A0A087YGH2_POEFO Loading...

Heparan sulfate 2-O-sulfotransferase 1

AlphaFold DB , UniProt , Accession A0A087YGH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 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	40.4	Very low	55.7	Low	249 Å²	249	145 Å²	145	100%	1.227	76%	0.764	S	S	*	*				0	89	0	-57.6	-174.9	-157.1	0	0	106.5
2	G	44	Very low	57	Low	69 Å²	69	141.2 Å²	141.2	71%	0.711	74%	0.744	S	S	*	*				90.6	69.7	78	0	0	0	0	0	109.9	L4	G2-L4 PolarHBondContact O-N 2.8Å; G2-L4 VanDerWaalsContact O-N 3.12Å
3	L	49.9	Very low	58.3	Low	174 Å²	174	137.5 Å²	137.5	91%	0.911	72%	0.72	S	S	*	*			trans	-63.9	106.3	171.1	-98.3	91.1	0	0	0	109	R5	L3-R5 PolarHBondContact O-N 2.6Å; L3-R5 VanDerWaalsContact O-N 3.11Å
4	L	44.9	Very low	59.7	Low	159 Å²	159	135.6 Å²	135.6	83%	0.832	71%	0.71	S	S	*	*			trans	-71.1	100.2	167.1	-99.6	100.8	0	0	0	109.1	G2 V6	G2-L4 PolarHBondContact O-N 2.8Å; G2-L4 VanDerWaalsContact O-N 3.12Å; L4-V6 PolarHBondContact O-N 3.24Å; L4-V6 VanDerWaalsContact O-N 3.16Å
5	R	55.4	Low	61.1	Low	228 Å²	228	134.5 Å²	134.5	86%	0.86	70%	0.704	S	S	*	*			trans	-70.1	100.9	158.3	-88.3	-176.5	173	175.1	-1.7	108	L3 I7	L3-R5 PolarHBondContact O-N 2.6Å; L3-R5 VanDerWaalsContact O-N 3.11Å; R5-I7 PolarHBondContact O-N 3.08Å; R5-I7 VanDerWaalsContact O-N 3.09Å
6	V	58.3	Low	62.3	Low	122 Å²	122	129.8 Å²	129.8	74%	0.739	69%	0.69	S	S	*	*			trans	-71.4	98.4	165	-179	0	0	0	0	107.1	L4 M8	L4-V6 PolarHBondContact O-N 3.24Å; L4-V6 VanDerWaalsContact O-N 3.16Å; V6-M8 PolarHBondContact O-N 3.21Å
7	I	58	Low	63.6	Low	144 Å²	144	128.9 Å²	128.9	74%	0.738	69%	0.685	S	S	*	*			trans	-75.2	102.5	172.4	-61.7	173	0	0	0	106.5	R5	R5-I7 PolarHBondContact O-N 3.08Å; R5-I7 VanDerWaalsContact O-N 3.09Å
8	M	58.6	Low	64.8	Low	106 Å²	106	127.6 Å²	127.6	52%	0.522	68%	0.678	S	S	.	*			trans	-59	140.2	170.8	-86.2	-172	177.7	0	0	109.6	V6 Q13	V6-M8 PolarHBondContact O-N 3.21Å; M8-Q13 HydrophobicContact CB-CG 3.71Å
9	P	66.3	Low	65.9	Low	70 Å²	70	124.2 Å²	124.2	46%	0.455	67%	0.669	S	S	.	*			trans	-55.9	139.3	175.9	-21.9	31.3	0	0	0	110.6	K11 L12 Q13	P9-K11 PolarHBondContact O-N 3.32Å; P9-L12 HydrophobicContact CB-CD1 4.09Å; P9-L12 HydrophobicContact CG-CD1 3.68Å; P9-L12 WeakPolarHBondContact O-CB 3.26Å; P9-L12 PolarHBondContact O-N 2.85Å; P9-Q13 PolarHBondContact O-N 3.16Å; P9-Q13 VanDerWaalsContact O-N 3.16Å
10	P	67.3	Low	66.9	Low	101 Å²	101	124.7 Å²	124.7	66%	0.656	67%	0.665	S	S	*	*	H	α-helix	trans	-57.4	-26.8	-175.4	17.8	-29.9	0	0	0	113.4	L14	P10-L14 WeakPolarHBondContact O-CB 3.12Å; P10-L14 PolarHBondContact O-N 3.36Å
11	K	69.9	Low	67.8	Low	173 Å²	173	121.6 Å²	121.6	75%	0.752	66%	0.657	S	S	*	*	H	α-helix	trans	-68.6	-35.4	173.7	-63	-171.6	178	-177.3	0	113.6	P9 L15	P9-K11 PolarHBondContact O-N 3.32Å; K11-L15 PolarHBondContact O-N 2.87Å; K11-L15 VanDerWaalsContact O-N 3.17Å
12	L	71.3	Confident	70.1	Confident	99 Å²	99	114.2 Å²	114.2	52%	0.518	63%	0.626	S	S	.	*	H	α-helix	trans	-76.7	-35.3	176.8	-90.1	136.2	0	0	0	111.8	P9 L15 A16	P9-L12 HydrophobicContact CB-CD1 4.09Å; P9-L12 HydrophobicContact CG-CD1 3.68Å; P9-L12 WeakPolarHBondContact O-CB 3.26Å; P9-L12 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 3.29Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.42Å
13	Q	73.3	Confident	72.2	Confident	94 Å²	94	113.2 Å²	113.2	44%	0.439	61%	0.611	S	S	.	*	H	α-helix	trans	-64.7	-41	172	-68.2	-179.9	-32.4	0	0	111.7	M8 P9 A16 L17	M8-Q13 HydrophobicContact CB-CG 3.71Å; P9-Q13 PolarHBondContact O-N 3.16Å; P9-Q13 VanDerWaalsContact O-N 3.16Å; Q13-A16 PolarHBondContact O-N 3.29Å; Q13-L17 WeakPolarHBondContact O-CB 3.5Å; Q13-L17 WeakPolarHBondContact O-CG 3.11Å; Q13-L17 PolarHBondContact O-N 3.16Å
14	L	77.8	Confident	74.1	Confident	111 Å²	111	108.6 Å²	108.6	58%	0.581	59%	0.586	S	S	*	*	H	α-helix	trans	-63.5	-42.7	175.4	-171.4	70	0	0	0	111.9	P10 L17 L18	P10-L14 WeakPolarHBondContact O-CB 3.12Å; P10-L14 PolarHBondContact O-N 3.36Å; L14-L17 PolarHBondContact O-N 3.4Å; L14-L18 WeakPolarHBondContact O-CB 3.14Å; L14-L18 PolarHBondContact O-N 3.18Å
15	L	81.3	Confident	76.1	Confident	119 Å²	119	108 Å²	108	62%	0.623	58%	0.576	S	S	*	*	H	α-helix	trans	-62.7	-42.4	175.4	-102.8	154	0	0	0	112.6	K11 L12 L18 A19	K11-L15 PolarHBondContact O-N 2.87Å; K11-L15 VanDerWaalsContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 3.29Å; L15-L18 PolarHBondContact O-N 3.08Å; L15-A19 WeakPolarHBondContact O-CB 3.23Å; L15-A19 PolarHBondContact O-N 3.5Å
16	A	80.9	Confident	77.8	Confident	58 Å²	58	102.9 Å²	102.9	48%	0.479	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-40.4	176.3	0	0	0	0	0	112.1	L12 Q13 A19 F20	L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.42Å; Q13-A16 PolarHBondContact O-N 3.29Å; A16-A19 PolarHBondContact O-N 3.31Å; A16-F20 VanDerWaalsContact O-CB 3.29Å; A16-F20 WeakPolarHBondContact O-CB 3.41Å; A16-F20 PolarHBondContact O-N 3.36Å
17	L	83	Confident	79.2	Confident	116 Å²	116	101.7 Å²	101.7	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-64.8	-40.9	174.3	-76.1	168.3	0	0	0	112.1	Q13 L14 F20 A21	Q13-L17 WeakPolarHBondContact O-CB 3.5Å; Q13-L17 WeakPolarHBondContact O-CG 3.11Å; Q13-L17 PolarHBondContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 3.4Å; L17-F20 PolarHBondContact O-N 3.4Å; L17-A21 WeakPolarHBondContact O-CB 3.29Å; L17-A21 PolarHBondContact O-N 3.31Å
18	L	85.3	Confident	80.6	Confident	105 Å²	105	100 Å²	100	55%	0.55	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-45	176.4	-119.8	146.7	0	0	0	111.5	L14 L15 F20 A21 V22	L14-L18 WeakPolarHBondContact O-CB 3.14Å; L14-L18 PolarHBondContact O-N 3.18Å; L15-L18 PolarHBondContact O-N 3.08Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 3.34Å; L18-A21 PolarHBondContact O-N 3.38Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.46Å; L18-V22 PolarHBondContact O-N 3.49Å
19	A	85.6	Confident	82	Confident	62 Å²	62	97.9 Å²	97.9	51%	0.512	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-40.7	175.8	0	0	0	0	0	111.9	L15 A16 V22 A23	L15-A19 WeakPolarHBondContact O-CB 3.23Å; L15-A19 PolarHBondContact O-N 3.5Å; A16-A19 PolarHBondContact O-N 3.31Å; A19-V22 PolarHBondContact O-N 3.45Å; A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.29Å
20	F	87.3	Confident	83.2	Confident	135 Å²	135	98.2 Å²	98.2	59%	0.592	53%	0.525	S	S	*	.	H	α-helix	trans	-64.9	-43	175.2	-174.5	-97.6	0	0	0	112	A16 L17 L18 V22 A23 M24	A16-F20 VanDerWaalsContact O-CB 3.29Å; A16-F20 WeakPolarHBondContact O-CB 3.41Å; A16-F20 PolarHBondContact O-N 3.36Å; L17-F20 PolarHBondContact O-N 3.4Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 3.34Å; F20-V22 PolarHBondContact O-N 3.31Å; F20-A23 PolarHBondContact O-N 3.16Å; F20-M24 HydrophobicContact CD1-CG 4.07Å; F20-M24 HydrophobicContact CE1-CG 3.66Å; F20-M24 HydrophobicContact CE1-SD 4.4Å; F20-M24 HydrophobicContact CZ-CG 3.91Å; F20-M24 HydrophobicContact CZ-SD 4.17Å; F20-M24 WeakPolarHBondContact O-CB 3.4Å; F20-M24 WeakPolarHBondContact O-CG 3.02Å; F20-M24 PolarHBondContact O-N 3.48Å
21	A	85.2	Confident	84.2	Confident	59 Å²	59	98 Å²	98	49%	0.488	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-41.5	176.4	0	0	0	0	0	112.1	L17 L18 M24 F25	L17-A21 WeakPolarHBondContact O-CB 3.29Å; L17-A21 PolarHBondContact O-N 3.31Å; L18-A21 PolarHBondContact O-N 3.38Å; A21-M24 PolarHBondContact O-N 3.21Å; A21-F25 WeakPolarHBondContact O-CB 3.34Å; A21-F25 PolarHBondContact O-N 3.24Å
22	V	88.7	Confident	85.1	Confident	94 Å²	94	96.1 Å²	96.1	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-65.6	-41.2	175.1	172.4	0	0	0	0	111.4	L18 A19 F20 F25 F26	L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.46Å; L18-V22 PolarHBondContact O-N 3.49Å; A19-V22 PolarHBondContact O-N 3.45Å; F20-V22 PolarHBondContact O-N 3.31Å; V22-F25 PolarHBondContact O-N 3.08Å; V22-F26 WeakPolarHBondContact O-CB 3.43Å; V22-F26 PolarHBondContact O-N 3.05Å
23	A	88.1	Confident	85.9	Confident	48 Å²	48	96.8 Å²	96.8	40%	0.397	51%	0.51	S	S	.	.	H	α-helix	trans	-65.1	-41.8	176.4	0	0	0	0	0	112.2	A19 F20 F26 L27	A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.29Å; F20-A23 PolarHBondContact O-N 3.16Å; A23-F26 PolarHBondContact O-N 3.32Å; A23-L27 WeakPolarHBondContact O-CG 3.33Å; A23-L27 PolarHBondContact O-N 3.17Å
24	M	89	Confident	86.7	Confident	78 Å²	78	98 Å²	98	38%	0.384	52%	0.519	S	S	.	.	H	α-helix	trans	-61.2	-46.3	174	-80.1	-64.7	-63.2	0	0	111.4	F20 A21 F26 L27 E28	F20-M24 HydrophobicContact CD1-CG 4.07Å; F20-M24 HydrophobicContact CE1-CG 3.66Å; F20-M24 HydrophobicContact CE1-SD 4.4Å; F20-M24 HydrophobicContact CZ-CG 3.91Å; F20-M24 HydrophobicContact CZ-SD 4.17Å; F20-M24 WeakPolarHBondContact O-CB 3.4Å; F20-M24 WeakPolarHBondContact O-CG 3.02Å; F20-M24 PolarHBondContact O-N 3.48Å; A21-M24 PolarHBondContact O-N 3.21Å; M24-F26 VanDerWaalsContact C-N 3.3Å; M24-F26 PolarHBondContact O-N 3.21Å; M24-L27 PolarHBondContact O-N 3.32Å; M24-L27 VanDerWaalsContact O-N 3.15Å; M24-E28 WeakPolarHBondContact O-CG 3.28Å; M24-E28 PolarHBondContact O-N 3.48Å
25	F	87.8	Confident	87.2	Confident	146 Å²	146	98.9 Å²	98.9	64%	0.64	52%	0.52	S	S	*	.	H	α-helix	trans	-62.8	-37.3	177.1	-168.2	-97.4	0	0	0	112.3	A21 V22 N29	A21-F25 WeakPolarHBondContact O-CB 3.34Å; A21-F25 PolarHBondContact O-N 3.24Å; V22-F25 PolarHBondContact O-N 3.08Å; F25-N29 WeakPolarHBondContact O-CB 3.31Å; F25-N29 PolarHBondContact O-N 3.3Å
26	F	90.1	Very high	87.7	Confident	121 Å²	121	98.4 Å²	98.4	53%	0.531	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-43.4	173.5	-177.6	-95.8	0	0	0	111.9	V22 A23 M24 N29 Q30	V22-F26 WeakPolarHBondContact O-CB 3.43Å; V22-F26 PolarHBondContact O-N 3.05Å; A23-F26 PolarHBondContact O-N 3.32Å; M24-F26 VanDerWaalsContact C-N 3.3Å; M24-F26 PolarHBondContact O-N 3.21Å; F26-N29 PolarHBondContact O-N 3.34Å; F26-Q30 HydrophobicContact CD1-CG 4.09Å; F26-Q30 HydrophobicContact CE1-CG 3.73Å; F26-Q30 HydrophobicContact CZ-CG 4.03Å; F26-Q30 VanDerWaalsContact O-CG 3.3Å; F26-Q30 WeakPolarHBondContact O-CG 3.26Å; F26-Q30 PolarHBondContact O-N 2.89Å
27	L	88.5	Confident	88.1	Confident	96 Å²	96	98.8 Å²	98.8	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-44.5	176.9	-74.8	167.3	0	0	0	111.9	A23 M24 N29 Q30 I31	A23-L27 WeakPolarHBondContact O-CG 3.33Å; A23-L27 PolarHBondContact O-N 3.17Å; M24-L27 PolarHBondContact O-N 3.32Å; M24-L27 VanDerWaalsContact O-N 3.15Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.28Å; L27-Q30 PolarHBondContact O-N 3.03Å; L27-Q30 VanDerWaalsContact O-N 3.17Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.42Å; L27-I31 PolarHBondContact O-N 3.19Å
28	E	87.8	Confident	88.4	Confident	110 Å²	110	101 Å²	101	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-59.1	-44.2	174.8	-76.1	179.2	173.9	0	0	111.4	M24 Q30 I31 Q32	M24-E28 WeakPolarHBondContact O-CG 3.28Å; M24-E28 PolarHBondContact O-N 3.48Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; E28-Q30 PolarHBondContact O-N 3.23Å; E28-I31 PolarHBondContact O-N 3.45Å; E28-Q32 WeakPolarHBondContact O-CB 3.28Å; E28-Q32 PolarHBondContact O-N 3.21Å
29	N	88.9	Confident	88.6	Confident	61 Å²	61	97.1 Å²	97.1	33%	0.326	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-36.9	175.9	-172.8	26.5	0	0	0	112.4	F25 F26 L27 K33	F25-N29 WeakPolarHBondContact O-CB 3.31Å; F25-N29 PolarHBondContact O-N 3.3Å; F26-N29 PolarHBondContact O-N 3.34Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 3.28Å; N29-K33 WeakPolarHBondContact O-CG 3.27Å; N29-K33 PolarHBondContact O-N 2.99Å; N29-K33 VanDerWaalsContact O-N 3.1Å
30	Q	90.5	Very high	88.8	Confident	77 Å²	77	99.5 Å²	99.5	36%	0.36	50%	0.498	S	S	.	.	H	α-helix	trans	-67.4	-43.5	174.3	-71.5	-67.2	-27.5	0	0	111.7	F26 L27 E28 K33 L34	F26-Q30 HydrophobicContact CD1-CG 4.09Å; F26-Q30 HydrophobicContact CE1-CG 3.73Å; F26-Q30 HydrophobicContact CZ-CG 4.03Å; F26-Q30 VanDerWaalsContact O-CG 3.3Å; F26-Q30 WeakPolarHBondContact O-CG 3.26Å; F26-Q30 PolarHBondContact O-N 2.89Å; L27-Q30 PolarHBondContact O-N 3.03Å; L27-Q30 VanDerWaalsContact O-N 3.17Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; E28-Q30 PolarHBondContact O-N 3.23Å; Q30-K33 PolarHBondContact O-N 3.13Å; Q30-L34 WeakPolarHBondContact O-CB 3.47Å; Q30-L34 PolarHBondContact O-N 3.1Å
31	I	89.1	Confident	88.9	Confident	95 Å²	95	98.3 Å²	98.3	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-46.3	176.5	-69.6	164.9	0	0	0	110.1	L27 E28 K33 L34 E35	L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.42Å; L27-I31 PolarHBondContact O-N 3.19Å; E28-I31 PolarHBondContact O-N 3.45Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 2.9Å; I31-L34 WeakPolarHBondContact O-CA 3.31Å; I31-L34 WeakPolarHBondContact O-CB 3.43Å; I31-L34 PolarHBondContact O-N 3.08Å; I31-E35 HydrophobicContact CG2-CG 4.42Å; I31-E35 WeakPolarHBondContact O-CG 3.5Å; I31-E35 PolarHBondContact O-N 3.02Å
32	Q	87.1	Confident	89	Confident	134 Å²	134	100.2 Å²	100.2	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-62	-40.7	179.7	-165.2	173.3	10.7	0	0	112.1	E28 L34 E35 E36	E28-Q32 WeakPolarHBondContact O-CB 3.28Å; E28-Q32 PolarHBondContact O-N 3.21Å; Q32-L34 VanDerWaalsContact C-N 3.33Å; Q32-L34 PolarHBondContact O-N 3.38Å; Q32-E35 PolarHBondContact O-N 3.37Å; Q32-E36 PolarHBondContact O-N 3.05Å
33	K	89.8	Confident	89	Confident	114 Å²	114	102.4 Å²	102.4	50%	0.496	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-39.1	172.1	-76.9	178.2	-178.4	179.7	0	112.5	N29 Q30 I31 E36 S37	N29-K33 WeakPolarHBondContact O-CG 3.27Å; N29-K33 PolarHBondContact O-N 2.99Å; N29-K33 VanDerWaalsContact O-N 3.1Å; Q30-K33 PolarHBondContact O-N 3.13Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-K33 PolarHBondContact O-N 2.9Å; K33-E36 PolarHBondContact O-N 3.47Å; K33-S37 WeakPolarHBondContact O-CB 3.02Å; K33-S37 PolarHBondContact O-N 3.33Å
34	L	89.4	Confident	88.9	Confident	120 Å²	120	102.7 Å²	102.7	63%	0.628	50%	0.496	S	S	*	.	H	α-helix	trans	-67.2	-43.7	179.7	-138.1	117.4	0	0	0	110.9	Q30 I31 Q32 S37 R38	Q30-L34 WeakPolarHBondContact O-CB 3.47Å; Q30-L34 PolarHBondContact O-N 3.1Å; I31-L34 WeakPolarHBondContact O-CA 3.31Å; I31-L34 WeakPolarHBondContact O-CB 3.43Å; I31-L34 PolarHBondContact O-N 3.08Å; Q32-L34 VanDerWaalsContact C-N 3.33Å; Q32-L34 PolarHBondContact O-N 3.38Å; L34-S37 PolarHBondContact O-N 3.28Å; L34-S37 PolarHBondContact O-OG 3.14Å; L34-R38 WeakPolarHBondContact O-CB 3.37Å; L34-R38 PolarHBondContact O-N 2.85Å
35	E	88.7	Confident	88.8	Confident	129 Å²	129	102.8 Å²	102.8	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-62	-42.2	174.9	-72.4	179.9	167.2	0	0	112	I31 Q32 S37 R38 G39	I31-E35 HydrophobicContact CG2-CG 4.42Å; I31-E35 WeakPolarHBondContact O-CG 3.5Å; I31-E35 PolarHBondContact O-N 3.02Å; Q32-E35 PolarHBondContact O-N 3.37Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 2.04Å; E35-R38 PolarHBondContact O-N 3.11Å; E35-G39 PolarHBondContact O-N 2.86Å
36	E	91.2	Very high	88.6	Confident	109 Å²	109	98.2 Å²	98.2	51%	0.509	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-40.4	175.8	-159.2	-162.7	151.6	0	0	111.7	Q32 K33 G39 K40	Q32-E36 PolarHBondContact O-N 3.05Å; K33-E36 PolarHBondContact O-N 3.47Å; E36-G39 PolarHBondContact O-N 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.07Å; E36-K40 PolarHBondContact O-N 2.65Å; E36-K40 WeakPolarHBondContact OE1-CE 3.46Å; E36-K40 IonicContact OE1-NZ 2.75Å; E36-K40 PolarHBondContact OE1-NZ 3.14Å
37	S	89.2	Confident	88.4	Confident	66 Å²	66	100.5 Å²	100.5	46%	0.462	49%	0.491	S	S	.	.	H	α-helix	trans	-66	-40.8	176.5	78.2	0	0	0	0	111.9	K33 L34 E35 K40 L41	K33-S37 WeakPolarHBondContact O-CB 3.02Å; K33-S37 PolarHBondContact O-N 3.33Å; L34-S37 PolarHBondContact O-N 3.28Å; L34-S37 PolarHBondContact O-OG 3.14Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 2.04Å; S37-K40 WeakPolarHBondContact O-CB 3.28Å; S37-K40 PolarHBondContact O-N 2.91Å; S37-L41 PolarHBondContact O-N 3.09Å
38	R	90	Very high	88.2	Confident	163 Å²	163	101.2 Å²	101.2	62%	0.615	49%	0.492	S	S	*	.	H	α-helix	trans	-63.7	-45.5	175.9	-178.5	-177.9	161.2	-169.1	-6.3	111	L34 E35 K40 L41 E42	L34-R38 WeakPolarHBondContact O-CB 3.37Å; L34-R38 PolarHBondContact O-N 2.85Å; E35-R38 PolarHBondContact O-N 3.11Å; R38-K40 VanDerWaalsContact C-N 3.26Å; R38-K40 PolarHBondContact O-N 3.21Å; R38-L41 PolarHBondContact O-N 2.99Å; R38-L41 VanDerWaalsContact O-N 3.1Å; R38-E42 HydrophobicContact CG-CG 4.47Å; R38-E42 IonicContact CZ-OE1 3.04Å; R38-E42 IonicContact NE-OE1 2.7Å; R38-E42 PolarHBondContact NE-OE1 3.46Å; R38-E42 IonicContact NH2-OE1 2.82Å; R38-E42 PolarHBondContact NH2-OE1 2.75Å; R38-E42 WeakPolarHBondContact O-CG 3.45Å; R38-E42 PolarHBondContact O-N 3.49Å
39	G	89.2	Confident	87.9	Confident	23 Å²	23	101.4 Å²	101.4	24%	0.237	49%	0.493	C	S	.	.	H	α-helix	trans	-65.2	-26.4	175.9	0	0	0	0	0	113.6	E35 E36 R43	E35-G39 PolarHBondContact O-N 2.86Å; E36-G39 PolarHBondContact O-N 3.26Å; G39-R43 WeakPolarHBondContact O-CG 3.41Å; G39-R43 PolarHBondContact O-N 3.21Å; G39-R43 PolarHBondContact O-NE 2.71Å
40	K	89.8	Confident	87.6	Confident	112 Å²	112	102.3 Å²	102.3	49%	0.487	50%	0.5	S	S	.	.	H	α-helix	trans	-72.7	-41	170.2	-74	171.3	-173.9	165.8	0	111.4	E36 S37 R38 A44	E36-K40 WeakPolarHBondContact O-CG 3.07Å; E36-K40 PolarHBondContact O-N 2.65Å; E36-K40 WeakPolarHBondContact OE1-CE 3.46Å; E36-K40 IonicContact OE1-NZ 2.75Å; E36-K40 PolarHBondContact OE1-NZ 3.14Å; S37-K40 WeakPolarHBondContact O-CB 3.28Å; S37-K40 PolarHBondContact O-N 2.91Å; R38-K40 VanDerWaalsContact C-N 3.26Å; R38-K40 PolarHBondContact O-N 3.21Å; K40-A44 WeakPolarHBondContact O-CB 3.42Å; K40-A44 PolarHBondContact O-N 3.38Å
41	L	89.1	Confident	87.2	Confident	110 Å²	110	106.7 Å²	106.7	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-66.4	-46.9	178.1	-174.3	63.5	0	0	0	112.1	S37 R38 R43 A44 I45	S37-L41 PolarHBondContact O-N 3.09Å; R38-L41 PolarHBondContact O-N 2.99Å; R38-L41 VanDerWaalsContact O-N 3.1Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.16Å; L41-A44 WeakPolarHBondContact O-CA 3.31Å; L41-A44 WeakPolarHBondContact O-CB 3.48Å; L41-A44 PolarHBondContact O-N 2.99Å; L41-I45 HydrophobicContact CD1-CD1 4.35Å; L41-I45 HydrophobicContact CG-CD1 3.97Å; L41-I45 WeakPolarHBondContact O-CG1 3.46Å; L41-I45 PolarHBondContact O-N 2.7Å
42	E	87.4	Confident	86.8	Confident	99 Å²	99	106 Å²	106	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-59	-41.3	177.7	-73.8	175.8	-180	0	0	111.3	R38 A44 I45 A46	R38-E42 HydrophobicContact CG-CG 4.47Å; R38-E42 IonicContact CZ-OE1 3.04Å; R38-E42 IonicContact NE-OE1 2.7Å; R38-E42 PolarHBondContact NE-OE1 3.46Å; R38-E42 IonicContact NH2-OE1 2.82Å; R38-E42 PolarHBondContact NH2-OE1 2.75Å; R38-E42 WeakPolarHBondContact O-CG 3.45Å; R38-E42 PolarHBondContact O-N 3.49Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-A44 PolarHBondContact O-N 3.23Å; E42-I45 PolarHBondContact O-N 3.04Å; E42-A46 WeakPolarHBondContact O-CB 3.45Å; E42-A46 PolarHBondContact O-N 2.95Å
43	R	88.1	Confident	86.2	Confident	140 Å²	140	104.1 Å²	104.1	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-34.5	173.7	-76.2	-178	-73.8	162.3	-7.8	113.1	G39 L41 R47	G39-R43 WeakPolarHBondContact O-CG 3.41Å; G39-R43 PolarHBondContact O-N 3.21Å; G39-R43 PolarHBondContact O-NE 2.71Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.16Å; R43-R47 WeakPolarHBondContact O-CB 3.18Å; R43-R47 WeakPolarHBondContact O-CD 3.44Å; R43-R47 WeakPolarHBondContact O-CG 3.42Å; R43-R47 PolarHBondContact O-N 3.35Å; R43-R47 VanDerWaalsContact O-N 3.14Å
44	A	86.4	Confident	85.4	Confident	53 Å²	53	104.3 Å²	104.3	44%	0.438	50%	0.504	S	S	.	.	H	α-helix	trans	-69.9	-41.7	176.6	0	0	0	0	0	111.5	K40 L41 E42 R47 H48	K40-A44 WeakPolarHBondContact O-CB 3.42Å; K40-A44 PolarHBondContact O-N 3.38Å; L41-A44 WeakPolarHBondContact O-CA 3.31Å; L41-A44 WeakPolarHBondContact O-CB 3.48Å; L41-A44 PolarHBondContact O-N 2.99Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-A44 PolarHBondContact O-N 3.23Å; A44-R47 PolarHBondContact O-N 3.2Å; A44-H48 WeakPolarHBondContact O-CB 3.13Å; A44-H48 PolarHBondContact O-N 3.16Å
45	I	86.4	Confident	84.7	Confident	81 Å²	81	105.1 Å²	105.1	42%	0.415	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-49.8	176	-67.1	168.6	0	0	0	110.3	L41 E42 R47 H48 E49	L41-I45 HydrophobicContact CD1-CD1 4.35Å; L41-I45 HydrophobicContact CG-CD1 3.97Å; L41-I45 WeakPolarHBondContact O-CG1 3.46Å; L41-I45 PolarHBondContact O-N 2.7Å; E42-I45 PolarHBondContact O-N 3.04Å; I45-R47 VanDerWaalsContact C-N 3.27Å; I45-R47 PolarHBondContact O-N 2.91Å; I45-H48 WeakPolarHBondContact O-CA 3.45Å; I45-H48 WeakPolarHBondContact O-CB 3.36Å; I45-H48 PolarHBondContact O-N 3.17Å; I45-E49 HydrophobicContact CG2-CG 4.38Å; I45-E49 PolarHBondContact O-N 3.19Å
46	A	84.7	Confident	83.8	Confident	49 Å²	49	106.6 Å²	106.6	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-58.4	-39.5	178.1	0	0	0	0	0	112.3	E42 H48 V50	E42-A46 WeakPolarHBondContact O-CB 3.45Å; E42-A46 PolarHBondContact O-N 2.95Å; A46-H48 VanDerWaalsContact C-N 3.33Å; A46-H48 PolarHBondContact O-N 3.12Å; A46-V50 WeakPolarHBondContact O-CB 3.4Å; A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.29Å; A46-V50 PolarHBondContact O-N 2.9Å
47	R	84.9	Confident	82.8	Confident	170 Å²	170	108 Å²	108	64%	0.642	51%	0.511	S	S	*	.	H	α-helix	trans	-66	-34.6	173.9	-74.9	171.4	-177.4	-175.4	0.1	112.8	R43 A44 I45 R51	R43-R47 WeakPolarHBondContact O-CB 3.18Å; R43-R47 WeakPolarHBondContact O-CD 3.44Å; R43-R47 WeakPolarHBondContact O-CG 3.42Å; R43-R47 PolarHBondContact O-N 3.35Å; R43-R47 VanDerWaalsContact O-N 3.14Å; A44-R47 PolarHBondContact O-N 3.2Å; I45-R47 VanDerWaalsContact C-N 3.27Å; I45-R47 PolarHBondContact O-N 2.91Å; R47-R51 WeakPolarHBondContact O-CB 3.46Å; R47-R51 VanDerWaalsContact O-CG 3.32Å; R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 3.1Å; R47-R51 VanDerWaalsContact O-N 3.15Å
48	H	83.6	Confident	82.1	Confident	111 Å²	111	109 Å²	109	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-70.9	-45.3	177.7	-168.7	-82.9	0	0	0	111.3	A44 I45 A46 V50 R51 E52	A44-H48 WeakPolarHBondContact O-CB 3.13Å; A44-H48 PolarHBondContact O-N 3.16Å; I45-H48 WeakPolarHBondContact O-CA 3.45Å; I45-H48 WeakPolarHBondContact O-CB 3.36Å; I45-H48 PolarHBondContact O-N 3.17Å; A46-H48 VanDerWaalsContact C-N 3.33Å; A46-H48 PolarHBondContact O-N 3.12Å; H48-V50 PolarHBondContact O-N 3.06Å; H48-R51 PolarHBondContact O-N 3.38Å; H48-E52 IonicContact CE1-OE1 3.77Å; H48-E52 PolarHBondContact CE1-OE1 3.38Å; H48-E52 VanDerWaalsContact CE1-OE1 3.23Å; H48-E52 IonicContact ND1-OE1 3.38Å; H48-E52 PolarHBondContact O-N 3.35Å
49	E	82.9	Confident	81.3	Confident	114 Å²	114	106.4 Å²	106.4	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-45.2	176.3	-72	179	165.4	0	0	111.8	I45 R51 E52 I53	I45-E49 HydrophobicContact CG2-CG 4.38Å; I45-E49 PolarHBondContact O-N 3.19Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.31Å; E49-E52 PolarHBondContact O-N 2.83Å; E49-I53 VanDerWaalsContact O-CG1 3.29Å; E49-I53 WeakPolarHBondContact O-CG1 3.35Å; E49-I53 PolarHBondContact O-N 3.43Å
50	V	82.3	Confident	80.3	Confident	79 Å²	79	109.4 Å²	109.4	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-59.7	-43.2	175.3	172	0	0	0	0	111	A46 H48 I53 E54	A46-V50 WeakPolarHBondContact O-CB 3.4Å; A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.29Å; A46-V50 PolarHBondContact O-N 2.9Å; H48-V50 PolarHBondContact O-N 3.06Å; V50-I53 PolarHBondContact O-N 3.07Å; V50-E54 HydrophobicContact CG1-CG 4.46Å; V50-E54 WeakPolarHBondContact O-CB 3.4Å; V50-E54 WeakPolarHBondContact O-CG 3.36Å; V50-E54 PolarHBondContact O-N 3Å
51	R	81.1	Confident	79.3	Confident	169 Å²	169	105.3 Å²	105.3	64%	0.638	51%	0.51	S	S	*	.	H	α-helix	trans	-64	-40.6	176.5	-80.3	177.6	-178.6	-176.5	0	112.9	R47 H48 E49 Q55	R47-R51 WeakPolarHBondContact O-CB 3.46Å; R47-R51 VanDerWaalsContact O-CG 3.32Å; R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 3.1Å; R47-R51 VanDerWaalsContact O-N 3.15Å; H48-R51 PolarHBondContact O-N 3.38Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.31Å; R51-Q55 WeakPolarHBondContact O-CB 3.41Å; R51-Q55 VanDerWaalsContact O-CG 3.29Å; R51-Q55 WeakPolarHBondContact O-CG 3.25Å; R51-Q55 PolarHBondContact O-N 3.2Å
52	E	80.6	Confident	78.4	Confident	80 Å²	80	104.4 Å²	104.4	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-65.2	-41.7	176.4	-78	-163.7	166.8	0	0	111.8	H48 E49 Q55 R56	H48-E52 IonicContact CE1-OE1 3.77Å; H48-E52 PolarHBondContact CE1-OE1 3.38Å; H48-E52 VanDerWaalsContact CE1-OE1 3.23Å; H48-E52 IonicContact ND1-OE1 3.38Å; H48-E52 PolarHBondContact O-N 3.35Å; E49-E52 PolarHBondContact O-N 2.83Å; E52-Q55 PolarHBondContact O-N 2.9Å; E52-R56 WeakPolarHBondContact O-CG 3.25Å; E52-R56 PolarHBondContact O-N 3.28Å
53	I	74.9	Confident	77.5	Confident	96 Å²	96	106.9 Å²	106.9	49%	0.492	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-45.6	177	-68.8	166.7	0	0	0	110.5	E49 V50 Q55 R56 H57	E49-I53 VanDerWaalsContact O-CG1 3.29Å; E49-I53 WeakPolarHBondContact O-CG1 3.35Å; E49-I53 PolarHBondContact O-N 3.43Å; V50-I53 PolarHBondContact O-N 3.07Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 2.99Å; I53-R56 PolarHBondContact O-N 2.9Å; I53-H57 PolarHBondContact O-CD2 3.4Å; I53-H57 VanDerWaalsContact O-CD2 3.3Å; I53-H57 PolarHBondContact O-N 3.47Å
54	E	74.4	Confident	76.5	Confident	117 Å²	117	107 Å²	107	55%	0.547	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-41.4	175.1	-77.1	178.4	164.8	0	0	112.1	V50 H57 T58	V50-E54 HydrophobicContact CG1-CG 4.46Å; V50-E54 WeakPolarHBondContact O-CB 3.4Å; V50-E54 WeakPolarHBondContact O-CG 3.36Å; V50-E54 PolarHBondContact O-N 3Å; E54-H57 PolarHBondContact O-N 3.26Å; E54-T58 WeakPolarHBondContact O-CB 3.45Å; E54-T58 PolarHBondContact O-N 3.22Å; E54-T58 PolarHBondContact O-OG1 3.46Å
55	Q	73.4	Confident	75.5	Confident	137 Å²	137	113.6 Å²	113.6	64%	0.64	53%	0.53	S	S	*	.	H	α-helix	trans	-64.6	-43.5	176.6	-79.8	-179.4	-16.9	0	0	112.2	R51 E52 I53 T58 Q59	R51-Q55 WeakPolarHBondContact O-CB 3.41Å; R51-Q55 VanDerWaalsContact O-CG 3.29Å; R51-Q55 WeakPolarHBondContact O-CG 3.25Å; R51-Q55 PolarHBondContact O-N 3.2Å; E52-Q55 PolarHBondContact O-N 2.9Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 2.99Å; Q55-T58 PolarHBondContact O-N 3.29Å; Q55-Q59 WeakPolarHBondContact O-CB 3.03Å; Q55-Q59 PolarHBondContact O-N 3.38Å
56	R	69.3	Low	74.5	Confident	161 Å²	161	116 Å²	116	61%	0.608	54%	0.539	S	S	*	.	H	α-helix	trans	-61.8	-47.7	175.4	-73	179.5	-169.7	-173.8	6.8	111.6	E52 I53 T58 Q59 D60	E52-R56 WeakPolarHBondContact O-CG 3.25Å; E52-R56 PolarHBondContact O-N 3.28Å; I53-R56 PolarHBondContact O-N 2.9Å; R56-T58 VanDerWaalsContact C-N 3.3Å; R56-T58 PolarHBondContact O-N 3.16Å; R56-Q59 PolarHBondContact O-N 3.48Å; R56-D60 WeakPolarHBondContact O-CB 3.2Å; R56-D60 PolarHBondContact O-N 2.79Å
57	H	70.7	Confident	73.3	Confident	137 Å²	137	116 Å²	116	63%	0.634	54%	0.54	S	S	*	.	H	α-helix	trans	-60.6	-38.8	176	-84.5	-61.9	0	0	0	113	I53 E54 G61	I53-H57 PolarHBondContact O-CD2 3.4Å; I53-H57 VanDerWaalsContact O-CD2 3.3Å; I53-H57 PolarHBondContact O-N 3.47Å; E54-H57 PolarHBondContact O-N 3.26Å; H57-G61 PolarHBondContact O-N 2.03Å
58	T	75.2	Confident	72.2	Confident	88 Å²	88	110.4 Å²	110.4	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-66.5	-41.7	176.8	-54.2	0	0	0	0	111.2	E54 Q55 R56 L62	E54-T58 WeakPolarHBondContact O-CB 3.45Å; E54-T58 PolarHBondContact O-N 3.22Å; E54-T58 PolarHBondContact O-OG1 3.46Å; Q55-T58 PolarHBondContact O-N 3.29Å; R56-T58 VanDerWaalsContact C-N 3.3Å; R56-T58 PolarHBondContact O-N 3.16Å; T58-L62 HydrophobicContact CG2-CD1 4.17Å; T58-L62 WeakPolarHBondContact O-CB 3.1Å; T58-L62 WeakPolarHBondContact O-CD1 3.4Å; T58-L62 VanDerWaalsContact O-CG 3.28Å; T58-L62 WeakPolarHBondContact O-CG 3.12Å; T58-L62 PolarHBondContact O-N 3.08Å
