-N 2.78Å; F431-A465 HydrophobicContact CB-CB 3.97Å; F431-A465 HydrophobicContact CD1-CB 4.05Å; F431-A465 HydrophobicContact CG-CB 4.23Å; F431-T466 CarbonylContact C-O 3.36Å; F431-T466 WeakPolarHBondContact CA-O 3.22Å; F431-V467 HydrophobicContact CD1-CB 3.76Å; F431-V467 HydrophobicContact CD1-CG2 4Å; F431-V467 HydrophobicContact CE1-CB 3.66Å; F431-V467 HydrophobicContact CE1-CG2 3.71Å; F431-V467 HydrophobicContact CZ-CG2 4.14Å
432	D	97	Very high	95.8	Very high	74 Å²	74	50 Å²	50	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.1	167.1	-70.8	-40.5	0	0	0	108.7	T466 E468	D432-T466 PolarHBondContact N-O 3.18Å; D432-T466 PolarHBondContact O-N 2.96Å; D432-E468 WeakPolarHBondContact OD2-CG 3.37Å
433	L	98.1	Very high	95.7	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135	178.1	-89.4	62.3	0	0	0	110.8	L420 F431 M442 G443 Y445 I451 L463 K464 A465	L420-L433 HydrophobicContact CD1-CD1 4.42Å; F431-L433 HydrophobicContact CB-CD1 3.84Å; F431-L433 WeakPolarHBondContact O-CD1 3.19Å; F431-L433 PolarHBondContact O-N 3.29Å; L433-M442 HydrophobicContact CB-CB 3.91Å; L433-M442 HydrophobicContact CB-SD 4.46Å; L433-M442 PolarHBondContact O-N 2.88Å; L433-G443 PolarHBondContact N-O 3.47Å; L433-Y445 HydrophobicContact CB-CD2 3.95Å; L433-Y445 HydrophobicContact CB-CE2 4.1Å; L433-Y445 HydrophobicContact CD1-CD2 3.8Å; L433-Y445 HydrophobicContact CD1-CG 3.93Å; L433-Y445 HydrophobicContact CD2-CD1 4.03Å; L433-Y445 HydrophobicContact CD2-CD2 3.7Å; L433-Y445 HydrophobicContact CD2-CE1 4.25Å; L433-Y445 HydrophobicContact CD2-CE2 3.94Å; L433-Y445 HydrophobicContact CD2-CG 3.78Å; L433-Y445 HydrophobicContact CG-CD2 4.02Å; L433-Y445 HydrophobicContact CG-CE2 4.46Å; L433-Y445 HydrophobicContact CG-CG 4.36Å; L433-I451 HydrophobicContact CD2-CD1 3.77Å; L433-I451 HydrophobicContact CD2-CG1 3.82Å; L433-L463 HydrophobicContact CD2-CD1 4.27Å; L433-K464 WeakPolarHBondContact CA-O 3.41Å; L433-A465 HydrophobicContact CD1-CB 3.71Å; L433-A465 HydrophobicContact CG-CB 4.21Å
434	W	98.4	Very high	95.7	Very high	91 Å²	91	51.4 Å²	51.4	35%	0.345	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.5	176.3	-161.3	-85	0	0	0	110.1	L436 D439 K440 P441 L463 K464	W434-L436 HydrophobicContact CB-CD2 4.31Å; W434-L436 HydrophobicContact CG-CD2 4.42Å; W434-D439 VanDerWaalsContact CZ2-OD1 3.25Å; W434-D439 WeakPolarHBondContact CZ2-OD1 3.36Å; W434-D439 PolarHBondContact NE1-OD1 2.95Å; W434-K440 WeakPolarHBondContact CA-O 3.35Å; W434-P441 HydrophobicContact CE3-CB 3.71Å; W434-P441 HydrophobicContact CE3-CG 4.41Å; W434-P441 HydrophobicContact CH2-CB 4.45Å; W434-P441 HydrophobicContact CH2-CG 4.29Å; W434-P441 HydrophobicContact CZ3-CB 3.63Å; W434-P441 HydrophobicContact CZ3-CG 3.92Å; W434-L463 CarbonylContact O-C 3.57Å; W434-L463 WeakPolarHBondContact O-CA 3.38Å; W434-K464 PolarHBondContact N-O 3.05Å; W434-K464 PolarHBondContact O-N 3.27Å
435	D	98.6	Very high	95.8	Very high	14 Å²	14	51 Å²	51	8%	0.075	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.6	169.5	-173.2	-49	0	0	0	109.4	F437 L438 D439 K440 L463	D435-F437 PolarHBondContact OD1-N 2.88Å; D435-L438 HydrophobicContact CB-CB 4.09Å; D435-L438 PolarHBondContact OD1-N 2.78Å; D435-L438 WeakPolarHBondContact OD2-CD1 3.28Å; D435-D439 VanDerWaalsContact O-CA 3.28Å; D435-D439 WeakPolarHBondContact O-CA 3.35Å; D435-D439 PolarHBondContact O-N 3.05Å; D435-K440 PolarHBondContact N-O 2.7Å; D435-K440 PolarHBondContact O-N 2.83Å; D435-L463 HydrophobicContact CB-CD2 3.98Å
436	L	98.6	Very high	96	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.2	-171.1	-54.2	-163.2	0	0	0	113.7	N358 H360 L361 M364 W434 V462 K464	N358-L436 PolarHBondContact ND2-O 2.87Å; N358-L436 PolarHBondContact OD1-O 2.87Å; H360-L436 HydrophobicContact CB-CB 3.88Å; H360-L436 HydrophobicContact CB-CD1 4.2Å; H360-L436 HydrophobicContact CB-CD2 3.89Å; H360-L436 HydrophobicContact CB-CG 4.19Å; L361-L436 HydrophobicContact CD2-CB 4.44Å; L361-L436 HydrophobicContact CD2-CD1 4.35Å; M364-L436 HydrophobicContact CB-CD1 4.46Å; M364-L436 HydrophobicContact SD-CD1 4.3Å; W434-L436 HydrophobicContact CB-CD2 4.31Å; W434-L436 HydrophobicContact CG-CD2 4.42Å; L436-V462 HydrophobicContact CB-CB 4.31Å; L436-V462 HydrophobicContact CB-CG1 4.22Å; L436-V462 HydrophobicContact CD1-CG1 3.83Å; L436-V462 HydrophobicContact CG-CG1 4.1Å; L436-V462 PolarHBondContact N-O 3.04Å; L436-K464 HydrophobicContact CD1-CB 4.36Å; L436-K464 HydrophobicContact CD2-CB 3.72Å; L436-K464 HydrophobicContact CG-CB 4.4Å
437	F	98.1	Very high	96.2	Very high	45 Å²	45	49.6 Å²	49.6	20%	0.197	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-38.7	175.5	-85.7	-62.3	0	0	0	112.2	R326 A330 I355 L361 D435 V460 V462	R326-F437 HydrophobicContact CB-CE1 3.98Å; R326-F437 HydrophobicContact CB-CE2 3.87Å; R326-F437 HydrophobicContact CB-CZ 3.47Å; R326-F437 VanDerWaalsContact CB-CZ 3.47Å; R326-F437 HydrophobicContact CG-CD1 3.99Å; R326-F437 HydrophobicContact CG-CE1 3.45Å; R326-F437 VanDerWaalsContact CG-CE1 3.45Å; R326-F437 HydrophobicContact CG-CE2 4.15Å; R326-F437 HydrophobicContact CG-CZ 3.53Å; A330-F437 HydrophobicContact CB-CE2 4.32Å; I355-F437 HydrophobicContact CG1-CE1 4.48Å; I355-F437 HydrophobicContact CG2-CE1 4.39Å; L361-F437 HydrophobicContact CD1-CD1 4.06Å; L361-F437 HydrophobicContact CD1-CE1 3.33Å; L361-F437 HydrophobicContact CD1-CE2 3.87Å; L361-F437 HydrophobicContact CD1-CZ 3.23Å; L361-F437 HydrophobicContact CG-CZ 4.49Å; D435-F437 PolarHBondContact OD1-N 2.88Å; F437-V460 HydrophobicContact CD2-CG2 4.23Å; F437-V460 HydrophobicContact CE2-CG2 3.55Å; F437-V460 HydrophobicContact CZ-CG2 4.39Å; F437-V462 HydrophobicContact CD2-CB 4.21Å; F437-V462 HydrophobicContact CD2-CG2 3.8Å; F437-V462 HydrophobicContact CE2-CB 4.37Å; F437-V462 HydrophobicContact CE2-CG2 3.56Å
438	L	96.9	Very high	96.5	Very high	123 Å²	123	55.3 Å²	55.3	64%	0.644	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.9	175.5	-62.1	-178.9	0	0	0	112.9	D435 K440	D435-L438 HydrophobicContact CB-CB 4.09Å; D435-L438 PolarHBondContact OD1-N 2.78Å; D435-L438 WeakPolarHBondContact OD2-CD1 3.28Å; L438-K440 HydrophobicContact CB-CB 4.2Å; L438-K440 PolarHBondContact O-N 2.89Å
439	D	96.7	Very high	96.8	Very high	90 Å²	90	54.5 Å²	54.5	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	56.3	-174	-168.8	22.7	0	0	0	112.4	H360 W434 D435	H360-D439 IonicContact CD2-OD1 2.77Å; H360-D439 IonicContact CE1-OD1 2.78Å; H360-D439 IonicContact NE2-OD1 3.08Å; H360-D439 PolarHBondContact NE2-OD1 2.91Å; H360-D439 IonicContact NE2-OD2 3.19Å; W434-D439 VanDerWaalsContact CZ2-OD1 3.25Å; W434-D439 WeakPolarHBondContact CZ2-OD1 3.36Å; W434-D439 PolarHBondContact NE1-OD1 2.95Å; D435-D439 VanDerWaalsContact O-CA 3.28Å; D435-D439 WeakPolarHBondContact O-CA 3.35Å; D435-D439 PolarHBondContact O-N 3.05Å
440	K	97.4	Very high	97.1	Very high	116 Å²	116	57.5 Å²	57.5	50%	0.504	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.4	-169.5	156.1	178	167.4	-177.9	0	111.8	W434 D435 L438	W434-K440 WeakPolarHBondContact CA-O 3.35Å; D435-K440 PolarHBondContact N-O 2.7Å; D435-K440 PolarHBondContact O-N 2.83Å; L438-K440 HydrophobicContact CB-CB 4.2Å; L438-K440 PolarHBondContact O-N 2.89Å
441	P	97.2	Very high	97.2	Very high	78 Å²	78	56 Å²	56	51%	0.506	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.6	166.2	28.5	-31.7	0	0	0	110.9	W434	W434-P441 HydrophobicContact CE3-CB 3.71Å; W434-P441 HydrophobicContact CE3-CG 4.41Å; W434-P441 HydrophobicContact CH2-CB 4.45Å; W434-P441 HydrophobicContact CH2-CG 4.29Å; W434-P441 HydrophobicContact CZ3-CB 3.63Å; W434-P441 HydrophobicContact CZ3-CG 3.92Å
442	M	97.2	Very high	97.3	Very high	54 Å²	54	58.4 Å²	58.4	27%	0.266	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-22.3	172.1	-65.9	-177.6	74	0	0	112.6	L433 Y445 L463	L433-M442 HydrophobicContact CB-CB 3.91Å; L433-M442 HydrophobicContact CB-SD 4.46Å; L433-M442 PolarHBondContact O-N 2.88Å; M442-Y445 HydrophobicContact CB-CE2 4.14Å; M442-L463 HydrophobicContact CE-CD1 4.5Å; M442-L463 HydrophobicContact SD-CD1 3.85Å; M442-L463 HydrophobicContact SD-CD2 3.43Å; M442-L463 WeakPolarHBondContact SD-CD2 3.29Å; M442-L463 HydrophobicContact SD-CG 4.28Å
443	G	96	Very high	97.3	Very high	34 Å²	34	55.3 Å²	55.3	35%	0.351	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120.8	-167.8	-179.1	0	0	0	0	0	112.9	L433 Y445	L433-G443 PolarHBondContact N-O 3.47Å; G443-Y445 WeakPolarHBondContact O-CD2 3.49Å
444	S	96.6	Very high	97.3	Very high	62 Å²	62	59.4 Å²	59.4	43%	0.434	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.1	-177.2	-171.4	0	0	0	0	110.5	T430 F431 E468	T430-S444 WeakPolarHBondContact CB-OG 3.37Å; T430-S444 PolarHBondContact OG1-OG 3.08Å; F431-S444 CarbonylContact O-C 3.52Å; F431-S444 WeakPolarHBondContact O-CA 3.48Å; S444-E468 PolarHBondContact OG-OE1 2.98Å
445	Y	97.3	Very high	97.3	Very high	37 Å²	37	55.1 Å²	55.1	15%	0.145	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.3	-174.8	-70.2	-113.9	0	0	0	109.5	T430 F431 L433 M442 G443 T449 I450 I451	T430-Y445 CarbonylContact C-O 3.59Å; T430-Y445 WeakPolarHBondContact CA-O 3.46Å; F431-Y445 PolarHBondContact N-O 2.94Å; F431-Y445 PolarHBondContact O-N 2.78Å; L433-Y445 HydrophobicContact CB-CD2 3.95Å; L433-Y445 HydrophobicContact CB-CE2 4.1Å; L433-Y445 HydrophobicContact CD1-CD2 3.8Å; L433-Y445 HydrophobicContact CD1-CG 3.93Å; L433-Y445 HydrophobicContact CD2-CD1 4.03Å; L433-Y445 HydrophobicContact CD2-CD2 3.7Å; L433-Y445 HydrophobicContact CD2-CE1 4.25Å; L433-Y445 HydrophobicContact CD2-CE2 3.94Å; L433-Y445 HydrophobicContact CD2-CG 3.78Å; L433-Y445 HydrophobicContact CG-CD2 4.02Å; L433-Y445 HydrophobicContact CG-CE2 4.46Å; L433-Y445 HydrophobicContact CG-CG 4.36Å; M442-Y445 HydrophobicContact CB-CE2 4.14Å; G443-Y445 WeakPolarHBondContact O-CD2 3.49Å; Y445-T449 HydrophobicContact CD1-CG2 3.34Å; Y445-T449 HydrophobicContact CE1-CG2 3.81Å; Y445-T449 HydrophobicContact CG-CG2 4Å; Y445-I450 WeakPolarHBondContact CE1-O 3.43Å; Y445-I451 HydrophobicContact CD1-CG1 3.77Å; Y445-I451 HydrophobicContact CE1-CG1 3.92Å
446	N	95.3	Very high	97.3	Very high	70 Å²	70	56 Å²	56	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	178.5	165.8	68	50.3	0	0	0	110.3	T430 N448 T449	T430-N446 HydrophobicContact CG2-CB 4.28Å; N446-N448 PolarHBondContact O-N 3.06Å; N446-N448 WeakPolarHBondContact OD1-CA 3.45Å; N446-N448 PolarHBondContact OD1-N 2.95Å; N446-T449 VanDerWaalsContact CG-OG1 3.27Å; N446-T449 PolarHBondContact N-OG1 3.39Å; N446-T449 PolarHBondContact ND2-OG1 2.91Å; N446-T449 PolarHBondContact O-N 3.49Å; N446-T449 PolarHBondContact OD1-N 3.34Å; N446-T449 PolarHBondContact OD1-OG1 2.84Å