59	Q	72.1	Confident	71	Confident	109 Å²	109	107.3 Å²	107.3	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-70.5	-38.9	179.5	-168.9	171.3	7.1	0	0	112.6	Q55 R56 L62 R63	Q55-Q59 WeakPolarHBondContact O-CB 3.03Å; Q55-Q59 PolarHBondContact O-N 3.38Å; R56-Q59 PolarHBondContact O-N 3.48Å; Q59-L62 PolarHBondContact O-N 3.02Å; Q59-R63 WeakPolarHBondContact O-CG 3.47Å; Q59-R63 PolarHBondContact O-N 3.17Å
60	D	69.7	Low	70	Confident	86 Å²	86	104.7 Å²	104.7	46%	0.46	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-42.3	174.1	-75.6	-19.9	0	0	0	111.2	R56 L62 R63 E64	R56-D60 WeakPolarHBondContact O-CB 3.2Å; R56-D60 PolarHBondContact O-N 2.79Å; D60-L62 VanDerWaalsContact C-N 3.32Å; D60-L62 PolarHBondContact O-N 3.11Å; D60-R63 PolarHBondContact O-N 3.21Å; D60-E64 PolarHBondContact O-N 2.89Å
61	G	68.9	Low	68.9	Low	26 Å²	26	106.5 Å²	106.5	27%	0.268	53%	0.528	S	S	.	.	H	α-helix	trans	-64.1	-33.2	174	0	0	0	0	0	113.7	H57 R65	H57-G61 PolarHBondContact O-N 2.03Å; G61-R65 WeakPolarHBondContact O-CB 3.39Å; G61-R65 VanDerWaalsContact O-CG 3.28Å; G61-R65 WeakPolarHBondContact O-CG 3.29Å; G61-R65 PolarHBondContact O-N 3.28Å; G61-R65 VanDerWaalsContact O-N 3.16Å
62	L	69.6	Low	68	Low	91 Å²	91	101.8 Å²	101.8	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-67.9	-44.6	171.7	-78.2	161.9	0	0	0	111.4	T58 Q59 D60 R65 E66	T58-L62 HydrophobicContact CG2-CD1 4.17Å; T58-L62 WeakPolarHBondContact O-CB 3.1Å; T58-L62 WeakPolarHBondContact O-CD1 3.4Å; T58-L62 VanDerWaalsContact O-CG 3.28Å; T58-L62 WeakPolarHBondContact O-CG 3.12Å; T58-L62 PolarHBondContact O-N 3.08Å; Q59-L62 PolarHBondContact O-N 3.02Å; D60-L62 VanDerWaalsContact C-N 3.32Å; D60-L62 PolarHBondContact O-N 3.11Å; L62-R65 PolarHBondContact O-N 3.06Å; L62-E66 WeakPolarHBondContact O-CB 3.44Å; L62-E66 WeakPolarHBondContact O-CG 3.43Å; L62-E66 PolarHBondContact O-N 2.79Å
63	R	69.3	Low	67.1	Low	151 Å²	151	103.2 Å²	103.2	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-62.9	-41.8	176.5	-81.7	176.8	166.4	176.8	-3	113	Q59 D60 R65 E66 A67	Q59-R63 WeakPolarHBondContact O-CG 3.47Å; Q59-R63 PolarHBondContact O-N 3.17Å; D60-R63 PolarHBondContact O-N 3.21Å; R63-R65 VanDerWaalsContact C-N 3.32Å; R63-E66 PolarHBondContact O-N 3.27Å; R63-A67 VanDerWaalsContact O-CB 3.31Å; R63-A67 WeakPolarHBondContact O-CB 3.32Å; R63-A67 PolarHBondContact O-N 2.79Å
64	E	66.1	Low	66.9	Low	143 Å²	143	101.4 Å²	101.4	67%	0.668	52%	0.524	S	S	*	.	H	α-helix	trans	-63.2	-40.2	175.2	-77.4	-176.6	166.1	0	0	111.5	D60 A67 A68	D60-E64 PolarHBondContact O-N 2.89Å; E64-A67 PolarHBondContact O-N 3.34Å; E64-A68 VanDerWaalsContact O-CB 3.28Å; E64-A68 WeakPolarHBondContact O-CB 3.24Å; E64-A68 PolarHBondContact O-N 3.05Å
65	R	65.9	Low	66.9	Low	191 Å²	191	99.7 Å²	99.7	72%	0.721	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-41.3	174.6	-77.2	176.3	177.1	-170.1	0.7	112.5	G61 L62 R63 A68 A69	G61-R65 WeakPolarHBondContact O-CB 3.39Å; G61-R65 VanDerWaalsContact O-CG 3.28Å; G61-R65 WeakPolarHBondContact O-CG 3.29Å; G61-R65 PolarHBondContact O-N 3.28Å; G61-R65 VanDerWaalsContact O-N 3.16Å; L62-R65 PolarHBondContact O-N 3.06Å; R63-R65 VanDerWaalsContact C-N 3.32Å; R65-A68 PolarHBondContact O-N 2.91Å; R65-A69 VanDerWaalsContact O-CB 3.24Å; R65-A69 WeakPolarHBondContact O-CB 3.16Å; R65-A69 PolarHBondContact O-N 3.23Å
66	E	65.1	Low	67.3	Low	130 Å²	130	95.9 Å²	95.9	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-65.6	-40.8	175.6	-74.5	175.5	165.4	0	0	111.6	L62 R63 A69 A70	L62-E66 WeakPolarHBondContact O-CB 3.44Å; L62-E66 WeakPolarHBondContact O-CG 3.43Å; L62-E66 PolarHBondContact O-N 2.79Å; R63-E66 PolarHBondContact O-N 3.27Å; E66-A69 PolarHBondContact O-N 3.36Å; E66-A70 VanDerWaalsContact O-CB 3.31Å; E66-A70 WeakPolarHBondContact O-CB 3.36Å; E66-A70 PolarHBondContact O-N 3.21Å
67	A	60.2	Low	68.3	Low	51 Å²	51	90.9 Å²	90.9	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-44.3	174.9	0	0	0	0	0	111.6	R63 E64 A70 L71	R63-A67 VanDerWaalsContact O-CB 3.31Å; R63-A67 WeakPolarHBondContact O-CB 3.32Å; R63-A67 PolarHBondContact O-N 2.79Å; E64-A67 PolarHBondContact O-N 3.34Å; A67-A70 PolarHBondContact O-N 3.45Å; A67-L71 WeakPolarHBondContact O-CB 3.41Å; A67-L71 WeakPolarHBondContact O-CD1 3.3Å; A67-L71 WeakPolarHBondContact O-CG 3.36Å; A67-L71 PolarHBondContact O-N 2.78Å
68	A	60.3	Low	69.5	Low	51 Å²	51	85.6 Å²	85.6	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-42.2	174.4	0	0	0	0	0	111.7	E64 R65 L71 T72	E64-A68 VanDerWaalsContact O-CB 3.28Å; E64-A68 WeakPolarHBondContact O-CB 3.24Å; E64-A68 PolarHBondContact O-N 3.05Å; R65-A68 PolarHBondContact O-N 2.91Å; A68-L71 PolarHBondContact O-N 2.93Å; A68-T72 WeakPolarHBondContact O-CG2 3.49Å; A68-T72 PolarHBondContact O-N 3.43Å; A68-T72 PolarHBondContact O-OG1 2.92Å
69	A	59.8	Low	70.6	Confident	46 Å²	46	81.9 Å²	81.9	38%	0.38	44%	0.439	S	S	.	.	H	α-helix	trans	-66.3	-36.3	176.2	0	0	0	0	0	112.6	R65 E66 T72 N73	R65-A69 VanDerWaalsContact O-CB 3.24Å; R65-A69 WeakPolarHBondContact O-CB 3.16Å; R65-A69 PolarHBondContact O-N 3.23Å; E66-A69 PolarHBondContact O-N 3.36Å; A69-T72 VanDerWaalsContact CA-OG1 3.3Å; A69-T72 WeakPolarHBondContact CA-OG1 3.23Å; A69-T72 PolarHBondContact O-OG1 3.19Å; A69-N73 VanDerWaalsContact O-CB 3.31Å; A69-N73 WeakPolarHBondContact O-CB 3.26Å; A69-N73 PolarHBondContact O-N 3.08Å; A69-N73 PolarHBondContact O-ND2 3.26Å
70	A	60.6	Low	71.9	Confident	59 Å²	59	76.7 Å²	76.7	49%	0.488	41%	0.414	S	S	.	.	H	α-helix	trans	-68.9	-38.6	174.3	0	0	0	0	0	112	E66 A67 N73 S74	E66-A70 VanDerWaalsContact O-CB 3.31Å; E66-A70 WeakPolarHBondContact O-CB 3.36Å; E66-A70 PolarHBondContact O-N 3.21Å; A67-A70 PolarHBondContact O-N 3.45Å; A70-N73 PolarHBondContact O-N 2.91Å; A70-S74 WeakPolarHBondContact O-CB 3.41Å; A70-S74 PolarHBondContact O-N 3.23Å
71	L	60.9	Low	73.3	Confident	118 Å²	118	72.8 Å²	72.8	62%	0.618	39%	0.393	S	S	*	.	H	α-helix	trans	-63.9	-46.6	173.3	-82.7	154.8	0	0	0	111.5	A67 A68 N73 S74 E75	A67-L71 WeakPolarHBondContact O-CB 3.41Å; A67-L71 WeakPolarHBondContact O-CD1 3.3Å; A67-L71 WeakPolarHBondContact O-CG 3.36Å; A67-L71 PolarHBondContact O-N 2.78Å; A68-L71 PolarHBondContact O-N 2.93Å; L71-N73 PolarHBondContact O-N 3.14Å; L71-S74 WeakPolarHBondContact O-CB 3.44Å; L71-S74 PolarHBondContact O-N 3.27Å; L71-E75 PolarHBondContact O-N 3.45Å
72	T	60.6	Low	74.7	Confident	70 Å²	70	71.5 Å²	71.5	43%	0.429	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.9	51.6	0	0	0	0	111.8	A68 A69 S74 E75 D76	A68-T72 WeakPolarHBondContact O-CG2 3.49Å; A68-T72 PolarHBondContact O-N 3.43Å; A68-T72 PolarHBondContact O-OG1 2.92Å; A69-T72 VanDerWaalsContact CA-OG1 3.3Å; A69-T72 WeakPolarHBondContact CA-OG1 3.23Å; A69-T72 PolarHBondContact O-OG1 3.19Å; T72-S74 VanDerWaalsContact C-N 3.27Å; T72-S74 PolarHBondContact O-N 3.11Å; T72-E75 PolarHBondContact O-N 3.32Å; T72-D76 WeakPolarHBondContact O-CB 3.49Å; T72-D76 PolarHBondContact O-N 3.04Å
73	N	62.3	Low	76.1	Confident	109 Å²	109	67.3 Å²	67.3	58%	0.583	36%	0.359	S	S	*	.	H	α-helix	trans	-62.8	-32.1	175.2	-77.6	-26.5	0	0	0	112.8	A69 A70 L71 D77	A69-N73 VanDerWaalsContact O-CB 3.31Å; A69-N73 WeakPolarHBondContact O-CB 3.26Å; A69-N73 PolarHBondContact O-N 3.08Å; A69-N73 PolarHBondContact O-ND2 3.26Å; A70-N73 PolarHBondContact O-N 2.91Å; L71-N73 PolarHBondContact O-N 3.14Å; N73-D77 PolarHBondContact O-N 3.06Å
74	S	70.9	Confident	77.5	Confident	58 Å²	58	61.2 Å²	61.2	41%	0.406	34%	0.335	S	S	.	.	H	α-helix	trans	-71.5	-39.8	176.5	179	0	0	0	0	112.5	A70 L71 T72 R159	A70-S74 WeakPolarHBondContact O-CB 3.41Å; A70-S74 PolarHBondContact O-N 3.23Å; L71-S74 WeakPolarHBondContact O-CB 3.44Å; L71-S74 PolarHBondContact O-N 3.27Å; T72-S74 VanDerWaalsContact C-N 3.27Å; T72-S74 PolarHBondContact O-N 3.11Å; S74-R159 PolarHBondContact O-NH1 3.4Å; S74-R159 PolarHBondContact O-NH2 3.41Å; S74-R159 VanDerWaalsContact O-NH2 3.16Å
75	E	75.4	Confident	79	Confident	82 Å²	82	54.4 Å²	54.4	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-69.9	-35.6	174.5	-70.9	-166.2	164.8	0	0	112.2	L71 T72 D77 L78	L71-E75 PolarHBondContact O-N 3.45Å; T72-E75 PolarHBondContact O-N 3.32Å; E75-D77 PolarHBondContact O-N 3.32Å; E75-L78 HydrophobicContact CB-CD1 4.28Å; E75-L78 HydrophobicContact CG-CD1 4.41Å; E75-L78 WeakPolarHBondContact O-CB 3.41Å; E75-L78 WeakPolarHBondContact O-CG 3.37Å; E75-L78 PolarHBondContact O-N 2.8Å
76	D	81.5	Confident	80.5	Confident	57 Å²	57	46.6 Å²	46.6	31%	0.305	28%	0.278	S	S	.	.	H	α-helix	trans	-70.9	-14.2	179	-71.9	-24.5	0	0	0	113.3	T72 K139 P140 R274	T72-D76 WeakPolarHBondContact O-CB 3.49Å; T72-D76 PolarHBondContact O-N 3.04Å; D76-K139 CarbonylContact O-C 3.58Å; D76-K139 WeakPolarHBondContact O-CB 3.45Å; D76-P140 WeakPolarHBondContact O-CD 3.32Å; D76-P140 VanDerWaalsContact O-N 3.12Å; D76-R274 IonicContact OD1-CZ 2.68Å; D76-R274 IonicContact OD1-NH1 3.83Å; D76-R274 PolarHBondContact OD1-NH1 3.44Å; D76-R274 IonicContact OD1-NH2 3.25Å; D76-R274 PolarHBondContact OD1-NH2 2.91Å
77	D	89.9	Confident	82	Confident	56 Å²	56	41.6 Å²	41.6	30%	0.299	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6	175.3	-177.1	58.4	0	0	0	113.1	N73 E75 K139 R159	N73-D77 PolarHBondContact O-N 3.06Å; E75-D77 PolarHBondContact O-N 3.32Å; D77-K139 WeakPolarHBondContact OD1-CD 3.33Å; D77-K139 IonicContact OD1-NZ 2.71Å; D77-K139 PolarHBondContact OD1-NZ 3.29Å; D77-R159 VanDerWaalsContact OD2-CD 3.3Å; D77-R159 WeakPolarHBondContact OD2-CD 3.49Å; D77-R159 IonicContact OD2-CZ 2.74Å; D77-R159 IonicContact OD2-NH1 3.94Å; D77-R159 PolarHBondContact OD2-NH1 3.43Å
78	L	95.6	Very high	83.7	Confident	25 Å²	25	39.2 Å²	39.2	13%	0.131	23%	0.234	C	C	.	.			trans	-70.2	137.7	178.2	-70.6	170.4	0	0	0	112.3	E75 P140 A141 I162 F275	E75-L78 HydrophobicContact CB-CD1 4.28Å; E75-L78 HydrophobicContact CG-CD1 4.41Å; E75-L78 WeakPolarHBondContact O-CB 3.41Å; E75-L78 WeakPolarHBondContact O-CG 3.37Å; E75-L78 PolarHBondContact O-N 2.8Å; L78-P140 HydrophobicContact CB-CB 4.31Å; L78-P140 CarbonylContact O-C 3.52Å; L78-P140 WeakPolarHBondContact O-CA 3.17Å; L78-P140 WeakPolarHBondContact O-CB 3.39Å; L78-A141 PolarHBondContact O-N 3.47Å; L78-I162 HydrophobicContact CD2-CD1 3.92Å; L78-F275 HydrophobicContact CB-CE2 3.74Å; L78-F275 HydrophobicContact CB-CZ 3.95Å; L78-F275 HydrophobicContact CD1-CE2 4.12Å
79	V	98.4	Very high	85.4	Confident	11 Å²	11	38.1 Å²	38.1	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.8	172.2	-177.2	0	0	0	0	109.9	V132 K139 A141 Y143 P161 I162	V79-V132 HydrophobicContact CG1-CG1 3.9Å; V79-K139 HydrophobicContact CG2-CD 4.13Å; V79-K139 HydrophobicContact CG2-CG 4.02Å; V79-A141 CarbonylContact C-O 3.5Å; V79-A141 WeakPolarHBondContact CA-O 3.28Å; V79-A141 HydrophobicContact CG1-CB 4.2Å; V79-A141 HydrophobicContact CG2-CB 4.29Å; V79-Y143 HydrophobicContact CG1-CD2 3.53Å; V79-Y143 HydrophobicContact CG1-CE2 3.71Å; V79-P161 HydrophobicContact CB-CB 4.29Å; V79-P161 HydrophobicContact CG1-CB 4.26Å; V79-P161 CarbonylContact O-C 3.59Å; V79-P161 WeakPolarHBondContact O-CA 3.19Å; V79-I162 PolarHBondContact O-N 3.27Å
80	I	98.8	Very high	87	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134	170.9	-61.1	177.3	0	0	0	109	A141 F142 Y143 I162 I164 L272 F275 F276	I80-A141 PolarHBondContact N-O 3.07Å; I80-F142 HydrophobicContact CB-CD2 3.8Å; I80-F142 HydrophobicContact CB-CE2 4.35Å; I80-F142 HydrophobicContact CD1-CD2 4.21Å; I80-F142 HydrophobicContact CG2-CD2 3.64Å; I80-F142 HydrophobicContact CG2-CE2 3.67Å; I80-Y143 PolarHBondContact O-N 3.24Å; I80-I162 CarbonylContact C-O 3.28Å; I80-I162 VanDerWaalsContact CA-O 3.3Å; I80-I162 WeakPolarHBondContact CA-O 3.49Å; I80-I162 HydrophobicContact CG1-CB 4.3Å; I80-I164 HydrophobicContact CG2-CD1 3.8Å; I80-I164 HydrophobicContact CG2-CG1 3.81Å; I80-L272 HydrophobicContact CD1-CD1 3.75Å; I80-L272 HydrophobicContact CG1-CD1 4.44Å; I80-F275 HydrophobicContact CD1-CB 3.98Å; I80-F275 HydrophobicContact CD1-CD1 3.78Å; I80-F275 HydrophobicContact CD1-CD2 3.47Å; I80-F275 VanDerWaalsContact CD1-CD2 3.47Å; I80-F275 HydrophobicContact CD1-CE1 4.08Å; I80-F275 HydrophobicContact CD1-CE2 3.8Å; I80-F275 HydrophobicContact CD1-CG 3.45Å; I80-F275 VanDerWaalsContact CD1-CG 3.45Å; I80-F275 HydrophobicContact CD1-CZ 4.08Å; I80-F275 HydrophobicContact CG1-CD1 4.44Å; I80-F275 HydrophobicContact CG1-CD2 4.21Å; I80-F275 HydrophobicContact CG1-CE1 4.25Å; I80-F275 HydrophobicContact CG1-CE2 4.01Å; I80-F275 HydrophobicContact CG1-CG 4.41Å; I80-F275 HydrophobicContact CG1-CZ 4.02Å; I80-F276 HydrophobicContact CD1-CE2 3.7Å; I80-F276 HydrophobicContact CD1-CZ 4.06Å
81	I	98.9	Very high	88.6	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.8	166.2	-63.3	178.7	0	0	0	108.7	N83 F128 V132 Y143 F152 P161 I162 Y163 I164	I81-N83 HydrophobicContact CG2-CB 4.13Å; I81-F128 HydrophobicContact CD1-CE1 4.12Å; I81-F128 HydrophobicContact CD1-CZ 4.12Å; I81-V132 HydrophobicContact CD1-CG1 4.39Å; I81-Y143 CarbonylContact C-O 3.53Å; I81-Y143 WeakPolarHBondContact CA-O 3.32Å; I81-F152 HydrophobicContact CD1-CE2 3.62Å; I81-F152 HydrophobicContact CD1-CZ 3.58Å; I81-P161 HydrophobicContact CD1-CB 3.79Å; I81-P161 HydrophobicContact CD1-CG 3.54Å; I81-P161 HydrophobicContact CG1-CB 3.89Å; I81-P161 HydrophobicContact CG1-CG 4.2Å; I81-I162 PolarHBondContact N-O 2.81Å; I81-Y163 HydrophobicContact CB-CD1 4.07Å; I81-Y163 HydrophobicContact CB-CE1 3.84Å; I81-Y163 HydrophobicContact CB-CE2 4.44Å; I81-Y163 HydrophobicContact CB-CG 4.48Å; I81-Y163 HydrophobicContact CD1-CE2 4.14Å; I81-Y163 HydrophobicContact CG2-CD1 3.95Å; I81-Y163 HydrophobicContact CG2-CE1 3.39Å; I81-Y163 WeakPolarHBondContact O-CA 3.24Å; I81-I164 PolarHBondContact O-N 3.44Å
82	Y	98.9	Very high	90.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	86.6	168.1	175.9	-139	0	0	0	109.8	R84 S90 F93 F142 Y143 H144 G145 I164 N165	Y82-R84 HydrophobicContact CD1-CB 3.93Å; Y82-R84 HydrophobicContact CD2-CB 4.23Å; Y82-R84 HydrophobicContact CE1-CB 3.48Å; Y82-R84 VanDerWaalsContact CE1-CB 3.48Å; Y82-R84 HydrophobicContact CE1-CG 4.42Å; Y82-R84 HydrophobicContact CE2-CB 3.83Å; Y82-R84 HydrophobicContact CG-CB 4.29Å; Y82-R84 VanDerWaalsContact CZ-CB 3.45Å; Y82-R84 PolarHBondContact O-N 3.11Å; Y82-S90 VanDerWaalsContact OH-CA 3.23Å; Y82-S90 WeakPolarHBondContact OH-CA 3.38Å; Y82-S90 WeakPolarHBondContact OH-CB 3.23Å; Y82-F93 AromaticContact CD1-CD1 3.87Å; Y82-F93 HydrophobicContact CD1-CD1 3.87Å; Y82-F93 HydrophobicContact CD1-CE1 4.06Å; Y82-F93 AromaticContact CE1-CD1 3.55Å; Y82-F93 HydrophobicContact CE1-CD1 3.55Å; Y82-F93 HydrophobicContact CE1-CE1 4.17Å; Y82-F93 HydrophobicContact CE2-CD1 4.43Å; Y82-F93 HydrophobicContact CG-CD1 4.43Å; Y82-F93 HydrophobicContact CG-CE1 4.25Å; Y82-F93 AromaticContact CZ-CD1 3.84Å; Y82-F142 VanDerWaalsContact CB-CZ 3.46Å; Y82-F142 HydrophobicContact CD1-CE1 4.18Å; Y82-F142 AromaticContact CD1-CZ 3.89Å; Y82-F142 HydrophobicContact CD1-CZ 3.89Å; Y82-F142 HydrophobicContact CG-CZ 4.01Å; Y82-Y143 PolarHBondContact N-O 3.02Å; Y82-H144 HydrophobicContact CD1-CB 3.98Å; Y82-H144 HydrophobicContact CG-CB 4.46Å; Y82-H144 WeakPolarHBondContact O-CA 3.39Å; Y82-H144 WeakPolarHBondContact O-CB 3.43Å; Y82-G145 PolarHBondContact O-N 3.38Å; Y82-I164 HydrophobicContact CD2-CG1 4.34Å; Y82-N165 WeakPolarHBondContact CE2-OD1 3.38Å
83	N	98.7	Very high	91.9	Very high	3 Å²	3	25 Å²	25	2%	0.016	14%	0.14	C	C	.	.			trans	-79.1	65.9	-178.9	76.1	-64.9	0	0	0	111	I81 V85 G145 V147 F149 Y163 N165 F224 Y252	I81-N83 HydrophobicContact CG2-CB 4.13Å; N83-V85 PolarHBondContact O-N 2.75Å; N83-G145 CarbonylContact C-O 3.56Å; N83-G145 VanDerWaalsContact C-O 3.28Å; N83-G145 WeakPolarHBondContact CA-O 3.37Å; N83-V147 VanDerWaalsContact CB-O 3.27Å; N83-V147 WeakPolarHBondContact CB-O 3.35Å; N83-V147 PolarHBondContact ND2-O 2.92Å; N83-F149 PolarHBondContact ND2-N 2.87Å; N83-Y163 HydrophobicContact CB-CE1 4.25Å; N83-N165 PolarHBondContact O-ND2 3Å; N83-N165 PolarHBondContact OD1-ND2 3.15Å; N83-F224 PolarHBondContact ND2-O 3.07Å; N83-Y252 VanDerWaalsContact CG-OH 3.28Å; N83-Y252 PolarHBondContact ND2-OH 3.12Å; N83-Y252 VanDerWaalsContact ND2-OH 3.11Å; N83-Y252 WeakPolarHBondContact OD1-CE1 3.43Å; N83-Y252 PolarHBondContact OD1-OH 3.33Å
84	R	98.1	Very high	93.6	Very high	22 Å²	22	20 Å²	20	8%	0.083	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-55.7	126.8	-164.2	55	-174.5	-70.9	-178.6	-0.4	114.7	Y82 S90 T91 T94 G145 H146	Y82-R84 HydrophobicContact CD1-CB 3.93Å; Y82-R84 HydrophobicContact CD2-CB 4.23Å; Y82-R84 HydrophobicContact CE1-CB 3.48Å; Y82-R84 VanDerWaalsContact CE1-CB 3.48Å; Y82-R84 HydrophobicContact CE1-CG 4.42Å; Y82-R84 HydrophobicContact CE2-CB 3.83Å; Y82-R84 HydrophobicContact CG-CB 4.29Å; Y82-R84 VanDerWaalsContact CZ-CB 3.45Å; Y82-R84 PolarHBondContact O-N 3.11Å; R84-S90 VanDerWaalsContact NE-CB 3.33Å; R84-S90 PolarHBondContact NE-OG 3.17Å; R84-S90 VanDerWaalsContact NE-OG 3.13Å; R84-S90 PolarHBondContact NH2-O 2.64Å; R84-S90 PolarHBondContact NH2-OG 3.27Å; R84-T91 VanDerWaalsContact NH2-N 3.16Å; R84-T91 PolarHBondContact NH2-OG1 2.77Å; R84-T94 PolarHBondContact NH1-OG1 2.61Å; R84-G145 WeakPolarHBondContact CG-O 3.43Å; R84-G145 PolarHBondContact N-O 3.44Å; R84-H146 PolarHBondContact O-ND1 2.79Å
85	V	98.4	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-71	140.7	168.9	-179	0	0	0	0	110.5	N83 T88 S90 L220 Q221 F224	N83-V85 PolarHBondContact O-N 2.75Å; V85-T88 HydrophobicContact CB-CG2 3.9Å; V85-T88 HydrophobicContact CG1-CG2 3.75Å; V85-T88 PolarHBondContact O-OG1 3.1Å; V85-S90 PolarHBondContact O-OG 3.25Å; V85-L220 HydrophobicContact CG1-CD2 4.39Å; V85-Q221 HydrophobicContact CG1-CG 4.13Å; V85-F224 HydrophobicContact CG2-CB 4.07Å; V85-F224 HydrophobicContact CG2-CD1 3.86Å; V85-F224 HydrophobicContact CG2-CG 4.06Å
86	P	97.4	Very high	95.9	Very high	28 Å²	28	14.6 Å²	14.6	18%	0.182	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	137.5	172.9	-24.8	34.3	0	0	0	113.2	L220	P86-L220 HydrophobicContact CG-CD2 4.34Å
87	K	95.8	Very high	96.6	Very high	25 Å²	25	11.9 Å²	11.9	11%	0.109	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	26.3	171.7	-50.5	-58.9	-63.2	-176.4	0	116.2	R173 S176 Y177 F180 T294	K87-R173 HydrophobicContact CB-CG 4.29Å; K87-S176 WeakPolarHBondContact CE-O 3.45Å; K87-S176 WeakPolarHBondContact CE-OG 3.27Å; K87-Y177 HydrophobicContact CG-CD2 3.96Å; K87-Y177 HydrophobicContact CG-CG 4.46Å; K87-F180 HydrophobicContact CD-CB 4.38Å; K87-F180 HydrophobicContact CD-CD1 4.37Å; K87-F180 HydrophobicContact CD-CG 4.28Å; K87-T294 PolarHBondContact NZ-OG1 3.16Å; K87-T294 VanDerWaalsContact NZ-OG1 3.08Å
88	T	97.2	Very high	97	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-110	42.5	176.7	58.9	0	0	0	0	112.6	V85 S90 L166 R168 R173 T258	V85-T88 HydrophobicContact CB-CG2 3.9Å; V85-T88 HydrophobicContact CG1-CG2 3.75Å; V85-T88 PolarHBondContact O-OG1 3.1Å; T88-S90 PolarHBondContact O-N 3.39Å; T88-L166 VanDerWaalsContact CB-O 3.28Å; T88-L166 WeakPolarHBondContact CB-O 3.48Å; T88-L166 PolarHBondContact OG1-O 3.31Å; T88-R168 HydrophobicContact CG2-CB 3.85Å; T88-R173 HydrophobicContact CG2-CG 4.33Å; T88-T258 VanDerWaalsContact C-OG1 3.24Å; T88-T258 VanDerWaalsContact CA-OG1 3.24Å; T88-T258 WeakPolarHBondContact CA-OG1 3.48Å; T88-T258 WeakPolarHBondContact CB-OG1 3.4Å; T88-T258 PolarHBondContact O-OG1 2.9Å
89	A	95.3	Very high	97.1	Very high	29 Å²	29	15.9 Å²	15.9	24%	0.24	8%	0.082	C	C	.	.	S	Bend	trans	55.3	15.1	-172	0	0	0	0	0	115.9	T91 S92 F93 T258 L261	A89-T91 PolarHBondContact O-N 3.44Å; A89-S92 WeakPolarHBondContact O-CB 3.26Å; A89-S92 PolarHBondContact O-N 3.28Å; A89-F93 PolarHBondContact O-N 2.95Å; A89-T258 HydrophobicContact CB-CG2 3.77Å; A89-L261 HydrophobicContact CB-CD2 3.92Å
90	S	94.6	Very high	97	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.028	8%	0.082	C	C	.	.	H	α-helix	trans	-57	-23.2	-176.8	57.4	0	0	0	0	115.3	Y82 R84 V85 T88 T94	Y82-S90 VanDerWaalsContact OH-CA 3.23Å; Y82-S90 WeakPolarHBondContact OH-CA 3.38Å; Y82-S90 WeakPolarHBondContact OH-CB 3.23Å; R84-S90 VanDerWaalsContact NE-CB 3.33Å; R84-S90 PolarHBondContact NE-OG 3.17Å; R84-S90 VanDerWaalsContact NE-OG 3.13Å; R84-S90 PolarHBondContact NH2-O 2.64Å; R84-S90 PolarHBondContact NH2-OG 3.27Å; V85-S90 PolarHBondContact O-OG 3.25Å; T88-S90 PolarHBondContact O-N 3.39Å; S90-T94 VanDerWaalsContact O-CB 3.3Å; S90-T94 WeakPolarHBondContact O-CB 3.38Å; S90-T94 PolarHBondContact O-N 3.06Å; S90-T94 VanDerWaalsContact O-N 3.09Å; S90-T94 PolarHBondContact O-OG1 3.36Å
91	T	93.8	Very high	97	Very high	9 Å²	9	17.1 Å²	17.1	6%	0.055	9%	0.09	C	C	.	.	H	α-helix	trans	-74	-44	175.3	-55.9	0	0	0	0	111.5	R84 A89 N95 L291 R292	R84-T91 VanDerWaalsContact NH2-N 3.16Å; R84-T91 PolarHBondContact NH2-OG1 2.77Å; A89-T91 PolarHBondContact O-N 3.44Å; T91-N95 PolarHBondContact O-N 3.13Å; T91-N95 VanDerWaalsContact O-N 3.12Å; T91-N95 PolarHBondContact O-ND2 2.77Å; T91-L291 HydrophobicContact CG2-CB 4.05Å; T91-R292 HydrophobicContact CG2-CB 4.03Å; T91-R292 WeakPolarHBondContact OG1-CD 3.48Å; T91-R292 PolarHBondContact OG1-NE 2.69Å
92	S	93.8	Very high	96.9	Very high	5 Å²	5	19.8 Å²	19.8	4%	0.035	12%	0.119	C	C	.	.	H	α-helix	trans	-57	-54.3	174	-66.1	0	0	0	0	110.5	A89 T94 N95 I96 S289 L291	A89-S92 WeakPolarHBondContact O-CB 3.26Å; A89-S92 PolarHBondContact O-N 3.28Å; S92-T94 PolarHBondContact O-N 2.86Å; S92-N95 PolarHBondContact O-N 2.99Å; S92-N95 VanDerWaalsContact O-N 3.12Å; S92-I96 PolarHBondContact O-N 2.75Å; S92-S289 WeakPolarHBondContact CB-O 3.31Å; S92-S289 PolarHBondContact OG-O 2.91Å; S92-L291 PolarHBondContact OG-N 3.36Å
93	F	97.6	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-44.1	-177.6	179.9	-113.4	0	0	0	112.9	Y82 A89 N95 I96 F142 I164 L166 L261 F264 V265 L268 F276	Y82-F93 AromaticContact CD1-CD1 3.87Å; Y82-F93 HydrophobicContact CD1-CD1 3.87Å; Y82-F93 HydrophobicContact CD1-CE1 4.06Å; Y82-F93 AromaticContact CE1-CD1 3.55Å; Y82-F93 HydrophobicContact CE1-CD1 3.55Å; Y82-F93 HydrophobicContact CE1-CE1 4.17Å; Y82-F93 HydrophobicContact CE2-CD1 4.43Å; Y82-F93 HydrophobicContact CG-CD1 4.43Å; Y82-F93 HydrophobicContact CG-CE1 4.25Å; Y82-F93 AromaticContact CZ-CD1 3.84Å; A89-F93 PolarHBondContact O-N 2.95Å; F93-N95 VanDerWaalsContact C-N 3.29Å; F93-N95 PolarHBondContact O-N 3.27Å; F93-I96 WeakPolarHBondContact O-CB 3.33Å; F93-I96 PolarHBondContact O-N 2.85Å; F93-F142 HydrophobicContact CE1-CE2 4.38Å; F93-F142 AromaticContact CE1-CZ 3.94Å; F93-F142 HydrophobicContact CE1-CZ 3.94Å; F93-I164 HydrophobicContact CE1-CD1 3.79Å; F93-I164 HydrophobicContact CZ-CD1 3.77Å; F93-L166 HydrophobicContact CB-CD1 3.81Å; F93-L166 HydrophobicContact CD1-CD1 4.08Å; F93-L166 HydrophobicContact CD2-CD1 4.45Å; F93-L166 HydrophobicContact CG-CD1 3.85Å; F93-L261 HydrophobicContact CB-CD1 4.35Å; F93-L261 HydrophobicContact CD2-CD1 4.44Å; F93-F264 HydrophobicContact CD1-CE1 4.46Å; F93-F264 HydrophobicContact CD2-CD1 4.34Å; F93-F264 HydrophobicContact CD2-CE1 4.08Å; F93-F264 HydrophobicContact CE1-CE1 4.06Å; F93-F264 HydrophobicContact CE2-CD1 4.11Å; F93-F264 AromaticContact CE2-CE1 3.66Å; F93-F264 HydrophobicContact CE2-CE1 3.66Å; F93-F264 HydrophobicContact CG-CE1 4.48Å; F93-F264 AromaticContact CZ-CE1 3.65Å; F93-F264 HydrophobicContact CZ-CE1 3.65Å; F93-F264 HydrophobicContact CZ-CZ 4.4Å; F93-V265 HydrophobicContact CD2-CG2 4.02Å; F93-V265 HydrophobicContact CE2-CG2 4.26Å; F93-L268 HydrophobicContact CE2-CD1 3.78Å; F93-L268 HydrophobicContact CZ-CD1 3.51Å; F93-F276 HydrophobicContact CE2-CE1 4.02Å; F93-F276 AromaticContact CZ-CE1 3.72Å; F93-F276 HydrophobicContact CZ-CE1 3.72Å; F93-F276 AromaticContact CZ-CZ 3.98Å; F93-F276 HydrophobicContact CZ-CZ 3.98Å
94	T	97.4	Very high	96.8	Very high	2 Å²	2	28 Å²	28	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-32.6	178.4	-52.9	0	0	0	0	112.4	R84 S90 S92 I96 A97 Y98 H144	R84-T94 PolarHBondContact NH1-OG1 2.61Å; S90-T94 VanDerWaalsContact O-CB 3.3Å; S90-T94 WeakPolarHBondContact O-CB 3.38Å; S90-T94 PolarHBondContact O-N 3.06Å; S90-T94 VanDerWaalsContact O-N 3.09Å; S90-T94 PolarHBondContact O-OG1 3.36Å; S92-T94 PolarHBondContact O-N 2.86Å; T94-I96 VanDerWaalsContact C-N 3.28Å; T94-I96 PolarHBondContact O-N 2.88Å; T94-A97 WeakPolarHBondContact O-CB 3.24Å; T94-A97 PolarHBondContact O-N 2.88Å; T94-A97 VanDerWaalsContact O-N 3.14Å; T94-Y98 HydrophobicContact CG2-CD2 3.84Å; T94-Y98 HydrophobicContact CG2-CE2 3.58Å; T94-Y98 WeakPolarHBondContact O-CD2 3.4Å; T94-Y98 PolarHBondContact O-N 2.97Å; T94-Y98 VanDerWaalsContact O-N 3.07Å; T94-H144 WeakPolarHBondContact CG2-CE1 3.42Å; T94-H144 WeakPolarHBondContact CG2-ND1 3.4Å; T94-H144 WeakPolarHBondContact CG2-NE2 3.35Å
95	N	96.3	Very high	96.7	Very high	18 Å²	18	33.6 Å²	33.6	10%	0.096	18%	0.182	C	C	.	.	H	α-helix	trans	-67.7	-29.1	178.2	-84.7	-91.5	0	0	0	112.1	T91 S92 F93 A97 Y98 D99 L291	T91-N95 PolarHBondContact O-N 3.13Å; T91-N95 VanDerWaalsContact O-N 3.12Å; T91-N95 PolarHBondContact O-ND2 2.77Å; S92-N95 PolarHBondContact O-N 2.99Å; S92-N95 VanDerWaalsContact O-N 3.12Å; F93-N95 VanDerWaalsContact C-N 3.29Å; F93-N95 PolarHBondContact O-N 3.27Å; N95-A97 VanDerWaalsContact C-N 3.3Å; N95-A97 PolarHBondContact O-N 3.34Å; N95-Y98 PolarHBondContact O-N 3.47Å; N95-D99 WeakPolarHBondContact O-CB 3.49Å; N95-D99 PolarHBondContact O-N 2.85Å; N95-L291 HydrophobicContact CB-CD1 3.73Å; N95-L291 VanDerWaalsContact CG-CD1 3.41Å; N95-L291 VanDerWaalsContact ND2-CD1 3.33Å; N95-L291 WeakPolarHBondContact ND2-CD1 3.49Å
96	I	97.2	Very high	96.7	Very high	9 Å²	9	34 Å²	34	5%	0.046	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-46.7	169.7	-63.2	171.5	0	0	0	109.7	S92 F93 T94 Y98 D99 L100 V265 A279 L282 Y283	S92-I96 PolarHBondContact O-N 2.75Å; F93-I96 WeakPolarHBondContact O-CB 3.33Å; F93-I96 PolarHBondContact O-N 2.85Å; T94-I96 VanDerWaalsContact C-N 3.28Å; T94-I96 PolarHBondContact O-N 2.88Å; I96-Y98 PolarHBondContact O-N 3.41Å; I96-D99 PolarHBondContact O-N 3.48Å; I96-L100 HydrophobicContact CG2-CD1 3.73Å; I96-L100 HydrophobicContact CG2-CG 4.37Å; I96-L100 WeakPolarHBondContact O-CB 3.35Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 3.43Å; I96-V265 HydrophobicContact CD1-CG1 4.31Å; I96-V265 HydrophobicContact CD1-CG2 3.83Å; I96-A279 HydrophobicContact CG2-CB 3.67Å; I96-L282 HydrophobicContact CG2-CD2 4.35Å; I96-Y283 HydrophobicContact CD1-CD2 4.05Å
97	A	97.8	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-44.8	177.8	0	0	0	0	0	111.8	T94 N95 D99 L100 C101 Y106 V108 F142	T94-A97 WeakPolarHBondContact O-CB 3.24Å; T94-A97 PolarHBondContact O-N 2.88Å; T94-A97 VanDerWaalsContact O-N 3.14Å; N95-A97 VanDerWaalsContact C-N 3.3Å; N95-A97 PolarHBondContact O-N 3.34Å; A97-D99 PolarHBondContact O-N 2.94Å; A97-L100 PolarHBondContact O-N 3.45Å; A97-C101 VanDerWaalsContact O-CB 3.26Å; A97-C101 WeakPolarHBondContact O-CB 3.31Å; A97-C101 PolarHBondContact O-N 3.41Å; A97-Y106 VanDerWaalsContact CA-OH 3.25Å; A97-Y106 WeakPolarHBondContact CA-OH 3.43Å; A97-Y106 PolarHBondContact O-OH 3.4Å; A97-V108 HydrophobicContact CB-CG2 4.14Å; A97-F142 HydrophobicContact CB-CD1 4.05Å; A97-F142 HydrophobicContact CB-CE1 4.08Å; A97-F142 HydrophobicContact CB-CG 4.28Å; A97-F142 HydrophobicContact CB-CZ 4.37Å
98	Y	97.8	Very high	96.9	Very high	95 Å²	95	36.4 Å²	36.4	37%	0.373	19%	0.194	S	C	.	.	H	α-helix	trans	-62.5	-41.2	176.2	-81	-66.4	0	0	0	113.6	T94 N95 I96 L100 C101 V108 H144	T94-Y98 HydrophobicContact CG2-CD2 3.84Å; T94-Y98 HydrophobicContact CG2-CE2 3.58Å; T94-Y98 WeakPolarHBondContact O-CD2 3.4Å; T94-Y98 PolarHBondContact O-N 2.97Å; T94-Y98 VanDerWaalsContact O-N 3.07Å; N95-Y98 PolarHBondContact O-N 3.47Å; I96-Y98 PolarHBondContact O-N 3.41Å; Y98-L100 VanDerWaalsContact C-N 3.31Å; Y98-C101 PolarHBondContact O-SG 3.29Å; Y98-V108 HydrophobicContact CD1-CB 3.82Å; Y98-V108 HydrophobicContact CD1-CG1 3.73Å; Y98-V108 HydrophobicContact CD1-CG2 4.37Å; Y98-V108 HydrophobicContact CD2-CG1 4.12Å; Y98-V108 HydrophobicContact CE1-CB 3.65Å; Y98-V108 HydrophobicContact CE1-CG1 3.36Å; Y98-V108 HydrophobicContact CE2-CG1 3.8Å; Y98-V108 HydrophobicContact CG-CB 4.49Å; Y98-V108 HydrophobicContact CG-CG1 4.09Å; Y98-H144 AromaticContact CE2-NE2 3.61Å; Y98-H144 AromaticContact CZ-NE2 3.62Å; Y98-H144 PolarHBondContact OH-NE2 3.46Å