447	S	95.1	Very high	97.3	Very high	16 Å²	16	57.4 Å²	57.4	11%	0.112	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.5	-178.9	-65.2	0	0	0	0	114.1	T419 G421 C427	T419-S447 WeakPolarHBondContact CB-O 3.49Å; T419-S447 PolarHBondContact OG1-O 2.95Å; G421-S447 WeakPolarHBondContact CA-O 3.12Å; G421-S447 PolarHBondContact N-O 3.23Å; C427-S447 PolarHBondContact N-OG 2.75Å; C427-S447 PolarHBondContact O-OG 2.99Å
448	N	96.4	Very high	97.3	Very high	126 Å²	126	55.8 Å²	55.8	67%	0.674	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-4.2	-176.5	-60.2	-37.4	0	0	0	113.7	T419 N446 I450	T419-N448 WeakPolarHBondContact CG2-O 3.13Å; N446-N448 PolarHBondContact O-N 3.06Å; N446-N448 WeakPolarHBondContact OD1-CA 3.45Å; N446-N448 PolarHBondContact OD1-N 2.95Å; N448-I450 PolarHBondContact O-N 3Å
449	T	97.6	Very high	97.4	Very high	46 Å²	46	49.9 Å²	49.9	28%	0.282	29%	0.285	S	S	.	.	S	Bend	trans	-68.6	130	177.1	-53.5	0	0	0	0	109.7	Y445 N446 I451	Y445-T449 HydrophobicContact CD1-CG2 3.34Å; Y445-T449 HydrophobicContact CE1-CG2 3.81Å; Y445-T449 HydrophobicContact CG-CG2 4Å; N446-T449 VanDerWaalsContact CG-OG1 3.27Å; N446-T449 PolarHBondContact N-OG1 3.39Å; N446-T449 PolarHBondContact ND2-OG1 2.91Å; N446-T449 PolarHBondContact O-N 3.49Å; N446-T449 PolarHBondContact OD1-N 3.34Å; N446-T449 PolarHBondContact OD1-OG1 2.84Å; T449-I451 PolarHBondContact O-N 3.2Å
450	I	98.2	Very high	97.5	Very high	95 Å²	95	46.1 Å²	46.1	49%	0.487	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-68.8	124.4	-179.8	-60.1	174.2	0	0	0	109.9	E417 T418 T419 Y445 N448	E417-I450 HydrophobicContact CB-CG2 4Å; E417-I450 HydrophobicContact CG-CG2 4.3Å; T418-I450 CarbonylContact O-C 3.6Å; T418-I450 WeakPolarHBondContact O-CA 3.27Å; T419-I450 HydrophobicContact CG2-CG1 4.34Å; Y445-I450 WeakPolarHBondContact CE1-O 3.43Å; N448-I450 PolarHBondContact O-N 3Å
451	I	98.3	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.9	167.9	-58.5	166.6	0	0	0	107	F405 E417 T418 L420 L433 Y445 T449 V453 L463	F405-I451 HydrophobicContact CZ-CG2 4.18Å; E417-I451 WeakPolarHBondContact CA-O 3.5Å; T418-I451 HydrophobicContact CG2-CB 4.49Å; T418-I451 PolarHBondContact N-O 3.45Å; T418-I451 PolarHBondContact O-N 3.02Å; L420-I451 HydrophobicContact CD2-CD1 3.88Å; L420-I451 HydrophobicContact CG-CD1 3.97Å; L433-I451 HydrophobicContact CD2-CD1 3.77Å; L433-I451 HydrophobicContact CD2-CG1 3.82Å; Y445-I451 HydrophobicContact CD1-CG1 3.77Å; Y445-I451 HydrophobicContact CE1-CG1 3.92Å; T449-I451 PolarHBondContact O-N 3.2Å; I451-V453 HydrophobicContact CG2-CG1 4.15Å; I451-L463 HydrophobicContact CG2-CD1 3.93Å
452	S	97.9	Very high	97.6	Very high	49 Å²	49	37.6 Å²	37.6	34%	0.343	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.4	177.7	-48.1	0	0	0	0	109.8	V416 E417	V416-S452 WeakPolarHBondContact O-CA 3.39Å; E417-S452 PolarHBondContact OE1-OG 2.93Å
453	V	98.1	Very high	97.7	Very high	9 Å²	9	35 Å²	35	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.6	-178.5	-64.1	0	0	0	0	111.8	F405 F415 V416 I451 V455 V461 L463	F405-V453 HydrophobicContact CB-CG2 4.42Å; F405-V453 HydrophobicContact CD1-CG2 3.7Å; F405-V453 HydrophobicContact CD2-CG2 4.17Å; F405-V453 HydrophobicContact CE1-CG2 3.9Å; F405-V453 HydrophobicContact CE2-CG2 4.37Å; F405-V453 HydrophobicContact CG-CG2 3.85Å; F405-V453 HydrophobicContact CZ-CG2 4.24Å; F415-V453 WeakPolarHBondContact CA-O 3.17Å; V416-V453 HydrophobicContact CB-CG2 4.05Å; V416-V453 PolarHBondContact N-O 2.81Å; V416-V453 PolarHBondContact O-N 2.89Å; I451-V453 HydrophobicContact CG2-CG1 4.15Å; V453-V455 HydrophobicContact CG2-CG2 3.86Å; V453-V461 HydrophobicContact CB-CB 4.48Å; V453-V461 HydrophobicContact CB-CG1 4.31Å; V453-V461 HydrophobicContact CB-CG2 4.36Å; V453-V461 HydrophobicContact CG1-CG1 3.95Å; V453-L463 HydrophobicContact CG1-CD1 4.44Å
454	N	98.1	Very high	97.8	Very high	89 Å²	89	35.9 Å²	35.9	48%	0.476	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.6	169.2	-76.1	-53.6	0	0	0	108.7	M413 F415	M413-N454 HydrophobicContact CE-CB 4.07Å; M413-N454 HydrophobicContact CG-CB 4.34Å; M413-N454 HydrophobicContact SD-CB 3.89Å; F415-N454 WeakPolarHBondContact CD2-OD1 3.37Å
455	V	98.6	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.7	-173.6	-165.3	0	0	0	0	109.8	V382 F405 N407 M413 K414 V416 V453 V461	V382-V455 HydrophobicContact CG1-CG2 4.13Å; F405-V455 HydrophobicContact CB-CG1 4.5Å; F405-V455 HydrophobicContact CB-CG2 3.79Å; F405-V455 WeakPolarHBondContact O-CG1 3.47Å; N407-V455 HydrophobicContact CB-CB 3.93Å; N407-V455 HydrophobicContact CB-CG1 3.48Å; N407-V455 VanDerWaalsContact CB-CG1 3.48Å; N407-V455 PolarHBondContact ND2-O 2.83Å; M413-V455 WeakPolarHBondContact CA-O 3.22Å; M413-V455 WeakPolarHBondContact CG-O 3.09Å; K414-V455 PolarHBondContact N-O 2.86Å; K414-V455 PolarHBondContact O-N 2.95Å; V416-V455 HydrophobicContact CG2-CG2 4.44Å; V453-V455 HydrophobicContact CG2-CG2 3.86Å; V455-V461 HydrophobicContact CG2-CG2 4.22Å
456	P	98.1	Very high	97.9	Very high	32 Å²	32	33 Å²	33	21%	0.208	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-63.9	154.1	-176.9	25.4	-32.8	0	0	0	111.9	N407 T458 G459	N407-P456 WeakPolarHBondContact CB-O 3.42Å; N407-P456 PolarHBondContact ND2-O 2.99Å; P456-T458 PolarHBondContact O-N 3.38Å; P456-G459 PolarHBondContact O-N 2.89Å
457	P	98.1	Very high	97.9	Very high	35 Å²	35	29.9 Å²	29.9	23%	0.227	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	137.1	178.1	26	-34.5	0	0	0	111.2	D409 G459	D409-P457 CarbonylContact O-C 3.5Å; D409-P457 VanDerWaalsContact O-CA 3.22Å; D409-P457 WeakPolarHBondContact O-CA 3.4Å; D409-P457 VanDerWaalsContact O-CB 3.32Å; D409-P457 WeakPolarHBondContact O-CB 3.16Å; P457-G459 PolarHBondContact O-N 3.06Å