99	D	96.9	Very high	96.9	Very high	70 Å²	70	37.9 Å²	37.9	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-72.7	-26.8	-178.3	-74.3	-17.1	0	0	0	111.4	N95 I96 A97 L282 K288	N95-D99 WeakPolarHBondContact O-CB 3.49Å; N95-D99 PolarHBondContact O-N 2.85Å; I96-D99 PolarHBondContact O-N 3.48Å; A97-D99 PolarHBondContact O-N 2.94Å; D99-L282 HydrophobicContact CB-CD2 3.74Å; D99-K288 IonicContact OD1-NZ 2.98Å; D99-K288 PolarHBondContact OD1-NZ 3.11Å; D99-K288 WeakPolarHBondContact OD2-CD 3.43Å; D99-K288 IonicContact OD2-NZ 3Å; D99-K288 PolarHBondContact OD2-NZ 3.11Å
100	L	97.6	Very high	97.1	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-93	-23.1	179.8	-66.8	179.7	0	0	0	114.7	I96 A97 Y98 G102 K103 N104 A279 L282	I96-L100 HydrophobicContact CG2-CD1 3.73Å; I96-L100 HydrophobicContact CG2-CG 4.37Å; I96-L100 WeakPolarHBondContact O-CB 3.35Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 3.43Å; A97-L100 PolarHBondContact O-N 3.45Å; Y98-L100 VanDerWaalsContact C-N 3.31Å; L100-G102 VanDerWaalsContact C-N 3.29Å; L100-G102 PolarHBondContact O-N 3.06Å; L100-K103 PolarHBondContact O-N 3.01Å; L100-N104 WeakPolarHBondContact O-CB 3.46Å; L100-N104 PolarHBondContact O-N 3.17Å; L100-A279 HydrophobicContact CD1-CB 3.73Å; L100-L282 HydrophobicContact CD2-CD2 4.16Å; L100-L282 HydrophobicContact CG-CD2 4.1Å
101	C	97.6	Very high	97.2	Very high	26 Å²	26	42 Å²	42	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-35.6	-168.3	72.7	0	0	0	0	114.3	A97 Y98 H105 Y106 V108	A97-C101 VanDerWaalsContact O-CB 3.26Å; A97-C101 WeakPolarHBondContact O-CB 3.31Å; A97-C101 PolarHBondContact O-N 3.41Å; Y98-C101 PolarHBondContact O-SG 3.29Å; C101-H105 PolarHBondContact O-N 2.6Å; C101-Y106 HydrophobicContact CB-CD1 4.32Å; C101-Y106 HydrophobicContact CB-CD2 3.79Å; C101-Y106 HydrophobicContact CB-CE1 4.08Å; C101-Y106 HydrophobicContact CB-CE2 3.51Å; C101-Y106 HydrophobicContact CB-CG 4.18Å; C101-Y106 WeakPolarHBondContact CB-O 3.43Å; C101-Y106 PolarHBondContact O-N 2.88Å; C101-Y106 VanDerWaalsContact O-N 3.14Å; C101-V108 HydrophobicContact CB-CG2 3.6Å
102	G	97.3	Very high	97.3	Very high	59 Å²	59	47.3 Å²	47.3	61%	0.608	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-40.8	175.6	0	0	0	0	0	113.1	L100	L100-G102 VanDerWaalsContact C-N 3.29Å; L100-G102 PolarHBondContact O-N 3.06Å
103	K	97.3	Very high	97.4	Very high	160 Å²	160	48.1 Å²	48.1	70%	0.696	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-35.3	-179.8	-176.5	178.5	178.4	-176.3	0	112.4	L100	L100-K103 PolarHBondContact O-N 3.01Å
104	N	97.2	Very high	97.1	Very high	15 Å²	15	54.1 Å²	54.1	8%	0.08	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	6.8	-175	-68.6	-1.8	0	0	0	112.7	L100 Y106 R274 F275 R277	L100-N104 WeakPolarHBondContact O-CB 3.46Å; L100-N104 PolarHBondContact O-N 3.17Å; N104-Y106 HydrophobicContact CB-CD1 3.72Å; N104-Y106 HydrophobicContact CB-CE1 3.62Å; N104-R274 WeakPolarHBondContact CB-O 3.34Å; N104-R274 PolarHBondContact O-NE 3Å; N104-R274 VanDerWaalsContact O-NE 3.11Å; N104-F275 PolarHBondContact ND2-O 3.4Å; N104-F275 VanDerWaalsContact ND2-O 3.13Å; N104-R277 PolarHBondContact ND2-N 3.26Å; N104-R277 PolarHBondContact ND2-O 3.16Å
105	H	96.6	Very high	96.8	Very high	140 Å²	140	63.6 Å²	63.6	65%	0.648	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	58.6	173.4	-55.8	-65.7	0	0	0	114.2	C101 R274	C101-H105 PolarHBondContact O-N 2.6Å; H105-R274 PolarHBondContact O-NH2 3.12Å
106	Y	97.9	Very high	96.6	Very high	9 Å²	9	67.6 Å²	67.6	4%	0.035	35%	0.348	C	S	.	.			trans	-142.8	170	171.9	69.2	-94.1	0	0	0	110.9	A97 C101 N104 V108 P140 F142 F275	A97-Y106 VanDerWaalsContact CA-OH 3.25Å; A97-Y106 WeakPolarHBondContact CA-OH 3.43Å; A97-Y106 PolarHBondContact O-OH 3.4Å; C101-Y106 HydrophobicContact CB-CD1 4.32Å; C101-Y106 HydrophobicContact CB-CD2 3.79Å; C101-Y106 HydrophobicContact CB-CE1 4.08Å; C101-Y106 HydrophobicContact CB-CE2 3.51Å; C101-Y106 HydrophobicContact CB-CG 4.18Å; C101-Y106 WeakPolarHBondContact CB-O 3.43Å; C101-Y106 PolarHBondContact O-N 2.88Å; C101-Y106 VanDerWaalsContact O-N 3.14Å; N104-Y106 HydrophobicContact CB-CD1 3.72Å; N104-Y106 HydrophobicContact CB-CE1 3.62Å; Y106-V108 HydrophobicContact CD2-CG2 4.12Å; Y106-V108 HydrophobicContact CE2-CG2 3.56Å; Y106-P140 CarbonylContact C-O 3.54Å; Y106-P140 WeakPolarHBondContact CA-O 3.38Å; Y106-P140 VanDerWaalsContact CB-O 3.27Å; Y106-P140 WeakPolarHBondContact CB-O 3.37Å; Y106-F142 HydrophobicContact CD2-CB 4.23Å; Y106-F142 HydrophobicContact CE2-CB 4.03Å; Y106-F275 HydrophobicContact CD1-CD1 4.09Å; Y106-F275 AromaticContact CD2-CD1 3.69Å; Y106-F275 HydrophobicContact CD2-CD1 3.69Å; Y106-F275 AromaticContact CD2-CE1 3.97Å; Y106-F275 HydrophobicContact CD2-CE1 3.97Å; Y106-F275 HydrophobicContact CE1-CB 4.32Å; Y106-F275 HydrophobicContact CE1-CD1 4.24Å; Y106-F275 WeakPolarHBondContact CE1-O 3.5Å; Y106-F275 AromaticContact CE2-CD1 3.88Å; Y106-F275 HydrophobicContact CE2-CD1 3.88Å; Y106-F275 AromaticContact CG-CD1 3.8Å; Y106-F275 HydrophobicContact CG-CD1 3.8Å; Y106-F275 HydrophobicContact CG-CE1 4.05Å; Y106-F275 PolarHBondContact OH-O 2.81Å; Y106-F275 VanDerWaalsContact OH-O 3.09Å
107	H	98.6	Very high	96.5	Very high	78 Å²	78	71.1 Å²	71.1	36%	0.361	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.8	-178.7	-58.2	81.6	0	0	0	111.9	L109 E137 M138 P140 A141 F142	H107-L109 HydrophobicContact CB-CD1 3.85Å; H107-E137 PolarHBondContact CE1-O 3.44Å; H107-M138 WeakPolarHBondContact CB-O 3.41Å; H107-M138 HydrophobicContact CB-SD 4.17Å; H107-M138 VanDerWaalsContact ND1-C 3.33Å; H107-M138 PolarHBondContact ND1-O 3.35Å; H107-P140 PolarHBondContact N-O 3.36Å; H107-A141 CarbonylContact O-C 3.54Å; H107-A141 WeakPolarHBondContact O-CA 3.48Å; H107-F142 PolarHBondContact O-N 3.24Å
108	V	98.8	Very high	96.5	Very high	25 Å²	25	72.2 Å²	72.2	15%	0.152	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.3	174.9	-178.4	0	0	0	0	109.8	A97 Y98 C101 Y106 F142	A97-V108 HydrophobicContact CB-CG2 4.14Å; Y98-V108 HydrophobicContact CD1-CB 3.82Å; Y98-V108 HydrophobicContact CD1-CG1 3.73Å; Y98-V108 HydrophobicContact CD1-CG2 4.37Å; Y98-V108 HydrophobicContact CD2-CG1 4.12Å; Y98-V108 HydrophobicContact CE1-CB 3.65Å; Y98-V108 HydrophobicContact CE1-CG1 3.36Å; Y98-V108 HydrophobicContact CE2-CG1 3.8Å; Y98-V108 HydrophobicContact CG-CB 4.49Å; Y98-V108 HydrophobicContact CG-CG1 4.09Å; C101-V108 HydrophobicContact CB-CG2 3.6Å; Y106-V108 HydrophobicContact CD2-CG2 4.12Å; Y106-V108 HydrophobicContact CE2-CG2 3.56Å; V108-F142 WeakPolarHBondContact CA-O 3.43Å; V108-F142 HydrophobicContact CG1-CD1 4.15Å; V108-F142 HydrophobicContact CG2-CB 4.3Å
109	L	98.5	Very high	96.5	Very high	32 Å²	32	70 Å²	70	17%	0.168	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.5	-174.4	-59.8	94.9	0	0	0	110.8	H107 W135 M138 A141 F142 Y143 H144	H107-L109 HydrophobicContact CB-CD1 3.85Å; L109-W135 HydrophobicContact CD2-CZ3 4.15Å; L109-M138 HydrophobicContact CD1-CB 4.48Å; L109-M138 HydrophobicContact CD1-SD 4.47Å; L109-M138 HydrophobicContact CD2-CG 4.13Å; L109-M138 HydrophobicContact CD2-SD 4.03Å; L109-A141 HydrophobicContact CD1-CB 4.18Å; L109-F142 PolarHBondContact N-O 3.42Å; L109-Y143 HydrophobicContact CB-CD1 3.75Å; L109-Y143 HydrophobicContact CB-CE1 3.88Å; L109-Y143 HydrophobicContact CB-CG 4.41Å; L109-Y143 HydrophobicContact CD1-CD1 4.44Å; L109-Y143 HydrophobicContact CD1-CE1 4.1Å; L109-Y143 HydrophobicContact CD1-CE2 4.33Å; L109-Y143 HydrophobicContact CD2-CE1 3.8Å; L109-Y143 HydrophobicContact CG-CD1 4.46Å; L109-Y143 HydrophobicContact CG-CE1 4.14Å; L109-Y143 CarbonylContact O-C 3.58Å; L109-Y143 WeakPolarHBondContact O-CA 3.46Å; L109-H144 PolarHBondContact O-CD2 3.28Å; L109-H144 VanDerWaalsContact O-CD2 3.25Å; L109-H144 PolarHBondContact O-N 3.03Å
110	H	98.4	Very high	96.6	Very high	96 Å²	96	67.7 Å²	67.7	44%	0.444	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.2	174.2	178.2	-114.8	0	0	0	110.9	H144	H110-H144 CarbonylContact C-O 3.56Å; H110-H144 VanDerWaalsContact CA-O 3.32Å; H110-H144 WeakPolarHBondContact CA-O 3.42Å; H110-H144 AromaticContact CD2-CE1 3.35Å; H110-H144 PolarHBondContact CD2-CE1 3.24Å; H110-H144 AromaticContact CD2-ND1 3.59Å; H110-H144 PolarHBondContact CD2-O 3.47Å; H110-H144 AromaticContact CG-CE1 3.8Å
111	I	97.8	Very high	96.6	Very high	23 Å²	23	69 Å²	69	12%	0.118	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.8	174	-50	162.5	0	0	0	108.3	M120 F128 Y143 H144 V147	I111-M120 HydrophobicContact CG2-CE 3.83Å; I111-F128 HydrophobicContact CD1-CE2 3.53Å; I111-F128 HydrophobicContact CD1-CZ 3.5Å; I111-F128 VanDerWaalsContact CD1-CZ 3.5Å; I111-F128 HydrophobicContact CG1-CE2 3.95Å; I111-F128 HydrophobicContact CG1-CZ 4.42Å; I111-Y143 HydrophobicContact CG1-CD1 4.37Å; I111-H144 PolarHBondContact N-O 2.84Å; I111-V147 HydrophobicContact CB-CG2 4.46Å; I111-V147 HydrophobicContact CG2-CG2 3.93Å
112	N	96.1	Very high	96.6	Very high	120 Å²	120	72.9 Å²	72.9	64%	0.642	39%	0.386	S	S	*	.			trans	-106.3	129	174.2	-169.6	11.1	0	0	0	110
113	T	94.9	Very high	96.6	Very high	23 Å²	23	74.9 Å²	74.9	14%	0.141	38%	0.379	C	S	.	.			trans	-111.3	146.6	175.2	58.9	0	0	0	0	110.5	K115 N116 N117 M120 V147	T113-K115 PolarHBondContact O-N 3.31Å; T113-N116 PolarHBondContact O-N 2.76Å; T113-N116 WeakPolarHBondContact OG1-CA 3.29Å; T113-N117 VanDerWaalsContact CB-O 3.26Å; T113-N117 WeakPolarHBondContact CB-O 3.38Å; T113-N117 PolarHBondContact OG1-N 3.37Å; T113-N117 PolarHBondContact OG1-O 3.06Å; T113-M120 HydrophobicContact CG2-CE 4.2Å; T113-V147 HydrophobicContact CG2-CG2 3.97Å
114	T	91.9	Very high	96.7	Very high	125 Å²	125	70.4 Å²	70.4	77%	0.767	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-56.3	126.5	179	-55.5	0	0	0	0	110.3	N116 N117	T114-N116 PolarHBondContact O-N 3.12Å; T114-N116 VanDerWaalsContact O-N 3.16Å; T114-N117 PolarHBondContact O-N 3.43Å; T114-N117 VanDerWaalsContact O-N 3.16Å
115	K	91	Very high	96.7	Very high	201 Å²	201	70.6 Å²	70.6	87%	0.874	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	58.4	19.4	-175.7	-59.6	174.3	-179.6	177.3	0	114.4	T113 N117	T113-K115 PolarHBondContact O-N 3.31Å; K115-N117 PolarHBondContact O-N 3.11Å
116	N	91.8	Very high	96.8	Very high	102 Å²	102	66.5 Å²	66.5	55%	0.545	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	55.4	36	-172.1	-49.5	-70.5	0	0	0	112.7	T113 T114 P118	T113-N116 PolarHBondContact O-N 2.76Å; T113-N116 WeakPolarHBondContact OG1-CA 3.29Å; T114-N116 PolarHBondContact O-N 3.12Å; T114-N116 VanDerWaalsContact O-N 3.16Å; N116-P118 WeakPolarHBondContact O-CD 3.48Å
117	N	95.3	Very high	96.8	Very high	84 Å²	84	72.8 Å²	72.8	45%	0.449	37%	0.371	S	S	.	.			trans	-67	121.6	173.3	-175.2	-0.7	0	0	0	109.3	T113 T114 K115 V119	T113-N117 VanDerWaalsContact CB-O 3.26Å; T113-N117 WeakPolarHBondContact CB-O 3.38Å; T113-N117 PolarHBondContact OG1-N 3.37Å; T113-N117 PolarHBondContact OG1-O 3.06Å; T114-N117 PolarHBondContact O-N 3.43Å; T114-N117 VanDerWaalsContact O-N 3.16Å; K115-N117 PolarHBondContact O-N 3.11Å; N117-V119 PolarHBondContact ND2-O 2.84Å; N117-V119 PolarHBondContact O-N 3.49Å; N117-V119 PolarHBondContact OD1-N 3.23Å
118	P	97.1	Very high	96.8	Very high	23 Å²	23	70.1 Å²	70.1	15%	0.149	36%	0.359	C	S	.	.	S	Bend	trans	-73	-14.4	179.9	29.9	-36.6	0	0	0	113.7	N116 S148 F224 W233	N116-P118 WeakPolarHBondContact O-CD 3.48Å; P118-S148 PolarHBondContact O-N 3.17Å; P118-F224 HydrophobicContact CB-CE2 3.87Å; P118-F224 HydrophobicContact CB-CZ 3.94Å; P118-F224 HydrophobicContact CG-CE2 4.41Å; P118-W233 HydrophobicContact CB-CH2 3.82Å; P118-W233 HydrophobicContact CB-CZ2 4.2Å; P118-W233 HydrophobicContact CG-CH2 3.18Å; P118-W233 HydrophobicContact CG-CZ2 3.8Å; P118-W233 HydrophobicContact CG-CZ3 3.9Å
119	V	98	Very high	96.8	Very high	47 Å²	47	69.1 Å²	69.1	29%	0.285	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-101.3	117.4	-179.8	-175	0	0	0	0	110.2	N117 W233	N117-V119 PolarHBondContact ND2-O 2.84Å; N117-V119 PolarHBondContact O-N 3.49Å; N117-V119 PolarHBondContact OD1-N 3.23Å; V119-W233 HydrophobicContact CG2-CD2 4.16Å; V119-W233 HydrophobicContact CG2-CH2 4.26Å; V119-W233 HydrophobicContact CG2-CZ2 3.3Å; V119-W233 VanDerWaalsContact CG2-NE1 3.32Å
120	M	98	Very high	96.8	Very high	22 Å²	22	72.9 Å²	72.9	11%	0.108	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-79.9	146.3	170.2	-65.2	-169.7	179.2	0	0	111.5	I111 T113 D124 Q125 F128 V147 H228	I111-M120 HydrophobicContact CG2-CE 3.83Å; T113-M120 HydrophobicContact CG2-CE 4.2Å; M120-D124 HydrophobicContact CB-CB 4.2Å; M120-Q125 HydrophobicContact CB-CG 3.74Å; M120-Q125 PolarHBondContact O-NE2 2.92Å; M120-F128 HydrophobicContact CE-CB 4.43Å; M120-F128 HydrophobicContact CE-CD1 4.41Å; M120-F128 HydrophobicContact CE-CD2 4.31Å; M120-F128 HydrophobicContact CE-CG 4.11Å; M120-F128 HydrophobicContact SD-CB 3.95Å; M120-F128 HydrophobicContact SD-CD1 4.34Å; M120-F128 HydrophobicContact SD-CG 4.14Å; M120-V147 HydrophobicContact CE-CG1 3.86Å; M120-V147 HydrophobicContact CE-CG2 3.85Å; M120-V147 HydrophobicContact CG-CG1 4.19Å; M120-V147 HydrophobicContact SD-CG1 4.45Å; M120-H228 PolarHBondContact N-CD2 2.86Å; M120-H228 VanDerWaalsContact N-CD2 3.34Å; M120-H228 PolarHBondContact N-NE2 3.08Å; M120-H228 VanDerWaalsContact N-NE2 3.11Å
121	S	98.1	Very high	96.7	Very high	38 Å²	38	72.5 Å²	72.5	27%	0.266	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-64	157.3	167.8	74.4	0	0	0	0	110.8	Q123 D124 Q125	S121-Q123 VanDerWaalsContact C-N 3.28Å; S121-Q123 PolarHBondContact O-N 2.93Å; S121-Q123 VanDerWaalsContact OG-CG 3.31Å; S121-Q123 WeakPolarHBondContact OG-CG 3.27Å; S121-Q123 PolarHBondContact OG-NE2 3.31Å; S121-Q123 VanDerWaalsContact OG-NE2 3.14Å; S121-Q123 PolarHBondContact OG-OE1 3.07Å; S121-D124 PolarHBondContact O-N 2.75Å; S121-D124 WeakPolarHBondContact OG-CB 3.34Å; S121-D124 PolarHBondContact OG-N 2.92Å; S121-D124 PolarHBondContact OG-OD2 3.49Å; S121-Q125 WeakPolarHBondContact O-CG 3.43Å; S121-Q125 PolarHBondContact O-N 3.39Å
122	I	97.8	Very high	96.7	Very high	109 Å²	109	71.5 Å²	71.5	56%	0.559	36%	0.364	S	S	*	.	H	α-helix	trans	-59.4	-39	-177.9	-172.7	58.6	0	0	0	112.4	D124 Q125 V126 F155	I122-D124 VanDerWaalsContact C-N 3.33Å; I122-D124 PolarHBondContact O-N 3Å; I122-Q125 WeakPolarHBondContact O-CB 3.48Å; I122-Q125 PolarHBondContact O-N 2.9Å; I122-V126 WeakPolarHBondContact O-CG2 3.5Å; I122-V126 PolarHBondContact O-N 3.3Å; I122-F155 HydrophobicContact CD1-CE1 4.42Å; I122-F155 HydrophobicContact CD1-CZ 4.48Å
123	Q	97.9	Very high	96.7	Very high	100 Å²	100	67.4 Å²	67.4	47%	0.467	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-35.8	175.2	61.5	-83	17.2	0	0	112.5	S121 R127	S121-Q123 VanDerWaalsContact C-N 3.28Å; S121-Q123 PolarHBondContact O-N 2.93Å; S121-Q123 VanDerWaalsContact OG-CG 3.31Å; S121-Q123 WeakPolarHBondContact OG-CG 3.27Å; S121-Q123 PolarHBondContact OG-NE2 3.31Å; S121-Q123 VanDerWaalsContact OG-NE2 3.14Å; S121-Q123 PolarHBondContact OG-OE1 3.07Å; Q123-R127 WeakPolarHBondContact O-CG 3.47Å; Q123-R127 PolarHBondContact O-N 3.34Å; Q123-R127 VanDerWaalsContact O-N 3.11Å
124	D	98.4	Very high	96.7	Very high	67 Å²	67	72.4 Å²	72.4	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-75.2	-33.3	176.2	-65.3	-36	0	0	0	111.8	M120 S121 I122 R127 F128	M120-D124 HydrophobicContact CB-CB 4.2Å; S121-D124 PolarHBondContact O-N 2.75Å; S121-D124 WeakPolarHBondContact OG-CB 3.34Å; S121-D124 PolarHBondContact OG-N 2.92Å; S121-D124 PolarHBondContact OG-OD2 3.49Å; I122-D124 VanDerWaalsContact C-N 3.33Å; I122-D124 PolarHBondContact O-N 3Å; D124-R127 PolarHBondContact O-N 3.03Å; D124-R127 IonicContact OD1-CZ 3.76Å; D124-R127 IonicContact OD1-NH1 2.71Å; D124-R127 PolarHBondContact OD1-NH1 3.39Å; D124-F128 VanDerWaalsContact O-CB 3.23Å; D124-F128 WeakPolarHBondContact O-CB 3.49Å; D124-F128 PolarHBondContact O-N 3.4Å
125	Q	98.6	Very high	96.9	Very high	18 Å²	18	71.3 Å²	71.3	8%	0.084	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-47.1	171.1	-67.3	173.7	36.6	0	0	110.6	M120 S121 I122 R127 F128 V129 L150 F155 H228	M120-Q125 HydrophobicContact CB-CG 3.74Å; M120-Q125 PolarHBondContact O-NE2 2.92Å; S121-Q125 WeakPolarHBondContact O-CG 3.43Å; S121-Q125 PolarHBondContact O-N 3.39Å; I122-Q125 WeakPolarHBondContact O-CB 3.48Å; I122-Q125 PolarHBondContact O-N 2.9Å; Q125-R127 PolarHBondContact O-N 2.8Å; Q125-F128 PolarHBondContact O-N 2.82Å; Q125-V129 WeakPolarHBondContact O-CB 3.47Å; Q125-V129 VanDerWaalsContact O-CG2 3.24Å; Q125-V129 WeakPolarHBondContact O-CG2 3.06Å; Q125-V129 PolarHBondContact O-N 2.87Å; Q125-L150 HydrophobicContact CB-CD1 3.98Å; Q125-L150 HydrophobicContact CB-CD2 4.15Å; Q125-L150 HydrophobicContact CG-CD1 3.66Å; Q125-L150 HydrophobicContact CG-CD2 4.27Å; Q125-L150 VanDerWaalsContact OE1-CD1 3.22Å; Q125-F155 HydrophobicContact CB-CE1 4.27Å; Q125-F155 HydrophobicContact CB-CZ 3.75Å; Q125-H228 PolarHBondContact NE2-CD2 2.82Å
126	V	98.4	Very high	97	Very high	54 Å²	54	71.3 Å²	71.3	33%	0.327	34%	0.342	S	S	.	.	H	α-helix	trans	-59.1	-46.7	175.7	174	0	0	0	0	111.3	I122 K130 F155	I122-V126 WeakPolarHBondContact O-CG2 3.5Å; I122-V126 PolarHBondContact O-N 3.3Å; V126-K130 HydrophobicContact CG1-CD 4.35Å; V126-K130 WeakPolarHBondContact O-CB 3.49Å; V126-K130 WeakPolarHBondContact O-CG 3.15Å; V126-K130 PolarHBondContact O-N 3.36Å; V126-F155 HydrophobicContact CB-CE1 4.5Å; V126-F155 HydrophobicContact CG2-CD1 3.95Å; V126-F155 HydrophobicContact CG2-CE1 3.66Å
127	R	98.4	Very high	97.2	Very high	141 Å²	141	73.2 Å²	73.2	53%	0.532	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-45	178.6	-71.5	171.8	-169.1	131.6	1.4	111.8	Q123 D124 Q125 K130 N131	Q123-R127 WeakPolarHBondContact O-CG 3.47Å; Q123-R127 PolarHBondContact O-N 3.34Å; Q123-R127 VanDerWaalsContact O-N 3.11Å; D124-R127 PolarHBondContact O-N 3.03Å; D124-R127 IonicContact OD1-CZ 3.76Å; D124-R127 IonicContact OD1-NH1 2.71Å; D124-R127 PolarHBondContact OD1-NH1 3.39Å; Q125-R127 PolarHBondContact O-N 2.8Å; R127-K130 PolarHBondContact O-N 3.32Å; R127-N131 WeakPolarHBondContact O-CB 3.18Å; R127-N131 PolarHBondContact O-N 2.97Å; R127-N131 PolarHBondContact O-OD1 2.71Å
128	F	98.5	Very high	97.3	Very high	22 Å²	22	71.4 Å²	71.4	10%	0.096	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-46.1	-179.8	176.5	-112.2	0	0	0	111.1	I81 I111 M120 D124 Q125 K130 N131 V132 Y143 L150 F152	I81-F128 HydrophobicContact CD1-CE1 4.12Å; I81-F128 HydrophobicContact CD1-CZ 4.12Å; I111-F128 HydrophobicContact CD1-CE2 3.53Å; I111-F128 HydrophobicContact CD1-CZ 3.5Å; I111-F128 VanDerWaalsContact CD1-CZ 3.5Å; I111-F128 HydrophobicContact CG1-CE2 3.95Å; I111-F128 HydrophobicContact CG1-CZ 4.42Å; M120-F128 HydrophobicContact CE-CB 4.43Å; M120-F128 HydrophobicContact CE-CD1 4.41Å; M120-F128 HydrophobicContact CE-CD2 4.31Å; M120-F128 HydrophobicContact CE-CG 4.11Å; M120-F128 HydrophobicContact SD-CB 3.95Å; M120-F128 HydrophobicContact SD-CD1 4.34Å; M120-F128 HydrophobicContact SD-CG 4.14Å; D124-F128 VanDerWaalsContact O-CB 3.23Å; D124-F128 WeakPolarHBondContact O-CB 3.49Å; D124-F128 PolarHBondContact O-N 3.4Å; Q125-F128 PolarHBondContact O-N 2.82Å; F128-K130 PolarHBondContact O-N 3.13Å; F128-N131 PolarHBondContact O-N 3.1Å; F128-V132 HydrophobicContact CD2-CG2 4.06Å; F128-V132 HydrophobicContact CE1-CG2 4.09Å; F128-V132 HydrophobicContact CE2-CG2 3.56Å; F128-V132 HydrophobicContact CZ-CG2 3.58Å; F128-V132 WeakPolarHBondContact O-CB 3.29Å; F128-V132 WeakPolarHBondContact O-CG2 3.46Å; F128-V132 PolarHBondContact O-N 3.35Å; F128-Y143 HydrophobicContact CE2-CD1 4.47Å; F128-L150 HydrophobicContact CD1-CD2 3.7Å; F128-L150 HydrophobicContact CE1-CD2 4.28Å; F128-F152 HydrophobicContact CD1-CZ 4.2Å; F128-F152 HydrophobicContact CE1-CE2 4.09Å; F128-F152 AromaticContact CE1-CZ 3.86Å; F128-F152 HydrophobicContact CE1-CZ 3.86Å
129	V	98.4	Very high	97.2	Very high	4 Å²	4	71.9 Å²	71.9	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-59	-49.6	176.2	170.7	0	0	0	0	110.7	Q125 N131 V132 T133 L150 F152 F155 V157	Q125-V129 WeakPolarHBondContact O-CB 3.47Å; Q125-V129 VanDerWaalsContact O-CG2 3.24Å; Q125-V129 WeakPolarHBondContact O-CG2 3.06Å; Q125-V129 PolarHBondContact O-N 2.87Å; V129-N131 PolarHBondContact O-N 3.32Å; V129-V132 PolarHBondContact O-N 2.91Å; V129-T133 HydrophobicContact CG1-CG2 4.38Å; V129-T133 WeakPolarHBondContact O-CG2 3.25Å; V129-T133 PolarHBondContact O-N 3.44Å; V129-T133 PolarHBondContact O-OG1 3.25Å; V129-L150 HydrophobicContact CG2-CD2 3.75Å; V129-F152 HydrophobicContact CB-CD1 4.34Å; V129-F152 HydrophobicContact CB-CE1 4.1Å; V129-F152 HydrophobicContact CB-CZ 4.5Å; V129-F152 HydrophobicContact CG1-CD1 3.8Å; V129-F152 HydrophobicContact CG1-CE1 3.96Å; V129-F152 HydrophobicContact CG2-CD1 4.02Å; V129-F152 HydrophobicContact CG2-CD2 4.24Å; V129-F152 HydrophobicContact CG2-CE1 3.89Å; V129-F152 HydrophobicContact CG2-CE2 4.11Å; V129-F152 HydrophobicContact CG2-CG 4.18Å; V129-F152 HydrophobicContact CG2-CZ 3.92Å; V129-F155 HydrophobicContact CB-CB 4.47Å; V129-F155 HydrophobicContact CB-CD2 4.43Å; V129-F155 HydrophobicContact CB-CG 4.3Å; V129-F155 HydrophobicContact CG1-CB 3.78Å; V129-F155 HydrophobicContact CG1-CD2 4.38Å; V129-F155 HydrophobicContact CG1-CG 4.12Å; V129-F155 HydrophobicContact CG2-CD2 3.67Å; V129-F155 HydrophobicContact CG2-CE2 3.93Å; V129-F155 HydrophobicContact CG2-CG 4.02Å; V129-F155 HydrophobicContact CG2-CZ 4.49Å; V129-V157 HydrophobicContact CG1-CG1 3.45Å; V129-V157 VanDerWaalsContact CG1-CG1 3.45Å
130	K	97.3	Very high	97.2	Very high	111 Å²	111	69.9 Å²	69.9	48%	0.483	32%	0.324	S	S	.	.	H	α-helix	trans	-56.1	-48.8	176.4	-76.7	-174.8	174.7	-166.4	0	112.1	V126 R127 F128 V132 T133 E134	V126-K130 HydrophobicContact CG1-CD 4.35Å; V126-K130 WeakPolarHBondContact O-CB 3.49Å; V126-K130 WeakPolarHBondContact O-CG 3.15Å; V126-K130 PolarHBondContact O-N 3.36Å; R127-K130 PolarHBondContact O-N 3.32Å; F128-K130 PolarHBondContact O-N 3.13Å; K130-V132 PolarHBondContact O-N 3.08Å; K130-T133 PolarHBondContact O-N 3.35Å; K130-T133 PolarHBondContact O-OG1 3.35Å; K130-E134 WeakPolarHBondContact O-CB 3.24Å; K130-E134 WeakPolarHBondContact O-CG 3.45Å; K130-E134 PolarHBondContact O-N 3.34Å
131	N	97.6	Very high	97.2	Very high	89 Å²	89	68.8 Å²	68.8	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-48	178.7	-70.2	-4.2	0	0	0	111.4	R127 F128 V129 T133 W135	R127-N131 WeakPolarHBondContact O-CB 3.18Å; R127-N131 PolarHBondContact O-N 2.97Å; R127-N131 PolarHBondContact O-OD1 2.71Å; F128-N131 PolarHBondContact O-N 3.1Å; V129-N131 PolarHBondContact O-N 3.32Å; N131-T133 VanDerWaalsContact C-N 3.32Å; N131-T133 PolarHBondContact O-N 3.23Å; N131-W135 WeakPolarHBondContact O-CB 3.33Å; N131-W135 PolarHBondContact O-N 3.3Å; N131-W135 VanDerWaalsContact O-N 3.09Å
132	V	97.2	Very high	97.2	Very high	2 Å²	2	67 Å²	67	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-40.2	179.8	166.4	0	0	0	0	111.7	V79 I81 F128 V129 K130 K139 Y143 F152 P161	V79-V132 HydrophobicContact CG1-CG1 3.9Å; I81-V132 HydrophobicContact CD1-CG1 4.39Å; F128-V132 HydrophobicContact CD2-CG2 4.06Å; F128-V132 HydrophobicContact CE1-CG2 4.09Å; F128-V132 HydrophobicContact CE2-CG2 3.56Å; F128-V132 HydrophobicContact CZ-CG2 3.58Å; F128-V132 WeakPolarHBondContact O-CB 3.29Å; F128-V132 WeakPolarHBondContact O-CG2 3.46Å; F128-V132 PolarHBondContact O-N 3.35Å; V129-V132 PolarHBondContact O-N 2.91Å; K130-V132 PolarHBondContact O-N 3.08Å; V132-K139 WeakPolarHBondContact O-CE 3.39Å; V132-Y143 HydrophobicContact CG2-CD1 4.4Å; V132-Y143 HydrophobicContact CG2-CD2 4.32Å; V132-Y143 HydrophobicContact CG2-CE1 4.25Å; V132-Y143 HydrophobicContact CG2-CE2 4.15Å; V132-Y143 HydrophobicContact CG2-CG 4.44Å; V132-F152 HydrophobicContact CB-CE1 3.82Å; V132-F152 HydrophobicContact CB-CZ 4Å; V132-F152 HydrophobicContact CG1-CE1 3.54Å; V132-F152 HydrophobicContact CG1-CZ 3.82Å; V132-F152 HydrophobicContact CG2-CZ 4.2Å; V132-P161 HydrophobicContact CG1-CB 4.45Å
133	T	95.3	Very high	97.3	Very high	33 Å²	33	62.4 Å²	62.4	20%	0.202	28%	0.282	C	S	.	.	H	α-helix	trans	-86.5	-30.6	-174.8	56.3	0	0	0	0	114.3	V129 K130 N131 K139 F152 V157	V129-T133 HydrophobicContact CG1-CG2 4.38Å; V129-T133 WeakPolarHBondContact O-CG2 3.25Å; V129-T133 PolarHBondContact O-N 3.44Å; V129-T133 PolarHBondContact O-OG1 3.25Å; K130-T133 PolarHBondContact O-N 3.35Å; K130-T133 PolarHBondContact O-OG1 3.35Å; N131-T133 VanDerWaalsContact C-N 3.32Å; N131-T133 PolarHBondContact O-N 3.23Å; T133-K139 WeakPolarHBondContact O-CE 3.43Å; T133-K139 PolarHBondContact O-NZ 3.18Å; T133-F152 HydrophobicContact CG2-CD1 4.14Å; T133-F152 HydrophobicContact CG2-CE1 4.18Å; T133-V157 HydrophobicContact CG2-CB 4.04Å; T133-V157 HydrophobicContact CG2-CG1 3.75Å
134	E	95.2	Very high	97.3	Very high	129 Å²	129	57.9 Å²	57.9	60%	0.603	26%	0.261	S	S	*	.	H	α-helix	trans	-107.5	-17.7	-169.2	-60.1	176.8	177.9	0	0	113.4	K130 R136	K130-E134 WeakPolarHBondContact O-CB 3.24Å; K130-E134 WeakPolarHBondContact O-CG 3.45Å; K130-E134 PolarHBondContact O-N 3.34Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 2.79Å
135	W	96.1	Very high	97.3	Very high	102 Å²	102	54.7 Å²	54.7	39%	0.386	24%	0.244	S	C	.	.			trans	-77	79.2	179.5	-164.5	-2.6	0	0	0	111.6	L109 N131 E137 M138	L109-W135 HydrophobicContact CD2-CZ3 4.15Å; N131-W135 WeakPolarHBondContact O-CB 3.33Å; N131-W135 PolarHBondContact O-N 3.3Å; N131-W135 VanDerWaalsContact O-N 3.09Å; W135-E137 VanDerWaalsContact C-N 3.32Å; W135-E137 VanDerWaalsContact CD1-OE2 3.24Å; W135-E137 PolarHBondContact O-N 3.49Å; W135-M138 HydrophobicContact CD2-CB 4.2Å; W135-M138 HydrophobicContact CD2-CG 3.39Å; W135-M138 HydrophobicContact CE3-CG 3.88Å; W135-M138 HydrophobicContact CG-CB 4.15Å; W135-M138 HydrophobicContact CG-CG 3.76Å; W135-M138 HydrophobicContact CH2-CE 3.79Å; W135-M138 HydrophobicContact CH2-CG 4.23Å; W135-M138 HydrophobicContact CZ2-CE 3.23Å; W135-M138 HydrophobicContact CZ2-CG 3.8Å; W135-M138 HydrophobicContact CZ2-SD 4.34Å; W135-M138 HydrophobicContact CZ3-CG 4.26Å; W135-M138 PolarHBondContact O-N 2.85Å
136	R	94.3	Very high	97.3	Very high	201 Å²	201	56.1 Å²	56.1	76%	0.758	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-62	-36.7	-173.3	-66.9	-177.5	-178.6	-172	-0.3	113	E134 M138 K139	E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 2.79Å; R136-M138 PolarHBondContact O-N 2.97Å; R136-K139 PolarHBondContact O-N 3.4Å
137	E	95.7	Very high	97.3	Very high	142 Å²	142	53.8 Å²	53.8	66%	0.664	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-63.5	-23	-177.9	-62.1	76	-167.8	0	0	112.7	H107 W135	H107-E137 PolarHBondContact CE1-O 3.44Å; W135-E137 VanDerWaalsContact C-N 3.32Å; W135-E137 VanDerWaalsContact CD1-OE2 3.24Å; W135-E137 PolarHBondContact O-N 3.49Å
138	M	96.4	Very high	97.3	Very high	46 Å²	46	47.1 Å²	47.1	23%	0.227	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-88.3	-9.2	176.8	-69.2	-63	166.7	0	0	113.1	H107 L109 W135 R136 P140 A141	H107-M138 WeakPolarHBondContact CB-O 3.41Å; H107-M138 HydrophobicContact CB-SD 4.17Å; H107-M138 VanDerWaalsContact ND1-C 3.33Å; H107-M138 PolarHBondContact ND1-O 3.35Å; L109-M138 HydrophobicContact CD1-CB 4.48Å; L109-M138 HydrophobicContact CD1-SD 4.47Å; L109-M138 HydrophobicContact CD2-CG 4.13Å; L109-M138 HydrophobicContact CD2-SD 4.03Å; W135-M138 HydrophobicContact CD2-CB 4.2Å; W135-M138 HydrophobicContact CD2-CG 3.39Å; W135-M138 HydrophobicContact CE3-CG 3.88Å; W135-M138 HydrophobicContact CG-CB 4.15Å; W135-M138 HydrophobicContact CG-CG 3.76Å; W135-M138 HydrophobicContact CH2-CE 3.79Å; W135-M138 HydrophobicContact CH2-CG 4.23Å; W135-M138 HydrophobicContact CZ2-CE 3.23Å; W135-M138 HydrophobicContact CZ2-CG 3.8Å; W135-M138 HydrophobicContact CZ2-SD 4.34Å; W135-M138 HydrophobicContact CZ3-CG 4.26Å; W135-M138 PolarHBondContact O-N 2.85Å; R136-M138 PolarHBondContact O-N 2.97Å; M138-P140 CarbonylContact O-C 3.31Å; M138-P140 VanDerWaalsContact O-C 3.31Å; M138-A141 VanDerWaalsContact O-CB 3.28Å; M138-A141 WeakPolarHBondContact O-CB 3.46Å
139	K	96.1	Very high	97.3	Very high	33 Å²	33	46.3 Å²	46.3	14%	0.143	21%	0.208	C	C	.	.			trans	-87.9	143.9	-175.6	-60.4	-176	176	177.5	0	111.6	D76 D77 V79 V132 T133 R136	D76-K139 CarbonylContact O-C 3.58Å; D76-K139 WeakPolarHBondContact O-CB 3.45Å; D77-K139 WeakPolarHBondContact OD1-CD 3.33Å; D77-K139 IonicContact OD1-NZ 2.71Å; D77-K139 PolarHBondContact OD1-NZ 3.29Å; V79-K139 HydrophobicContact CG2-CD 4.13Å; V79-K139 HydrophobicContact CG2-CG 4.02Å; V132-K139 WeakPolarHBondContact O-CE 3.39Å; T133-K139 WeakPolarHBondContact O-CE 3.43Å; T133-K139 PolarHBondContact O-NZ 3.18Å; R136-K139 PolarHBondContact O-N 3.4Å
140	P	97.5	Very high	97.3	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.026	21%	0.208	C	C	.	.	S	Bend	cis	-69.6	147.8	-5.6	17.4	-16.9	0	0	0	112.2	D76 L78 Y106 H107 M138 R274 F275	D76-P140 WeakPolarHBondContact O-CD 3.32Å; D76-P140 VanDerWaalsContact O-N 3.12Å; L78-P140 HydrophobicContact CB-CB 4.31Å; L78-P140 CarbonylContact O-C 3.52Å; L78-P140 WeakPolarHBondContact O-CA 3.17Å; L78-P140 WeakPolarHBondContact O-CB 3.39Å; Y106-P140 CarbonylContact C-O 3.54Å; Y106-P140 WeakPolarHBondContact CA-O 3.38Å; Y106-P140 VanDerWaalsContact CB-O 3.27Å; Y106-P140 WeakPolarHBondContact CB-O 3.37Å; H107-P140 PolarHBondContact N-O 3.36Å; M138-P140 CarbonylContact O-C 3.31Å; M138-P140 VanDerWaalsContact O-C 3.31Å; P140-R274 HydrophobicContact CG-CG 4.44Å; P140-F275 HydrophobicContact CB-CE1 4.31Å; P140-F275 HydrophobicContact CB-CE2 4.49Å; P140-F275 HydrophobicContact CB-CZ 3.78Å
141	A	98.3	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.7	-167	0	0	0	0	0	113.5	L78 V79 I80 H107 L109 M138 Y143	L78-A141 PolarHBondContact O-N 3.47Å; V79-A141 CarbonylContact C-O 3.5Å; V79-A141 WeakPolarHBondContact CA-O 3.28Å; V79-A141 HydrophobicContact CG1-CB 4.2Å; V79-A141 HydrophobicContact CG2-CB 4.29Å; I80-A141 PolarHBondContact N-O 3.07Å; H107-A141 CarbonylContact O-C 3.54Å; H107-A141 WeakPolarHBondContact O-CA 3.48Å; L109-A141 HydrophobicContact CD1-CB 4.18Å; M138-A141 VanDerWaalsContact O-CB 3.28Å; M138-A141 WeakPolarHBondContact O-CB 3.46Å; A141-Y143 HydrophobicContact CB-CD2 3.88Å; A141-Y143 HydrophobicContact CB-CE2 3.4Å
142	F	98.8	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	101.9	170.2	-174.2	-84.7	0	0	0	109.2	I80 Y82 F93 A97 Y106 H107 V108 L109 H144 I164 F275 F276	I80-F142 HydrophobicContact CB-CD2 3.8Å; I80-F142 HydrophobicContact CB-CE2 4.35Å; I80-F142 HydrophobicContact CD1-CD2 4.21Å; I80-F142 HydrophobicContact CG2-CD2 3.64Å; I80-F142 HydrophobicContact CG2-CE2 3.67Å; Y82-F142 VanDerWaalsContact CB-CZ 3.46Å; Y82-F142 HydrophobicContact CD1-CE1 4.18Å; Y82-F142 AromaticContact CD1-CZ 3.89Å; Y82-F142 HydrophobicContact CD1-CZ 3.89Å; Y82-F142 HydrophobicContact CG-CZ 4.01Å; F93-F142 HydrophobicContact CE1-CE2 4.38Å; F93-F142 AromaticContact CE1-CZ 3.94Å; F93-F142 HydrophobicContact CE1-CZ 3.94Å; A97-F142 HydrophobicContact CB-CD1 4.05Å; A97-F142 HydrophobicContact CB-CE1 4.08Å; A97-F142 HydrophobicContact CB-CG 4.28Å; A97-F142 HydrophobicContact CB-CZ 4.37Å; Y106-F142 HydrophobicContact CD2-CB 4.23Å; Y106-F142 HydrophobicContact CE2-CB 4.03Å; H107-F142 PolarHBondContact O-N 3.24Å; V108-F142 WeakPolarHBondContact CA-O 3.43Å; V108-F142 HydrophobicContact CG1-CD1 4.15Å; V108-F142 HydrophobicContact CG2-CB 4.3Å; L109-F142 PolarHBondContact N-O 3.42Å; F142-H144 HydrophobicContact CD1-CB 4.37Å; F142-H144 HydrophobicContact CE1-CB 3.85Å; F142-I164 HydrophobicContact CE2-CD1 3.97Å; F142-F275 HydrophobicContact CB-CD1 4.4Å; F142-F275 HydrophobicContact CB-CE1 4.4Å; F142-F276 HydrophobicContact CD2-CZ 4.35Å; F142-F276 HydrophobicContact CE2-CE1 4.37Å; F142-F276 AromaticContact CE2-CZ 3.94Å; F142-F276 HydrophobicContact CE2-CZ 3.94Å
143	Y	98.8	Very high	97.3	Very high	12 Å²	12	41.7 Å²	41.7	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.3	175.2	-69.7	-95.2	0	0	0	109.9	V79 I80 I81 Y82 L109 I111 F128 V132 A141	V79-Y143 HydrophobicContact CG1-CD2 3.53Å; V79-Y143 HydrophobicContact CG1-CE2 3.71Å; I80-Y143 PolarHBondContact O-N 3.24Å; I81-Y143 CarbonylContact C-O 3.53Å; I81-Y143 WeakPolarHBondContact CA-O 3.32Å; Y82-Y143 PolarHBondContact N-O 3.02Å; L109-Y143 HydrophobicContact CB-CD1 3.75Å; L109-Y143 HydrophobicContact CB-CE1 3.88Å; L109-Y143 HydrophobicContact CB-CG 4.41Å; L109-Y143 HydrophobicContact CD1-CD1 4.44Å; L109-Y143 HydrophobicContact CD1-CE1 4.1Å; L109-Y143 HydrophobicContact CD1-CE2 4.33Å; L109-Y143 HydrophobicContact CD2-CE1 3.8Å; L109-Y143 HydrophobicContact CG-CD1 4.46Å; L109-Y143 HydrophobicContact CG-CE1 4.14Å; L109-Y143 CarbonylContact O-C 3.58Å; L109-Y143 WeakPolarHBondContact O-CA 3.46Å; I111-Y143 HydrophobicContact CG1-CD1 4.37Å; F128-Y143 HydrophobicContact CE2-CD1 4.47Å; V132-Y143 HydrophobicContact CG2-CD1 4.4Å; V132-Y143 HydrophobicContact CG2-CD2 4.32Å; V132-Y143 HydrophobicContact CG2-CE1 4.25Å; V132-Y143 HydrophobicContact CG2-CE2 4.15Å; V132-Y143 HydrophobicContact CG2-CG 4.44Å; A141-Y143 HydrophobicContact CB-CD2 3.88Å; A141-Y143 HydrophobicContact CB-CE2 3.4Å
144	H	98.8	Very high	97.3	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.4	174.4	70.9	98.6	0	0	0	112.8	Y82 T94 Y98 L109 H110 I111 F142	Y82-H144 HydrophobicContact CD1-CB 3.98Å; Y82-H144 HydrophobicContact CG-CB 4.46Å; Y82-H144 WeakPolarHBondContact O-CA 3.39Å; Y82-H144 WeakPolarHBondContact O-CB 3.43Å; T94-H144 WeakPolarHBondContact CG2-CE1 3.42Å; T94-H144 WeakPolarHBondContact CG2-ND1 3.4Å; T94-H144 WeakPolarHBondContact CG2-NE2 3.35Å; Y98-H144 AromaticContact CE2-NE2 3.61Å; Y98-H144 AromaticContact CZ-NE2 3.62Å; Y98-H144 PolarHBondContact OH-NE2 3.46Å; L109-H144 PolarHBondContact O-CD2 3.28Å; L109-H144 VanDerWaalsContact O-CD2 3.25Å; L109-H144 PolarHBondContact O-N 3.03Å; H110-H144 CarbonylContact C-O 3.56Å; H110-H144 VanDerWaalsContact CA-O 3.32Å; H110-H144 WeakPolarHBondContact CA-O 3.42Å; H110-H144 AromaticContact CD2-CE1 3.35Å; H110-H144 PolarHBondContact CD2-CE1 3.24Å; H110-H144 AromaticContact CD2-ND1 3.59Å; H110-H144 PolarHBondContact CD2-O 3.47Å; H110-H144 AromaticContact CG-CE1 3.8Å; I111-H144 PolarHBondContact N-O 2.84Å; F142-H144 HydrophobicContact CD1-CB 4.37Å; F142-H144 HydrophobicContact CE1-CB 3.85Å
145	G	98.2	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	169.2	176.7	0	0	0	0	0	113.4	Y82 N83 R84 V147	Y82-G145 PolarHBondContact O-N 3.38Å; N83-G145 CarbonylContact C-O 3.56Å; N83-G145 VanDerWaalsContact C-O 3.28Å; N83-G145 WeakPolarHBondContact CA-O 3.37Å; R84-G145 WeakPolarHBondContact CG-O 3.43Å; R84-G145 PolarHBondContact N-O 3.44Å; G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 2.72Å
146	H	98.2	Very high	97.2	Very high	48 Å²	48	41 Å²	41	22%	0.222	20%	0.204	C	C	.	.	S	Bend	trans	-82.6	75.6	179.5	-63.3	-50.3	0	0	0	110.8	R84 F224	R84-H146 PolarHBondContact O-ND1 2.79Å; H146-F224 HydrophobicContact CB-CZ 4.48Å
147	V	98.4	Very high	97.2	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.03	18%	0.178	C	C	.	.			trans	-130.5	142.8	180	-171.3	0	0	0	0	108.3	N83 I111 T113 M120 G145	N83-V147 VanDerWaalsContact CB-O 3.27Å; N83-V147 WeakPolarHBondContact CB-O 3.35Å; N83-V147 PolarHBondContact ND2-O 2.92Å; I111-V147 HydrophobicContact CB-CG2 4.46Å; I111-V147 HydrophobicContact CG2-CG2 3.93Å; T113-V147 HydrophobicContact CG2-CG2 3.97Å; M120-V147 HydrophobicContact CE-CG1 3.86Å; M120-V147 HydrophobicContact CE-CG2 3.85Å; M120-V147 HydrophobicContact CG-CG1 4.19Å; M120-V147 HydrophobicContact SD-CG1 4.45Å; G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 2.72Å
148	S	98.6	Very high	97	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	19%	0.192	C	C	.	.			trans	-71.2	164.6	172.1	-71.4	0	0	0	0	111.7	P118 L150 P223 F224 H228 W233	P118-S148 PolarHBondContact O-N 3.17Å; S148-L150 PolarHBondContact O-N 2.74Å; S148-P223 PolarHBondContact OG-O 3.41Å; S148-F224 CarbonylContact C-O 3.58Å; S148-H228 PolarHBondContact O-CE1 3.04Å; S148-H228 VanDerWaalsContact O-CE1 3.23Å; S148-W233 WeakPolarHBondContact OG-CZ2 3.42Å
149	F	98.8	Very high	96.7	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.026	20%	0.197	C	C	.	.			trans	-51.2	131	176	173.6	-109.2	0	0	0	110.8	N83 D151 Y163 F224 F225 G227 H228 N247 E251 Y252	N83-F149 PolarHBondContact ND2-N 2.87Å; F149-D151 HydrophobicContact CE1-CB 3.92Å; F149-D151 HydrophobicContact CZ-CB 4.12Å; F149-Y163 HydrophobicContact CD2-CD1 4.22Å; F149-Y163 HydrophobicContact CD2-CD2 4.45Å; F149-Y163 HydrophobicContact CD2-CE1 4.03Å; F149-Y163 HydrophobicContact CD2-CE2 4.28Å; F149-Y163 HydrophobicContact CD2-CG 4.42Å; F149-Y163 HydrophobicContact CE2-CD2 4.07Å; F149-Y163 AromaticContact CE2-CE2 3.97Å; F149-Y163 HydrophobicContact CE2-CE2 3.97Å; F149-Y163 HydrophobicContact CE2-CG 4.4Å; F149-F224 WeakPolarHBondContact CB-O 3.38Å; F149-F224 PolarHBondContact N-O 2.94Å; F149-F225 WeakPolarHBondContact CB-O 3.22Å; F149-G227 WeakPolarHBondContact O-CA 3.22Å; F149-H228 PolarHBondContact O-ND1 2.92Å; F149-N247 HydrophobicContact CD1-CB 4.35Å; F149-N247 WeakPolarHBondContact CD1-ND2 3.31Å; F149-N247 HydrophobicContact CE1-CB 4.41Å; F149-E251 HydrophobicContact CE1-CG 4.36Å; F149-E251 HydrophobicContact CE2-CB 3.7Å; F149-E251 HydrophobicContact CE2-CG 4.23Å; F149-E251 HydrophobicContact CZ-CB 3.65Å; F149-E251 HydrophobicContact CZ-CG 3.63Å; F149-Y252 HydrophobicContact CB-CE2 4.49Å; F149-Y252 AromaticContact CD2-CE2 3.8Å; F149-Y252 HydrophobicContact CD2-CE2 3.8Å; F149-Y252 HydrophobicContact CE2-CE2 4.44Å; F149-Y252 HydrophobicContact CG-CE2 4.31Å
150	L	98.7	Very high	96.7	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.211	C	C	.	.			trans	-119.8	122.5	176.1	179.6	63	0	0	0	108	Q125 F128 V129 S148 F152 F155 Y163	Q125-L150 HydrophobicContact CB-CD1 3.98Å; Q125-L150 HydrophobicContact CB-CD2 4.15Å; Q125-L150 HydrophobicContact CG-CD1 3.66Å; Q125-L150 HydrophobicContact CG-CD2 4.27Å; Q125-L150 VanDerWaalsContact OE1-CD1 3.22Å; F128-L150 HydrophobicContact CD1-CD2 3.7Å; F128-L150 HydrophobicContact CE1-CD2 4.28Å; V129-L150 HydrophobicContact CG2-CD2 3.75Å; S148-L150 PolarHBondContact O-N 2.74Å; L150-F152 HydrophobicContact CB-CE2 4.44Å; L150-F152 HydrophobicContact CD2-CE2 4.12Å; L150-F152 HydrophobicContact CG-CD2 4.44Å; L150-F152 HydrophobicContact CG-CE2 4.35Å; L150-F152 WeakPolarHBondContact O-CD2 3.28Å; L150-F152 PolarHBondContact O-N 2.92Å; L150-F155 HydrophobicContact CD1-CE2 3.99Å; L150-F155 HydrophobicContact CD1-CZ 4.28Å; L150-F155 HydrophobicContact CG-CE2 4.35Å; L150-Y163 PolarHBondContact O-OH 3Å; L150-Y163 VanDerWaalsContact O-OH 3.12Å
151	D	98.1	Very high	96.7	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.15	21%	0.214	C	C	.	.			trans	-81.6	106	179	179.3	3	0	0	0	110.6	F149 T153 K154 F155	F149-D151 HydrophobicContact CE1-CB 3.92Å; F149-D151 HydrophobicContact CZ-CB 4.12Å; D151-T153 VanDerWaalsContact C-N 3.25Å; D151-T153 PolarHBondContact O-N 3.01Å; D151-T153 VanDerWaalsContact OD1-CB 3.27Å; D151-T153 WeakPolarHBondContact OD1-CB 3.22Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.47Å; D151-T153 PolarHBondContact OD1-N 2.96Å; D151-T153 PolarHBondContact OD1-OG1 2.86Å; D151-T153 PolarHBondContact OD2-OG1 2.85Å; D151-T153 VanDerWaalsContact OD2-OG1 3.06Å; D151-K154 HydrophobicContact CB-CD 3.97Å; D151-K154 HydrophobicContact CB-CG 4.23Å; D151-K154 WeakPolarHBondContact OD2-CG 3.4Å; D151-F155 VanDerWaalsContact O-CD2 3.31Å; D151-F155 WeakPolarHBondContact O-CD2 3.47Å; D151-F155 VanDerWaalsContact O-CE2 3.26Å; D151-F155 WeakPolarHBondContact O-CE2 3.37Å
152	F	97.9	Very high	96.7	Very high	4 Å²	4	44 Å²	44	2%	0.018	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-69	-21.5	179.1	-84.9	-120.3	0	0	0	112.8	I81 F128 V129 V132 T133 L150 K154 F155 V157 P161 Y163	I81-F152 HydrophobicContact CD1-CE2 3.62Å; I81-F152 HydrophobicContact CD1-CZ 3.58Å; F128-F152 HydrophobicContact CD1-CZ 4.2Å; F128-F152 HydrophobicContact CE1-CE2 4.09Å; F128-F152 AromaticContact CE1-CZ 3.86Å; F128-F152 HydrophobicContact CE1-CZ 3.86Å; V129-F152 HydrophobicContact CB-CD1 4.34Å; V129-F152 HydrophobicContact CB-CE1 4.1Å; V129-F152 HydrophobicContact CB-CZ 4.5Å; V129-F152 HydrophobicContact CG1-CD1 3.8Å; V129-F152 HydrophobicContact CG1-CE1 3.96Å; V129-F152 HydrophobicContact CG2-CD1 4.02Å; V129-F152 HydrophobicContact CG2-CD2 4.24Å; V129-F152 HydrophobicContact CG2-CE1 3.89Å; V129-F152 HydrophobicContact CG2-CE2 4.11Å; V129-F152 HydrophobicContact CG2-CG 4.18Å; V129-F152 HydrophobicContact CG2-CZ 3.92Å; V132-F152 HydrophobicContact CB-CE1 3.82Å; V132-F152 HydrophobicContact CB-CZ 4Å; V132-F152 HydrophobicContact CG1-CE1 3.54Å; V132-F152 HydrophobicContact CG1-CZ 3.82Å; V132-F152 HydrophobicContact CG2-CZ 4.2Å; T133-F152 HydrophobicContact CG2-CD1 4.14Å; T133-F152 HydrophobicContact CG2-CE1 4.18Å; L150-F152 HydrophobicContact CB-CE2 4.44Å; L150-F152 HydrophobicContact CD2-CE2 4.12Å; L150-F152 HydrophobicContact CG-CD2 4.44Å; L150-F152 HydrophobicContact CG-CE2 4.35Å; L150-F152 WeakPolarHBondContact O-CD2 3.28Å; L150-F152 PolarHBondContact O-N 2.92Å; F152-K154 PolarHBondContact O-N 3.25Å; F152-F155 PolarHBondContact O-N 3.31Å; F152-F155 VanDerWaalsContact O-N 3.17Å; F152-V157 HydrophobicContact CB-CG1 4.48Å; F152-V157 HydrophobicContact CB-CG2 3.94Å; F152-V157 HydrophobicContact CD1-CG1 4.21Å; F152-P161 VanDerWaalsContact CD1-CD 3.5Å; F152-P161 HydrophobicContact CD1-CG 3.86Å; F152-P161 HydrophobicContact CD2-CG 3.88Å; F152-P161 HydrophobicContact CE1-CG 3.9Å; F152-P161 HydrophobicContact CE2-CG 3.92Å; F152-P161 HydrophobicContact CG-CG 3.88Å; F152-P161 HydrophobicContact CZ-CG 3.94Å; F152-Y163 HydrophobicContact CD2-CE2 4.3Å; F152-Y163 HydrophobicContact CE2-CE2 4.44Å
153	T	95.2	Very high	96.7	Very high	71 Å²	71	44.4 Å²	44.4	44%	0.436	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.2	-34.4	-178.4	67.1	0	0	0	0	111.9	D151 F155 G156 K160	D151-T153 VanDerWaalsContact C-N 3.25Å; D151-T153 PolarHBondContact O-N 3.01Å; D151-T153 VanDerWaalsContact OD1-CB 3.27Å; D151-T153 WeakPolarHBondContact OD1-CB 3.22Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.47Å; D151-T153 PolarHBondContact OD1-N 2.96Å; D151-T153 PolarHBondContact OD1-OG1 2.86Å; D151-T153 PolarHBondContact OD2-OG1 2.85Å; D151-T153 VanDerWaalsContact OD2-OG1 3.06Å; T153-F155 PolarHBondContact O-N 2.94Å; T153-G156 PolarHBondContact O-N 3.27Å; T153-G156 VanDerWaalsContact O-N 3.11Å; T153-K160 HydrophobicContact CG2-CD 3.61Å
154	K	95.1	Very high	96.7	Very high	126 Å²	126	43.8 Å²	43.8	55%	0.548	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.6	-13.9	-179.8	-61.3	177.4	72.3	172.5	0	113.8	D151 F152 Y229	D151-K154 HydrophobicContact CB-CD 3.97Å; D151-K154 HydrophobicContact CB-CG 4.23Å; D151-K154 WeakPolarHBondContact OD2-CG 3.4Å; F152-K154 PolarHBondContact O-N 3.25Å; K154-Y229 PolarHBondContact NZ-OH 2.8Å
155	F	96.5	Very high	96.8	Very high	55 Å²	55	43.6 Å²	43.6	24%	0.241	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-108.5	7.6	-176.9	-56.8	-85.1	0	0	0	113	I122 Q125 V126 V129 L150 D151 F152 T153 V157	I122-F155 HydrophobicContact CD1-CE1 4.42Å; I122-F155 HydrophobicContact CD1-CZ 4.48Å; Q125-F155 HydrophobicContact CB-CE1 4.27Å; Q125-F155 HydrophobicContact CB-CZ 3.75Å; V126-F155 HydrophobicContact CB-CE1 4.5Å; V126-F155 HydrophobicContact CG2-CD1 3.95Å; V126-F155 HydrophobicContact CG2-CE1 3.66Å; V129-F155 HydrophobicContact CB-CB 4.47Å; V129-F155 HydrophobicContact CB-CD2 4.43Å; V129-F155 HydrophobicContact CB-CG 4.3Å; V129-F155 HydrophobicContact CG1-CB 3.78Å; V129-F155 HydrophobicContact CG1-CD2 4.38Å; V129-F155 HydrophobicContact CG1-CG 4.12Å; V129-F155 HydrophobicContact CG2-CD2 3.67Å; V129-F155 HydrophobicContact CG2-CE2 3.93Å; V129-F155 HydrophobicContact CG2-CG 4.02Å; V129-F155 HydrophobicContact CG2-CZ 4.49Å; L150-F155 HydrophobicContact CD1-CE2 3.99Å; L150-F155 HydrophobicContact CD1-CZ 4.28Å; L150-F155 HydrophobicContact CG-CE2 4.35Å; D151-F155 VanDerWaalsContact O-CD2 3.31Å; D151-F155 WeakPolarHBondContact O-CD2 3.47Å; D151-F155 VanDerWaalsContact O-CE2 3.26Å; D151-F155 WeakPolarHBondContact O-CE2 3.37Å; F152-F155 PolarHBondContact O-N 3.31Å; F152-F155 VanDerWaalsContact O-N 3.17Å; T153-F155 PolarHBondContact O-N 2.94Å; F155-V157 HydrophobicContact CB-CG1 4.3Å; F155-V157 PolarHBondContact O-N 2.93Å
156	G	93.7	Very high	96.8	Very high	68 Å²	68	43.6 Å²	43.6	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	33.4	174.4	0	0	0	0	0	114	T153	T153-G156 PolarHBondContact O-N 3.27Å; T153-G156 VanDerWaalsContact O-N 3.11Å
157	V	94.6	Very high	96.8	Very high	32 Å²	32	41.3 Å²	41.3	19%	0.194	21%	0.21	C	C	.	.			trans	-72.5	146.3	-178.2	-55.2	0	0	0	0	111.6	V129 T133 F152 F155 K160	V129-V157 HydrophobicContact CG1-CG1 3.45Å; V129-V157 VanDerWaalsContact CG1-CG1 3.45Å; T133-V157 HydrophobicContact CG2-CB 4.04Å; T133-V157 HydrophobicContact CG2-CG1 3.75Å; F152-V157 HydrophobicContact CB-CG1 4.48Å; F152-V157 HydrophobicContact CB-CG2 3.94Å; F152-V157 HydrophobicContact CD1-CG1 4.21Å; F155-V157 HydrophobicContact CB-CG1 4.3Å; F155-V157 PolarHBondContact O-N 2.93Å; V157-K160 HydrophobicContact CG2-CG 4.4Å
158	K	90.3	Very high	96.8	Very high	222 Å²	222	42.7 Å²	42.7	97%	0.965	22%	0.215	S	C	*	.	S	Bend	trans	-70.9	-38.1	177.2	-66.4	-176.1	178.5	-177.4	0	112.9
159	R	90.9	Very high	96.8	Very high	91 Å²	91	44.3 Å²	44.3	34%	0.343	22%	0.223	S	C	.	.	S	Bend	trans	-134.8	128.3	-178.3	-168.5	178.2	-172.3	172.8	3.4	108.8	S74 D77	S74-R159 PolarHBondContact O-NH1 3.4Å; S74-R159 PolarHBondContact O-NH2 3.41Å; S74-R159 VanDerWaalsContact O-NH2 3.16Å; D77-R159 VanDerWaalsContact OD2-CD 3.3Å; D77-R159 WeakPolarHBondContact OD2-CD 3.49Å; D77-R159 IonicContact OD2-CZ 2.74Å; D77-R159 IonicContact OD2-NH1 3.94Å; D77-R159 PolarHBondContact OD2-NH1 3.43Å
160	K	95.7	Very high	96.8	Very high	96 Å²	96	44 Å²	44	42%	0.417	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-76.2	143.9	173.9	-62.6	-163.7	-67.3	177	0	109.9	T153 V157 E251	T153-K160 HydrophobicContact CG2-CD 3.61Å; V157-K160 HydrophobicContact CG2-CG 4.4Å; K160-E251 IonicContact NZ-OE1 3.01Å; K160-E251 PolarHBondContact NZ-OE1 2.91Å; K160-E251 IonicContact NZ-OE2 2.77Å; K160-E251 PolarHBondContact NZ-OE2 3.25Å
161	P	97.8	Very high	96.8	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.091	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-67.5	157.1	165.2	31.7	-34.5	0	0	0	110.2	V79 I81 V132 F152 Y163	V79-P161 HydrophobicContact CB-CB 4.29Å; V79-P161 HydrophobicContact CG1-CB 4.26Å; V79-P161 CarbonylContact O-C 3.59Å; V79-P161 WeakPolarHBondContact O-CA 3.19Å; I81-P161 HydrophobicContact CD1-CB 3.79Å; I81-P161 HydrophobicContact CD1-CG 3.54Å; I81-P161 HydrophobicContact CG1-CB 3.89Å; I81-P161 HydrophobicContact CG1-CG 4.2Å; V132-P161 HydrophobicContact CG1-CB 4.45Å; F152-P161 VanDerWaalsContact CD1-CD 3.5Å; F152-P161 HydrophobicContact CD1-CG 3.86Å; F152-P161 HydrophobicContact CD2-CG 3.88Å; F152-P161 HydrophobicContact CE1-CG 3.9Å; F152-P161 HydrophobicContact CE2-CG 3.92Å; F152-P161 HydrophobicContact CG-CG 3.88Å; F152-P161 HydrophobicContact CZ-CG 3.94Å; P161-Y163 HydrophobicContact CG-CD2 4.4Å; P161-Y163 HydrophobicContact CG-CE2 3.96Å
162	I	98.6	Very high	96.8	Very high	34 Å²	34	47.1 Å²	47.1	17%	0.174	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.6	173.5	-62.9	172.6	0	0	0	108	L78 V79 I80 I81 I164 M253 L272	L78-I162 HydrophobicContact CD2-CD1 3.92Å; V79-I162 PolarHBondContact O-N 3.27Å; I80-I162 CarbonylContact C-O 3.28Å; I80-I162 VanDerWaalsContact CA-O 3.3Å; I80-I162 WeakPolarHBondContact CA-O 3.49Å; I80-I162 HydrophobicContact CG1-CB 4.3Å; I81-I162 PolarHBondContact N-O 2.81Å; I162-I164 HydrophobicContact CG2-CG2 4.33Å; I162-M253 HydrophobicContact CG2-CB 3.69Å; I162-M253 HydrophobicContact CG2-CG 4.24Å; I162-M253 HydrophobicContact CG2-SD 3.52Å; I162-M253 VanDerWaalsContact CG2-SD 3.52Å; I162-L272 HydrophobicContact CD1-CD2 3.93Å; I162-L272 HydrophobicContact CG2-CD1 4.27Å
163	Y	98.9	Very high	96.8	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.3	173.4	-88.5	-89.4	0	0	0	111.3	I81 N83 F149 L150 F152 P161 Y252 M253	I81-Y163 HydrophobicContact CB-CD1 4.07Å; I81-Y163 HydrophobicContact CB-CE1 3.84Å; I81-Y163 HydrophobicContact CB-CE2 4.44Å; I81-Y163 HydrophobicContact CB-CG 4.48Å; I81-Y163 HydrophobicContact CD1-CE2 4.14Å; I81-Y163 HydrophobicContact CG2-CD1 3.95Å; I81-Y163 HydrophobicContact CG2-CE1 3.39Å; I81-Y163 WeakPolarHBondContact O-CA 3.24Å; N83-Y163 HydrophobicContact CB-CE1 4.25Å; F149-Y163 HydrophobicContact CD2-CD1 4.22Å; F149-Y163 HydrophobicContact CD2-CD2 4.45Å; F149-Y163 HydrophobicContact CD2-CE1 4.03Å; F149-Y163 HydrophobicContact CD2-CE2 4.28Å; F149-Y163 HydrophobicContact CD2-CG 4.42Å; F149-Y163 HydrophobicContact CE2-CD2 4.07Å; F149-Y163 AromaticContact CE2-CE2 3.97Å; F149-Y163 HydrophobicContact CE2-CE2 3.97Å; F149-Y163 HydrophobicContact CE2-CG 4.4Å; L150-Y163 PolarHBondContact O-OH 3Å; L150-Y163 VanDerWaalsContact O-OH 3.12Å; F152-Y163 HydrophobicContact CD2-CE2 4.3Å; F152-Y163 HydrophobicContact CE2-CE2 4.44Å; P161-Y163 HydrophobicContact CG-CD2 4.4Å; P161-Y163 HydrophobicContact CG-CE2 3.96Å; Y163-Y252 AromaticContact CD1-CE1 3.88Å; Y163-Y252 HydrophobicContact CD1-CE1 3.88Å; Y163-Y252 AromaticContact CD1-CZ 3.94Å; Y163-Y252 HydrophobicContact CG-CE1 4.29Å; Y163-M253 PolarHBondContact O-N 2.9Å
164	I	98.9	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.9	169.1	63.7	172.9	0	0	0	109.4	I80 I81 Y82 F93 F142 I162 M253 L254 F264 L268 F276	I80-I164 HydrophobicContact CG2-CD1 3.8Å; I80-I164 HydrophobicContact CG2-CG1 3.81Å; I81-I164 PolarHBondContact O-N 3.44Å; Y82-I164 HydrophobicContact CD2-CG1 4.34Å; F93-I164 HydrophobicContact CE1-CD1 3.79Å; F93-I164 HydrophobicContact CZ-CD1 3.77Å; F142-I164 HydrophobicContact CE2-CD1 3.97Å; I162-I164 HydrophobicContact CG2-CG2 4.33Å; I164-M253 HydrophobicContact CG2-CB 4.5Å; I164-L254 VanDerWaalsContact CA-O 3.29Å; I164-L254 WeakPolarHBondContact CA-O 2.98Å; I164-F264 HydrophobicContact CB-CZ 4.45Å; I164-L268 HydrophobicContact CD1-CD1 3.93Å; I164-L268 HydrophobicContact CG2-CD2 4.19Å; I164-F276 HydrophobicContact CD1-CZ 4.13Å
165	N	98.9	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	171.2	171.7	-136.2	-43.5	0	0	0	114	Y82 N83 F225 Y252 L254 V255 G256 F264	Y82-N165 WeakPolarHBondContact CE2-OD1 3.38Å; N83-N165 PolarHBondContact O-ND2 3Å; N83-N165 PolarHBondContact OD1-ND2 3.15Å; N165-F225 HydrophobicContact CB-CE1 4.12Å; N165-F225 HydrophobicContact CB-CE2 4.41Å; N165-F225 HydrophobicContact CB-CZ 3.57Å; N165-Y252 HydrophobicContact CB-CD1 4.13Å; N165-Y252 HydrophobicContact CB-CE1 3.83Å; N165-L254 PolarHBondContact N-O 3.5Å; N165-L254 VanDerWaalsContact N-O 3.16Å; N165-V255 HydrophobicContact CB-CG1 4.43Å; N165-V255 HydrophobicContact CB-CG2 4.46Å; N165-V255 WeakPolarHBondContact O-CA 3.45Å; N165-G256 PolarHBondContact O-N 3.02Å; N165-F264 WeakPolarHBondContact O-CZ 3.38Å
166	L	98.4	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.1	171.9	-77.6	164.1	0	0	0	109.1	T88 F93 G256 L261 F264	T88-L166 VanDerWaalsContact CB-O 3.28Å; T88-L166 WeakPolarHBondContact CB-O 3.48Å; T88-L166 PolarHBondContact OG1-O 3.31Å; F93-L166 HydrophobicContact CB-CD1 3.81Å; F93-L166 HydrophobicContact CD1-CD1 4.08Å; F93-L166 HydrophobicContact CD2-CD1 4.45Å; F93-L166 HydrophobicContact CG-CD1 3.85Å; L166-G256 WeakPolarHBondContact CA-O 3.25Å; L166-L261 HydrophobicContact CD1-CD1 3.44Å; L166-L261 VanDerWaalsContact CD1-CD1 3.44Å; L166-L261 HydrophobicContact CD2-CD1 3.94Å; L166-L261 HydrophobicContact CG-CD1 4.34Å; L166-F264 HydrophobicContact CD1-CD1 4.11Å; L166-F264 HydrophobicContact CD1-CE1 3.89Å; L166-F264 HydrophobicContact CD2-CB 4.3Å; L166-F264 HydrophobicContact CD2-CD1 3.62Å; L166-F264 HydrophobicContact CD2-CD2 4.21Å; L166-F264 HydrophobicContact CD2-CE1 3.85Å; L166-F264 HydrophobicContact CD2-CE2 4.43Å; L166-F264 HydrophobicContact CD2-CG 3.78Å; L166-F264 HydrophobicContact CD2-CZ 4.24Å; L166-F264 HydrophobicContact CG-CD1 3.98Å; L166-F264 HydrophobicContact CG-CE1 3.7Å; L166-F264 HydrophobicContact CG-CZ 4.08Å
167	I	98.8	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	178.8	175	65.8	167.8	0	0	0	111.2	F225 V255 G256 V257 T258 F320 Y321 A324	I167-F225 HydrophobicContact CG2-CE2 3.43Å; I167-F225 VanDerWaalsContact CG2-CE2 3.43Å; I167-F225 HydrophobicContact CG2-CZ 3.76Å; I167-V255 HydrophobicContact CG1-CG1 4.4Å; I167-V255 HydrophobicContact CG2-CG1 4.32Å; I167-G256 PolarHBondContact N-O 3.35Å; I167-V257 HydrophobicContact CG1-CG1 4.14Å; I167-V257 CarbonylContact O-C 3.28Å; I167-V257 WeakPolarHBondContact O-CA 3.32Å; I167-T258 PolarHBondContact O-N 2.68Å; I167-T258 PolarHBondContact O-OG1 3.25Å; I167-F320 HydrophobicContact CD1-CE1 4.42Å; I167-Y321 HydrophobicContact CD1-CD2 3.83Å; I167-Y321 HydrophobicContact CG1-CD2 4.14Å; I167-A324 HydrophobicContact CD1-CB 3.35Å; I167-A324 HydrophobicContact CG1-CB 4.41Å
168	R	98.4	Very high	97.4	Very high	35 Å²	35	35.3 Å²	35.3	13%	0.132	16%	0.156	C	C	.	.			trans	-149.3	160.2	179.2	-174.4	168	-174	167	4.4	110.1	T88 E172 R173 Q221 E259 Y321	T88-R168 HydrophobicContact CG2-CB 3.85Å; R168-E172 HydrophobicContact CG-CB 4.46Å; R168-E172 IonicContact CZ-OE2 3.61Å; R168-E172 IonicContact NE-OE2 3.73Å; R168-E172 PolarHBondContact NE-OE2 2.85Å; R168-E172 IonicContact NH2-OE2 3.79Å; R168-E172 PolarHBondContact NH2-OE2 3.46Å; R168-R173 HydrophobicContact CB-CB 4.23Å; R168-R173 HydrophobicContact CG-CB 4.43Å; R168-Q221 PolarHBondContact O-NE2 3.14Å; R168-Q221 PolarHBondContact O-OE1 3.2Å; R168-E259 WeakPolarHBondContact CG-OE1 3.31Å; R168-E259 IonicContact CZ-OE1 3.94Å; R168-E259 IonicContact NE-OE1 2.86Å; R168-E259 PolarHBondContact NE-OE1 3.03Å; R168-Y321 WeakPolarHBondContact O-CD2 3.21Å
169	D	98.6	Very high	97.7	Very high	34 Å²	34	24.9 Å²	24.9	18%	0.182	11%	0.11	C	C	.	.			trans	-42.4	127.1	164.7	172.1	-90.5	0	0	0	110.8	I171 E172 R173	D169-I171 VanDerWaalsContact C-N 3.33Å; D169-I171 PolarHBondContact O-N 2.88Å; D169-I171 WeakPolarHBondContact OD1-CA 3.43Å; D169-I171 WeakPolarHBondContact OD1-CB 3.48Å; D169-I171 PolarHBondContact OD1-N 2.75Å; D169-E172 HydrophobicContact CB-CB 4.1Å; D169-E172 HydrophobicContact CB-CG 4.09Å; D169-E172 PolarHBondContact O-N 3.45Å; D169-E172 WeakPolarHBondContact OD1-CG 3.1Å; D169-E172 PolarHBondContact OD1-N 3.18Å; D169-R173 VanDerWaalsContact O-CB 3.29Å; D169-R173 WeakPolarHBondContact O-CB 3.34Å; D169-R173 PolarHBondContact O-N 3.09Å
170	P	98.6	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-39.3	-173.5	-26.5	33.9	0	0	0	114.1	L174 L218 E317	P170-L174 WeakPolarHBondContact O-CB 3.27Å; P170-L174 PolarHBondContact O-N 3.25Å; P170-L174 VanDerWaalsContact O-N 3.07Å; P170-L218 HydrophobicContact CB-CD2 4.11Å; P170-L218 WeakPolarHBondContact O-CD2 3.25Å; P170-E317 HydrophobicContact CB-CB 3.93Å; P170-E317 HydrophobicContact CG-CB 3.76Å; P170-E317 WeakPolarHBondContact CG-O 3.5Å