458	T	98	Very high	97.5	Very high	10 Å²	10	30.4 Å²	30.4	6%	0.061	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	10.5	-173.3	66.1	0	0	0	0	115.5	Q324 A327 N407 D409 V410 P456	Q324-T458 HydrophobicContact CG-CG2 4.48Å; Q324-T458 WeakPolarHBondContact CG-OG1 3.33Å; A327-T458 WeakPolarHBondContact CB-O 3.34Å; N407-T458 CarbonylContact O-C 3.38Å; N407-T458 WeakPolarHBondContact O-CA 3.34Å; N407-T458 PolarHBondContact O-N 3.47Å; D409-T458 PolarHBondContact O-N 3.13Å; V410-T458 HydrophobicContact CB-CG2 4.37Å; V410-T458 HydrophobicContact CG1-CG2 4.15Å; P456-T458 PolarHBondContact O-N 3.38Å
459	G	98.3	Very high	96.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.			trans	-116.1	-168.9	-173	0	0	0	0	0	112.5	F406 N407 P456 P457	F406-G459 WeakPolarHBondContact CD2-O 3.38Å; N407-G459 PolarHBondContact N-O 3.24Å; P456-G459 PolarHBondContact O-N 2.89Å; P457-G459 PolarHBondContact O-N 3.06Å
460	V	98.9	Very high	95	Very high	10 Å²	10	33 Å²	33	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.8	-172.9	-71.2	0	0	0	0	112.2	R326 A327 A330 V404 F405 F406 F437 V462	R326-V460 HydrophobicContact CB-CG2 3.94Å; A327-V460 HydrophobicContact CB-CG1 3.88Å; A330-V460 HydrophobicContact CB-CB 4.38Å; A330-V460 HydrophobicContact CB-CG1 4.26Å; A330-V460 HydrophobicContact CB-CG2 3.88Å; V404-V460 HydrophobicContact CG1-CB 4.26Å; V404-V460 HydrophobicContact CG1-CG1 3.8Å; F405-V460 CarbonylContact O-C 3.35Å; F405-V460 WeakPolarHBondContact O-CA 3.42Å; F405-V460 WeakPolarHBondContact O-CB 3.37Å; F406-V460 HydrophobicContact CB-CG1 4.03Å; F406-V460 HydrophobicContact CD2-CG1 3.79Å; F406-V460 HydrophobicContact CG-CG1 4.31Å; F437-V460 HydrophobicContact CD2-CG2 4.23Å; F437-V460 HydrophobicContact CE2-CG2 3.55Å; F437-V460 HydrophobicContact CZ-CG2 4.39Å; V460-V462 HydrophobicContact CB-CG2 4.2Å; V460-V462 HydrophobicContact CG2-CG2 4Å
461	V	98.8	Very high	92.6	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.5	154.2	174.2	0	0	0	0	106.6	F405 V453 V455 L463	F405-V461 HydrophobicContact CB-CB 4.32Å; F405-V461 HydrophobicContact CD2-CB 4.32Å; F405-V461 HydrophobicContact CD2-CG1 4.42Å; F405-V461 PolarHBondContact N-O 2.86Å; F405-V461 PolarHBondContact O-N 2.8Å; V453-V461 HydrophobicContact CB-CB 4.48Å; V453-V461 HydrophobicContact CB-CG1 4.31Å; V453-V461 HydrophobicContact CB-CG2 4.36Å; V453-V461 HydrophobicContact CG1-CG1 3.95Å; V455-V461 HydrophobicContact CG2-CG2 4.22Å; V461-L463 HydrophobicContact CG1-CD2 3.76Å; V461-L463 HydrophobicContact CG1-CG 4.17Å
462	V	98.9	Very high	90.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.8	-177.8	-172.5	0	0	0	0	109.2	A330 L361 M364 I403 V404 L436 F437 V460	A330-V462 HydrophobicContact CB-CG2 3.51Å; L361-V462 HydrophobicContact CD2-CB 4.23Å; L361-V462 HydrophobicContact CD2-CG1 3.76Å; L361-V462 HydrophobicContact CD2-CG2 4.25Å; M364-V462 HydrophobicContact CE-CG1 3.92Å; M364-V462 HydrophobicContact SD-CG1 4.12Å; I403-V462 CarbonylContact O-C 3.43Å; I403-V462 WeakPolarHBondContact O-CA 3.47Å; V404-V462 HydrophobicContact CG1-CG2 4.38Å; V404-V462 HydrophobicContact CG2-CG1 3.99Å; V404-V462 HydrophobicContact CG2-CG2 4.13Å; L436-V462 HydrophobicContact CB-CB 4.31Å; L436-V462 HydrophobicContact CB-CG1 4.22Å; L436-V462 HydrophobicContact CD1-CG1 3.83Å; L436-V462 HydrophobicContact CG-CG1 4.1Å; L436-V462 PolarHBondContact N-O 3.04Å; F437-V462 HydrophobicContact CD2-CB 4.21Å; F437-V462 HydrophobicContact CD2-CG2 3.8Å; F437-V462 HydrophobicContact CE2-CB 4.37Å; F437-V462 HydrophobicContact CE2-CG2 3.56Å; V460-V462 HydrophobicContact CB-CG2 4.2Å; V460-V462 HydrophobicContact CG2-CG2 4Å
463	L	98.8	Very high	87.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.1	-178.5	-50.3	-176.9	0	0	0	110.7	I403 F405 L433 W434 D435 M442 I451 V453 V461	I403-L463 HydrophobicContact CB-CB 4.34Å; I403-L463 PolarHBondContact N-O 3.02Å; I403-L463 PolarHBondContact O-N 3.15Å; F405-L463 HydrophobicContact CE2-CD1 3.78Å; F405-L463 HydrophobicContact CE2-CG 4.14Å; L433-L463 HydrophobicContact CD2-CD1 4.27Å; W434-L463 CarbonylContact O-C 3.57Å; W434-L463 WeakPolarHBondContact O-CA 3.38Å; D435-L463 HydrophobicContact CB-CD2 3.98Å; M442-L463 HydrophobicContact CE-CD1 4.5Å; M442-L463 HydrophobicContact SD-CD1 3.85Å; M442-L463 HydrophobicContact SD-CD2 3.43Å; M442-L463 WeakPolarHBondContact SD-CD2 3.29Å; M442-L463 HydrophobicContact SD-CG 4.28Å; I451-L463 HydrophobicContact CG2-CD1 3.93Å; V453-L463 HydrophobicContact CG1-CD1 4.44Å; V461-L463 HydrophobicContact CG1-CD2 3.76Å; V461-L463 HydrophobicContact CG1-CG 4.17Å
464	K	98.6	Very high	84.2	Confident	52 Å²	52	56.7 Å²	56.7	23%	0.226	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.3	159	-177.3	179.3	-179.2	175.7	0	108.8	M389 L390 W401 L433 W434 L436 T466	M389-K464 HydrophobicContact CE-CD 4.33Å; L390-K464 PolarHBondContact O-NZ 3.31Å; W401-K464 CarbonylContact O-C 3.54Å; W401-K464 WeakPolarHBondContact O-CA 3.26Å; L433-K464 WeakPolarHBondContact CA-O 3.41Å; W434-K464 PolarHBondContact N-O 3.05Å; W434-K464 PolarHBondContact O-N 3.27Å; L436-K464 HydrophobicContact CD1-CB 4.36Å; L436-K464 HydrophobicContact CD2-CB 3.72Å; L436-K464 HydrophobicContact CG-CB 4.4Å; K464-T466 WeakPolarHBondContact CE-OG1 3.35Å
465	A	98.3	Very high	81.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	97.9	169.2	0	0	0	0	0	108.5	S400 W401 I403 L420 F431 L433	S400-A465 CarbonylContact C-O 3.59Å; S400-A465 WeakPolarHBondContact CA-O 3.25Å; S400-A465 WeakPolarHBondContact CB-O 3.32Å; W401-A465 HydrophobicContact CB-CB 4.33Å; W401-A465 PolarHBondContact N-O 3.47Å; W401-A465 PolarHBondContact O-N 3.02Å; I403-A465 HydrophobicContact CD1-CB 4.3Å; L420-A465 HydrophobicContact CD1-CB 4.27Å; L420-A465 HydrophobicContact CD2-CB 3.99Å; F431-A465 HydrophobicContact CB-CB 3.97Å; F431-A465 HydrophobicContact CD1-CB 4.05Å; F431-A465 HydrophobicContact CG-CB 4.23Å; L433-A465 HydrophobicContact CD1-CB 3.71Å; L433-A465 HydrophobicContact CG-CB 4.21Å
466	T	97.6	Very high	78.4	Confident	39 Å²	39	66.1 Å²	66.1	24%	0.239	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122	-179.1	-57.5	0	0	0	0	109.4	P391 F431 D432 K464 E468	P391-T466 HydrophobicContact CG-CG2 4.11Å; F431-T466 CarbonylContact C-O 3.36Å; F431-T466 WeakPolarHBondContact CA-O 3.22Å; D432-T466 PolarHBondContact N-O 3.18Å; D432-T466 PolarHBondContact O-N 2.96Å; K464-T466 WeakPolarHBondContact CE-OG1 3.35Å; T466-E468 PolarHBondContact O-N 2.88Å
467	V	95.1	Very high	75.3	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.7	-178.3	74.9	0	0	0	0	111.3	H393 S400 C427 F431	H393-V467 HydrophobicContact CB-CB 4.33Å; H393-V467 HydrophobicContact CB-CG1 3.7Å; H393-V467 HydrophobicContact CB-CG2 3.76Å; S400-V467 PolarHBondContact OG-N 3.26Å; C427-V467 HydrophobicContact CB-CG2 4.41Å; F431-V467 HydrophobicContact CD1-CB 3.76Å; F431-V467 HydrophobicContact CD1-CG2 4Å; F431-V467 HydrophobicContact CE1-CB 3.66Å; F431-V467 HydrophobicContact CE1-CG2 3.71Å; F431-V467 HydrophobicContact CZ-CG2 4.14Å
468	E	87.9	Confident	72.1	Confident	27 Å²	27	76.1 Å²	76.1	13%	0.126	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-78.1	124.9	178.3	-72.9	-170.6	-116.6	0	0	110.8	H393 T430 D432 S444 T466 K470	H393-E468 PolarHBondContact CD2-O 2.97Å; H393-E468 VanDerWaalsContact CD2-O 3.25Å; T430-E468 PolarHBondContact O-N 2.82Å; T430-E468 PolarHBondContact OG1-OE1 3.35Å; D432-E468 WeakPolarHBondContact OD2-CG 3.37Å; S444-E468 PolarHBondContact OG-OE1 2.98Å; T466-E468 PolarHBondContact O-N 2.88Å; E468-K470 VanDerWaalsContact C-N 3.27Å; E468-K470 PolarHBondContact O-N 3.43Å; E468-K470 IonicContact OE2-NZ 2.75Å; E468-K470 PolarHBondContact OE2-NZ 2.86Å
469	N	76.3	Confident	68.8	Low	79 Å²	79	81.4 Å²	81.4	42%	0.422	42%	0.421	S	S	.	.			trans	-87.2	15.1	176.1	-85.7	-48.3	0	0	0	113.7	H393 K394 M471	H393-N469 WeakPolarHBondContact CA-OD1 3.38Å; K394-N469 PolarHBondContact N-OD1 3.44Å; N469-M471 PolarHBondContact O-N 3.19Å; N469-M471 VanDerWaalsContact O-N 3.13Å
470	K	64.1	Low	65.5	Low	148 Å²	148	88.5 Å²	88.5	64%	0.643	46%	0.459	S	S	*	.			trans	-70.6	113.4	178.3	-68.2	178.5	-165.7	137.1	0	108.5	E468 F472	E468-K470 VanDerWaalsContact C-N 3.27Å; E468-K470 PolarHBondContact O-N 3.43Å; E468-K470 IonicContact OE2-NZ 2.75Å; E468-K470 PolarHBondContact OE2-NZ 2.86Å; K470-F472 PolarHBondContact O-N 3.02Å
471	M	47.6	Very low	62.1	Low	169 Å²	169	97 Å²	97	83%	0.833	50%	0.498	S	S	*	.			trans	-52.6	108.6	165.9	-80.7	-105.6	-74.9	0	0	108.1	N469 R473	N469-M471 PolarHBondContact O-N 3.19Å; N469-M471 VanDerWaalsContact O-N 3.13Å; M471-R473 VanDerWaalsContact C-N 3.31Å; M471-R473 PolarHBondContact O-N 2.73Å
472	F	45.3	Very low	58.9	Low	170 Å²	170	102.7 Å²	102.7	75%	0.746	53%	0.533	S	S	*	.			trans	-58.8	102.7	160.7	-98.1	-91.5	0	0	0	106	K470 S474	K470-F472 PolarHBondContact O-N 3.02Å; F472-S474 VanDerWaalsContact C-N 3.33Å; F472-S474 PolarHBondContact O-N 2.74Å
473	R	37.1	Very low	55.8	Low	230 Å²	230	112 Å²	112	87%	0.868	58%	0.576	S	S	*	*			trans	-60.8	107.6	160	-82.8	-174.4	173.9	177.7	-2.4	104.8	M471 V475	M471-R473 VanDerWaalsContact C-N 3.31Å; M471-R473 PolarHBondContact O-N 2.73Å; R473-V475 PolarHBondContact O-N 3.32Å
474	S	36.7	Very low	52.9	Low	80 Å²	80	120.3 Å²	120.3	56%	0.559	62%	0.615	S	S	*	*			trans	-45.2	113.7	165	172.5	0	0	0	0	107.5	F472 N476	F472-S474 VanDerWaalsContact C-N 3.33Å; F472-S474 PolarHBondContact O-N 2.74Å; S474-N476 PolarHBondContact O-N 3.35Å; S474-N476 PolarHBondContact OG-N 2.86Å; S474-N476 PolarHBondContact OG-O 3.03Å; S474-N476 VanDerWaalsContact OG-O 3.07Å
475	V	41.8	Very low	50.3	Low	139 Å²	139	120.7 Å²	120.7	84%	0.842	62%	0.624	S	S	*	*	S	Bend	trans	-72.7	76.7	159.9	-178.6	0	0	0	0	104.6	R473	R473-V475 PolarHBondContact O-N 3.32Å
476	N	33.2	Very low	48	Very low	148 Å²	148	125.1 Å²	125.1	79%	0.791	65%	0.653	S	S	*	*			trans	160.9	70.7	169.4	-80.9	-17.9	0	0	0	107.2	S474	S474-N476 PolarHBondContact O-N 3.35Å; S474-N476 PolarHBondContact OG-N 2.86Å; S474-N476 PolarHBondContact OG-O 3.03Å; S474-N476 VanDerWaalsContact OG-O 3.07Å
477	A	32	Very low	46.1	Very low	91 Å²	91	126.7 Å²	126.7	75%	0.752	67%	0.666	S	S	*	*			trans	-148.4	59	160.6	0	0	0	0	0	107
478	E	30.4	Very low	44.2	Very low	186 Å²	186	134.3 Å²	134.3	87%	0.869	70%	0.698	S	S	*	*			trans	-73.7	136.9	154.6	-74	-176.8	156.7	0	0	107.7
479	V	30.2	Very low	43	Very low	121 Å²	121	138.1 Å²	138.1	73%	0.733	72%	0.719	S	S	*	*	S	Bend	trans	78.1	83.5	164.5	-162.8	0	0	0	0	117
480	N	27.8	Very low	42.7	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	72%	0.724	S	S	*	*				177.9	91	107.4	-93.6	-25.1	0	0	0	110.1