171	I	98.5	Very high	97.9	Very high	9 Å²	9	18 Å²	18	5%	0.046	8%	0.084	C	C	.	.	H	α-helix	trans	-72.3	-48.9	-178.4	-64.7	179.8	0	0	0	109.4	D169 R173 L174 V175 L218 I305 L308 Q309	D169-I171 VanDerWaalsContact C-N 3.33Å; D169-I171 PolarHBondContact O-N 2.88Å; D169-I171 WeakPolarHBondContact OD1-CA 3.43Å; D169-I171 WeakPolarHBondContact OD1-CB 3.48Å; D169-I171 PolarHBondContact OD1-N 2.75Å; I171-R173 VanDerWaalsContact C-N 3.28Å; I171-R173 PolarHBondContact O-N 3.06Å; I171-L174 PolarHBondContact O-N 2.89Å; I171-L174 VanDerWaalsContact O-N 3.1Å; I171-V175 HydrophobicContact CG2-CG2 4.16Å; I171-V175 WeakPolarHBondContact O-CB 3.45Å; I171-V175 VanDerWaalsContact O-CG2 3.29Å; I171-V175 WeakPolarHBondContact O-CG2 3.47Å; I171-V175 PolarHBondContact O-N 2.75Å; I171-L218 HydrophobicContact CG1-CD2 4.24Å; I171-I305 HydrophobicContact CD1-CG2 4.09Å; I171-L308 HydrophobicContact CD1-CB 4.16Å; I171-L308 HydrophobicContact CD1-CD1 4.49Å; I171-L308 HydrophobicContact CG1-CD1 4.44Å; I171-L308 HydrophobicContact CG2-CD1 4.3Å; I171-Q309 HydrophobicContact CD1-CG 4.17Å
172	E	98.1	Very high	97.7	Very high	89 Å²	89	17.6 Å²	17.6	42%	0.416	8%	0.08	S	C	.	.	H	α-helix	trans	-60.4	-39.4	178.7	-68.9	-154.4	171.4	0	0	112.2	R168 D169 S176	R168-E172 HydrophobicContact CG-CB 4.46Å; R168-E172 IonicContact CZ-OE2 3.61Å; R168-E172 IonicContact NE-OE2 3.73Å; R168-E172 PolarHBondContact NE-OE2 2.85Å; R168-E172 IonicContact NH2-OE2 3.79Å; R168-E172 PolarHBondContact NH2-OE2 3.46Å; D169-E172 HydrophobicContact CB-CB 4.1Å; D169-E172 HydrophobicContact CB-CG 4.09Å; D169-E172 PolarHBondContact O-N 3.45Å; D169-E172 WeakPolarHBondContact OD1-CG 3.1Å; D169-E172 PolarHBondContact OD1-N 3.18Å; E172-S176 WeakPolarHBondContact O-CB 3.33Å; E172-S176 PolarHBondContact O-N 3.13Å
173	R	98.3	Very high	97.5	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.015	9%	0.085	C	C	.	.	H	α-helix	trans	-60.4	-47.5	173.2	-170.3	-160.2	62.2	67.5	-2.8	110.9	K87 T88 R168 D169 I171 S176 Y177 K217 L218 L220	K87-R173 HydrophobicContact CB-CG 4.29Å; T88-R173 HydrophobicContact CG2-CG 4.33Å; R168-R173 HydrophobicContact CB-CB 4.23Å; R168-R173 HydrophobicContact CG-CB 4.43Å; D169-R173 VanDerWaalsContact O-CB 3.29Å; D169-R173 WeakPolarHBondContact O-CB 3.34Å; D169-R173 PolarHBondContact O-N 3.09Å; I171-R173 VanDerWaalsContact C-N 3.28Å; I171-R173 PolarHBondContact O-N 3.06Å; R173-S176 WeakPolarHBondContact O-CB 3.46Å; R173-S176 PolarHBondContact O-N 3.35Å; R173-Y177 WeakPolarHBondContact O-CB 3.36Å; R173-Y177 PolarHBondContact O-N 2.75Å; R173-K217 PolarHBondContact NH2-O 2.9Å; R173-K217 VanDerWaalsContact NH2-O 3.12Å; R173-L218 PolarHBondContact NH2-O 3.01Å; R173-L218 VanDerWaalsContact NH2-O 3.14Å; R173-L220 VanDerWaalsContact CZ-CD2 3.42Å
174	L	98.3	Very high	97.2	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-45.1	178.8	178.2	58.9	0	0	0	111.8	P170 I171 S176 Y177 Y178 F202 K217 L218	P170-L174 WeakPolarHBondContact O-CB 3.27Å; P170-L174 PolarHBondContact O-N 3.25Å; P170-L174 VanDerWaalsContact O-N 3.07Å; I171-L174 PolarHBondContact O-N 2.89Å; I171-L174 VanDerWaalsContact O-N 3.1Å; L174-S176 VanDerWaalsContact C-N 3.33Å; L174-S176 PolarHBondContact O-N 2.84Å; L174-Y177 PolarHBondContact O-N 3.35Å; L174-Y177 VanDerWaalsContact O-N 3.15Å; L174-Y178 WeakPolarHBondContact O-CB 3.37Å; L174-Y178 PolarHBondContact O-N 3.17Å; L174-F202 HydrophobicContact CD2-CE2 4.33Å; L174-F202 HydrophobicContact CD2-CZ 4.25Å; L174-F202 HydrophobicContact CG-CE2 4.1Å; L174-F202 HydrophobicContact CG-CZ 4.37Å; L174-K217 HydrophobicContact CD1-CB 3.67Å; L174-K217 HydrophobicContact CD2-CB 4.18Å; L174-L218 HydrophobicContact CB-CD2 3.96Å; L174-L218 HydrophobicContact CD2-CD2 3.61Å; L174-L218 HydrophobicContact CD2-CG 3.96Å; L174-L218 HydrophobicContact CG-CD2 4.43Å
175	V	97.9	Very high	96.7	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.024	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-46	175.5	170.8	0	0	0	0	110.5	I171 Y177 Y178 Y179 F202 K297 P300	I171-V175 HydrophobicContact CG2-CG2 4.16Å; I171-V175 WeakPolarHBondContact O-CB 3.45Å; I171-V175 VanDerWaalsContact O-CG2 3.29Å; I171-V175 WeakPolarHBondContact O-CG2 3.47Å; I171-V175 PolarHBondContact O-N 2.75Å; V175-Y177 VanDerWaalsContact C-N 3.28Å; V175-Y177 PolarHBondContact O-N 2.9Å; V175-Y178 PolarHBondContact O-N 3.41Å; V175-Y179 HydrophobicContact CG1-CD2 3.75Å; V175-Y179 HydrophobicContact CG1-CE2 3.77Å; V175-Y179 WeakPolarHBondContact O-CD2 3.35Å; V175-Y179 PolarHBondContact O-N 2.8Å; V175-Y179 VanDerWaalsContact O-N 3.13Å; V175-F202 HydrophobicContact CG2-CD1 3.81Å; V175-F202 HydrophobicContact CG2-CD2 4.13Å; V175-F202 HydrophobicContact CG2-CE1 3.66Å; V175-F202 HydrophobicContact CG2-CE2 4Å; V175-F202 HydrophobicContact CG2-CG 4.03Å; V175-F202 HydrophobicContact CG2-CZ 3.76Å; V175-K297 HydrophobicContact CG1-CD 4.38Å; V175-K297 HydrophobicContact CG1-CG 4.29Å; V175-P300 HydrophobicContact CG2-CB 4.39Å; V175-P300 HydrophobicContact CG2-CG 4.1Å
176	S	96.7	Very high	96.2	Very high	10 Å²	10	22.6 Å²	22.6	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-40.1	176.5	-176.5	0	0	0	0	111.9	K87 E172 R173 L174 F180 T294	K87-S176 WeakPolarHBondContact CE-O 3.45Å; K87-S176 WeakPolarHBondContact CE-OG 3.27Å; E172-S176 WeakPolarHBondContact O-CB 3.33Å; E172-S176 PolarHBondContact O-N 3.13Å; R173-S176 WeakPolarHBondContact O-CB 3.46Å; R173-S176 PolarHBondContact O-N 3.35Å; L174-S176 VanDerWaalsContact C-N 3.33Å; L174-S176 PolarHBondContact O-N 2.84Å; S176-F180 WeakPolarHBondContact O-CB 3.4Å; S176-F180 PolarHBondContact O-N 3.07Å; S176-F180 VanDerWaalsContact O-N 3.13Å; S176-T294 PolarHBondContact O-OG1 3.46Å
177	Y	96.9	Very high	95.5	Very high	86 Å²	86	27.3 Å²	27.3	34%	0.337	13%	0.125	S	C	.	.	H	α-helix	trans	-71.2	-42	176.2	-173.4	-111.4	0	0	0	113	K87 R173 L174 V175 Y179 F180 L181	K87-Y177 HydrophobicContact CG-CD2 3.96Å; K87-Y177 HydrophobicContact CG-CG 4.46Å; R173-Y177 WeakPolarHBondContact O-CB 3.36Å; R173-Y177 PolarHBondContact O-N 2.75Å; L174-Y177 PolarHBondContact O-N 3.35Å; L174-Y177 VanDerWaalsContact O-N 3.15Å; V175-Y177 VanDerWaalsContact C-N 3.28Å; V175-Y177 PolarHBondContact O-N 2.9Å; Y177-Y179 PolarHBondContact O-N 3.17Å; Y177-F180 HydrophobicContact CD2-CD1 4.08Å; Y177-F180 HydrophobicContact CE2-CD1 4.24Å; Y177-F180 HydrophobicContact CE2-CE1 4.49Å; Y177-F180 WeakPolarHBondContact O-CB 3.3Å; Y177-F180 PolarHBondContact O-N 3.43Å; Y177-L181 HydrophobicContact CD1-CD1 4.22Å; Y177-L181 HydrophobicContact CE1-CD1 3.63Å; Y177-L181 HydrophobicContact CE1-CG 4.23Å; Y177-L181 HydrophobicContact CE2-CD2 4.34Å; Y177-L181 HydrophobicContact CE2-CG 4.4Å; Y177-L181 PolarHBondContact O-N 2.88Å; Y177-L181 VanDerWaalsContact O-N 3.1Å
178	Y	97.6	Very high	94.8	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-56.9	-49.7	179.5	177	-89.3	0	0	0	111.6	L174 V175 R182 K200 T201 F202 C205 D212 C213	L174-Y178 WeakPolarHBondContact O-CB 3.37Å; L174-Y178 PolarHBondContact O-N 3.17Å; V175-Y178 PolarHBondContact O-N 3.41Å; Y178-R182 VanDerWaalsContact CD2-NH1 3.26Å; Y178-R182 VanDerWaalsContact CZ-NE 3.28Å; Y178-R182 PolarHBondContact O-NH1 3.22Å; Y178-R182 VanDerWaalsContact OH-CZ 3.28Å; Y178-R182 PolarHBondContact OH-NE 2.88Å; Y178-R182 PolarHBondContact OH-NH2 2.81Å; Y178-K200 WeakPolarHBondContact CE1-O 3.29Å; Y178-K200 PolarHBondContact OH-O 2.82Å; Y178-T201 PolarHBondContact OH-O 3.07Å; Y178-F202 HydrophobicContact CD1-CB 4.04Å; Y178-F202 AromaticContact CD1-CD2 3.93Å; Y178-F202 HydrophobicContact CD1-CD2 3.93Å; Y178-F202 AromaticContact CD2-CD2 3.89Å; Y178-F202 HydrophobicContact CD2-CD2 3.89Å; Y178-F202 HydrophobicContact CD2-CE2 4.44Å; Y178-F202 HydrophobicContact CE1-CB 4.12Å; Y178-F202 HydrophobicContact CE1-CD2 4.49Å; Y178-F202 HydrophobicContact CE2-CD2 4.44Å; Y178-F202 AromaticContact CG-CD2 3.62Å; Y178-F202 HydrophobicContact CG-CD2 3.62Å; Y178-F202 HydrophobicContact CG-CE2 4.36Å; Y178-C205 HydrophobicContact CE2-CB 3.85Å; Y178-D212 HydrophobicContact CD2-CB 3.96Å; Y178-D212 HydrophobicContact CE2-CB 3.99Å; Y178-C213 HydrophobicContact CD2-CB 4.47Å; Y178-C213 HydrophobicContact CE2-CB 4.49Å
179	Y	97.2	Very high	94	Very high	3 Å²	3	37 Å²	37	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-75	-31.6	179.7	-74	-58	0	0	0	112.7	V175 Y177 L181 R182 F183 F202 E296 K297 K298	V175-Y179 HydrophobicContact CG1-CD2 3.75Å; V175-Y179 HydrophobicContact CG1-CE2 3.77Å; V175-Y179 WeakPolarHBondContact O-CD2 3.35Å; V175-Y179 PolarHBondContact O-N 2.8Å; V175-Y179 VanDerWaalsContact O-N 3.13Å; Y177-Y179 PolarHBondContact O-N 3.17Å; Y179-L181 VanDerWaalsContact C-N 3.3Å; Y179-L181 PolarHBondContact O-N 3.28Å; Y179-R182 PolarHBondContact O-N 3.42Å; Y179-F183 AromaticContact CD1-CD2 3.87Å; Y179-F183 HydrophobicContact CD1-CD2 3.87Å; Y179-F183 AromaticContact CD1-CE2 3.53Å; Y179-F183 HydrophobicContact CD1-CE2 3.53Å; Y179-F183 HydrophobicContact CE1-CE2 4.07Å; Y179-F183 PolarHBondContact O-N 3.17Å; Y179-F202 HydrophobicContact CE2-CB 3.87Å; Y179-F202 WeakPolarHBondContact OH-CB 3.35Å; Y179-F202 PolarHBondContact OH-N 3.23Å; Y179-E296 WeakPolarHBondContact CB-O 3.49Å; Y179-K297 HydrophobicContact CD2-CB 4.41Å; Y179-K297 HydrophobicContact CD2-CG 3.81Å; Y179-K297 HydrophobicContact CE2-CG 4.37Å; Y179-K298 HydrophobicContact CE2-CB 4.45Å; Y179-K298 VanDerWaalsContact CE2-O 3.25Å; Y179-K298 WeakPolarHBondContact CE2-O 3.37Å
180	F	95.3	Very high	93.2	Very high	29 Å²	29	39.2 Å²	39.2	13%	0.127	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-40.8	173	163.8	-107.1	0	0	0	112.5	K87 S176 Y177 R182 G184 D185 R193 T294	K87-F180 HydrophobicContact CD-CB 4.38Å; K87-F180 HydrophobicContact CD-CD1 4.37Å; K87-F180 HydrophobicContact CD-CG 4.28Å; S176-F180 WeakPolarHBondContact O-CB 3.4Å; S176-F180 PolarHBondContact O-N 3.07Å; S176-F180 VanDerWaalsContact O-N 3.13Å; Y177-F180 HydrophobicContact CD2-CD1 4.08Å; Y177-F180 HydrophobicContact CE2-CD1 4.24Å; Y177-F180 HydrophobicContact CE2-CE1 4.49Å; Y177-F180 WeakPolarHBondContact O-CB 3.3Å; Y177-F180 PolarHBondContact O-N 3.43Å; F180-R182 PolarHBondContact O-N 3.16Å; F180-G184 WeakPolarHBondContact O-CA 3.47Å; F180-G184 PolarHBondContact O-N 3Å; F180-D185 HydrophobicContact CD2-CB 4.28Å; F180-D185 HydrophobicContact CE2-CB 4.25Å; F180-D185 VanDerWaalsContact CE2-OD2 3.24Å; F180-D185 WeakPolarHBondContact CE2-OD2 3.39Å; F180-R193 VanDerWaalsContact CZ-NH1 3.3Å; F180-T294 HydrophobicContact CB-CG2 4.34Å
181	L	94.5	Very high	92.6	Very high	15 Å²	15	42.6 Å²	42.6	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-20.1	177.7	-69	-179.8	0	0	0	113.8	Y177 Y179 R193 K195 Q196	Y177-L181 HydrophobicContact CD1-CD1 4.22Å; Y177-L181 HydrophobicContact CE1-CD1 3.63Å; Y177-L181 HydrophobicContact CE1-CG 4.23Å; Y177-L181 HydrophobicContact CE2-CD2 4.34Å; Y177-L181 HydrophobicContact CE2-CG 4.4Å; Y177-L181 PolarHBondContact O-N 2.88Å; Y177-L181 VanDerWaalsContact O-N 3.1Å; Y179-L181 VanDerWaalsContact C-N 3.3Å; Y179-L181 PolarHBondContact O-N 3.28Å; L181-R193 WeakPolarHBondContact O-CB 3.23Å; L181-K195 HydrophobicContact CB-CB 4.13Å; L181-K195 HydrophobicContact CB-CG 4.25Å; L181-K195 CarbonylContact O-C 3.21Å; L181-K195 VanDerWaalsContact O-C 3.28Å; L181-K195 WeakPolarHBondContact O-CA 3.28Å; L181-K195 WeakPolarHBondContact O-CB 3.38Å; L181-K195 PolarHBondContact O-N 3.37Å; L181-K195 VanDerWaalsContact O-N 3.12Å; L181-Q196 PolarHBondContact O-N 2.98Å
182	R	95.3	Very high	92.1	Very high	5 Å²	5	52 Å²	52	2%	0.019	26%	0.259	C	S	.	.	H	α-helix	trans	-97.9	-41.2	-176.7	-69.1	174	170.6	63.6	9.2	112.8	Y178 Y179 F180 K195 Q196 D198 D212	Y178-R182 VanDerWaalsContact CD2-NH1 3.26Å; Y178-R182 VanDerWaalsContact CZ-NE 3.28Å; Y178-R182 PolarHBondContact O-NH1 3.22Å; Y178-R182 VanDerWaalsContact OH-CZ 3.28Å; Y178-R182 PolarHBondContact OH-NE 2.88Å; Y178-R182 PolarHBondContact OH-NH2 2.81Å; Y179-R182 PolarHBondContact O-N 3.42Å; F180-R182 PolarHBondContact O-N 3.16Å; R182-K195 HydrophobicContact CG-CB 4.27Å; R182-Q196 WeakPolarHBondContact O-CA 3.38Å; R182-D198 WeakPolarHBondContact CD-O 3.49Å; R182-D198 HydrophobicContact CG-CB 4.21Å; R182-D198 IonicContact CZ-OD2 3.89Å; R182-D198 VanDerWaalsContact CZ-OD2 3.29Å; R182-D198 IonicContact NE-OD1 3.31Å; R182-D198 IonicContact NE-OD2 2.69Å; R182-D198 PolarHBondContact NE-OD2 2.76Å; R182-D198 VanDerWaalsContact NE-OD2 3.17Å; R182-D198 IonicContact NH2-OD2 3.09Å; R182-D198 PolarHBondContact NH2-OD2 2.78Å; R182-D212 IonicContact CZ-OD2 3.61Å; R182-D212 IonicContact NH1-OD2 3.61Å; R182-D212 IonicContact NH2-OD2 2.67Å; R182-D212 PolarHBondContact NH2-OD2 3.41Å; R182-D212 VanDerWaalsContact NH2-OD2 3.09Å
183	F	93.3	Very high	91.7	Very high	60 Å²	60	49.6 Å²	49.6	26%	0.263	25%	0.246	S	C	.	.	H	α-helix	trans	-117.7	-7.7	-170.1	-55.7	-60.1	0	0	0	114.1	Y179 S295 E296	Y179-F183 AromaticContact CD1-CD2 3.87Å; Y179-F183 HydrophobicContact CD1-CD2 3.87Å; Y179-F183 AromaticContact CD1-CE2 3.53Å; Y179-F183 HydrophobicContact CD1-CE2 3.53Å; Y179-F183 HydrophobicContact CE1-CE2 4.07Å; Y179-F183 PolarHBondContact O-N 3.17Å; F183-S295 PolarHBondContact O-OG 2.67Å; F183-E296 HydrophobicContact CB-CB 4.12Å; F183-E296 HydrophobicContact CD1-CB 4.32Å; F183-E296 HydrophobicContact CD2-CB 3.7Å; F183-E296 WeakPolarHBondContact CD2-O 3.36Å; F183-E296 HydrophobicContact CE2-CB 4.11Å; F183-E296 HydrophobicContact CG-CB 3.8Å; F183-E296 HydrophobicContact CG-CG 4.49Å
184	G	92	Very high	91.4	Very high	6 Å²	6	58.1 Å²	58.1	6%	0.062	28%	0.278	C	S	.	.			trans	76.2	-154.3	179.6	0	0	0	0	0	113.9	F180	F180-G184 WeakPolarHBondContact O-CA 3.47Å; F180-G184 PolarHBondContact O-N 3Å
185	D	90.1	Very high	91.1	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-140	159.8	-179.9	63.5	66	0	0	0	110.9	F180 Y187 R188 P189 R193 R292 R293	F180-D185 HydrophobicContact CD2-CB 4.28Å; F180-D185 HydrophobicContact CE2-CB 4.25Å; F180-D185 VanDerWaalsContact CE2-OD2 3.24Å; F180-D185 WeakPolarHBondContact CE2-OD2 3.39Å; D185-Y187 VanDerWaalsContact C-N 3.3Å; D185-Y187 WeakPolarHBondContact OD1-CA 3.34Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.44Å; D185-Y187 PolarHBondContact OD1-N 2.81Å; D185-R188 PolarHBondContact OD1-N 2.83Å; D185-P189 WeakPolarHBondContact O-CA 3.37Å; D185-R193 VanDerWaalsContact CG-NH2 3.31Å; D185-R193 IonicContact OD1-NH2 3.88Å; D185-R193 IonicContact OD2-CZ 3.17Å; D185-R193 IonicContact OD2-NH1 2.7Å; D185-R193 IonicContact OD2-NH2 3.88Å; D185-R193 PolarHBondContact OD2-NH2 2.75Å; D185-R292 HydrophobicContact CB-CB 4.5Å; D185-R292 HydrophobicContact CB-CG 3.53Å; D185-R292 VanDerWaalsContact CG-CG 3.48Å; D185-R292 IonicContact OD1-NH1 3.49Å; D185-R292 IonicContact OD2-CZ 2.75Å; D185-R292 IonicContact OD2-NH1 3.89Å; D185-R292 PolarHBondContact OD2-NH1 2.93Å; D185-R293 VanDerWaalsContact CA-O 3.27Å; D185-R293 WeakPolarHBondContact CA-O 3.29Å
186	D	87.2	Confident	90.7	Very high	80 Å²	80	65.6 Å²	65.6	43%	0.428	31%	0.312	S	S	.	.	S	Bend	trans	-74.7	-15.1	177.6	61.2	-0.7	0	0	0	114.3	R292 R293	D186-R292 WeakPolarHBondContact OD1-CA 3.37Å; D186-R292 PolarHBondContact OD1-N 2.96Å; D186-R292 VanDerWaalsContact OD1-N 3.07Å; D186-R293 PolarHBondContact N-O 3.21Å; D186-R293 VanDerWaalsContact N-O 3.17Å; D186-R293 PolarHBondContact OD1-N 2.92Å; D186-R293 WeakPolarHBondContact OD2-CB 3.35Å
187	Y	83.3	Confident	90.3	Very high	99 Å²	99	68.2 Å²	68.2	39%	0.388	34%	0.34	S	S	.	.	S	Bend	trans	-80.9	-35.4	-176.7	-172.9	-105	0	0	0	112.4	D185 L291 R292	D185-Y187 VanDerWaalsContact C-N 3.3Å; D185-Y187 WeakPolarHBondContact OD1-CA 3.34Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.44Å; D185-Y187 PolarHBondContact OD1-N 2.81Å; Y187-L291 HydrophobicContact CD2-CB 4.35Å; Y187-L291 HydrophobicContact CD2-CD1 4.45Å; Y187-L291 HydrophobicContact CD2-CD2 4.16Å; Y187-L291 HydrophobicContact CE2-CD1 4.11Å; Y187-L291 HydrophobicContact CE2-CD2 4.42Å; Y187-R292 VanDerWaalsContact CD1-NH2 3.29Å
188	R	84.7	Confident	90.1	Very high	134 Å²	134	66.8 Å²	66.8	51%	0.506	34%	0.338	S	S	.	.	S	Bend	trans	-137.9	72.1	175.5	-66.9	178.6	72.3	-174.2	3.7	109.8	D185 G190 L191 R193	D185-R188 PolarHBondContact OD1-N 2.83Å; R188-G190 VanDerWaalsContact C-N 3.31Å; R188-G190 PolarHBondContact O-N 2.79Å; R188-L191 HydrophobicContact CB-CD1 4.05Å; R188-L191 HydrophobicContact CB-CG 4.31Å; R188-L191 PolarHBondContact O-N 2.93Å; R188-R193 PolarHBondContact O-NH2 2.64Å
189	P	81.9	Confident	89.7	Confident	105 Å²	105	75.4 Å²	75.4	68%	0.682	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.5	-172.1	26.1	-34.4	0	0	0	113.5	D185 L191	D185-P189 WeakPolarHBondContact O-CA 3.37Å; P189-L191 PolarHBondContact O-N 2.88Å
190	G	81.5	Confident	89.6	Confident	81 Å²	81	78.6 Å²	78.6	84%	0.835	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.8	179.5	0	0	0	0	0	115.2	R188	R188-G190 VanDerWaalsContact C-N 3.31Å; R188-G190 PolarHBondContact O-N 2.79Å
191	L	86.4	Confident	89.7	Confident	70 Å²	70	78 Å²	78	37%	0.366	39%	0.388	S	S	.	.	S	Bend	trans	-87.8	116.1	-179.6	-72.7	-176.6	0	0	0	112.1	R188 P189 R193	R188-L191 HydrophobicContact CB-CD1 4.05Å; R188-L191 HydrophobicContact CB-CG 4.31Å; R188-L191 PolarHBondContact O-N 2.93Å; P189-L191 PolarHBondContact O-N 2.88Å; L191-R193 PolarHBondContact O-N 3.37Å; L191-R193 PolarHBondContact O-NE 2.89Å
192	R	87.4	Confident	89.9	Confident	208 Å²	208	77.2 Å²	77.2	79%	0.785	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-66.1	125.4	173.8	-161.1	-176.7	176	166.5	-2.8	110.9	Q196	R192-Q196 HydrophobicContact CG-CB 4.24Å
193	R	90.2	Very high	90	Very high	38 Å²	38	78.1 Å²	78.1	14%	0.143	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-89.5	155.5	179.7	-54.5	-58.3	168.5	161.3	5.3	111.4	F180 L181 D185 R188 L191 K195 Q196	F180-R193 VanDerWaalsContact CZ-NH1 3.3Å; L181-R193 WeakPolarHBondContact O-CB 3.23Å; D185-R193 VanDerWaalsContact CG-NH2 3.31Å; D185-R193 IonicContact OD1-NH2 3.88Å; D185-R193 IonicContact OD2-CZ 3.17Å; D185-R193 IonicContact OD2-NH1 2.7Å; D185-R193 IonicContact OD2-NH2 3.88Å; D185-R193 PolarHBondContact OD2-NH2 2.75Å; R188-R193 PolarHBondContact O-NH2 2.64Å; L191-R193 PolarHBondContact O-N 3.37Å; L191-R193 PolarHBondContact O-NE 2.89Å; R193-K195 PolarHBondContact O-N 3.09Å; R193-K195 VanDerWaalsContact O-N 3.1Å; R193-Q196 HydrophobicContact CB-CB 4.45Å; R193-Q196 WeakPolarHBondContact O-CB 2.96Å; R193-Q196 PolarHBondContact O-N 3.27Å
194	R	90.9	Very high	90.2	Very high	183 Å²	183	80 Å²	80	69%	0.691	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.9	-173	-171	-179.5	70.5	172.8	2.6	113.7
195	K	92.4	Very high	90.5	Very high	76 Å²	76	79.9 Å²	79.9	33%	0.33	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	20.2	-177.1	-60	-71.4	-165.8	165.5	0	112	L181 R182 R193 G197 D198 D212	L181-K195 HydrophobicContact CB-CB 4.13Å; L181-K195 HydrophobicContact CB-CG 4.25Å; L181-K195 CarbonylContact O-C 3.21Å; L181-K195 VanDerWaalsContact O-C 3.28Å; L181-K195 WeakPolarHBondContact O-CA 3.28Å; L181-K195 WeakPolarHBondContact O-CB 3.38Å; L181-K195 PolarHBondContact O-N 3.37Å; L181-K195 VanDerWaalsContact O-N 3.12Å; R182-K195 HydrophobicContact CG-CB 4.27Å; R193-K195 PolarHBondContact O-N 3.09Å; R193-K195 VanDerWaalsContact O-N 3.1Å; K195-G197 PolarHBondContact O-N 2.96Å; K195-D198 WeakPolarHBondContact O-CB 3.45Å; K195-D198 PolarHBondContact O-N 3.25Å; K195-D212 WeakPolarHBondContact CE-OD2 3.14Å; K195-D212 IonicContact NZ-OD2 2.67Å
196	Q	89.8	Confident	90.9	Very high	88 Å²	88	80.2 Å²	80.2	41%	0.411	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	130.7	-178.7	-174.3	168.7	2.9	0	0	111.5	L181 R182 R192 R193	L181-Q196 PolarHBondContact O-N 2.98Å; R182-Q196 WeakPolarHBondContact O-CA 3.38Å; R192-Q196 HydrophobicContact CG-CB 4.24Å; R193-Q196 HydrophobicContact CB-CB 4.45Å; R193-Q196 WeakPolarHBondContact O-CB 2.96Å; R193-Q196 PolarHBondContact O-N 3.27Å
197	G	88.2	Confident	91.4	Very high	64 Å²	64	79.9 Å²	79.9	66%	0.66	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-13.4	-174	0	0	0	0	0	114	K195 K199	K195-G197 PolarHBondContact O-N 2.96Å; G197-K199 PolarHBondContact O-N 2.95Å
198	D	92.2	Very high	92	Very high	56 Å²	56	78.4 Å²	78.4	30%	0.299	41%	0.412	S	S	.	.			trans	-74.4	112.7	169	-177.7	-3.6	0	0	0	109.8	R182 K195 K200	R182-D198 WeakPolarHBondContact CD-O 3.49Å; R182-D198 HydrophobicContact CG-CB 4.21Å; R182-D198 IonicContact CZ-OD2 3.89Å; R182-D198 VanDerWaalsContact CZ-OD2 3.29Å; R182-D198 IonicContact NE-OD1 3.31Å; R182-D198 IonicContact NE-OD2 2.69Å; R182-D198 PolarHBondContact NE-OD2 2.76Å; R182-D198 VanDerWaalsContact NE-OD2 3.17Å; R182-D198 IonicContact NH2-OD2 3.09Å; R182-D198 PolarHBondContact NH2-OD2 2.78Å; K195-D198 WeakPolarHBondContact O-CB 3.45Å; K195-D198 PolarHBondContact O-N 3.25Å; D198-K200 WeakPolarHBondContact OD1-CB 3.3Å; D198-K200 PolarHBondContact OD1-N 3Å
199	K	91.1	Very high	92.6	Very high	183 Å²	183	75.1 Å²	75.1	80%	0.796	42%	0.42	S	S	*	.			trans	-90.5	-5.2	-178	-63.3	-176.7	179.7	-178.7	0	113.3	G197 T201	G197-K199 PolarHBondContact O-N 2.95Å; K199-T201 PolarHBondContact O-N 3.12Å
200	K	94.8	Very high	93.3	Very high	69 Å²	69	71 Å²	71	30%	0.3	40%	0.396	S	S	.	.			trans	-61.6	127.1	-176.6	-168.2	177	-172.7	-176.8	0	110.5	Y178 D198 E204 C205 A208	Y178-K200 WeakPolarHBondContact CE1-O 3.29Å; Y178-K200 PolarHBondContact OH-O 2.82Å; D198-K200 WeakPolarHBondContact OD1-CB 3.3Å; D198-K200 PolarHBondContact OD1-N 3Å; K200-E204 WeakPolarHBondContact CA-OE2 3.3Å; K200-E204 HydrophobicContact CD-CB 4.44Å; K200-E204 WeakPolarHBondContact CE-O 3.15Å; K200-E204 HydrophobicContact CG-CB 3.7Å; K200-E204 WeakPolarHBondContact CG-OE2 3.44Å; K200-E204 PolarHBondContact NZ-O 2.77Å; K200-C205 HydrophobicContact CD-CB 4.46Å; K200-A208 VanDerWaalsContact NZ-CB 3.27Å
201	T	97	Very high	94	Very high	16 Å²	16	71.2 Å²	71.2	10%	0.098	39%	0.385	C	S	.	.			trans	-70.8	162.5	178.6	65	0	0	0	0	111.5	Y178 K199 D203 E204 C205 K298	Y178-T201 PolarHBondContact OH-O 3.07Å; K199-T201 PolarHBondContact O-N 3.12Å; T201-D203 VanDerWaalsContact C-N 3.29Å; T201-D203 PolarHBondContact O-N 3.21Å; T201-E204 WeakPolarHBondContact CG2-OE1 3.41Å; T201-E204 PolarHBondContact N-OE2 2.87Å; T201-E204 PolarHBondContact O-N 3.04Å; T201-E204 WeakPolarHBondContact OG1-CB 3.32Å; T201-E204 WeakPolarHBondContact OG1-CG 3.33Å; T201-E204 PolarHBondContact OG1-N 3.43Å; T201-E204 PolarHBondContact OG1-OE1 3.42Å; T201-C205 WeakPolarHBondContact O-CB 3.37Å; T201-C205 PolarHBondContact O-N 2.89Å; T201-K298 HydrophobicContact CG2-CD 4.06Å
202	F	98	Very high	94.5	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-42.6	176.2	-174.9	-97.5	0	0	0	110.9	L174 V175 Y178 Y179 C205 V206 C213 P300 L308	L174-F202 HydrophobicContact CD2-CE2 4.33Å; L174-F202 HydrophobicContact CD2-CZ 4.25Å; L174-F202 HydrophobicContact CG-CE2 4.1Å; L174-F202 HydrophobicContact CG-CZ 4.37Å; V175-F202 HydrophobicContact CG2-CD1 3.81Å; V175-F202 HydrophobicContact CG2-CD2 4.13Å; V175-F202 HydrophobicContact CG2-CE1 3.66Å; V175-F202 HydrophobicContact CG2-CE2 4Å; V175-F202 HydrophobicContact CG2-CG 4.03Å; V175-F202 HydrophobicContact CG2-CZ 3.76Å; Y178-F202 HydrophobicContact CD1-CB 4.04Å; Y178-F202 AromaticContact CD1-CD2 3.93Å; Y178-F202 HydrophobicContact CD1-CD2 3.93Å; Y178-F202 AromaticContact CD2-CD2 3.89Å; Y178-F202 HydrophobicContact CD2-CD2 3.89Å; Y178-F202 HydrophobicContact CD2-CE2 4.44Å; Y178-F202 HydrophobicContact CE1-CB 4.12Å; Y178-F202 HydrophobicContact CE1-CD2 4.49Å; Y178-F202 HydrophobicContact CE2-CD2 4.44Å; Y178-F202 AromaticContact CG-CD2 3.62Å; Y178-F202 HydrophobicContact CG-CD2 3.62Å; Y178-F202 HydrophobicContact CG-CE2 4.36Å; Y179-F202 HydrophobicContact CE2-CB 3.87Å; Y179-F202 WeakPolarHBondContact OH-CB 3.35Å; Y179-F202 PolarHBondContact OH-N 3.23Å; F202-C205 WeakPolarHBondContact O-CA 3.36Å; F202-C205 VanDerWaalsContact O-CB 3.28Å; F202-C205 WeakPolarHBondContact O-CB 3.33Å; F202-C205 PolarHBondContact O-N 3.35Å; F202-C205 VanDerWaalsContact O-N 3.11Å; F202-V206 HydrophobicContact CD1-CG2 3.97Å; F202-V206 HydrophobicContact CE1-CG2 3.61Å; F202-V206 HydrophobicContact CZ-CG2 3.95Å; F202-V206 WeakPolarHBondContact O-CG2 3.35Å; F202-V206 PolarHBondContact O-N 2.69Å; F202-C213 HydrophobicContact CD2-CB 4.11Å; F202-C213 HydrophobicContact CE2-CB 3.68Å; F202-C213 HydrophobicContact CZ-CB 4.18Å; F202-P300 HydrophobicContact CD1-CB 4.04Å; F202-P300 HydrophobicContact CE1-CB 4.39Å; F202-L308 HydrophobicContact CE1-CD1 3.84Å; F202-L308 HydrophobicContact CZ-CD1 3.82Å
203	D	97.9	Very high	95	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.128	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-47.5	176.9	-61	-81.3	0	0	0	112.7	T201 C205 V206 S207 T301 S304	T201-D203 VanDerWaalsContact C-N 3.29Å; T201-D203 PolarHBondContact O-N 3.21Å; D203-C205 PolarHBondContact O-N 3.47Å; D203-V206 PolarHBondContact O-N 2.94Å; D203-V206 VanDerWaalsContact O-N 3.14Å; D203-S207 WeakPolarHBondContact O-CB 3.21Å; D203-S207 PolarHBondContact O-N 2.92Å; D203-S207 PolarHBondContact O-OG 3.16Å; D203-T301 HydrophobicContact CB-CG2 4.45Å; D203-T301 VanDerWaalsContact OD1-CB 3.3Å; D203-T301 WeakPolarHBondContact OD1-CB 3.2Å; D203-T301 WeakPolarHBondContact OD1-CG2 3.32Å; D203-T301 PolarHBondContact OD1-N 3.41Å; D203-T301 PolarHBondContact OD1-OG1 2.95Å; D203-S304 WeakPolarHBondContact CA-OG 3.37Å; D203-S304 WeakPolarHBondContact OD1-CB 3.44Å; D203-S304 PolarHBondContact OD1-OG 3.15Å
204	E	97.8	Very high	95.3	Very high	98 Å²	98	58.5 Å²	58.5	46%	0.458	34%	0.338	S	S	.	.	H	α-helix	trans	-58.6	-35.8	173.4	-74.6	155.7	-146.9	0	0	111.9	K200 T201 A208	K200-E204 WeakPolarHBondContact CA-OE2 3.3Å; K200-E204 HydrophobicContact CD-CB 4.44Å; K200-E204 WeakPolarHBondContact CE-O 3.15Å; K200-E204 HydrophobicContact CG-CB 3.7Å; K200-E204 WeakPolarHBondContact CG-OE2 3.44Å; K200-E204 PolarHBondContact NZ-O 2.77Å; T201-E204 WeakPolarHBondContact CG2-OE1 3.41Å; T201-E204 PolarHBondContact N-OE2 2.87Å; T201-E204 PolarHBondContact O-N 3.04Å; T201-E204 WeakPolarHBondContact OG1-CB 3.32Å; T201-E204 WeakPolarHBondContact OG1-CG 3.33Å; T201-E204 PolarHBondContact OG1-N 3.43Å; T201-E204 PolarHBondContact OG1-OE1 3.42Å; E204-A208 VanDerWaalsContact O-CB 3.23Å; E204-A208 WeakPolarHBondContact O-CB 3.13Å; E204-A208 PolarHBondContact O-N 3.1Å; E204-A208 VanDerWaalsContact O-N 3.16Å
205	C	98.1	Very high	95.7	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-50	175.6	-178.5	0	0	0	0	110.5	Y178 K200 T201 F202 D203 A208 G209 G210 C213	Y178-C205 HydrophobicContact CE2-CB 3.85Å; K200-C205 HydrophobicContact CD-CB 4.46Å; T201-C205 WeakPolarHBondContact O-CB 3.37Å; T201-C205 PolarHBondContact O-N 2.89Å; F202-C205 WeakPolarHBondContact O-CA 3.36Å; F202-C205 VanDerWaalsContact O-CB 3.28Å; F202-C205 WeakPolarHBondContact O-CB 3.33Å; F202-C205 PolarHBondContact O-N 3.35Å; F202-C205 VanDerWaalsContact O-N 3.11Å; D203-C205 PolarHBondContact O-N 3.47Å; C205-A208 CarbonylContact O-C 3.6Å; C205-A208 PolarHBondContact O-N 3.43Å; C205-G209 PolarHBondContact O-N 3.45Å; C205-G209 VanDerWaalsContact O-N 3.08Å; C205-G210 PolarHBondContact O-N 3.39Å; C205-C213 VanDerWaalsContact CA-SG 3.57Å; C205-C213 HydrophobicContact CB-CB 3.88Å; C205-C213 WeakPolarHBondContact CB-SG 3.31Å; C205-C213 PolarHBondContact O-SG 2.67Å; C205-C213 WeakPolarHBondContact SG-CB 3.33Å; C205-C213 CovalentContact SG-SG 2.04Å; C205-C213 PolarHBondContact SG-SG 3.29Å
206	V	97.9	Very high	95.9	Very high	8 Å²	8	52.9 Å²	52.9	5%	0.048	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-43.7	-178.2	168.8	0	0	0	0	111.1	F202 D203 A208 G209 C213 K307 L308	F202-V206 HydrophobicContact CD1-CG2 3.97Å; F202-V206 HydrophobicContact CE1-CG2 3.61Å; F202-V206 HydrophobicContact CZ-CG2 3.95Å; F202-V206 WeakPolarHBondContact O-CG2 3.35Å; F202-V206 PolarHBondContact O-N 2.69Å; D203-V206 PolarHBondContact O-N 2.94Å; D203-V206 VanDerWaalsContact O-N 3.14Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 3.01Å; V206-G209 PolarHBondContact O-N 3.13Å; V206-C213 HydrophobicContact CG2-CB 3.89Å; V206-C213 PolarHBondContact N-SG 3.01Å; V206-K307 HydrophobicContact CG1-CB 4.39Å; V206-K307 HydrophobicContact CG1-CD 3.82Å; V206-K307 HydrophobicContact CG1-CG 4.39Å; V206-K307 PolarHBondContact O-NZ 3.05Å; V206-L308 HydrophobicContact CG2-CD1 4.39Å