481	E	28.4	Very low	43.1	Very low	189 Å²	189	139 Å²	139	88%	0.883	72%	0.724	S	S	*	*			trans	-71.6	117.3	155.6	-70.5	-177.5	157.1	0	0	107.9
482	T	30.4	Very low	44.3	Very low	135 Å²	135	135.1 Å²	135.1	83%	0.828	71%	0.712	S	S	*	*			trans	169.5	84	139.6	32.4	0	0	0	0	109.7
483	E	34.1	Very low	45.8	Very low	196 Å²	196	134 Å²	134	92%	0.916	71%	0.707	S	S	*	*			trans	-160.4	88.7	145.8	-120.3	178.4	178.5	0	0	109.5	S485	E483-S485 PolarHBondContact O-N 2.88Å; E483-S485 VanDerWaalsContact O-N 3.09Å
484	Q	37.8	Very low	47.7	Very low	174 Å²	174	128 Å²	128	81%	0.813	69%	0.691	S	S	*	*			trans	-68.1	102.7	166.5	-102.6	173.8	-10	0	0	108.1	L489	Q484-L489 HydrophobicContact CB-CD1 4.5Å
485	S	44.2	Very low	49.7	Very low	60 Å²	60	128.9 Å²	128.9	42%	0.42	69%	0.689	S	S	.	*			trans	-55.6	129.1	176.2	-177	0	0	0	0	111	E483 S487 K488	E483-S485 PolarHBondContact O-N 2.88Å; E483-S485 VanDerWaalsContact O-N 3.09Å; S485-S487 PolarHBondContact O-N 2.77Å; S485-S487 PolarHBondContact OG-OG 2.64Å; S485-K488 PolarHBondContact O-N 3.05Å
486	P	50.3	Low	51.6	Low	93 Å²	93	128.5 Å²	128.5	60%	0.604	68%	0.676	S	S	*	*	H	α-helix	trans	-53.4	-27	-179.5	-26.1	32.5	0	0	0	114.1	K488 L489 I490	P486-K488 PolarHBondContact O-N 2.81Å; P486-L489 PolarHBondContact O-N 2.78Å; P486-I490 VanDerWaalsContact O-CG1 3.3Å; P486-I490 WeakPolarHBondContact O-CG1 3.48Å; P486-I490 PolarHBondContact O-N 3.08Å
487	S	58.3	Low	53.8	Low	73 Å²	73	124.7 Å²	124.7	51%	0.51	66%	0.658	S	S	.	*	H	α-helix	trans	-62.9	-36.2	-178.1	59.2	0	0	0	0	113.7	S485 F491	S485-S487 PolarHBondContact O-N 2.77Å; S485-S487 PolarHBondContact OG-OG 2.64Å; S487-F491 PolarHBondContact O-N 2.81Å; S487-F491 VanDerWaalsContact O-N 3.07Å
488	K	54.4	Low	56	Low	163 Å²	163	122.6 Å²	122.6	71%	0.709	64%	0.641	S	S	*	*	H	α-helix	trans	-73.9	-36.3	177.9	-76.2	-175.7	177.9	177.8	0	112.2	S485 P486 F491 C492	S485-K488 PolarHBondContact O-N 3.05Å; P486-K488 PolarHBondContact O-N 2.81Å; K488-F491 PolarHBondContact O-N 2.94Å; K488-C492 WeakPolarHBondContact O-CB 3.47Å; K488-C492 PolarHBondContact O-N 2.98Å; K488-C492 PolarHBondContact O-SG 2.97Å; K488-C492 VanDerWaalsContact O-SG 3.38Å
489	L	63	Low	58.3	Low	108 Å²	108	117.7 Å²	117.7	57%	0.565	62%	0.62	S	S	*	*	H	α-helix	trans	-64.2	-42.1	173.9	-96.7	134.1	0	0	0	111.1	Q484 P486 C492 F493	Q484-L489 HydrophobicContact CB-CD1 4.5Å; P486-L489 PolarHBondContact O-N 2.78Å; L489-C492 PolarHBondContact O-N 2.95Å; L489-F493 VanDerWaalsContact O-CB 3.31Å; L489-F493 WeakPolarHBondContact O-CB 3.46Å; L489-F493 PolarHBondContact O-N 2.96Å
490	I	70.8	Confident	60.4	Low	103 Å²	103	114.6 Å²	114.6	53%	0.528	60%	0.601	S	S	.	*	H	α-helix	trans	-62.4	-45.3	175.5	-65.4	163.7	0	0	0	110.8	P486 F493 I494	P486-I490 VanDerWaalsContact O-CG1 3.3Å; P486-I490 WeakPolarHBondContact O-CG1 3.48Å; P486-I490 PolarHBondContact O-N 3.08Å; I490-F493 PolarHBondContact O-N 2.81Å; I490-I494 HydrophobicContact CG2-CD1 3.83Å; I490-I494 HydrophobicContact CG2-CG1 4.45Å; I490-I494 VanDerWaalsContact O-CG1 3.3Å; I490-I494 WeakPolarHBondContact O-CG1 3.39Å; I490-I494 PolarHBondContact O-N 3.37Å
491	F	70.6	Confident	62.6	Low	143 Å²	143	110.9 Å²	110.9	63%	0.627	58%	0.583	S	S	*	*	H	α-helix	trans	-65.5	-42.7	-179.9	-157.9	-90.5	0	0	0	112.5	S487 K488 F493 I494 L495	S487-F491 PolarHBondContact O-N 2.81Å; S487-F491 VanDerWaalsContact O-N 3.07Å; K488-F491 PolarHBondContact O-N 2.94Å; F491-F493 VanDerWaalsContact C-N 3.31Å; F491-F493 PolarHBondContact O-N 2.89Å; F491-I494 PolarHBondContact O-N 3.36Å; F491-L495 WeakPolarHBondContact O-CB 3.35Å; F491-L495 PolarHBondContact O-N 3.12Å
492	C	74.2	Confident	64.4	Low	86 Å²	86	107.4 Å²	107.4	58%	0.581	57%	0.57	S	S	*	*	H	α-helix	trans	-63.5	-36.8	174	-73.5	0	0	0	0	112	K488 L489 L495 F496	K488-C492 WeakPolarHBondContact O-CB 3.47Å; K488-C492 PolarHBondContact O-N 2.98Å; K488-C492 PolarHBondContact O-SG 2.97Å; K488-C492 VanDerWaalsContact O-SG 3.38Å; L489-C492 PolarHBondContact O-N 2.95Å; C492-L495 PolarHBondContact O-N 3.02Å; C492-F496 VanDerWaalsContact O-CB 3.27Å; C492-F496 WeakPolarHBondContact O-CB 3.41Å; C492-F496 PolarHBondContact O-N 2.81Å
493	F	75.7	Confident	65.9	Low	146 Å²	146	106.2 Å²	106.2	64%	0.64	56%	0.558	S	S	*	*	H	α-helix	trans	-67.8	-42.7	177	-156.3	-93.3	0	0	0	111.7	L489 I490 F491 F496 V497	L489-F493 VanDerWaalsContact O-CB 3.31Å; L489-F493 WeakPolarHBondContact O-CB 3.46Å; L489-F493 PolarHBondContact O-N 2.96Å; I490-F493 PolarHBondContact O-N 2.81Å; F491-F493 VanDerWaalsContact C-N 3.31Å; F491-F493 PolarHBondContact O-N 2.89Å; F493-F496 PolarHBondContact O-N 3.07Å; F493-V497 HydrophobicContact CD1-CG2 4.03Å; F493-V497 HydrophobicContact CE1-CG2 3.96Å; F493-V497 VanDerWaalsContact O-CG2 3.29Å; F493-V497 WeakPolarHBondContact O-CG2 3.13Å; F493-V497 PolarHBondContact O-N 2.77Å
494	I	78.6	Confident	66.7	Low	106 Å²	106	104.8 Å²	104.8	54%	0.544	55%	0.549	S	S	.	.	H	α-helix	trans	-61.1	-45.8	174.8	-67.6	166.8	0	0	0	110.6	I490 F491 F496 V497 A498	I490-I494 HydrophobicContact CG2-CD1 3.83Å; I490-I494 HydrophobicContact CG2-CG1 4.45Å; I490-I494 VanDerWaalsContact O-CG1 3.3Å; I490-I494 WeakPolarHBondContact O-CG1 3.39Å; I490-I494 PolarHBondContact O-N 3.37Å; F491-I494 PolarHBondContact O-N 3.36Å; I494-F496 PolarHBondContact O-N 3.06Å; I494-V497 PolarHBondContact O-N 2.93Å; I494-A498 WeakPolarHBondContact O-CB 3.32Å; I494-A498 PolarHBondContact O-N 3.14Å
495	L	78.7	Confident	67.4	Low	98 Å²	98	104.4 Å²	104.4	51%	0.513	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-40.6	179.2	-163.5	74.5	0	0	0	111.6	F491 C492 A498 I499	F491-L495 WeakPolarHBondContact O-CB 3.35Å; F491-L495 PolarHBondContact O-N 3.12Å; C492-L495 PolarHBondContact O-N 3.02Å; L495-A498 PolarHBondContact O-N 3.12Å; L495-I499 HydrophobicContact CG-CD1 4.23Å; L495-I499 VanDerWaalsContact O-CG1 3.28Å; L495-I499 WeakPolarHBondContact O-CG1 3.42Å; L495-I499 PolarHBondContact O-N 3.48Å
496	F	81.7	Confident	67.3	Low	131 Å²	131	108.6 Å²	108.6	58%	0.575	56%	0.56	S	S	*	*	H	α-helix	trans	-64.6	-44.1	176.5	-177.5	-99.9	0	0	0	112	C492 F493 I494 A498 I499 V500	C492-F496 VanDerWaalsContact O-CB 3.27Å; C492-F496 WeakPolarHBondContact O-CB 3.41Å; C492-F496 PolarHBondContact O-N 2.81Å; F493-F496 PolarHBondContact O-N 3.07Å; I494-F496 PolarHBondContact O-N 3.06Å; F496-A498 VanDerWaalsContact C-N 3.35Å; F496-A498 PolarHBondContact O-N 3.02Å; F496-I499 PolarHBondContact O-N 2.81Å; F496-V500 HydrophobicContact CD1-CG2 4.15Å; F496-V500 HydrophobicContact CE1-CG2 3.76Å; F496-V500 HydrophobicContact CE2-CG2 4.2Å; F496-V500 HydrophobicContact CZ-CG2 3.79Å; F496-V500 WeakPolarHBondContact O-CG2 3.41Å; F496-V500 PolarHBondContact O-N 3.45Å
497	V	79	Confident	67	Low	67 Å²	67	115 Å²	115	41%	0.406	57%	0.572	S	S	.	*	H	α-helix	trans	-62.2	-43.1	175.8	173.1	0	0	0	0	110.7	F493 I494 I499 V500 V501	F493-V497 HydrophobicContact CD1-CG2 4.03Å; F493-V497 HydrophobicContact CE1-CG2 3.96Å; F493-V497 VanDerWaalsContact O-CG2 3.29Å; F493-V497 WeakPolarHBondContact O-CG2 3.13Å; F493-V497 PolarHBondContact O-N 2.77Å; I494-V497 PolarHBondContact O-N 2.93Å; V497-I499 PolarHBondContact O-N 3.28Å; V497-V500 PolarHBondContact O-N 3.27Å; V497-V501 HydrophobicContact CG1-CG2 4.3Å; V497-V501 WeakPolarHBondContact O-CB 3.44Å; V497-V501 VanDerWaalsContact O-CG2 3.23Å; V497-V501 WeakPolarHBondContact O-CG2 3.31Å; V497-V501 PolarHBondContact O-N 3.38Å
498	A	76.6	Confident	66.1	Low	48 Å²	48	116.4 Å²	116.4	40%	0.397	58%	0.579	S	S	.	*	H	α-helix	trans	-60.2	-43.3	176.5	0	0	0	0	0	112.1	I494 L495 F496 V501 L502	I494-A498 WeakPolarHBondContact O-CB 3.32Å; I494-A498 PolarHBondContact O-N 3.14Å; L495-A498 PolarHBondContact O-N 3.12Å; F496-A498 VanDerWaalsContact C-N 3.35Å; F496-A498 PolarHBondContact O-N 3.02Å; A498-V501 PolarHBondContact O-N 3.46Å; A498-L502 WeakPolarHBondContact O-CB 3.38Å; A498-L502 WeakPolarHBondContact O-CD1 3.38Å; A498-L502 VanDerWaalsContact O-CG 3.26Å; A498-L502 WeakPolarHBondContact O-CG 3.41Å; A498-L502 PolarHBondContact O-N 3.38Å
499	I	79.1	Confident	65.1	Low	82 Å²	82	114.1 Å²	114.1	42%	0.421	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-43	177.6	-68.5	166.4	0	0	0	111.3	L495 F496 V497 V501 L502 L503	L495-I499 HydrophobicContact CG-CD1 4.23Å; L495-I499 VanDerWaalsContact O-CG1 3.28Å; L495-I499 WeakPolarHBondContact O-CG1 3.42Å; L495-I499 PolarHBondContact O-N 3.48Å; F496-I499 PolarHBondContact O-N 2.81Å; V497-I499 PolarHBondContact O-N 3.28Å; I499-V501 VanDerWaalsContact C-N 3.35Å; I499-V501 PolarHBondContact O-N 3.23Å; I499-L502 PolarHBondContact O-N 3.18Å; I499-L503 HydrophobicContact CG2-CD1 3.67Å; I499-L503 HydrophobicContact CG2-CG 4.24Å; I499-L503 WeakPolarHBondContact O-CB 3.34Å; I499-L503 VanDerWaalsContact O-CG 3.26Å; I499-L503 WeakPolarHBondContact O-CG 3.36Å; I499-L503 PolarHBondContact O-N 2.76Å
500	V	74.6	Confident	63.7	Low	56 Å²	56	118.1 Å²	118.1	34%	0.339	60%	0.596	S	S	.	*	H	α-helix	trans	-66.3	-38.4	178.5	173.1	0	0	0	0	111.5	F496 V497 L503 K504	F496-V500 HydrophobicContact CD1-CG2 4.15Å; F496-V500 HydrophobicContact CE1-CG2 3.76Å; F496-V500 HydrophobicContact CE2-CG2 4.2Å; F496-V500 HydrophobicContact CZ-CG2 3.79Å; F496-V500 WeakPolarHBondContact O-CG2 3.41Å; F496-V500 PolarHBondContact O-N 3.45Å; V497-V500 PolarHBondContact O-N 3.27Å; V500-L503 PolarHBondContact O-N 2.98Å; V500-K504 WeakPolarHBondContact O-CB 3.44Å; V500-K504 PolarHBondContact O-N 3.2Å
501	V	73.8	Confident	62	Low	71 Å²	71	118.5 Å²	118.5	43%	0.43	61%	0.608	S	S	.	*	H	α-helix	trans	-61.7	-50.6	173.3	170.3	0	0	0	0	109.7	V497 A498 I499 L503 K504 F505	V497-V501 HydrophobicContact CG1-CG2 4.3Å; V497-V501 WeakPolarHBondContact O-CB 3.44Å; V497-V501 VanDerWaalsContact O-CG2 3.23Å; V497-V501 WeakPolarHBondContact O-CG2 3.31Å; V497-V501 PolarHBondContact O-N 3.38Å; A498-V501 PolarHBondContact O-N 3.46Å; I499-V501 VanDerWaalsContact C-N 3.35Å; I499-V501 PolarHBondContact O-N 3.23Å; V501-L503 VanDerWaalsContact C-N 3.33Å; V501-L503 PolarHBondContact O-N 3.45Å; V501-K504 PolarHBondContact O-N 3.04Å; V501-F505 HydrophobicContact CG1-CD2 3.78Å; V501-F505 HydrophobicContact CG1-CE2 3.8Å; V501-F505 WeakPolarHBondContact O-CD2 3.41Å; V501-F505 PolarHBondContact O-N 2.97Å
502	L	66.9	Low	60.1	Low	117 Å²	117	119.8 Å²	119.8	61%	0.613	62%	0.62	S	S	*	*	H	α-helix	trans	-56.6	-44.5	176.4	-75.2	163.9	0	0	0	112.2	A498 I499 F505 M506	A498-L502 WeakPolarHBondContact O-CB 3.38Å; A498-L502 WeakPolarHBondContact O-CD1 3.38Å; A498-L502 VanDerWaalsContact O-CG 3.26Å; A498-L502 WeakPolarHBondContact O-CG 3.41Å; A498-L502 PolarHBondContact O-N 3.38Å; I499-L502 PolarHBondContact O-N 3.18Å; L502-F505 PolarHBondContact O-N 3.11Å; L502-M506 VanDerWaalsContact O-CG 3.3Å; L502-M506 WeakPolarHBondContact O-CG 3.03Å; L502-M506 PolarHBondContact O-N 3.27Å; L502-M506 VanDerWaalsContact O-N 3.11Å