207	S	97.1	Very high	96.3	Very high	73 Å²	73	53.8 Å²	53.8	51%	0.51	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-40	177.5	-64.4	0	0	0	0	111.9	D203 G209	D203-S207 WeakPolarHBondContact O-CB 3.21Å; D203-S207 PolarHBondContact O-N 2.92Å; D203-S207 PolarHBondContact O-OG 3.16Å; S207-G209 PolarHBondContact O-N 2.99Å
208	A	97	Very high	96.8	Very high	69 Å²	69	50.8 Å²	50.8	57%	0.57	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.8	-179.9	0	0	0	0	0	115.1	K200 E204 C205 V206	K200-A208 VanDerWaalsContact NZ-CB 3.27Å; E204-A208 VanDerWaalsContact O-CB 3.23Å; E204-A208 WeakPolarHBondContact O-CB 3.13Å; E204-A208 PolarHBondContact O-N 3.1Å; E204-A208 VanDerWaalsContact O-N 3.16Å; C205-A208 CarbonylContact O-C 3.6Å; C205-A208 PolarHBondContact O-N 3.43Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 3.01Å
209	G	96.6	Very high	97.1	Very high	65 Å²	65	48.9 Å²	48.9	67%	0.67	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	37.8	-178.7	0	0	0	0	0	114.1	C205 V206 S207	C205-G209 PolarHBondContact O-N 3.45Å; C205-G209 VanDerWaalsContact O-N 3.08Å; V206-G209 PolarHBondContact O-N 3.13Å; S207-G209 PolarHBondContact O-N 2.99Å
210	G	97.3	Very high	97.5	Very high	18 Å²	18	41.9 Å²	41.9	19%	0.186	26%	0.256	C	S	.	.			trans	-69.6	147.4	-178.8	0	0	0	0	0	113.8	C205 D212 C213 A214	C205-G210 PolarHBondContact O-N 3.39Å; G210-D212 PolarHBondContact O-N 3.41Å; G210-C213 PolarHBondContact O-N 3.17Å; G210-C213 PolarHBondContact O-SG 3.34Å; G210-A214 PolarHBondContact O-N 3.29Å; G210-A214 VanDerWaalsContact O-N 3.16Å
211	S	96.8	Very high	97.6	Very high	86 Å²	86	38.6 Å²	38.6	60%	0.601	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.1	-174.6	56.2	0	0	0	0	115.3	C213 K217	S211-C213 VanDerWaalsContact C-N 3.29Å; S211-K217 WeakPolarHBondContact O-CE 3.32Å; S211-K217 WeakPolarHBondContact O-CG 3.39Å
212	D	96.1	Very high	97.7	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.134	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.9	179.1	-73.8	-26.7	0	0	0	112.8	Y178 R182 K195 G210	Y178-D212 HydrophobicContact CD2-CB 3.96Å; Y178-D212 HydrophobicContact CE2-CB 3.99Å; R182-D212 IonicContact CZ-OD2 3.61Å; R182-D212 IonicContact NH1-OD2 3.61Å; R182-D212 IonicContact NH2-OD2 2.67Å; R182-D212 PolarHBondContact NH2-OD2 3.41Å; R182-D212 VanDerWaalsContact NH2-OD2 3.09Å; K195-D212 WeakPolarHBondContact CE-OD2 3.14Å; K195-D212 IonicContact NZ-OD2 2.67Å; G210-D212 PolarHBondContact O-N 3.41Å
213	C	97.1	Very high	97.8	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.02	24%	0.237	C	C	.	.	S	Bend	trans	-124.3	10.2	-178.7	58.3	0	0	0	0	112.4	Y178 F202 C205 V206 G210 S211	Y178-C213 HydrophobicContact CD2-CB 4.47Å; Y178-C213 HydrophobicContact CE2-CB 4.49Å; F202-C213 HydrophobicContact CD2-CB 4.11Å; F202-C213 HydrophobicContact CE2-CB 3.68Å; F202-C213 HydrophobicContact CZ-CB 4.18Å; C205-C213 VanDerWaalsContact CA-SG 3.57Å; C205-C213 HydrophobicContact CB-CB 3.88Å; C205-C213 WeakPolarHBondContact CB-SG 3.31Å; C205-C213 PolarHBondContact O-SG 2.67Å; C205-C213 WeakPolarHBondContact SG-CB 3.33Å; C205-C213 CovalentContact SG-SG 2.04Å; C205-C213 PolarHBondContact SG-SG 3.29Å; V206-C213 HydrophobicContact CG2-CB 3.89Å; V206-C213 PolarHBondContact N-SG 3.01Å; G210-C213 PolarHBondContact O-N 3.17Å; G210-C213 PolarHBondContact O-SG 3.34Å; S211-C213 VanDerWaalsContact C-N 3.29Å
214	A	97.9	Very high	97.8	Very high	20 Å²	20	37 Å²	37	17%	0.165	23%	0.231	C	C	.	.	S	Bend	trans	-66.5	149.8	178.8	0	0	0	0	0	110.8	G210 E216 K217	G210-A214 PolarHBondContact O-N 3.29Å; G210-A214 VanDerWaalsContact O-N 3.16Å; A214-E216 WeakPolarHBondContact CB-OE2 3.46Å; A214-E216 PolarHBondContact O-N 3.19Å; A214-E216 VanDerWaalsContact O-N 3.1Å; A214-K217 VanDerWaalsContact O-CB 3.31Å; A214-K217 WeakPolarHBondContact O-CB 3.27Å; A214-K217 PolarHBondContact O-N 3Å
215	P	97.8	Very high	97.9	Very high	37 Å²	37	32.3 Å²	32.3	24%	0.24	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-56.3	-29.8	-175.8	-26.1	35	0	0	0	114.4	K217 L218 L308 S311 I313	P215-K217 PolarHBondContact O-N 2.91Å; P215-K217 VanDerWaalsContact O-N 3.13Å; P215-L218 VanDerWaalsContact O-CB 3.26Å; P215-L218 WeakPolarHBondContact O-CB 3.34Å; P215-L218 WeakPolarHBondContact O-CG 3.38Å; P215-L218 PolarHBondContact O-N 3.09Å; P215-L308 HydrophobicContact CG-CD2 4.28Å; P215-S311 VanDerWaalsContact CB-OG 3.28Å; P215-S311 WeakPolarHBondContact CB-OG 3.5Å; P215-I313 WeakPolarHBondContact O-CG2 3.4Å
216	E	97.8	Very high	97.9	Very high	104 Å²	104	32.1 Å²	32.1	49%	0.486	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-63	-19	176.9	-53.7	75.3	-162.6	0	0	112.4	A214 L218 W219 V235	A214-E216 WeakPolarHBondContact CB-OE2 3.46Å; A214-E216 PolarHBondContact O-N 3.19Å; A214-E216 VanDerWaalsContact O-N 3.1Å; E216-L218 VanDerWaalsContact C-N 3.28Å; E216-W219 PolarHBondContact O-N 3.18Å; E216-V235 HydrophobicContact CB-CG1 4.12Å; E216-V235 HydrophobicContact CG-CG1 4.17Å
217	K	98.1	Very high	97.9	Very high	108 Å²	108	31.7 Å²	31.7	47%	0.47	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-78.2	-11	174.7	-58	-55	-178.6	-164.1	0	113.8	R173 L174 S211 A214 P215	R173-K217 PolarHBondContact NH2-O 2.9Å; R173-K217 VanDerWaalsContact NH2-O 3.12Å; L174-K217 HydrophobicContact CD1-CB 3.67Å; L174-K217 HydrophobicContact CD2-CB 4.18Å; S211-K217 WeakPolarHBondContact O-CE 3.32Å; S211-K217 WeakPolarHBondContact O-CG 3.39Å; A214-K217 VanDerWaalsContact O-CB 3.31Å; A214-K217 WeakPolarHBondContact O-CB 3.27Å; A214-K217 PolarHBondContact O-N 3Å; P215-K217 PolarHBondContact O-N 2.91Å; P215-K217 VanDerWaalsContact O-N 3.13Å
218	L	98.4	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-38.5	170.1	-64.6	167.4	0	0	0	110.4	P170 I171 R173 L174 P215 E216 L220 I313 W314 E317	P170-L218 HydrophobicContact CB-CD2 4.11Å; P170-L218 WeakPolarHBondContact O-CD2 3.25Å; I171-L218 HydrophobicContact CG1-CD2 4.24Å; R173-L218 PolarHBondContact NH2-O 3.01Å; R173-L218 VanDerWaalsContact NH2-O 3.14Å; L174-L218 HydrophobicContact CB-CD2 3.96Å; L174-L218 HydrophobicContact CD2-CD2 3.61Å; L174-L218 HydrophobicContact CD2-CG 3.96Å; L174-L218 HydrophobicContact CG-CD2 4.43Å; P215-L218 VanDerWaalsContact O-CB 3.26Å; P215-L218 WeakPolarHBondContact O-CB 3.34Å; P215-L218 WeakPolarHBondContact O-CG 3.38Å; P215-L218 PolarHBondContact O-N 3.09Å; E216-L218 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.48Å; L218-I313 HydrophobicContact CB-CG2 4.27Å; L218-W314 HydrophobicContact CD1-CB 3.63Å; L218-W314 HydrophobicContact CD1-CG 4.29Å; L218-E317 HydrophobicContact CB-CG 4.46Å
219	W	98.6	Very high	98	Very high	17 Å²	17	30 Å²	30	6%	0.064	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	94.5	-179.3	-162.6	-101.6	0	0	0	111.9	E216 I222 P223 C232 V235 S237 A240 I313 M316 E317	E216-W219 PolarHBondContact O-N 3.18Å; W219-I222 HydrophobicContact CE3-CD1 3.97Å; W219-I222 HydrophobicContact CH2-CB 4.23Å; W219-I222 HydrophobicContact CH2-CD1 3.78Å; W219-I222 HydrophobicContact CH2-CG2 3.7Å; W219-I222 HydrophobicContact CZ2-CB 4.3Å; W219-I222 HydrophobicContact CZ2-CG2 3.69Å; W219-I222 HydrophobicContact CZ3-CB 4.39Å; W219-I222 HydrophobicContact CZ3-CD1 3.39Å; W219-I222 HydrophobicContact CZ3-CG1 4.49Å; W219-I222 HydrophobicContact CZ3-CG2 4.33Å; W219-P223 HydrophobicContact CG-CG 4.2Å; W219-P223 VanDerWaalsContact NE1-CG 3.3Å; W219-C232 PolarHBondContact NE1-O 2.83Å; W219-V235 HydrophobicContact CB-CG1 4.06Å; W219-V235 HydrophobicContact CB-CG2 4.45Å; W219-V235 HydrophobicContact CG-CB 4.38Å; W219-V235 HydrophobicContact CG-CG1 4.14Å; W219-V235 HydrophobicContact CG-CG2 4.25Å; W219-S237 WeakPolarHBondContact CH2-O 3.31Å; W219-A240 HydrophobicContact CH2-CB 4.28Å; W219-A240 HydrophobicContact CZ2-CB 3.79Å; W219-I313 HydrophobicContact CB-CG2 3.89Å; W219-I313 HydrophobicContact CE3-CG2 4Å; W219-M316 HydrophobicContact CH2-SD 4.36Å; W219-M316 HydrophobicContact CZ3-CB 3.92Å; W219-M316 HydrophobicContact CZ3-SD 3.98Å; W219-E317 WeakPolarHBondContact CA-OE1 3.47Å; W219-E317 HydrophobicContact CE3-CG 4.27Å
220	L	98.6	Very high	98.1	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.188	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.5	-45.7	-178.7	-173.7	68.7	0	0	0	112.2	V85 P86 R173 L218 P223 F224 E317	V85-L220 HydrophobicContact CG1-CD2 4.39Å; P86-L220 HydrophobicContact CG-CD2 4.34Å; R173-L220 VanDerWaalsContact CZ-CD2 3.42Å; L218-L220 PolarHBondContact O-N 3.48Å; L220-P223 WeakPolarHBondContact O-CD 3.37Å; L220-F224 HydrophobicContact CD1-CD2 4.04Å; L220-F224 HydrophobicContact CD1-CE2 3.72Å; L220-F224 HydrophobicContact CG-CD2 4.23Å; L220-F224 HydrophobicContact CG-CE2 4.22Å; L220-F224 VanDerWaalsContact O-CD2 3.24Å; L220-F224 WeakPolarHBondContact O-CD2 3.44Å; L220-F224 PolarHBondContact O-N 3.3Å; L220-E317 PolarHBondContact N-OE1 2.7Å
221	Q	98.8	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.4	-42.2	-175	-49.6	-172.5	113.6	0	0	109.3	V85 R168 F224 F225 E317 F320	V85-Q221 HydrophobicContact CG1-CG 4.13Å; R168-Q221 PolarHBondContact O-NE2 3.14Å; R168-Q221 PolarHBondContact O-OE1 3.2Å; Q221-F224 WeakPolarHBondContact O-CB 3.26Å; Q221-F224 PolarHBondContact O-N 3.3Å; Q221-F224 VanDerWaalsContact O-N 3.08Å; Q221-F225 WeakPolarHBondContact O-CD2 3.37Å; Q221-F225 PolarHBondContact O-N 3.38Å; Q221-E317 VanDerWaalsContact CB-OE2 3.31Å; Q221-E317 WeakPolarHBondContact CB-OE2 3.35Å; Q221-E317 PolarHBondContact N-OE1 2.87Å; Q221-E317 PolarHBondContact NE2-OE2 3.49Å; Q221-F320 HydrophobicContact CB-CD1 4.24Å; Q221-F320 HydrophobicContact CB-CE1 4.22Å
222	I	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.3	-55.1	174.8	-69.5	167.3	0	0	0	111.5	W219 F224 F225 C226 A240 L241 A244 M316 E317 F320	W219-I222 HydrophobicContact CE3-CD1 3.97Å; W219-I222 HydrophobicContact CH2-CB 4.23Å; W219-I222 HydrophobicContact CH2-CD1 3.78Å; W219-I222 HydrophobicContact CH2-CG2 3.7Å; W219-I222 HydrophobicContact CZ2-CB 4.3Å; W219-I222 HydrophobicContact CZ2-CG2 3.69Å; W219-I222 HydrophobicContact CZ3-CB 4.39Å; W219-I222 HydrophobicContact CZ3-CD1 3.39Å; W219-I222 HydrophobicContact CZ3-CG1 4.49Å; W219-I222 HydrophobicContact CZ3-CG2 4.33Å; I222-F224 VanDerWaalsContact C-N 3.25Å; I222-F224 PolarHBondContact O-N 3.36Å; I222-F225 PolarHBondContact O-N 3.33Å; I222-F225 VanDerWaalsContact O-N 3.11Å; I222-C226 VanDerWaalsContact O-CB 3.25Å; I222-C226 WeakPolarHBondContact O-CB 3.33Å; I222-C226 PolarHBondContact O-N 3.12Å; I222-A240 HydrophobicContact CG2-CB 4.06Å; I222-L241 HydrophobicContact CD1-CB 4.38Å; I222-L241 HydrophobicContact CD1-CD1 3.87Å; I222-L241 HydrophobicContact CG1-CD1 4.26Å; I222-A244 HydrophobicContact CB-CB 4.49Å; I222-A244 HydrophobicContact CG2-CB 4Å; I222-M316 HydrophobicContact CD1-CB 4.09Å; I222-E317 HydrophobicContact CD1-CG 4.02Å; I222-E317 HydrophobicContact CG1-CG 4.5Å; I222-E317 PolarHBondContact N-OE1 3.43Å; I222-E317 VanDerWaalsContact N-OE1 3.08Å; I222-F320 HydrophobicContact CD1-CB 4.16Å; I222-F320 HydrophobicContact CG1-CB 3.74Å; I222-F320 HydrophobicContact CG1-CD1 4.1Å; I222-F320 HydrophobicContact CG1-CG 3.86Å
223	P	98.8	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.5	-33.4	175.6	-24.6	26.3	0	0	0	115.2	S148 W219 L220 F225 G227 C232 W233	S148-P223 PolarHBondContact OG-O 3.41Å; W219-P223 HydrophobicContact CG-CG 4.2Å; W219-P223 VanDerWaalsContact NE1-CG 3.3Å; L220-P223 WeakPolarHBondContact O-CD 3.37Å; P223-F225 VanDerWaalsContact C-N 3.28Å; P223-F225 PolarHBondContact O-N 3.21Å; P223-G227 PolarHBondContact O-N 2.87Å; P223-C232 WeakPolarHBondContact CG-O 3.42Å; P223-W233 HydrophobicContact CB-CD2 4.05Å; P223-W233 HydrophobicContact CB-CE3 3.84Å; P223-W233 HydrophobicContact CB-CH2 3.67Å; P223-W233 HydrophobicContact CB-CZ2 3.94Å; P223-W233 HydrophobicContact CB-CZ3 3.64Å; P223-W233 HydrophobicContact CG-CE3 4.29Å; P223-W233 HydrophobicContact CG-CZ3 4.25Å
224	F	98.8	Very high	98.3	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.022	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-30.8	179.3	-99.3	-110.6	0	0	0	112.4	N83 V85 P118 H146 S148 F149 L220 Q221 I222	N83-F224 PolarHBondContact ND2-O 3.07Å; V85-F224 HydrophobicContact CG2-CB 4.07Å; V85-F224 HydrophobicContact CG2-CD1 3.86Å; V85-F224 HydrophobicContact CG2-CG 4.06Å; P118-F224 HydrophobicContact CB-CE2 3.87Å; P118-F224 HydrophobicContact CB-CZ 3.94Å; P118-F224 HydrophobicContact CG-CE2 4.41Å; H146-F224 HydrophobicContact CB-CZ 4.48Å; S148-F224 CarbonylContact C-O 3.58Å; F149-F224 WeakPolarHBondContact CB-O 3.38Å; F149-F224 PolarHBondContact N-O 2.94Å; L220-F224 HydrophobicContact CD1-CD2 4.04Å; L220-F224 HydrophobicContact CD1-CE2 3.72Å; L220-F224 HydrophobicContact CG-CD2 4.23Å; L220-F224 HydrophobicContact CG-CE2 4.22Å; L220-F224 VanDerWaalsContact O-CD2 3.24Å; L220-F224 WeakPolarHBondContact O-CD2 3.44Å; L220-F224 PolarHBondContact O-N 3.3Å; Q221-F224 WeakPolarHBondContact O-CB 3.26Å; Q221-F224 PolarHBondContact O-N 3.3Å; Q221-F224 VanDerWaalsContact O-N 3.08Å; I222-F224 VanDerWaalsContact C-N 3.25Å; I222-F224 PolarHBondContact O-N 3.36Å
225	F	98.9	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-94.7	-34.9	175.9	-76.7	-97.4	0	0	0	113	F149 N165 I167 Q221 I222 P223 G227 A244 N247 L248 Y252 V255 F320	F149-F225 WeakPolarHBondContact CB-O 3.22Å; N165-F225 HydrophobicContact CB-CE1 4.12Å; N165-F225 HydrophobicContact CB-CE2 4.41Å; N165-F225 HydrophobicContact CB-CZ 3.57Å; I167-F225 HydrophobicContact CG2-CE2 3.43Å; I167-F225 VanDerWaalsContact CG2-CE2 3.43Å; I167-F225 HydrophobicContact CG2-CZ 3.76Å; Q221-F225 WeakPolarHBondContact O-CD2 3.37Å; Q221-F225 PolarHBondContact O-N 3.38Å; I222-F225 PolarHBondContact O-N 3.33Å; I222-F225 VanDerWaalsContact O-N 3.11Å; P223-F225 VanDerWaalsContact C-N 3.28Å; P223-F225 PolarHBondContact O-N 3.21Å; F225-G227 VanDerWaalsContact C-N 3.33Å; F225-G227 PolarHBondContact O-N 3.48Å; F225-A244 HydrophobicContact CB-CB 3.9Å; F225-N247 WeakPolarHBondContact O-CB 3.39Å; F225-N247 PolarHBondContact O-ND2 2.88Å; F225-L248 HydrophobicContact CD1-CB 4.21Å; F225-L248 HydrophobicContact CD1-CD1 4.41Å; F225-L248 HydrophobicContact CE1-CD1 4.16Å; F225-L248 HydrophobicContact CE1-CG 4.42Å; F225-Y252 AromaticContact CD1-CD2 3.81Å; F225-Y252 HydrophobicContact CD1-CD2 3.81Å; F225-Y252 HydrophobicContact CD1-CE1 4.17Å; F225-Y252 AromaticContact CD1-CE2 3.38Å; F225-Y252 HydrophobicContact CD1-CE2 3.38Å; F225-Y252 HydrophobicContact CD1-CG 4.37Å; F225-Y252 AromaticContact CD1-CZ 3.59Å; F225-Y252 AromaticContact CE1-CD1 3.86Å; F225-Y252 HydrophobicContact CE1-CD1 3.86Å; F225-Y252 AromaticContact CE1-CD2 3.92Å; F225-Y252 HydrophobicContact CE1-CD2 3.92Å; F225-Y252 AromaticContact CE1-CE1 3.69Å; F225-Y252 HydrophobicContact CE1-CE1 3.69Å; F225-Y252 AromaticContact CE1-CE2 3.72Å; F225-Y252 HydrophobicContact CE1-CE2 3.72Å; F225-Y252 AromaticContact CE1-CG 4Å; F225-Y252 HydrophobicContact CE1-CG 4Å; F225-Y252 AromaticContact CE1-CZ 3.61Å; F225-Y252 HydrophobicContact CG-CE2 4.37Å; F225-Y252 HydrophobicContact CZ-CE1 4.41Å; F225-V255 HydrophobicContact CE1-CG1 4.18Å; F225-V255 HydrophobicContact CE1-CG2 3.66Å; F225-V255 HydrophobicContact CZ-CG1 3.79Å; F225-V255 HydrophobicContact CZ-CG2 4.08Å; F225-F320 HydrophobicContact CB-CE2 4.38Å; F225-F320 HydrophobicContact CB-CZ 3.78Å; F225-F320 HydrophobicContact CD1-CZ 4.01Å; F225-F320 AromaticContact CD2-CE1 3.67Å; F225-F320 HydrophobicContact CD2-CE1 3.67Å; F225-F320 AromaticContact CD2-CZ 3.53Å; F225-F320 HydrophobicContact CD2-CZ 3.53Å; F225-F320 HydrophobicContact CE1-CZ 4.47Å; F225-F320 AromaticContact CE2-CE1 4Å; F225-F320 HydrophobicContact CE2-CE1 4Å; F225-F320 HydrophobicContact CE2-CZ 4.03Å; F225-F320 HydrophobicContact CG-CE1 4.13Å; F225-F320 HydrophobicContact CG-CE2 4.45Å; F225-F320 AromaticContact CG-CZ 3.49Å; F225-F320 HydrophobicContact CG-CZ 3.49Å; F225-F320 VanDerWaalsContact CG-CZ 3.49Å; F225-F320 HydrophobicContact CZ-CZ 4.43Å
226	C	98.9	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-41	175.8	179.6	0	0	0	0	111.3	I222 C232 A244 N247	I222-C226 VanDerWaalsContact O-CB 3.25Å; I222-C226 WeakPolarHBondContact O-CB 3.33Å; I222-C226 PolarHBondContact O-N 3.12Å; C226-C232 HydrophobicContact CB-CB 3.61Å; C226-C232 WeakPolarHBondContact CB-SG 3.33Å; C226-C232 PolarHBondContact O-SG 3.46Å; C226-C232 VanDerWaalsContact O-SG 3.4Å; C226-C232 WeakPolarHBondContact SG-CA 3.43Å; C226-C232 WeakPolarHBondContact SG-CB 3.44Å; C226-C232 CovalentContact SG-SG 2.03Å; C226-C232 PolarHBondContact SG-SG 2.97Å; C226-A244 HydrophobicContact CB-CB 4.18Å; C226-N247 PolarHBondContact O-ND2 3.49Å
227	G	98.4	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.			trans	105.3	-142.3	167.6	0	0	0	0	0	115.4	F149 P223 F225 Y229 W233	F149-G227 WeakPolarHBondContact O-CA 3.22Å; P223-G227 PolarHBondContact O-N 2.87Å; F225-G227 VanDerWaalsContact C-N 3.33Å; F225-G227 PolarHBondContact O-N 3.48Å; G227-Y229 PolarHBondContact O-N 3.27Å; G227-W233 PolarHBondContact O-NE1 3.27Å
228	H	98.4	Very high	98.5	Very high	32 Å²	32	33.3 Å²	33.3	15%	0.148	18%	0.176	C	C	.	.	S	Bend	trans	-93.9	20.6	-170.6	-69.5	75.2	0	0	0	114.1	M120 Q125 S148 F149	M120-H228 PolarHBondContact N-CD2 2.86Å; M120-H228 VanDerWaalsContact N-CD2 3.34Å; M120-H228 PolarHBondContact N-NE2 3.08Å; M120-H228 VanDerWaalsContact N-NE2 3.11Å; Q125-H228 PolarHBondContact NE2-CD2 2.82Å; S148-H228 PolarHBondContact O-CE1 3.04Å; S148-H228 VanDerWaalsContact O-CE1 3.23Å; F149-H228 PolarHBondContact O-ND1 2.92Å
229	Y	97.1	Very high	98.5	Very high	74 Å²	74	38.7 Å²	38.7	29%	0.29	20%	0.196	S	C	.	.			trans	-88.6	147.5	177.6	-56.8	-79.6	0	0	0	111.2	K154 G227 E231 C232 W239	K154-Y229 PolarHBondContact NZ-OH 2.8Å; G227-Y229 PolarHBondContact O-N 3.27Å; Y229-E231 VanDerWaalsContact C-N 3.27Å; Y229-E231 PolarHBondContact O-N 2.99Å; Y229-C232 VanDerWaalsContact O-CB 3.28Å; Y229-C232 WeakPolarHBondContact O-CB 3.43Å; Y229-C232 PolarHBondContact O-N 3.26Å; Y229-C232 VanDerWaalsContact O-N 3.16Å; Y229-W239 HydrophobicContact CD2-CH2 4.18Å; Y229-W239 HydrophobicContact CG-CH2 4.06Å
230	S	97.8	Very high	98.5	Very high	100 Å²	100	37.9 Å²	37.9	70%	0.699	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-55.9	-44.6	180	54	0	0	0	0	112	C232 W233	S230-C232 PolarHBondContact O-N 3.01Å; S230-W233 PolarHBondContact O-N 3.17Å; S230-W233 VanDerWaalsContact O-N 3.08Å
231	E	98.1	Very high	98.5	Very high	67 Å²	67	36.2 Å²	36.2	31%	0.313	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-65.3	-25.1	-176.6	-166.7	60.6	-148.1	0	0	112.7	Y229 W233 N234 S237 W239	Y229-E231 VanDerWaalsContact C-N 3.27Å; Y229-E231 PolarHBondContact O-N 2.99Å; E231-W233 PolarHBondContact O-N 3.43Å; E231-N234 PolarHBondContact O-N 2.92Å; E231-N234 PolarHBondContact OE2-ND2 3.05Å; E231-S237 WeakPolarHBondContact CG-OG 3.42Å; E231-S237 VanDerWaalsContact OE1-CB 3.26Å; E231-S237 WeakPolarHBondContact OE1-CB 3.18Å; E231-S237 PolarHBondContact OE1-OG 3.32Å; E231-W239 HydrophobicContact CB-CD2 4.21Å; E231-W239 HydrophobicContact CB-CE3 3.44Å; E231-W239 VanDerWaalsContact CB-CE3 3.44Å; E231-W239 HydrophobicContact CB-CZ3 3.64Å; E231-W239 HydrophobicContact CG-CB 4Å; E231-W239 HydrophobicContact CG-CD2 3.82Å; E231-W239 HydrophobicContact CG-CE3 3.34Å; E231-W239 HydrophobicContact CG-CG 4.12Å; E231-W239 HydrophobicContact CG-CZ3 4.1Å
232	C	98.6	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.1	-29.4	174	-60.4	0	0	0	0	113.1	W219 P223 C226 Y229 S230	W219-C232 PolarHBondContact NE1-O 2.83Å; P223-C232 WeakPolarHBondContact CG-O 3.42Å; C226-C232 HydrophobicContact CB-CB 3.61Å; C226-C232 WeakPolarHBondContact CB-SG 3.33Å; C226-C232 PolarHBondContact O-SG 3.46Å; C226-C232 VanDerWaalsContact O-SG 3.4Å; C226-C232 WeakPolarHBondContact SG-CA 3.43Å; C226-C232 WeakPolarHBondContact SG-CB 3.44Å; C226-C232 CovalentContact SG-SG 2.03Å; C226-C232 PolarHBondContact SG-SG 2.97Å; Y229-C232 VanDerWaalsContact O-CB 3.28Å; Y229-C232 WeakPolarHBondContact O-CB 3.43Å; Y229-C232 PolarHBondContact O-N 3.26Å; Y229-C232 VanDerWaalsContact O-N 3.16Å; S230-C232 PolarHBondContact O-N 3.01Å
233	W	98.1	Very high	98.5	Very high	82 Å²	82	42.8 Å²	42.8	31%	0.311	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-100.9	2	-175.5	-59.7	92.7	0	0	0	112.8	P118 V119 S148 P223 G227 S230 E231 V235	P118-W233 HydrophobicContact CB-CH2 3.82Å; P118-W233 HydrophobicContact CB-CZ2 4.2Å; P118-W233 HydrophobicContact CG-CH2 3.18Å; P118-W233 HydrophobicContact CG-CZ2 3.8Å; P118-W233 HydrophobicContact CG-CZ3 3.9Å; V119-W233 HydrophobicContact CG2-CD2 4.16Å; V119-W233 HydrophobicContact CG2-CH2 4.26Å; V119-W233 HydrophobicContact CG2-CZ2 3.3Å; V119-W233 VanDerWaalsContact CG2-NE1 3.32Å; S148-W233 WeakPolarHBondContact OG-CZ2 3.42Å; P223-W233 HydrophobicContact CB-CD2 4.05Å; P223-W233 HydrophobicContact CB-CE3 3.84Å; P223-W233 HydrophobicContact CB-CH2 3.67Å; P223-W233 HydrophobicContact CB-CZ2 3.94Å; P223-W233 HydrophobicContact CB-CZ3 3.64Å; P223-W233 HydrophobicContact CG-CE3 4.29Å; P223-W233 HydrophobicContact CG-CZ3 4.25Å; G227-W233 PolarHBondContact O-NE1 3.27Å; S230-W233 PolarHBondContact O-N 3.17Å; S230-W233 VanDerWaalsContact O-N 3.08Å; E231-W233 PolarHBondContact O-N 3.43Å; W233-V235 PolarHBondContact O-N 3.45Å
234	N	98.4	Very high	98.5	Very high	81 Å²	81	42.8 Å²	42.8	43%	0.433	22%	0.215	S	C	.	.	S	Bend	trans	-78.1	105.8	166.3	-70.2	-17.3	0	0	0	108.3	E231 G236 S237	E231-N234 PolarHBondContact O-N 2.92Å; E231-N234 PolarHBondContact OE2-ND2 3.05Å; N234-G236 PolarHBondContact O-N 3.3Å; N234-S237 VanDerWaalsContact O-CB 3.29Å; N234-S237 WeakPolarHBondContact O-CB 3.5Å; N234-S237 PolarHBondContact O-N 3.41Å; N234-S237 VanDerWaalsContact O-N 3.08Å
235	V	98.4	Very high	98.5	Very high	74 Å²	74	43.9 Å²	43.9	45%	0.448	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	123	-175.2	176.7	0	0	0	0	110.1	E216 W219 W233 I313	E216-V235 HydrophobicContact CB-CG1 4.12Å; E216-V235 HydrophobicContact CG-CG1 4.17Å; W219-V235 HydrophobicContact CB-CG1 4.06Å; W219-V235 HydrophobicContact CB-CG2 4.45Å; W219-V235 HydrophobicContact CG-CB 4.38Å; W219-V235 HydrophobicContact CG-CG1 4.14Å; W219-V235 HydrophobicContact CG-CG2 4.25Å; W233-V235 PolarHBondContact O-N 3.45Å; V235-I313 HydrophobicContact CG1-CD1 3.61Å; V235-I313 HydrophobicContact CG1-CG1 4.05Å; V235-I313 HydrophobicContact CG1-CG2 4.33Å
236	G	98.1	Very high	98.5	Very high	23 Å²	23	50.1 Å²	50.1	24%	0.237	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	18.2	-179.5	0	0	0	0	0	114.7	N234 Q238 M316	N234-G236 PolarHBondContact O-N 3.3Å; G236-Q238 PolarHBondContact O-N 2.9Å; G236-M316 WeakPolarHBondContact O-CE 3.23Å
237	S	98.7	Very high	98.5	Very high	12 Å²	12	50.4 Å²	50.4	8%	0.084	25%	0.246	C	C	.	.			trans	-71.5	123.4	174.3	178.2	0	0	0	0	111.4	W219 E231 N234 W239 A240 L241	W219-S237 WeakPolarHBondContact CH2-O 3.31Å; E231-S237 WeakPolarHBondContact CG-OG 3.42Å; E231-S237 VanDerWaalsContact OE1-CB 3.26Å; E231-S237 WeakPolarHBondContact OE1-CB 3.18Å; E231-S237 PolarHBondContact OE1-OG 3.32Å; N234-S237 VanDerWaalsContact O-CB 3.29Å; N234-S237 WeakPolarHBondContact O-CB 3.5Å; N234-S237 PolarHBondContact O-N 3.41Å; N234-S237 VanDerWaalsContact O-N 3.08Å; S237-W239 VanDerWaalsContact C-N 3.31Å; S237-W239 PolarHBondContact O-N 3.32Å; S237-W239 PolarHBondContact OG-N 2.94Å; S237-A240 PolarHBondContact O-N 2.89Å; S237-A240 PolarHBondContact OG-N 3.21Å; S237-L241 PolarHBondContact O-N 3.14Å
238	Q	98.7	Very high	98.5	Very high	97 Å²	97	50.7 Å²	50.7	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-38.9	172.8	-172.2	66.1	37	0	0	111.4	G236 A240 L241 E242 M316	G236-Q238 PolarHBondContact O-N 2.9Å; Q238-A240 VanDerWaalsContact C-N 3.26Å; Q238-A240 PolarHBondContact O-N 2.96Å; Q238-L241 WeakPolarHBondContact O-CB 3.39Å; Q238-L241 PolarHBondContact O-N 3.06Å; Q238-E242 PolarHBondContact NE2-OE1 3.14Å; Q238-E242 PolarHBondContact O-N 2.74Å; Q238-M316 HydrophobicContact CB-CE 4.11Å
239	W	98.8	Very high	98.5	Very high	113 Å²	113	52.7 Å²	52.7	43%	0.428	26%	0.261	S	S	.	.	H	α-helix	trans	-59.6	-40.6	177.7	179.1	91.7	0	0	0	111.3	Y229 E231 S237 L241 E242 Q243	Y229-W239 HydrophobicContact CD2-CH2 4.18Å; Y229-W239 HydrophobicContact CG-CH2 4.06Å; E231-W239 HydrophobicContact CB-CD2 4.21Å; E231-W239 HydrophobicContact CB-CE3 3.44Å; E231-W239 VanDerWaalsContact CB-CE3 3.44Å; E231-W239 HydrophobicContact CB-CZ3 3.64Å; E231-W239 HydrophobicContact CG-CB 4Å; E231-W239 HydrophobicContact CG-CD2 3.82Å; E231-W239 HydrophobicContact CG-CE3 3.34Å; E231-W239 HydrophobicContact CG-CG 4.12Å; E231-W239 HydrophobicContact CG-CZ3 4.1Å; S237-W239 VanDerWaalsContact C-N 3.31Å; S237-W239 PolarHBondContact O-N 3.32Å; S237-W239 PolarHBondContact OG-N 2.94Å; W239-L241 VanDerWaalsContact C-N 3.34Å; W239-L241 PolarHBondContact O-N 2.91Å; W239-E242 PolarHBondContact O-N 3.11Å; W239-Q243 HydrophobicContact CE3-CB 4.33Å; W239-Q243 HydrophobicContact CH2-CB 4.16Å; W239-Q243 HydrophobicContact CH2-CG 3.92Å; W239-Q243 HydrophobicContact CZ2-CB 4.34Å; W239-Q243 HydrophobicContact CZ2-CG 4.23Å; W239-Q243 HydrophobicContact CZ3-CB 4.15Å; W239-Q243 HydrophobicContact CZ3-CG 4.28Å; W239-Q243 WeakPolarHBondContact O-CB 3.27Å; W239-Q243 PolarHBondContact O-N 3.13Å
240	A	98.9	Very high	98.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-38.5	178.9	0	0	0	0	0	112.7	W219 I222 S237 Q238 A244	W219-A240 HydrophobicContact CH2-CB 4.28Å; W219-A240 HydrophobicContact CZ2-CB 3.79Å; I222-A240 HydrophobicContact CG2-CB 4.06Å; S237-A240 PolarHBondContact O-N 2.89Å; S237-A240 PolarHBondContact OG-N 3.21Å; Q238-A240 VanDerWaalsContact C-N 3.26Å; Q238-A240 PolarHBondContact O-N 2.96Å; A240-A244 VanDerWaalsContact O-CB 3.29Å; A240-A244 WeakPolarHBondContact O-CB 3.02Å; A240-A244 PolarHBondContact O-N 3.12Å
241	L	98.9	Very high	98.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-50.7	174.5	171.3	58.1	0	0	0	111.2	I222 S237 Q238 W239 Q243 A244 K245 M316 F320	I222-L241 HydrophobicContact CD1-CB 4.38Å; I222-L241 HydrophobicContact CD1-CD1 3.87Å; I222-L241 HydrophobicContact CG1-CD1 4.26Å; S237-L241 PolarHBondContact O-N 3.14Å; Q238-L241 WeakPolarHBondContact O-CB 3.39Å; Q238-L241 PolarHBondContact O-N 3.06Å; W239-L241 VanDerWaalsContact C-N 3.34Å; W239-L241 PolarHBondContact O-N 2.91Å; L241-Q243 VanDerWaalsContact C-N 3.34Å; L241-Q243 PolarHBondContact O-N 3.32Å; L241-A244 PolarHBondContact O-N 3.18Å; L241-K245 HydrophobicContact CD1-CD 4.39Å; L241-K245 HydrophobicContact CD1-CG 4.37Å; L241-K245 PolarHBondContact O-N 2.9Å; L241-M316 HydrophobicContact CD2-CB 4.06Å; L241-M316 HydrophobicContact CD2-CG 4.01Å; L241-F320 HydrophobicContact CD1-CB 3.73Å; L241-F320 HydrophobicContact CD1-CD2 4.48Å
242	E	98.9	Very high	98.7	Very high	93 Å²	93	47.8 Å²	47.8	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-42.5	178.6	-62.2	-48.5	134.9	0	0	111.7	Q238 W239 A244 K245 Y246	Q238-E242 PolarHBondContact NE2-OE1 3.14Å; Q238-E242 PolarHBondContact O-N 2.74Å; W239-E242 PolarHBondContact O-N 3.11Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 2.88Å; E242-K245 PolarHBondContact O-N 3.19Å; E242-Y246 WeakPolarHBondContact O-CB 3.44Å; E242-Y246 PolarHBondContact O-N 3.24Å