503	L	61	Low	58.1	Low	110 Å²	110	121.7 Å²	121.7	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-70.6	-31.2	-179.9	-71.5	171.2	0	0	0	113.5	I499 V500 V501 M506	I499-L503 HydrophobicContact CG2-CD1 3.67Å; I499-L503 HydrophobicContact CG2-CG 4.24Å; I499-L503 WeakPolarHBondContact O-CB 3.34Å; I499-L503 VanDerWaalsContact O-CG 3.26Å; I499-L503 WeakPolarHBondContact O-CG 3.36Å; I499-L503 PolarHBondContact O-N 2.76Å; V500-L503 PolarHBondContact O-N 2.98Å; V501-L503 VanDerWaalsContact C-N 3.33Å; V501-L503 PolarHBondContact O-N 3.45Å; L503-M506 PolarHBondContact O-N 2.82Å
504	K	52.4	Low	55.7	Low	165 Å²	165	118.7 Å²	118.7	72%	0.717	63%	0.634	S	S	*	*	H	α-helix	trans	-69.6	-36.9	172.2	-90.4	-173.6	174.2	-179.1	0	112.1	V500 V501 M506 R507	V500-K504 WeakPolarHBondContact O-CB 3.44Å; V500-K504 PolarHBondContact O-N 3.2Å; V501-K504 PolarHBondContact O-N 3.04Å; K504-M506 VanDerWaalsContact C-N 3.29Å; K504-M506 PolarHBondContact O-N 3.02Å; K504-R507 PolarHBondContact O-N 3.02Å
505	F	51.6	Low	53.5	Low	166 Å²	166	120.1 Å²	120.1	73%	0.728	64%	0.641	S	S	*	*	H	α-helix	trans	-74.9	-18	177	-80.1	-73.2	0	0	0	113.4	V501 L502 R507	V501-F505 HydrophobicContact CG1-CD2 3.78Å; V501-F505 HydrophobicContact CG1-CE2 3.8Å; V501-F505 WeakPolarHBondContact O-CD2 3.41Å; V501-F505 PolarHBondContact O-N 2.97Å; L502-F505 PolarHBondContact O-N 3.11Å; F505-R507 VanDerWaalsContact C-N 3.27Å; F505-R507 PolarHBondContact O-N 2.93Å
506	M	41.4	Very low	50.9	Low	148 Å²	148	127.1 Å²	127.1	73%	0.729	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	3.8	172.8	-69.5	-141	74.7	0	0	115	L502 L503 K504	L502-M506 VanDerWaalsContact O-CG 3.3Å; L502-M506 WeakPolarHBondContact O-CG 3.03Å; L502-M506 PolarHBondContact O-N 3.27Å; L502-M506 VanDerWaalsContact O-N 3.11Å; L503-M506 PolarHBondContact O-N 2.82Å; K504-M506 VanDerWaalsContact C-N 3.29Å; K504-M506 PolarHBondContact O-N 3.02Å
507	R	44.7	Very low	48.6	Very low	228 Å²	228	126.9 Å²	126.9	86%	0.86	67%	0.67	S	S	*	*	S	Bend	trans	-107.5	9.2	-172.3	-103.9	-174.1	-178.9	-168.2	2	120.1	K504 F505	K504-R507 PolarHBondContact O-N 3.02Å; F505-R507 VanDerWaalsContact C-N 3.27Å; F505-R507 PolarHBondContact O-N 2.93Å
508	P	39.9	Very low	46.4	Very low	102 Å²	102	129.3 Å²	129.3	66%	0.662	69%	0.687	S	S	*	*	S	Bend	trans	-127.3	64.3	158.3	37.8	-22.9	0	0	0	112.3
509	C	33.5	Very low	44.1	Very low	116 Å²	116	132.1 Å²	132.1	78%	0.784	71%	0.71	S	S	*	*	S	Bend	trans	-124.5	9.7	162.7	-81	0	0	0	0	113.9
510	F	33.8	Very low	41.9	Very low	192 Å²	192	131.8 Å²	131.8	84%	0.842	73%	0.727	S	S	*	*	S	Bend	trans	-119.3	30.5	175.1	-84.4	-78.9	0	0	0	113.6
511	S	33.6	Very low	39.6	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	75%	0.753	S	S	*	*	S	Bend	trans	-119.3	66.8	164	-176.3	0	0	0	0	108.8
512	L	30.6	Very low	37.7	Very low	169 Å²	169	144.3 Å²	144.3	89%	0.885	77%	0.767	S	S	*	*			trans	-168.2	47.4	167.5	-102.3	158	0	0	0	109.5
513	I	33	Very low	35.8	Very low	127 Å²	127	149.2 Å²	149.2	65%	0.651	78%	0.778	S	S	*	*			trans	-120.2	82.7	157.5	-61.2	175	0	0	0	105.5	I515	I513-I515 VanDerWaalsContact C-N 3.29Å; I513-I515 HydrophobicContact CG2-CD1 3.65Å; I513-I515 HydrophobicContact CG2-CG1 3.74Å; I513-I515 PolarHBondContact O-N 2.95Å
514	G	26.1	Very low	34	Very low	83 Å²	83	149.6 Å²	149.6	86%	0.856	79%	0.788	S	S	*	*			trans	-67.3	91.5	165	0	0	0	0	0	108.7
515	I	31.9	Very low	32.9	Very low	136 Å²	136	149 Å²	149	70%	0.697	79%	0.792	S	S	*	*			trans	-111.3	99.7	160	-65.5	172.3	0	0	0	106.6	I513 T517	I513-I515 VanDerWaalsContact C-N 3.29Å; I513-I515 HydrophobicContact CG2-CD1 3.65Å; I513-I515 HydrophobicContact CG2-CG1 3.74Å; I513-I515 PolarHBondContact O-N 2.95Å; I515-T517 PolarHBondContact O-N 3.45Å
516	R	24.6	Very low	32	Very low	245 Å²	245	154.1 Å²	154.1	93%	0.925	81%	0.814	S	S	*	*			trans	-64.4	117.2	160.1	-85.8	176.8	165.8	177.6	-3.8	108.2
517	T	31.4	Very low	31.5	Very low	126 Å²	126	154.4 Å²	154.4	77%	0.773	82%	0.818	S	S	*	*			trans	-164.3	153.6	142.1	30.2	0	0	0	0	110.3	I515	I515-T517 PolarHBondContact O-N 3.45Å
518	P	34.3	Very low	30.8	Very low	117 Å²	117	150.5 Å²	150.5	76%	0.76	82%	0.816	S	S	*	*			trans	-99.9	156.7	-135.9	36.8	-34.5	0	0	0	115.2
519	A	28.6	Very low	30.3	Very low	107 Å²	107	153.2 Å²	153.2	88%	0.884	83%	0.825	S	S	*	*			trans	23.4	100.2	145.9	0	0	0	0	0	117.5
520	G	31.8	Very low	30.2	Very low	76 Å²	76	155.4 Å²	155.4	78%	0.784	83%	0.827	S	S	*	*			trans	-144.6	103.6	164.2	0	0	0	0	0	110.1
521	R	26.8	Very low	29.9	Very low	231 Å²	231	153.1 Å²	153.1	87%	0.872	83%	0.826	S	S	*	*			trans	-49.7	140	168	-74.8	166.5	170	173	-3	110.6
522	H	34.1	Very low	29.7	Very low	159 Å²	159	155.9 Å²	155.9	74%	0.736	83%	0.829	S	S	*	*				175.9	121.1	118.8	-92.2	-64.8	0	0	0	112.4
523	R	27.6	Very low	29.6	Very low	220 Å²	220	155 Å²	155	83%	0.83	83%	0.825	S	S	*	*			trans	40.3	116.3	138.5	-67.6	176.6	175.5	-172.7	-3.6	118.9
524	C	22.5	Very low	29.4	Very low	117 Å²	117	157.2 Å²	157.2	79%	0.791	84%	0.839	S	S	*	*				57.5	114.9	84.7	-72.1	0	0	0	0	114.9
525	L	29.5	Very low	29.6	Very low	153 Å²	153	163.3 Å²	163.3	80%	0.801	84%	0.837	S	S	*	*				178	129.2	110.9	-91.8	157	0	0	0	111.2
526	F	32.5	Very low	29.4	Very low	273 Å²	273	165.8 Å²	165.8	100%	1.197	85%	0.85	S	S	*	*			trans	59.5	0	165.9	-73.7	-81.8	0	0	0	120.4

Retrieved 526 of 526 residues in 383.3 ms (Link to these results)

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