243	Q	98.9	Very high	98.6	Very high	44 Å²	44	52 Å²	52	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-37	177.2	-171.3	63.1	53.1	0	0	112.2	W239 L241 Y246 N247	W239-Q243 HydrophobicContact CE3-CB 4.33Å; W239-Q243 HydrophobicContact CH2-CB 4.16Å; W239-Q243 HydrophobicContact CH2-CG 3.92Å; W239-Q243 HydrophobicContact CZ2-CB 4.34Å; W239-Q243 HydrophobicContact CZ2-CG 4.23Å; W239-Q243 HydrophobicContact CZ3-CB 4.15Å; W239-Q243 HydrophobicContact CZ3-CG 4.28Å; W239-Q243 WeakPolarHBondContact O-CB 3.27Å; W239-Q243 PolarHBondContact O-N 3.13Å; L241-Q243 VanDerWaalsContact C-N 3.34Å; L241-Q243 PolarHBondContact O-N 3.32Å; Q243-Y246 PolarHBondContact O-N 3Å; Q243-N247 PolarHBondContact NE2-OD1 3.03Å; Q243-N247 WeakPolarHBondContact O-CB 3.42Å; Q243-N247 PolarHBondContact O-N 3.02Å; Q243-N247 PolarHBondContact O-ND2 3.46Å
244	A	98.9	Very high	98.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-44.9	175.3	0	0	0	0	0	111.6	I222 F225 C226 A240 L241 E242 N247 L248 F320	I222-A244 HydrophobicContact CB-CB 4.49Å; I222-A244 HydrophobicContact CG2-CB 4Å; F225-A244 HydrophobicContact CB-CB 3.9Å; C226-A244 HydrophobicContact CB-CB 4.18Å; A240-A244 VanDerWaalsContact O-CB 3.29Å; A240-A244 WeakPolarHBondContact O-CB 3.02Å; A240-A244 PolarHBondContact O-N 3.12Å; L241-A244 PolarHBondContact O-N 3.18Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 2.88Å; A244-N247 PolarHBondContact O-N 3.19Å; A244-L248 WeakPolarHBondContact O-CB 2.8Å; A244-L248 PolarHBondContact O-N 3.28Å; A244-F320 HydrophobicContact CB-CD2 4Å; A244-F320 HydrophobicContact CB-CE2 3.74Å; A244-F320 HydrophobicContact CB-CZ 4.32Å
245	K	98.9	Very high	98.7	Very high	28 Å²	28	45.4 Å²	45.4	12%	0.122	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-45.2	174.1	-70.4	-178.6	171.6	177.8	0	111.3	L241 E242 L248 V249 D319 F320 F323	L241-K245 HydrophobicContact CD1-CD 4.39Å; L241-K245 HydrophobicContact CD1-CG 4.37Å; L241-K245 PolarHBondContact O-N 2.9Å; E242-K245 PolarHBondContact O-N 3.19Å; K245-L248 PolarHBondContact O-N 2.98Å; K245-V249 PolarHBondContact O-N 3.22Å; K245-D319 IonicContact NZ-OD1 3.29Å; K245-D319 PolarHBondContact NZ-OD1 2.98Å; K245-D319 IonicContact NZ-OD2 3.89Å; K245-D319 PolarHBondContact NZ-OD2 3.35Å; K245-F320 HydrophobicContact CG-CD2 3.99Å; K245-F323 HydrophobicContact CB-CD1 4.08Å; K245-F323 HydrophobicContact CB-CE1 3.74Å; K245-F323 HydrophobicContact CB-CZ 4.09Å; K245-F323 HydrophobicContact CD-CD1 4.25Å; K245-F323 HydrophobicContact CD-CD2 4.26Å; K245-F323 HydrophobicContact CD-CG 4.08Å; K245-F323 HydrophobicContact CG-CD1 3.7Å; K245-F323 HydrophobicContact CG-CE1 3.91Å; K245-F323 HydrophobicContact CG-CG 4.04Å; K245-F323 HydrophobicContact CG-CZ 4.43Å
246	Y	98.9	Very high	98.7	Very high	131 Å²	131	41.9 Å²	41.9	51%	0.514	20%	0.203	S	C	.	.	H	α-helix	trans	-58.5	-50.4	176.2	-178.1	-86.7	0	0	0	111.7	E242 Q243 L248 V249 N250	E242-Y246 WeakPolarHBondContact O-CB 3.44Å; E242-Y246 PolarHBondContact O-N 3.24Å; Q243-Y246 PolarHBondContact O-N 3Å; Y246-L248 VanDerWaalsContact C-N 3.33Å; Y246-L248 PolarHBondContact O-N 3.21Å; Y246-V249 PolarHBondContact O-N 2.88Å; Y246-N250 HydrophobicContact CD1-CB 4.46Å; Y246-N250 VanDerWaalsContact CD2-ND2 3.32Å; Y246-N250 WeakPolarHBondContact CD2-ND2 3.42Å; Y246-N250 HydrophobicContact CE1-CB 4.09Å; Y246-N250 VanDerWaalsContact CE2-ND2 3.28Å; Y246-N250 WeakPolarHBondContact CE2-ND2 3.17Å; Y246-N250 WeakPolarHBondContact O-CB 3.15Å; Y246-N250 PolarHBondContact O-N 2.9Å; Y246-N250 PolarHBondContact O-ND2 2.84Å
247	N	98.9	Very high	98.7	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-39.3	-179.6	-69.7	-12.3	0	0	0	111.4	F149 F225 C226 Q243 A244 V249 N250 E251 Y252	F149-N247 HydrophobicContact CD1-CB 4.35Å; F149-N247 WeakPolarHBondContact CD1-ND2 3.31Å; F149-N247 HydrophobicContact CE1-CB 4.41Å; F225-N247 WeakPolarHBondContact O-CB 3.39Å; F225-N247 PolarHBondContact O-ND2 2.88Å; C226-N247 PolarHBondContact O-ND2 3.49Å; Q243-N247 PolarHBondContact NE2-OD1 3.03Å; Q243-N247 WeakPolarHBondContact O-CB 3.42Å; Q243-N247 PolarHBondContact O-N 3.02Å; Q243-N247 PolarHBondContact O-ND2 3.46Å; A244-N247 PolarHBondContact O-N 3.19Å; N247-V249 VanDerWaalsContact C-N 3.29Å; N247-V249 PolarHBondContact O-N 2.75Å; N247-N250 PolarHBondContact O-N 3.5Å; N247-E251 WeakPolarHBondContact O-CA 3.35Å; N247-E251 WeakPolarHBondContact O-CB 3.32Å; N247-E251 PolarHBondContact O-N 3.32Å; N247-Y252 WeakPolarHBondContact O-CD2 3.47Å; N247-Y252 PolarHBondContact O-N 3.49Å
248	L	98.8	Very high	98.6	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-55.4	-45.3	176.3	-176	148.8	0	0	0	111.6	F225 A244 K245 Y246 Y252 V255 F320 F323 A324 Q327	F225-L248 HydrophobicContact CD1-CB 4.21Å; F225-L248 HydrophobicContact CD1-CD1 4.41Å; F225-L248 HydrophobicContact CE1-CD1 4.16Å; F225-L248 HydrophobicContact CE1-CG 4.42Å; A244-L248 WeakPolarHBondContact O-CB 2.8Å; A244-L248 PolarHBondContact O-N 3.28Å; K245-L248 PolarHBondContact O-N 2.98Å; Y246-L248 VanDerWaalsContact C-N 3.33Å; Y246-L248 PolarHBondContact O-N 3.21Å; L248-Y252 WeakPolarHBondContact O-CB 3.41Å; L248-V255 HydrophobicContact CD1-CB 4.17Å; L248-V255 HydrophobicContact CD1-CG1 4.12Å; L248-V255 HydrophobicContact CD1-CG2 4.08Å; L248-V255 HydrophobicContact CG-CB 4.36Å; L248-V255 HydrophobicContact CG-CG2 3.89Å; L248-F320 HydrophobicContact CB-CE2 4.39Å; L248-F320 HydrophobicContact CD1-CE2 3.94Å; L248-F320 HydrophobicContact CD1-CZ 3.77Å; L248-F323 HydrophobicContact CD2-CD1 4.5Å; L248-F323 HydrophobicContact CD2-CE1 4.01Å; L248-A324 HydrophobicContact CD1-CB 3.53Å; L248-Q327 HydrophobicContact CD2-CB 4.44Å; L248-Q327 HydrophobicContact CD2-CG 4.12Å
249	V	98.5	Very high	98.5	Very high	73 Å²	73	41 Å²	41	44%	0.442	19%	0.192	S	C	.	.	H	α-helix	trans	-76.5	-39.5	-178.8	174.3	0	0	0	0	112.4	K245 Y246 N247 F323	K245-V249 PolarHBondContact O-N 3.22Å; Y246-V249 PolarHBondContact O-N 2.88Å; N247-V249 VanDerWaalsContact C-N 3.29Å; N247-V249 PolarHBondContact O-N 2.75Å; V249-F323 HydrophobicContact CG2-CE1 3.9Å; V249-F323 HydrophobicContact CG2-CZ 3.59Å
250	N	98.3	Very high	98.4	Very high	80 Å²	80	37.4 Å²	37.4	43%	0.428	18%	0.18	S	C	.	.	H	α-helix	trans	-93.6	-25	-168.4	-67.3	-74.8	0	0	0	114.1	Y246 N247	Y246-N250 HydrophobicContact CD1-CB 4.46Å; Y246-N250 VanDerWaalsContact CD2-ND2 3.32Å; Y246-N250 WeakPolarHBondContact CD2-ND2 3.42Å; Y246-N250 HydrophobicContact CE1-CB 4.09Å; Y246-N250 VanDerWaalsContact CE2-ND2 3.28Å; Y246-N250 WeakPolarHBondContact CE2-ND2 3.17Å; Y246-N250 WeakPolarHBondContact O-CB 3.15Å; Y246-N250 PolarHBondContact O-N 2.9Å; Y246-N250 PolarHBondContact O-ND2 2.84Å; N247-N250 PolarHBondContact O-N 3.5Å
251	E	98.4	Very high	98.2	Very high	44 Å²	44	37.6 Å²	37.6	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-119.8	-22	-170	-59	-61.9	156.5	0	0	113.5	F149 K160 N247	F149-E251 HydrophobicContact CE1-CG 4.36Å; F149-E251 HydrophobicContact CE2-CB 3.7Å; F149-E251 HydrophobicContact CE2-CG 4.23Å; F149-E251 HydrophobicContact CZ-CB 3.65Å; F149-E251 HydrophobicContact CZ-CG 3.63Å; K160-E251 IonicContact NZ-OE1 3.01Å; K160-E251 PolarHBondContact NZ-OE1 2.91Å; K160-E251 IonicContact NZ-OE2 2.77Å; K160-E251 PolarHBondContact NZ-OE2 3.25Å; N247-E251 WeakPolarHBondContact O-CA 3.35Å; N247-E251 WeakPolarHBondContact O-CB 3.32Å; N247-E251 PolarHBondContact O-N 3.32Å
252	Y	98.8	Very high	98	Very high	15 Å²	15	41.2 Å²	41.2	6%	0.059	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.3	175.3	-72.2	-102.9	0	0	0	111	N83 F149 Y163 N165 F225 N247 L248 V255	N83-Y252 VanDerWaalsContact CG-OH 3.28Å; N83-Y252 PolarHBondContact ND2-OH 3.12Å; N83-Y252 VanDerWaalsContact ND2-OH 3.11Å; N83-Y252 WeakPolarHBondContact OD1-CE1 3.43Å; N83-Y252 PolarHBondContact OD1-OH 3.33Å; F149-Y252 HydrophobicContact CB-CE2 4.49Å; F149-Y252 AromaticContact CD2-CE2 3.8Å; F149-Y252 HydrophobicContact CD2-CE2 3.8Å; F149-Y252 HydrophobicContact CE2-CE2 4.44Å; F149-Y252 HydrophobicContact CG-CE2 4.31Å; Y163-Y252 AromaticContact CD1-CE1 3.88Å; Y163-Y252 HydrophobicContact CD1-CE1 3.88Å; Y163-Y252 AromaticContact CD1-CZ 3.94Å; Y163-Y252 HydrophobicContact CG-CE1 4.29Å; N165-Y252 HydrophobicContact CB-CD1 4.13Å; N165-Y252 HydrophobicContact CB-CE1 3.83Å; F225-Y252 AromaticContact CD1-CD2 3.81Å; F225-Y252 HydrophobicContact CD1-CD2 3.81Å; F225-Y252 HydrophobicContact CD1-CE1 4.17Å; F225-Y252 AromaticContact CD1-CE2 3.38Å; F225-Y252 HydrophobicContact CD1-CE2 3.38Å; F225-Y252 HydrophobicContact CD1-CG 4.37Å; F225-Y252 AromaticContact CD1-CZ 3.59Å; F225-Y252 AromaticContact CE1-CD1 3.86Å; F225-Y252 HydrophobicContact CE1-CD1 3.86Å; F225-Y252 AromaticContact CE1-CD2 3.92Å; F225-Y252 HydrophobicContact CE1-CD2 3.92Å; F225-Y252 AromaticContact CE1-CE1 3.69Å; F225-Y252 HydrophobicContact CE1-CE1 3.69Å; F225-Y252 AromaticContact CE1-CE2 3.72Å; F225-Y252 HydrophobicContact CE1-CE2 3.72Å; F225-Y252 AromaticContact CE1-CG 4Å; F225-Y252 HydrophobicContact CE1-CG 4Å; F225-Y252 AromaticContact CE1-CZ 3.61Å; F225-Y252 HydrophobicContact CG-CE2 4.37Å; F225-Y252 HydrophobicContact CZ-CE1 4.41Å; N247-Y252 WeakPolarHBondContact O-CD2 3.47Å; N247-Y252 PolarHBondContact O-N 3.49Å; L248-Y252 WeakPolarHBondContact O-CB 3.41Å; Y252-V255 HydrophobicContact CD1-CG2 3.83Å; Y252-V255 HydrophobicContact CG-CG2 3.85Å
253	M	98.3	Very high	97.8	Very high	88 Å²	88	38.1 Å²	38.1	43%	0.433	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-41.8	174.5	176.4	178.4	175.1	0	0	111.7	I162 Y163 I164 A271 L272	I162-M253 HydrophobicContact CG2-CB 3.69Å; I162-M253 HydrophobicContact CG2-CG 4.24Å; I162-M253 HydrophobicContact CG2-SD 3.52Å; I162-M253 VanDerWaalsContact CG2-SD 3.52Å; Y163-M253 PolarHBondContact O-N 2.9Å; I164-M253 HydrophobicContact CG2-CB 4.5Å; M253-A271 HydrophobicContact CE-CB 3.66Å; M253-L272 HydrophobicContact CE-CD1 4.09Å; M253-L272 HydrophobicContact CE-CD2 3.96Å; M253-L272 HydrophobicContact CE-CG 3.78Å; M253-L272 HydrophobicContact SD-CD1 3.71Å; M253-L272 HydrophobicContact SD-CD2 4.04Å; M253-L272 HydrophobicContact SD-CG 4Å
254	L	98.6	Very high	97.7	Very high	16 Å²	16	36 Å²	36	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	134	176.7	-170	65	0	0	0	110.3	I164 N165 F264 M267 L268 F328 V331	I164-L254 VanDerWaalsContact CA-O 3.29Å; I164-L254 WeakPolarHBondContact CA-O 2.98Å; N165-L254 PolarHBondContact N-O 3.5Å; N165-L254 VanDerWaalsContact N-O 3.16Å; L254-F264 HydrophobicContact CB-CE2 4.24Å; L254-F264 HydrophobicContact CD2-CD2 3.67Å; L254-F264 HydrophobicContact CD2-CE2 3.78Å; L254-F264 HydrophobicContact CG-CD2 3.93Å; L254-F264 HydrophobicContact CG-CE2 3.78Å; L254-M267 HydrophobicContact CD1-CE 4.02Å; L254-M267 HydrophobicContact CD2-CB 4Å; L254-M267 HydrophobicContact CD2-CE 4.4Å; L254-L268 HydrophobicContact CB-CD2 4.34Å; L254-L268 HydrophobicContact CD2-CD2 3.88Å; L254-L268 HydrophobicContact CD2-CG 4.08Å; L254-F328 HydrophobicContact CD1-CD2 3.99Å; L254-F328 HydrophobicContact CD1-CE2 4.24Å; L254-F328 HydrophobicContact CD2-CE2 4.41Å; L254-F328 HydrophobicContact CG-CD2 4.47Å; L254-F328 HydrophobicContact CG-CE2 4.46Å; L254-V331 HydrophobicContact CD1-CB 4.5Å; L254-V331 HydrophobicContact CD1-CG1 4.18Å
255	V	98.8	Very high	97.6	Very high	9 Å²	9	36 Å²	36	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.4	170.8	-177.8	0	0	0	0	107.6	N165 I167 F225 L248 Y252 F328	N165-V255 HydrophobicContact CB-CG1 4.43Å; N165-V255 HydrophobicContact CB-CG2 4.46Å; N165-V255 WeakPolarHBondContact O-CA 3.45Å; I167-V255 HydrophobicContact CG1-CG1 4.4Å; I167-V255 HydrophobicContact CG2-CG1 4.32Å; F225-V255 HydrophobicContact CE1-CG1 4.18Å; F225-V255 HydrophobicContact CE1-CG2 3.66Å; F225-V255 HydrophobicContact CZ-CG1 3.79Å; F225-V255 HydrophobicContact CZ-CG2 4.08Å; L248-V255 HydrophobicContact CD1-CB 4.17Å; L248-V255 HydrophobicContact CD1-CG1 4.12Å; L248-V255 HydrophobicContact CD1-CG2 4.08Å; L248-V255 HydrophobicContact CG-CB 4.36Å; L248-V255 HydrophobicContact CG-CG2 3.89Å; Y252-V255 HydrophobicContact CD1-CG2 3.83Å; Y252-V255 HydrophobicContact CG-CG2 3.85Å; V255-F328 WeakPolarHBondContact O-CB 3.35Å; V255-F328 WeakPolarHBondContact O-CD2 3.49Å
256	G	98.5	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	175.6	174.7	0	0	0	0	0	112.4	N165 L166 I167	N165-G256 PolarHBondContact O-N 3.02Å; L166-G256 WeakPolarHBondContact CA-O 3.25Å; I167-G256 PolarHBondContact N-O 3.35Å
257	V	98.5	Very high	97.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	153.1	170.4	-62.3	0	0	0	0	110.7	I167 E259 E260 L261 Y321 L325	I167-V257 HydrophobicContact CG1-CG1 4.14Å; I167-V257 CarbonylContact O-C 3.28Å; I167-V257 WeakPolarHBondContact O-CA 3.32Å; V257-E259 PolarHBondContact O-N 2.72Å; V257-E260 HydrophobicContact CG2-CB 3.76Å; V257-E260 HydrophobicContact CG2-CG 3.78Å; V257-E260 CarbonylContact O-C 3.58Å; V257-E260 PolarHBondContact O-N 3.18Å; V257-L261 PolarHBondContact O-N 2.97Å; V257-Y321 HydrophobicContact CB-CE2 4.18Å; V257-Y321 HydrophobicContact CG1-CD2 4.42Å; V257-Y321 HydrophobicContact CG1-CE2 3.68Å; V257-L325 HydrophobicContact CB-CD1 4.42Å; V257-L325 HydrophobicContact CG1-CB 4.19Å; V257-L325 HydrophobicContact CG1-CD1 3.91Å; V257-L325 HydrophobicContact CG2-CD1 3.71Å
258	T	97.4	Very high	97.2	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.129	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-62	-33.2	-175.6	-65	0	0	0	0	112.3	T88 A89 I167 E260	T88-T258 VanDerWaalsContact C-OG1 3.24Å; T88-T258 VanDerWaalsContact CA-OG1 3.24Å; T88-T258 WeakPolarHBondContact CA-OG1 3.48Å; T88-T258 WeakPolarHBondContact CB-OG1 3.4Å; T88-T258 PolarHBondContact O-OG1 2.9Å; A89-T258 HydrophobicContact CB-CG2 3.77Å; I167-T258 PolarHBondContact O-N 2.68Å; I167-T258 PolarHBondContact O-OG1 3.25Å; T258-E260 VanDerWaalsContact C-N 3.31Å
259	E	95	Very high	97.1	Very high	90 Å²	90	31.7 Å²	31.7	42%	0.421	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-72.8	-24.2	-177.2	-66.2	64.4	-145.5	0	0	112.1	R168 V257	R168-E259 WeakPolarHBondContact CG-OE1 3.31Å; R168-E259 IonicContact CZ-OE1 3.94Å; R168-E259 IonicContact NE-OE1 2.86Å; R168-E259 PolarHBondContact NE-OE1 3.03Å; V257-E259 PolarHBondContact O-N 2.72Å
260	E	96.4	Very high	96.7	Very high	38 Å²	38	30.5 Å²	30.5	18%	0.178	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-116.7	35.1	180	-56.1	-173.6	-157.6	0	0	111.1	V257 T258 E262 D263 F264 F328 Q329 R332	V257-E260 HydrophobicContact CG2-CB 3.76Å; V257-E260 HydrophobicContact CG2-CG 3.78Å; V257-E260 CarbonylContact O-C 3.58Å; V257-E260 PolarHBondContact O-N 3.18Å; T258-E260 VanDerWaalsContact C-N 3.31Å; E260-E262 VanDerWaalsContact C-N 3.27Å; E260-E262 PolarHBondContact O-N 3.49Å; E260-D263 PolarHBondContact O-N 3.35Å; E260-F264 PolarHBondContact O-N 2.8Å; E260-F264 VanDerWaalsContact O-N 3.17Å; E260-F328 HydrophobicContact CB-CD1 4.49Å; E260-F328 HydrophobicContact CB-CE1 3.8Å; E260-F328 WeakPolarHBondContact OE2-CE1 3.38Å; E260-Q329 PolarHBondContact OE1-NE2 2.59Å; E260-R332 IonicContact OE2-CZ 3.13Å; E260-R332 VanDerWaalsContact OE2-CZ 3.31Å; E260-R332 IonicContact OE2-NH1 3.49Å; E260-R332 PolarHBondContact OE2-NH1 3.43Å; E260-R332 IonicContact OE2-NH2 3.59Å
261	L	96.2	Very high	96.4	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-33.7	-175.3	178.8	59.5	0	0	0	113.4	A89 F93 L166 V257 F264 V265 Y283	A89-L261 HydrophobicContact CB-CD2 3.92Å; F93-L261 HydrophobicContact CB-CD1 4.35Å; F93-L261 HydrophobicContact CD2-CD1 4.44Å; L166-L261 HydrophobicContact CD1-CD1 3.44Å; L166-L261 VanDerWaalsContact CD1-CD1 3.44Å; L166-L261 HydrophobicContact CD2-CD1 3.94Å; L166-L261 HydrophobicContact CG-CD1 4.34Å; V257-L261 PolarHBondContact O-N 2.97Å; L261-F264 HydrophobicContact CD1-CD1 4.13Å; L261-F264 PolarHBondContact O-N 2.71Å; L261-V265 HydrophobicContact CD1-CG2 4.26Å; L261-V265 HydrophobicContact CG-CG2 4.49Å; L261-V265 VanDerWaalsContact O-CG2 3.31Å; L261-V265 WeakPolarHBondContact O-CG2 3.3Å; L261-V265 PolarHBondContact O-N 3.49Å; L261-Y283 HydrophobicContact CD2-CE2 3.79Å; L261-Y283 HydrophobicContact CG-CE2 4.05Å
262	E	94.4	Very high	96.3	Very high	76 Å²	76	28 Å²	28	36%	0.355	15%	0.153	S	C	.	.	H	α-helix	trans	-62.3	-49.8	179	-171.3	169.2	152.9	0	0	111.6	E260 F264 V265 M266 Y283 K284	E260-E262 VanDerWaalsContact C-N 3.27Å; E260-E262 PolarHBondContact O-N 3.49Å; E262-F264 VanDerWaalsContact C-N 3.28Å; E262-F264 PolarHBondContact O-N 3Å; E262-V265 WeakPolarHBondContact O-CB 3.44Å; E262-V265 PolarHBondContact O-N 2.94Å; E262-V265 VanDerWaalsContact O-N 3.13Å; E262-M266 PolarHBondContact O-N 3.4Å; E262-Y283 HydrophobicContact CB-CD1 4.1Å; E262-Y283 HydrophobicContact CB-CE1 3.61Å; E262-Y283 HydrophobicContact CG-CD1 3.88Å; E262-Y283 HydrophobicContact CG-CE1 3.84Å; E262-K284 WeakPolarHBondContact OE1-CE 3.43Å; E262-K284 IonicContact OE1-NZ 2.72Å
263	D	94.7	Very high	96.1	Very high	28 Å²	28	29.3 Å²	29.3	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-40.1	177.5	-67.3	-8.1	0	0	0	111.1	E260 V265 M266 M267 F328 R332 L343	E260-D263 PolarHBondContact O-N 3.35Å; D263-V265 VanDerWaalsContact C-N 3.34Å; D263-V265 PolarHBondContact O-N 2.94Å; D263-M266 PolarHBondContact O-N 3.32Å; D263-M267 WeakPolarHBondContact O-CB 3.12Å; D263-M267 WeakPolarHBondContact O-CG 3.39Å; D263-M267 PolarHBondContact O-N 3.27Å; D263-F328 HydrophobicContact CB-CE1 4.33Å; D263-F328 HydrophobicContact CB-CZ 4.03Å; D263-R332 WeakPolarHBondContact OD2-CD 3.43Å; D263-R332 IonicContact OD2-CZ 3.25Å; D263-R332 IonicContact OD2-NE 3.35Å; D263-R332 IonicContact OD2-NH1 2.72Å; D263-R332 PolarHBondContact OD2-NH1 3.49Å; D263-L343 WeakPolarHBondContact OD1-CD1 3.35Å
264	F	97.4	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-44.2	175.3	176.4	-101.7	0	0	0	111.7	F93 I164 N165 L166 L254 E260 L261 E262 L268 F328	F93-F264 HydrophobicContact CD1-CE1 4.46Å; F93-F264 HydrophobicContact CD2-CD1 4.34Å; F93-F264 HydrophobicContact CD2-CE1 4.08Å; F93-F264 HydrophobicContact CE1-CE1 4.06Å; F93-F264 HydrophobicContact CE2-CD1 4.11Å; F93-F264 AromaticContact CE2-CE1 3.66Å; F93-F264 HydrophobicContact CE2-CE1 3.66Å; F93-F264 HydrophobicContact CG-CE1 4.48Å; F93-F264 AromaticContact CZ-CE1 3.65Å; F93-F264 HydrophobicContact CZ-CE1 3.65Å; F93-F264 HydrophobicContact CZ-CZ 4.4Å; I164-F264 HydrophobicContact CB-CZ 4.45Å; N165-F264 WeakPolarHBondContact O-CZ 3.38Å; L166-F264 HydrophobicContact CD1-CD1 4.11Å; L166-F264 HydrophobicContact CD1-CE1 3.89Å; L166-F264 HydrophobicContact CD2-CB 4.3Å; L166-F264 HydrophobicContact CD2-CD1 3.62Å; L166-F264 HydrophobicContact CD2-CD2 4.21Å; L166-F264 HydrophobicContact CD2-CE1 3.85Å; L166-F264 HydrophobicContact CD2-CE2 4.43Å; L166-F264 HydrophobicContact CD2-CG 3.78Å; L166-F264 HydrophobicContact CD2-CZ 4.24Å; L166-F264 HydrophobicContact CG-CD1 3.98Å; L166-F264 HydrophobicContact CG-CE1 3.7Å; L166-F264 HydrophobicContact CG-CZ 4.08Å; L254-F264 HydrophobicContact CB-CE2 4.24Å; L254-F264 HydrophobicContact CD2-CD2 3.67Å; L254-F264 HydrophobicContact CD2-CE2 3.78Å; L254-F264 HydrophobicContact CG-CD2 3.93Å; L254-F264 HydrophobicContact CG-CE2 3.78Å; E260-F264 PolarHBondContact O-N 2.8Å; E260-F264 VanDerWaalsContact O-N 3.17Å; L261-F264 HydrophobicContact CD1-CD1 4.13Å; L261-F264 PolarHBondContact O-N 2.71Å; E262-F264 VanDerWaalsContact C-N 3.28Å; E262-F264 PolarHBondContact O-N 3Å; F264-L268 HydrophobicContact CD1-CD1 3.99Å; F264-L268 HydrophobicContact CE1-CD1 3.42Å; F264-L268 VanDerWaalsContact CE1-CD1 3.42Å; F264-L268 HydrophobicContact CE1-CG 4.4Å; F264-L268 HydrophobicContact CE2-CD1 4.14Å; F264-L268 HydrophobicContact CE2-CG 4.43Å; F264-L268 HydrophobicContact CZ-CD1 3.52Å; F264-L268 HydrophobicContact CZ-CG 4.28Å; F264-L268 WeakPolarHBondContact O-CG 3.49Å; F264-L268 PolarHBondContact O-N 3.15Å; F264-L268 VanDerWaalsContact O-N 3.1Å; F264-F328 HydrophobicContact CB-CE2 4.07Å; F264-F328 HydrophobicContact CB-CZ 3.94Å; F264-F328 HydrophobicContact CD2-CE2 4.02Å
265	V	96.8	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-45	176.8	170.5	0	0	0	0	111.2	F93 I96 L261 E262 D263 L268 E269 A279	F93-V265 HydrophobicContact CD2-CG2 4.02Å; F93-V265 HydrophobicContact CE2-CG2 4.26Å; I96-V265 HydrophobicContact CD1-CG1 4.31Å; I96-V265 HydrophobicContact CD1-CG2 3.83Å; L261-V265 HydrophobicContact CD1-CG2 4.26Å; L261-V265 HydrophobicContact CG-CG2 4.49Å; L261-V265 VanDerWaalsContact O-CG2 3.31Å; L261-V265 WeakPolarHBondContact O-CG2 3.3Å; L261-V265 PolarHBondContact O-N 3.49Å; E262-V265 WeakPolarHBondContact O-CB 3.44Å; E262-V265 PolarHBondContact O-N 2.94Å; E262-V265 VanDerWaalsContact O-N 3.13Å; D263-V265 VanDerWaalsContact C-N 3.34Å; D263-V265 PolarHBondContact O-N 2.94Å; V265-L268 PolarHBondContact O-N 2.84Å; V265-E269 PolarHBondContact O-N 2.9Å; V265-A279 HydrophobicContact CG1-CB 3.6Å
266	M	94.9	Very high	95.8	Very high	23 Å²	23	26.3 Å²	26.3	11%	0.113	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-44.6	178.9	-179.3	-172.9	58.2	0	0	112.2	E262 D263 L268 E269 A270 T280 V336 L343	E262-M266 PolarHBondContact O-N 3.4Å; D263-M266 PolarHBondContact O-N 3.32Å; M266-L268 VanDerWaalsContact C-N 3.33Å; M266-L268 PolarHBondContact O-N 3.34Å; M266-E269 PolarHBondContact O-N 3.21Å; M266-A270 PolarHBondContact O-N 2.82Å; M266-A270 VanDerWaalsContact O-N 3.14Å; M266-T280 WeakPolarHBondContact CA-OG1 3.13Å; M266-T280 HydrophobicContact CB-CG2 4.27Å; M266-V336 HydrophobicContact CE-CG1 3.79Å; M266-L343 HydrophobicContact CE-CB 3.68Å; M266-L343 HydrophobicContact CE-CD1 3.82Å; M266-L343 HydrophobicContact CE-CG 4.42Å; M266-L343 HydrophobicContact SD-CB 3.97Å
267	M	95.4	Very high	95.7	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.044	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-38.9	177.6	-70.5	173.4	69.6	0	0	111.9	L254 D263 A270 A271 F328 V331 R332 A335	L254-M267 HydrophobicContact CD1-CE 4.02Å; L254-M267 HydrophobicContact CD2-CB 4Å; L254-M267 HydrophobicContact CD2-CE 4.4Å; D263-M267 WeakPolarHBondContact O-CB 3.12Å; D263-M267 WeakPolarHBondContact O-CG 3.39Å; D263-M267 PolarHBondContact O-N 3.27Å; M267-A270 PolarHBondContact O-N 3.13Å; M267-A271 WeakPolarHBondContact O-CB 3.31Å; M267-A271 PolarHBondContact O-N 2.85Å; M267-F328 HydrophobicContact CE-CE2 4.4Å; M267-F328 HydrophobicContact SD-CE2 3.7Å; M267-F328 HydrophobicContact SD-CZ 3.91Å; M267-V331 HydrophobicContact CE-CB 3.96Å; M267-V331 HydrophobicContact CE-CG1 3.41Å; M267-V331 VanDerWaalsContact CE-CG1 3.41Å; M267-R332 HydrophobicContact CE-CB 4.29Å; M267-R332 HydrophobicContact SD-CB 3.8Å; M267-R332 HydrophobicContact SD-CG 4.08Å; M267-A335 HydrophobicContact CE-CB 4.26Å
268	L	97.1	Very high	95.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-68.9	-36.2	175	-72.7	-177.5	0	0	0	113.1	F93 I164 L254 F264 V265 M266 A270 A271 L272 F276	F93-L268 HydrophobicContact CE2-CD1 3.78Å; F93-L268 HydrophobicContact CZ-CD1 3.51Å; I164-L268 HydrophobicContact CD1-CD1 3.93Å; I164-L268 HydrophobicContact CG2-CD2 4.19Å; L254-L268 HydrophobicContact CB-CD2 4.34Å; L254-L268 HydrophobicContact CD2-CD2 3.88Å; L254-L268 HydrophobicContact CD2-CG 4.08Å; F264-L268 HydrophobicContact CD1-CD1 3.99Å; F264-L268 HydrophobicContact CE1-CD1 3.42Å; F264-L268 VanDerWaalsContact CE1-CD1 3.42Å; F264-L268 HydrophobicContact CE1-CG 4.4Å; F264-L268 HydrophobicContact CE2-CD1 4.14Å; F264-L268 HydrophobicContact CE2-CG 4.43Å; F264-L268 HydrophobicContact CZ-CD1 3.52Å; F264-L268 HydrophobicContact CZ-CG 4.28Å; F264-L268 WeakPolarHBondContact O-CG 3.49Å; F264-L268 PolarHBondContact O-N 3.15Å; F264-L268 VanDerWaalsContact O-N 3.1Å; V265-L268 PolarHBondContact O-N 2.84Å; M266-L268 VanDerWaalsContact C-N 3.33Å; M266-L268 PolarHBondContact O-N 3.34Å; L268-A270 VanDerWaalsContact C-N 3.27Å; L268-A270 PolarHBondContact O-N 2.87Å; L268-A271 PolarHBondContact O-N 3.47Å; L268-L272 HydrophobicContact CD2-CD1 4.32Å; L268-L272 CarbonylContact O-C 3.51Å; L268-L272 WeakPolarHBondContact O-CA 3.47Å; L268-L272 PolarHBondContact O-N 2.87Å; L268-F276 HydrophobicContact CB-CB 4.49Å; L268-F276 HydrophobicContact CB-CD2 3.73Å; L268-F276 HydrophobicContact CB-CE2 4.02Å; L268-F276 HydrophobicContact CB-CG 4.03Å; L268-F276 HydrophobicContact CD1-CE1 4.33Å; L268-F276 HydrophobicContact CD1-CE2 4.08Å; L268-F276 HydrophobicContact CD1-CZ 3.96Å; L268-F276 HydrophobicContact CD2-CE2 4.43Å; L268-F276 HydrophobicContact CG-CE2 4.43Å
269	E	95.8	Very high	95.5	Very high	48 Å²	48	34.2 Å²	34.2	22%	0.224	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-41.6	172.9	175.5	161.4	-164.3	0	0	111.9	V265 M266 P273 F276 G278 A279 T280	V265-E269 PolarHBondContact O-N 2.9Å; M266-E269 PolarHBondContact O-N 3.21Å; E269-P273 WeakPolarHBondContact O-CA 3Å; E269-F276 HydrophobicContact CB-CB 4.23Å; E269-F276 WeakPolarHBondContact CB-O 3.24Å; E269-F276 VanDerWaalsContact CG-O 3.27Å; E269-F276 WeakPolarHBondContact CG-O 3.28Å; E269-G278 WeakPolarHBondContact OE1-CA 3.26Å; E269-G278 PolarHBondContact OE1-N 3.06Å; E269-A279 PolarHBondContact OE2-N 3.45Å; E269-T280 WeakPolarHBondContact OE2-CB 3.44Å; E269-T280 PolarHBondContact OE2-N 3.39Å; E269-T280 PolarHBondContact OE2-OG1 2.87Å
270	A	91.9	Very high	95.5	Very high	48 Å²	48	30.9 Å²	30.9	40%	0.397	17%	0.166	S	C	.	.	H	α-helix	trans	-73.9	-42.6	178.7	0	0	0	0	0	113.1	M266 M267 L268 M345	M266-A270 PolarHBondContact O-N 2.82Å; M266-A270 VanDerWaalsContact O-N 3.14Å; M267-A270 PolarHBondContact O-N 3.13Å; L268-A270 VanDerWaalsContact C-N 3.27Å; L268-A270 PolarHBondContact O-N 2.87Å; A270-M345 HydrophobicContact CB-CB 4.49Å; A270-M345 HydrophobicContact CB-CE 3.36Å; A270-M345 HydrophobicContact CB-CG 3.55Å; A270-M345 HydrophobicContact CB-SD 3.53Å; A270-M345 VanDerWaalsContact CB-SD 3.53Å
271	A	92.1	Very high	95.4	Very high	55 Å²	55	34.4 Å²	34.4	46%	0.455	18%	0.182	S	C	.	.	H	α-helix	trans	-82	-31.2	-174.5	0	0	0	0	0	113.6	M253 M267 L268 P273	M253-A271 HydrophobicContact CE-CB 3.66Å; M267-A271 WeakPolarHBondContact O-CB 3.31Å; M267-A271 PolarHBondContact O-N 2.85Å; L268-A271 PolarHBondContact O-N 3.47Å; A271-P273 VanDerWaalsContact C-CD 3.47Å
272	L	95.6	Very high	95.3	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.084	19%	0.194	C	C	.	.			trans	-132	60.4	-176.7	-64.5	174.4	0	0	0	111	I80 I162 M253 L268 R274 F275 F276	I80-L272 HydrophobicContact CD1-CD1 3.75Å; I80-L272 HydrophobicContact CG1-CD1 4.44Å; I162-L272 HydrophobicContact CD1-CD2 3.93Å; I162-L272 HydrophobicContact CG2-CD1 4.27Å; M253-L272 HydrophobicContact CE-CD1 4.09Å; M253-L272 HydrophobicContact CE-CD2 3.96Å; M253-L272 HydrophobicContact CE-CG 3.78Å; M253-L272 HydrophobicContact SD-CD1 3.71Å; M253-L272 HydrophobicContact SD-CD2 4.04Å; M253-L272 HydrophobicContact SD-CG 4Å; L268-L272 HydrophobicContact CD2-CD1 4.32Å; L268-L272 CarbonylContact O-C 3.51Å; L268-L272 WeakPolarHBondContact O-CA 3.47Å; L268-L272 PolarHBondContact O-N 2.87Å; L272-R274 PolarHBondContact O-N 3.17Å; L272-R274 VanDerWaalsContact O-N 3.12Å; L272-F275 PolarHBondContact O-N 3.38Å; L272-F276 HydrophobicContact CB-CD2 3.82Å; L272-F276 HydrophobicContact CB-CE2 4.09Å; L272-F276 HydrophobicContact CD1-CE2 4.13Å; L272-F276 PolarHBondContact O-N 2.87Å
273	P	94.3	Very high	95.2	Very high	44 Å²	44	34.2 Å²	34.2	29%	0.286	18%	0.182	S	C	.	.	H	α-helix	trans	-62.5	-25.5	-173.7	25.5	-35.4	0	0	0	113	E269 A271 F275 R277	E269-P273 WeakPolarHBondContact O-CA 3Å; A271-P273 VanDerWaalsContact C-CD 3.47Å; P273-F275 PolarHBondContact O-N 2.96Å; P273-R277 WeakPolarHBondContact O-CB 3.43Å; P273-R277 PolarHBondContact O-N 2.97Å
274	R	94.8	Very high	95	Very high	49 Å²	49	37.2 Å²	37.2	19%	0.185	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-29.6	173.5	-179	54.9	-175.3	-99	-3.4	112.7	D76 N104 H105 P140 L272	D76-R274 IonicContact OD1-CZ 2.68Å; D76-R274 IonicContact OD1-NH1 3.83Å; D76-R274 PolarHBondContact OD1-NH1 3.44Å; D76-R274 IonicContact OD1-NH2 3.25Å; D76-R274 PolarHBondContact OD1-NH2 2.91Å; N104-R274 WeakPolarHBondContact CB-O 3.34Å; N104-R274 PolarHBondContact O-NE 3Å; N104-R274 VanDerWaalsContact O-NE 3.11Å; H105-R274 PolarHBondContact O-NH2 3.12Å; P140-R274 HydrophobicContact CG-CG 4.44Å; L272-R274 PolarHBondContact O-N 3.17Å; L272-R274 VanDerWaalsContact O-N 3.12Å
275	F	97.8	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-99.5	-41	177.9	-68.1	-91.3	0	0	0	112.1	L78 I80 N104 Y106 P140 F142 L272 P273	L78-F275 HydrophobicContact CB-CE2 3.74Å; L78-F275 HydrophobicContact CB-CZ 3.95Å; L78-F275 HydrophobicContact CD1-CE2 4.12Å; I80-F275 HydrophobicContact CD1-CB 3.98Å; I80-F275 HydrophobicContact CD1-CD1 3.78Å; I80-F275 HydrophobicContact CD1-CD2 3.47Å; I80-F275 VanDerWaalsContact CD1-CD2 3.47Å; I80-F275 HydrophobicContact CD1-CE1 4.08Å; I80-F275 HydrophobicContact CD1-CE2 3.8Å; I80-F275 HydrophobicContact CD1-CG 3.45Å; I80-F275 VanDerWaalsContact CD1-CG 3.45Å; I80-F275 HydrophobicContact CD1-CZ 4.08Å; I80-F275 HydrophobicContact CG1-CD1 4.44Å; I80-F275 HydrophobicContact CG1-CD2 4.21Å; I80-F275 HydrophobicContact CG1-CE1 4.25Å; I80-F275 HydrophobicContact CG1-CE2 4.01Å; I80-F275 HydrophobicContact CG1-CG 4.41Å; I80-F275 HydrophobicContact CG1-CZ 4.02Å; N104-F275 PolarHBondContact ND2-O 3.4Å; N104-F275 VanDerWaalsContact ND2-O 3.13Å; Y106-F275 HydrophobicContact CD1-CD1 4.09Å; Y106-F275 AromaticContact CD2-CD1 3.69Å; Y106-F275 HydrophobicContact CD2-CD1 3.69Å; Y106-F275 AromaticContact CD2-CE1 3.97Å; Y106-F275 HydrophobicContact CD2-CE1 3.97Å; Y106-F275 HydrophobicContact CE1-CB 4.32Å; Y106-F275 HydrophobicContact CE1-CD1 4.24Å; Y106-F275 WeakPolarHBondContact CE1-O 3.5Å; Y106-F275 AromaticContact CE2-CD1 3.88Å; Y106-F275 HydrophobicContact CE2-CD1 3.88Å; Y106-F275 AromaticContact CG-CD1 3.8Å; Y106-F275 HydrophobicContact CG-CD1 3.8Å; Y106-F275 HydrophobicContact CG-CE1 4.05Å; Y106-F275 PolarHBondContact OH-O 2.81Å; Y106-F275 VanDerWaalsContact OH-O 3.09Å; P140-F275 HydrophobicContact CB-CE1 4.31Å; P140-F275 HydrophobicContact CB-CE2 4.49Å; P140-F275 HydrophobicContact CB-CZ 3.78Å; F142-F275 HydrophobicContact CB-CD1 4.4Å; F142-F275 HydrophobicContact CB-CE1 4.4Å; L272-F275 PolarHBondContact O-N 3.38Å; P273-F275 PolarHBondContact O-N 2.96Å
276	F	97.4	Very high	94	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-116.1	10.5	-163.1	-56.9	-74.2	0	0	0	114.8	I80 F93 F142 I164 L268 E269 L272 G278 A279	I80-F276 HydrophobicContact CD1-CE2 3.7Å; I80-F276 HydrophobicContact CD1-CZ 4.06Å; F93-F276 HydrophobicContact CE2-CE1 4.02Å; F93-F276 AromaticContact CZ-CE1 3.72Å; F93-F276 HydrophobicContact CZ-CE1 3.72Å; F93-F276 AromaticContact CZ-CZ 3.98Å; F93-F276 HydrophobicContact CZ-CZ 3.98Å; F142-F276 HydrophobicContact CD2-CZ 4.35Å; F142-F276 HydrophobicContact CE2-CE1 4.37Å; F142-F276 AromaticContact CE2-CZ 3.94Å; F142-F276 HydrophobicContact CE2-CZ 3.94Å; I164-F276 HydrophobicContact CD1-CZ 4.13Å; L268-F276 HydrophobicContact CB-CB 4.49Å; L268-F276 HydrophobicContact CB-CD2 3.73Å; L268-F276 HydrophobicContact CB-CE2 4.02Å; L268-F276 HydrophobicContact CB-CG 4.03Å; L268-F276 HydrophobicContact CD1-CE1 4.33Å; L268-F276 HydrophobicContact CD1-CE2 4.08Å; L268-F276 HydrophobicContact CD1-CZ 3.96Å; L268-F276 HydrophobicContact CD2-CE2 4.43Å; L268-F276 HydrophobicContact CG-CE2 4.43Å; E269-F276 HydrophobicContact CB-CB 4.23Å; E269-F276 WeakPolarHBondContact CB-O 3.24Å; E269-F276 VanDerWaalsContact CG-O 3.27Å; E269-F276 WeakPolarHBondContact CG-O 3.28Å; L272-F276 HydrophobicContact CB-CD2 3.82Å; L272-F276 HydrophobicContact CB-CE2 4.09Å; L272-F276 HydrophobicContact CD1-CE2 4.13Å; L272-F276 PolarHBondContact O-N 2.87Å; F276-G278 PolarHBondContact O-N 3.21Å; F276-A279 HydrophobicContact CB-CB 3.97Å; F276-A279 WeakPolarHBondContact O-CB 3.44Å; F276-A279 PolarHBondContact O-N 3.4Å
277	R	96.4	Very high	93.3	Very high	165 Å²	165	51.6 Å²	51.6	62%	0.623	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	124.1	171.4	-178.1	-179.2	-65.9	166.5	1.5	110.4	N104 P273	N104-R277 PolarHBondContact ND2-N 3.26Å; N104-R277 PolarHBondContact ND2-O 3.16Å; P273-R277 WeakPolarHBondContact O-CB 3.43Å; P273-R277 PolarHBondContact O-N 2.97Å
278	G	95.6	Very high	92.7	Very high	22 Å²	22	55.8 Å²	55.8	23%	0.227	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	6.2	-174.5	0	0	0	0	0	115.2	E269 F276 L282	E269-G278 WeakPolarHBondContact OE1-CA 3.26Å; E269-G278 PolarHBondContact OE1-N 3.06Å; F276-G278 PolarHBondContact O-N 3.21Å; G278-L282 WeakPolarHBondContact O-CB 3.36Å; G278-L282 PolarHBondContact O-N 3.32Å; G278-L282 VanDerWaalsContact O-N 3.15Å
279	A	96.5	Very high	91.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-71.6	-40.6	-175	0	0	0	0	0	113.5	I96 L100 V265 E269 F276 L282 Y283	I96-A279 HydrophobicContact CG2-CB 3.67Å; L100-A279 HydrophobicContact CD1-CB 3.73Å; V265-A279 HydrophobicContact CG1-CB 3.6Å; E269-A279 PolarHBondContact OE2-N 3.45Å; F276-A279 HydrophobicContact CB-CB 3.97Å; F276-A279 WeakPolarHBondContact O-CB 3.44Å; F276-A279 PolarHBondContact O-N 3.4Å; A279-L282 PolarHBondContact O-N 2.91Å; A279-Y283 WeakPolarHBondContact O-CB 3.44Å; A279-Y283 PolarHBondContact O-N 2.92Å
280	T	93.9	Very high	91.1	Very high	21 Å²	21	60.1 Å²	60.1	13%	0.129	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-47.1	-179.8	-50.9	0	0	0	0	110.5	M266 E269 L282 Y283 K284	M266-T280 WeakPolarHBondContact CA-OG1 3.13Å; M266-T280 HydrophobicContact CB-CG2 4.27Å; E269-T280 WeakPolarHBondContact OE2-CB 3.44Å; E269-T280 PolarHBondContact OE2-N 3.39Å; E269-T280 PolarHBondContact OE2-OG1 2.87Å; T280-L282 PolarHBondContact O-N 2.96Å; T280-Y283 PolarHBondContact O-N 3.35Å; T280-K284 HydrophobicContact CG2-CD 4.28Å; T280-K284 WeakPolarHBondContact O-CG 3.28Å; T280-K284 PolarHBondContact O-N 2.91Å
281	E	93.9	Very high	90.6	Very high	111 Å²	111	59.4 Å²	59.4	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.3	-179.6	54.2	-144.3	0	0	111	Y283 K284 T285	E281-Y283 PolarHBondContact O-N 3.35Å; E281-K284 PolarHBondContact O-N 3.47Å; E281-T285 PolarHBondContact O-N 2.86Å; E281-T285 PolarHBondContact O-OG1 3.2Å; E281-T285 WeakPolarHBondContact OE1-CG2 3.45Å; E281-T285 PolarHBondContact OE1-OG1 3.36Å
282	L	94	Very high	90.3	Very high	51 Å²	51	59.7 Å²	59.7	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-34.9	176.9	-178.4	62.8	0	0	0	112.5	I96 D99 L100 G278 A279 T280 G286	I96-L282 HydrophobicContact CG2-CD2 4.35Å; D99-L282 HydrophobicContact CB-CD2 3.74Å; L100-L282 HydrophobicContact CD2-CD2 4.16Å; L100-L282 HydrophobicContact CG-CD2 4.1Å; G278-L282 WeakPolarHBondContact O-CB 3.36Å; G278-L282 PolarHBondContact O-N 3.32Å; G278-L282 VanDerWaalsContact O-N 3.15Å; A279-L282 PolarHBondContact O-N 2.91Å; T280-L282 PolarHBondContact O-N 2.96Å; L282-G286 WeakPolarHBondContact O-CA 3.48Å; L282-G286 PolarHBondContact O-N 3.23Å
283	Y	93.4	Very high	89.8	Confident	26 Å²	26	67 Å²	67	10%	0.102	31%	0.314	C	S	.	.	H	α-helix	trans	-72	-45.9	176.1	-178	-95.7	0	0	0	112	I96 L261 E262 A279 T280 E281 S289	I96-Y283 HydrophobicContact CD1-CD2 4.05Å; L261-Y283 HydrophobicContact CD2-CE2 3.79Å; L261-Y283 HydrophobicContact CG-CE2 4.05Å; E262-Y283 HydrophobicContact CB-CD1 4.1Å; E262-Y283 HydrophobicContact CB-CE1 3.61Å; E262-Y283 HydrophobicContact CG-CD1 3.88Å; E262-Y283 HydrophobicContact CG-CE1 3.84Å; A279-Y283 WeakPolarHBondContact O-CB 3.44Å; A279-Y283 PolarHBondContact O-N 2.92Å; T280-Y283 PolarHBondContact O-N 3.35Å; E281-Y283 PolarHBondContact O-N 3.35Å; Y283-S289 VanDerWaalsContact O-CB 3.32Å; Y283-S289 WeakPolarHBondContact O-CB 3.47Å
284	K	90.3	Very high	89.2	Confident	92 Å²	92	65.8 Å²	65.8	40%	0.4	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-44.6	-178.8	-76.3	-175.5	168.5	-173.1	0	112.6	E262 T280 E281 E342	E262-K284 WeakPolarHBondContact OE1-CE 3.43Å; E262-K284 IonicContact OE1-NZ 2.72Å; T280-K284 HydrophobicContact CG2-CD 4.28Å; T280-K284 WeakPolarHBondContact O-CG 3.28Å; T280-K284 PolarHBondContact O-N 2.91Å; E281-K284 PolarHBondContact O-N 3.47Å; K284-E342 IonicContact NZ-OE2 3.23Å; K284-E342 PolarHBondContact NZ-OE2 3.38Å
285	T	90.1	Very high	88.6	Confident	96 Å²	96	66.8 Å²	66.8	59%	0.589	32%	0.321	S	S	*	.	H	α-helix	trans	-104	-12	-173.2	61.7	0	0	0	0	114.2	E281	E281-T285 PolarHBondContact O-N 2.86Å; E281-T285 PolarHBondContact O-OG1 3.2Å; E281-T285 WeakPolarHBondContact OE1-CG2 3.45Å; E281-T285 PolarHBondContact OE1-OG1 3.36Å
286	G	82.8	Confident	88.1	Confident	19 Å²	19	72.4 Å²	72.4	20%	0.196	35%	0.347	C	S	.	.			trans	-74.8	142	-178.3	0	0	0	0	0	113.8	L282 K288 S289	L282-G286 WeakPolarHBondContact O-CA 3.48Å; L282-G286 PolarHBondContact O-N 3.23Å; G286-K288 PolarHBondContact O-N 3.37Å; G286-S289 PolarHBondContact O-OG 3.5Å
287	K	80.2	Confident	87.8	Confident	210 Å²	210	77.5 Å²	77.5	91%	0.913	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.9	173	-58.8	-176.4	-178.7	179.3	0	113.6
288	K	82.8	Confident	87.6	Confident	96 Å²	96	75.5 Å²	75.5	42%	0.417	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	15.9	-175.3	-66.4	-173.5	-165.5	165.3	0	113.3	D99 G286 H290 L291	D99-K288 IonicContact OD1-NZ 2.98Å; D99-K288 PolarHBondContact OD1-NZ 3.11Å; D99-K288 WeakPolarHBondContact OD2-CD 3.43Å; D99-K288 IonicContact OD2-NZ 3Å; D99-K288 PolarHBondContact OD2-NZ 3.11Å; G286-K288 PolarHBondContact O-N 3.37Å; K288-H290 VanDerWaalsContact C-N 3.33Å; K288-H290 PolarHBondContact O-N 3.3Å; K288-L291 HydrophobicContact CB-CD1 3.98Å; K288-L291 HydrophobicContact CB-CD2 4.22Å; K288-L291 HydrophobicContact CB-CG 4.17Å; K288-L291 HydrophobicContact CG-CD1 4.42Å; K288-L291 HydrophobicContact CG-CD2 4.33Å; K288-L291 WeakPolarHBondContact O-CG 3.28Å
289	S	76.6	Confident	87.5	Confident	22 Å²	22	79.6 Å²	79.6	15%	0.154	39%	0.388	C	S	.	.	S	Bend	trans	-68.1	-29.7	178.9	46.4	0	0	0	0	113.4	S92 Y283 G286	S92-S289 WeakPolarHBondContact CB-O 3.31Å; S92-S289 PolarHBondContact OG-O 2.91Å; Y283-S289 VanDerWaalsContact O-CB 3.32Å; Y283-S289 WeakPolarHBondContact O-CB 3.47Å; G286-S289 PolarHBondContact O-OG 3.5Å
290	H	82.1	Confident	87.5	Confident	119 Å²	119	81.2 Å²	81.2	55%	0.551	40%	0.398	S	S	*	.	S	Bend	trans	-123.8	71.4	-179.6	-58	-64.7	0	0	0	112.7	K288	K288-H290 VanDerWaalsContact C-N 3.33Å; K288-H290 PolarHBondContact O-N 3.3Å
291	L	83	Confident	87.7	Confident	33 Å²	33	83.3 Å²	83.3	17%	0.173	41%	0.411	C	S	.	.			trans	-89.6	153.8	179	-64.7	175.4	0	0	0	113.1	T91 S92 N95 Y187 K288	T91-L291 HydrophobicContact CG2-CB 4.05Å; S92-L291 PolarHBondContact OG-N 3.36Å; N95-L291 HydrophobicContact CB-CD1 3.73Å; N95-L291 VanDerWaalsContact CG-CD1 3.41Å; N95-L291 VanDerWaalsContact ND2-CD1 3.33Å; N95-L291 WeakPolarHBondContact ND2-CD1 3.49Å; Y187-L291 HydrophobicContact CD2-CB 4.35Å; Y187-L291 HydrophobicContact CD2-CD1 4.45Å; Y187-L291 HydrophobicContact CD2-CD2 4.16Å; Y187-L291 HydrophobicContact CE2-CD1 4.11Å; Y187-L291 HydrophobicContact CE2-CD2 4.42Å; K288-L291 HydrophobicContact CB-CD1 3.98Å; K288-L291 HydrophobicContact CB-CD2 4.22Å; K288-L291 HydrophobicContact CB-CG 4.17Å; K288-L291 HydrophobicContact CG-CD1 4.42Å; K288-L291 HydrophobicContact CG-CD2 4.33Å; K288-L291 WeakPolarHBondContact O-CG 3.28Å
292	R	84.2	Confident	87.9	Confident	61 Å²	61	87.1 Å²	87.1	23%	0.23	43%	0.426	C	S	.	.	S	Bend	trans	61.8	46.5	174.1	-161.8	-174	-70.2	-82.1	1.3	111.9	T91 D185 D186 Y187	T91-R292 HydrophobicContact CG2-CB 4.03Å; T91-R292 WeakPolarHBondContact OG1-CD 3.48Å; T91-R292 PolarHBondContact OG1-NE 2.69Å; D185-R292 HydrophobicContact CB-CB 4.5Å; D185-R292 HydrophobicContact CB-CG 3.53Å; D185-R292 VanDerWaalsContact CG-CG 3.48Å; D185-R292 IonicContact OD1-NH1 3.49Å; D185-R292 IonicContact OD2-CZ 2.75Å; D185-R292 IonicContact OD2-NH1 3.89Å; D185-R292 PolarHBondContact OD2-NH1 2.93Å; D186-R292 WeakPolarHBondContact OD1-CA 3.37Å; D186-R292 PolarHBondContact OD1-N 2.96Å; D186-R292 VanDerWaalsContact OD1-N 3.07Å; Y187-R292 VanDerWaalsContact CD1-NH2 3.29Å
293	R	85.1	Confident	88.1	Confident	168 Å²	168	91.8 Å²	91.8	63%	0.634	45%	0.446	S	S	*	.			trans	-69.2	137.9	170.7	-60	176.3	61	171.2	-1.6	108.3	D185 D186 S295	D185-R293 VanDerWaalsContact CA-O 3.27Å; D185-R293 WeakPolarHBondContact CA-O 3.29Å; D186-R293 PolarHBondContact N-O 3.21Å; D186-R293 VanDerWaalsContact N-O 3.17Å; D186-R293 PolarHBondContact OD1-N 2.92Å; D186-R293 WeakPolarHBondContact OD2-CB 3.35Å; R293-S295 PolarHBondContact O-N 3.5Å
294	T	82.6	Confident	88.3	Confident	20 Å²	20	90.7 Å²	90.7	12%	0.123	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-67.9	123.8	171.9	-59.9	0	0	0	0	108	K87 S176 F180 E296	K87-T294 PolarHBondContact NZ-OG1 3.16Å; K87-T294 VanDerWaalsContact NZ-OG1 3.08Å; S176-T294 PolarHBondContact O-OG1 3.46Å; F180-T294 HydrophobicContact CB-CG2 4.34Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 WeakPolarHBondContact CG2-O 3.36Å; T294-E296 PolarHBondContact O-N 2.9Å
295	S	82.7	Confident	88.7	Confident	70 Å²	70	88.6 Å²	88.6	49%	0.49	44%	0.435	S	S	.	.	S	Bend	trans	-56	-44.8	-169	-46.3	0	0	0	0	113	F183 R293	F183-S295 PolarHBondContact O-OG 2.67Å; R293-S295 PolarHBondContact O-N 3.5Å
296	E	87.3	Confident	89.1	Confident	117 Å²	117	86 Å²	86	55%	0.547	42%	0.424	S	S	.	.	S	Bend	trans	-128.4	125.1	176.4	-66.5	178.5	-141.6	0	0	108.9	Y179 F183 T294	Y179-E296 WeakPolarHBondContact CB-O 3.49Å; F183-E296 HydrophobicContact CB-CB 4.12Å; F183-E296 HydrophobicContact CD1-CB 4.32Å; F183-E296 HydrophobicContact CD2-CB 3.7Å; F183-E296 WeakPolarHBondContact CD2-O 3.36Å; F183-E296 HydrophobicContact CE2-CB 4.11Å; F183-E296 HydrophobicContact CG-CB 3.8Å; F183-E296 HydrophobicContact CG-CG 4.49Å; T294-E296 VanDerWaalsContact C-N 3.32Å; T294-E296 WeakPolarHBondContact CG2-O 3.36Å; T294-E296 PolarHBondContact O-N 2.9Å
297	K	90.6	Very high	89.8	Confident	109 Å²	109	89.9 Å²	89.9	47%	0.474	44%	0.435	S	S	.	.			trans	-139.2	130	177	-173.8	179.8	70.8	163.6	0	108.3	V175 Y179	V175-K297 HydrophobicContact CG1-CD 4.38Å; V175-K297 HydrophobicContact CG1-CG 4.29Å; Y179-K297 HydrophobicContact CD2-CB 4.41Å; Y179-K297 HydrophobicContact CD2-CG 3.81Å; Y179-K297 HydrophobicContact CE2-CG 4.37Å
298	K	92.4	Very high	90.6	Very high	123 Å²	123	80.1 Å²	80.1	54%	0.535	39%	0.393	S	S	.	.			trans	-104.1	134.2	168.6	-58	-175.9	179	-179	0	108.7	Y179 T201	Y179-K298 HydrophobicContact CE2-CB 4.45Å; Y179-K298 VanDerWaalsContact CE2-O 3.25Å; Y179-K298 WeakPolarHBondContact CE2-O 3.37Å; T201-K298 HydrophobicContact CG2-CD 4.06Å
299	P	94	Very high	91.4	Very high	108 Å²	108	79.2 Å²	79.2	70%	0.701	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-63.8	140.2	172.9	27.5	-32.5	0	0	0	109.4
300	P	96.5	Very high	92.4	Very high	33 Å²	33	85.1 Å²	85.1	21%	0.214	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-67.7	151.1	176.1	31.2	-36.1	0	0	0	110.6	V175 F202 I305	V175-P300 HydrophobicContact CG2-CB 4.39Å; V175-P300 HydrophobicContact CG2-CG 4.1Å; F202-P300 HydrophobicContact CD1-CB 4.04Å; F202-P300 HydrophobicContact CE1-CB 4.39Å; P300-I305 HydrophobicContact CB-CD1 4.45Å; P300-I305 HydrophobicContact CB-CG1 4.14Å; P300-I305 HydrophobicContact CG-CD1 3.89Å; P300-I305 HydrophobicContact CG-CG1 3.88Å
301	T	97.8	Very high	93.2	Very high	65 Å²	65	80.6 Å²	80.6	40%	0.399	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-70	156.4	172.4	62.2	0	0	0	0	111.5	D203 E303 S304 I305	D203-T301 HydrophobicContact CB-CG2 4.45Å; D203-T301 VanDerWaalsContact OD1-CB 3.3Å; D203-T301 WeakPolarHBondContact OD1-CB 3.2Å; D203-T301 WeakPolarHBondContact OD1-CG2 3.32Å; D203-T301 PolarHBondContact OD1-N 3.41Å; D203-T301 PolarHBondContact OD1-OG1 2.95Å; T301-E303 PolarHBondContact O-N 3.25Å; T301-S304 PolarHBondContact O-N 2.87Å; T301-S304 PolarHBondContact OG1-N 3.49Å; T301-S304 PolarHBondContact OG1-OG 3.04Å; T301-I305 WeakPolarHBondContact O-CG1 3.49Å; T301-I305 PolarHBondContact O-N 2.94Å
302	K	97.8	Very high	93.9	Very high	191 Å²	191	82 Å²	82	83%	0.83	41%	0.413	S	S	*	.	H	α-helix	trans	-58	-34	173.9	-68.4	-176.3	178.3	-177.5	0	112.3	A306	K302-A306 VanDerWaalsContact O-CB 3.29Å; K302-A306 WeakPolarHBondContact O-CB 3.29Å; K302-A306 PolarHBondContact O-N 3.42Å
303	E	97.7	Very high	94.6	Very high	150 Å²	150	80 Å²	80	70%	0.701	41%	0.407	S	S	*	.	H	α-helix	trans	-66.3	-48.4	177.5	-173.1	-176.9	171.6	0	0	111.6	T301 I305 A306 K307	T301-E303 PolarHBondContact O-N 3.25Å; E303-I305 VanDerWaalsContact C-N 3.33Å; E303-I305 PolarHBondContact O-N 3.27Å; E303-A306 PolarHBondContact O-N 2.88Å; E303-K307 WeakPolarHBondContact O-CB 3.32Å; E303-K307 PolarHBondContact O-N 3Å
304	S	97.8	Very high	95.2	Very high	3 Å²	3	73.7 Å²	73.7	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-41.3	176.2	-67.1	0	0	0	0	112.3	D203 T301 K307 L308	D203-S304 WeakPolarHBondContact CA-OG 3.37Å; D203-S304 WeakPolarHBondContact OD1-CB 3.44Å; D203-S304 PolarHBondContact OD1-OG 3.15Å; T301-S304 PolarHBondContact O-N 2.87Å; T301-S304 PolarHBondContact OG1-N 3.49Å; T301-S304 PolarHBondContact OG1-OG 3.04Å; S304-K307 PolarHBondContact O-N 3.14Å; S304-L308 WeakPolarHBondContact O-CG 3.38Å; S304-L308 PolarHBondContact O-N 3.48Å; S304-L308 VanDerWaalsContact O-N 3.08Å
305	I	98.4	Very high	96	Very high	48 Å²	48	78.4 Å²	78.4	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-54.3	174.6	-69.5	162.3	0	0	0	109.5	I171 P300 T301 E303 K307 L308 Q309	I171-I305 HydrophobicContact CD1-CG2 4.09Å; P300-I305 HydrophobicContact CB-CD1 4.45Å; P300-I305 HydrophobicContact CB-CG1 4.14Å; P300-I305 HydrophobicContact CG-CD1 3.89Å; P300-I305 HydrophobicContact CG-CG1 3.88Å; T301-I305 WeakPolarHBondContact O-CG1 3.49Å; T301-I305 PolarHBondContact O-N 2.94Å; E303-I305 VanDerWaalsContact C-N 3.33Å; E303-I305 PolarHBondContact O-N 3.27Å; I305-K307 PolarHBondContact O-N 3.02Å; I305-L308 PolarHBondContact O-N 2.94Å; I305-Q309 HydrophobicContact CG2-CG 4.05Å; I305-Q309 VanDerWaalsContact O-CG 3.25Å; I305-Q309 WeakPolarHBondContact O-CG 3.45Å; I305-Q309 PolarHBondContact O-N 3.35Å
306	A	98.1	Very high	96.8	Very high	42 Å²	42	76.3 Å²	76.3	35%	0.347	39%	0.385	S	S	.	.	H	α-helix	trans	-57.8	-37.9	-179	0	0	0	0	0	112.3	K302 E303 Q309 Q310	K302-A306 VanDerWaalsContact O-CB 3.29Å; K302-A306 WeakPolarHBondContact O-CB 3.29Å; K302-A306 PolarHBondContact O-N 3.42Å; E303-A306 PolarHBondContact O-N 2.88Å; A306-Q309 PolarHBondContact O-N 3.42Å; A306-Q310 WeakPolarHBondContact O-CG 3.4Å; A306-Q310 PolarHBondContact O-N 2.96Å
307	K	97.9	Very high	97.3	Very high	99 Å²	99	70.8 Å²	70.8	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-64.1	-43	175.7	-173.2	174.9	178.9	-174.8	0	112.2	V206 E303 S304 I305 Q309 Q310	V206-K307 HydrophobicContact CG1-CB 4.39Å; V206-K307 HydrophobicContact CG1-CD 3.82Å; V206-K307 HydrophobicContact CG1-CG 4.39Å; V206-K307 PolarHBondContact O-NZ 3.05Å; E303-K307 WeakPolarHBondContact O-CB 3.32Å; E303-K307 PolarHBondContact O-N 3Å; S304-K307 PolarHBondContact O-N 3.14Å; I305-K307 PolarHBondContact O-N 3.02Å; K307-Q309 VanDerWaalsContact C-N 3.35Å; K307-Q310 PolarHBondContact O-N 3.32Å
308	L	98.1	Very high	97.7	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-37.7	175.3	-71.1	173	0	0	0	111.7	I171 F202 V206 P215 S304 I305 Q310 S311 W314	I171-L308 HydrophobicContact CD1-CB 4.16Å; I171-L308 HydrophobicContact CD1-CD1 4.49Å; I171-L308 HydrophobicContact CG1-CD1 4.44Å; I171-L308 HydrophobicContact CG2-CD1 4.3Å; F202-L308 HydrophobicContact CE1-CD1 3.84Å; F202-L308 HydrophobicContact CZ-CD1 3.82Å; V206-L308 HydrophobicContact CG2-CD1 4.39Å; P215-L308 HydrophobicContact CG-CD2 4.28Å; S304-L308 WeakPolarHBondContact O-CG 3.38Å; S304-L308 PolarHBondContact O-N 3.48Å; S304-L308 VanDerWaalsContact O-N 3.08Å; I305-L308 PolarHBondContact O-N 2.94Å; L308-Q310 PolarHBondContact O-N 2.87Å; L308-S311 VanDerWaalsContact O-CB 3.31Å; L308-S311 WeakPolarHBondContact O-CB 3.43Å; L308-S311 PolarHBondContact O-N 3.22Å; L308-W314 VanDerWaalsContact O-CB 3.27Å; L308-W314 WeakPolarHBondContact O-CB 3.47Å
309	Q	98.4	Very high	98	Very high	78 Å²	78	64.1 Å²	64.1	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-19.2	180	-70.8	179	-34.1	0	0	114.2	I171 I305 A306 K307 S311 W314	I171-Q309 HydrophobicContact CD1-CG 4.17Å; I305-Q309 HydrophobicContact CG2-CG 4.05Å; I305-Q309 VanDerWaalsContact O-CG 3.25Å; I305-Q309 WeakPolarHBondContact O-CG 3.45Å; I305-Q309 PolarHBondContact O-N 3.35Å; A306-Q309 PolarHBondContact O-N 3.42Å; K307-Q309 VanDerWaalsContact C-N 3.35Å; Q309-S311 VanDerWaalsContact C-N 3.28Å; Q309-S311 PolarHBondContact O-N 3.1Å; Q309-W314 HydrophobicContact CB-CD2 4.04Å; Q309-W314 HydrophobicContact CB-CE3 3.8Å; Q309-W314 HydrophobicContact CB-CH2 4.12Å; Q309-W314 HydrophobicContact CB-CZ2 4.36Å; Q309-W314 HydrophobicContact CB-CZ3 3.83Å; Q309-W314 HydrophobicContact CG-CD2 3.81Å; Q309-W314 HydrophobicContact CG-CE3 4.02Å; Q309-W314 HydrophobicContact CG-CG 4.5Å; Q309-W314 HydrophobicContact CG-CH2 3.8Å; Q309-W314 HydrophobicContact CG-CZ2 3.6Å; Q309-W314 HydrophobicContact CG-CZ3 4Å
310	Q	97.9	Very high	98.3	Very high	145 Å²	145	59 Å²	59	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.1	173.7	-69.3	166.2	18.7	0	0	112.6	A306 K307 L308	A306-Q310 WeakPolarHBondContact O-CG 3.4Å; A306-Q310 PolarHBondContact O-N 2.96Å; K307-Q310 PolarHBondContact O-N 3.32Å; L308-Q310 PolarHBondContact O-N 2.87Å
311	S	98.3	Very high	98.4	Very high	25 Å²	25	58.3 Å²	58.3	18%	0.175	29%	0.294	C	S	.	.	S	Bend	trans	-70.4	138.8	-177.6	-179.9	0	0	0	0	112.6	P215 L308 Q309 I313 W314 K315	P215-S311 VanDerWaalsContact CB-OG 3.28Å; P215-S311 WeakPolarHBondContact CB-OG 3.5Å; L308-S311 VanDerWaalsContact O-CB 3.31Å; L308-S311 WeakPolarHBondContact O-CB 3.43Å; L308-S311 PolarHBondContact O-N 3.22Å; Q309-S311 VanDerWaalsContact C-N 3.28Å; Q309-S311 PolarHBondContact O-N 3.1Å; S311-I313 PolarHBondContact O-N 3.26Å; S311-I313 PolarHBondContact OG-N 2.87Å; S311-I313 VanDerWaalsContact OG-N 3.17Å; S311-W314 PolarHBondContact O-N 3.33Å; S311-K315 WeakPolarHBondContact O-CG 3.43Å; S311-K315 PolarHBondContact O-N 2.82Å; S311-K315 VanDerWaalsContact O-N 3.16Å
312	A	98.4	Very high	98.4	Very high	62 Å²	62	59.4 Å²	59.4	51%	0.512	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-33.1	170.4	0	0	0	0	0	112.5	K315 M316	A312-K315 PolarHBondContact O-N 3.43Å; A312-M316 WeakPolarHBondContact O-CG 3.49Å; A312-M316 PolarHBondContact O-N 2.7Å
313	I	98.6	Very high	98.5	Very high	18 Å²	18	53 Å²	53	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-66.3	-42.4	179.6	-51.1	-51.4	0	0	0	111	P215 L218 W219 V235 S311 E317	P215-I313 WeakPolarHBondContact O-CG2 3.4Å; L218-I313 HydrophobicContact CB-CG2 4.27Å; W219-I313 HydrophobicContact CB-CG2 3.89Å; W219-I313 HydrophobicContact CE3-CG2 4Å; V235-I313 HydrophobicContact CG1-CD1 3.61Å; V235-I313 HydrophobicContact CG1-CG1 4.05Å; V235-I313 HydrophobicContact CG1-CG2 4.33Å; S311-I313 PolarHBondContact O-N 3.26Å; S311-I313 PolarHBondContact OG-N 2.87Å; S311-I313 VanDerWaalsContact OG-N 3.17Å; I313-E317 PolarHBondContact O-N 3.48Å
314	W	98.8	Very high	98.5	Very high	36 Å²	36	45.9 Å²	45.9	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-47.2	173.8	173.3	77.6	0	0	0	110.8	L218 L308 Q309 S311 M316 E317 N318	L218-W314 HydrophobicContact CD1-CB 3.63Å; L218-W314 HydrophobicContact CD1-CG 4.29Å; L308-W314 VanDerWaalsContact O-CB 3.27Å; L308-W314 WeakPolarHBondContact O-CB 3.47Å; Q309-W314 HydrophobicContact CB-CD2 4.04Å; Q309-W314 HydrophobicContact CB-CE3 3.8Å; Q309-W314 HydrophobicContact CB-CH2 4.12Å; Q309-W314 HydrophobicContact CB-CZ2 4.36Å; Q309-W314 HydrophobicContact CB-CZ3 3.83Å; Q309-W314 HydrophobicContact CG-CD2 3.81Å; Q309-W314 HydrophobicContact CG-CE3 4.02Å; Q309-W314 HydrophobicContact CG-CG 4.5Å; Q309-W314 HydrophobicContact CG-CH2 3.8Å; Q309-W314 HydrophobicContact CG-CZ2 3.6Å; Q309-W314 HydrophobicContact CG-CZ3 4Å; S311-W314 PolarHBondContact O-N 3.33Å; W314-M316 VanDerWaalsContact C-N 3.26Å; W314-M316 PolarHBondContact O-N 3.47Å; W314-E317 PolarHBondContact O-N 2.91Å; W314-N318 HydrophobicContact CD2-CB 4.25Å; W314-N318 HydrophobicContact CH2-CB 4.36Å; W314-N318 HydrophobicContact CZ2-CB 3.83Å; W314-N318 VanDerWaalsContact CZ2-CG 3.49Å; W314-N318 WeakPolarHBondContact CZ2-OD1 3.41Å; W314-N318 WeakPolarHBondContact O-CB 3.43Å; W314-N318 PolarHBondContact O-N 3.04Å
315	K	98.9	Very high	98.6	Very high	120 Å²	120	46.9 Å²	46.9	52%	0.522	24%	0.239	S	C	.	.	H	α-helix	trans	-56.1	-43.2	-178.8	-67.4	174.5	-175.3	174.4	0	111.6	S311 A312 D319	S311-K315 WeakPolarHBondContact O-CG 3.43Å; S311-K315 PolarHBondContact O-N 2.82Å; S311-K315 VanDerWaalsContact O-N 3.16Å; A312-K315 PolarHBondContact O-N 3.43Å; K315-D319 VanDerWaalsContact O-CB 3.27Å; K315-D319 WeakPolarHBondContact O-CB 3.19Å; K315-D319 PolarHBondContact O-N 2.96Å
316	M	98.9	Very high	98.6	Very high	26 Å²	26	51.3 Å²	51.3	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-49.3	177.9	-70.6	174.4	149.6	0	0	112.9	W219 I222 G236 Q238 L241 A312 W314 N318 D319 F320	W219-M316 HydrophobicContact CH2-SD 4.36Å; W219-M316 HydrophobicContact CZ3-CB 3.92Å; W219-M316 HydrophobicContact CZ3-SD 3.98Å; I222-M316 HydrophobicContact CD1-CB 4.09Å; G236-M316 WeakPolarHBondContact O-CE 3.23Å; Q238-M316 HydrophobicContact CB-CE 4.11Å; L241-M316 HydrophobicContact CD2-CB 4.06Å; L241-M316 HydrophobicContact CD2-CG 4.01Å; A312-M316 WeakPolarHBondContact O-CG 3.49Å; A312-M316 PolarHBondContact O-N 2.7Å; W314-M316 VanDerWaalsContact C-N 3.26Å; W314-M316 PolarHBondContact O-N 3.47Å; M316-N318 VanDerWaalsContact C-N 3.26Å; M316-N318 PolarHBondContact O-N 3.46Å; M316-D319 PolarHBondContact O-N 3.06Å; M316-F320 PolarHBondContact O-N 2.88Å
317	E	98.8	Very high	98.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-34.6	177.4	-86.2	-79.6	171.3	0	0	112.1	P170 L218 W219 L220 Q221 I222 I313 W314 Y321	P170-E317 HydrophobicContact CB-CB 3.93Å; P170-E317 HydrophobicContact CG-CB 3.76Å; P170-E317 WeakPolarHBondContact CG-O 3.5Å; L218-E317 HydrophobicContact CB-CG 4.46Å; W219-E317 WeakPolarHBondContact CA-OE1 3.47Å; W219-E317 HydrophobicContact CE3-CG 4.27Å; L220-E317 PolarHBondContact N-OE1 2.7Å; Q221-E317 VanDerWaalsContact CB-OE2 3.31Å; Q221-E317 WeakPolarHBondContact CB-OE2 3.35Å; Q221-E317 PolarHBondContact N-OE1 2.87Å; Q221-E317 PolarHBondContact NE2-OE2 3.49Å; I222-E317 HydrophobicContact CD1-CG 4.02Å; I222-E317 HydrophobicContact CG1-CG 4.5Å; I222-E317 PolarHBondContact N-OE1 3.43Å; I222-E317 VanDerWaalsContact N-OE1 3.08Å; I313-E317 PolarHBondContact O-N 3.48Å; W314-E317 PolarHBondContact O-N 2.91Å; E317-Y321 WeakPolarHBondContact O-CB 3.5Å; E317-Y321 PolarHBondContact O-N 3.1Å
318	N	98.9	Very high	98.7	Very high	28 Å²	28	48 Å²	48	15%	0.15	24%	0.237	C	C	.	.	H	α-helix	trans	-70.5	-43.8	175.5	-163.1	90.5	0	0	0	111.4	W314 M316 F320 Y321 E322	W314-N318 HydrophobicContact CD2-CB 4.25Å; W314-N318 HydrophobicContact CH2-CB 4.36Å; W314-N318 HydrophobicContact CZ2-CB 3.83Å; W314-N318 VanDerWaalsContact CZ2-CG 3.49Å; W314-N318 WeakPolarHBondContact CZ2-OD1 3.41Å; W314-N318 WeakPolarHBondContact O-CB 3.43Å; W314-N318 PolarHBondContact O-N 3.04Å; M316-N318 VanDerWaalsContact C-N 3.26Å; M316-N318 PolarHBondContact O-N 3.46Å; N318-F320 VanDerWaalsContact C-N 3.3Å; N318-F320 PolarHBondContact O-N 3.35Å; N318-Y321 PolarHBondContact O-N 3.04Å; N318-Y321 VanDerWaalsContact O-N 3.11Å; N318-E322 WeakPolarHBondContact ND2-CG 3.49Å; N318-E322 WeakPolarHBondContact O-CG 3.41Å; N318-E322 PolarHBondContact O-N 2.96Å
319	D	98.9	Very high	98.6	Very high	64 Å²	64	51.1 Å²	51.1	34%	0.342	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-43.8	174.1	177.2	20.3	0	0	0	111.3	K245 K315 M316 Y321 F323	K245-D319 IonicContact NZ-OD1 3.29Å; K245-D319 PolarHBondContact NZ-OD1 2.98Å; K245-D319 IonicContact NZ-OD2 3.89Å; K245-D319 PolarHBondContact NZ-OD2 3.35Å; K315-D319 VanDerWaalsContact O-CB 3.27Å; K315-D319 WeakPolarHBondContact O-CB 3.19Å; K315-D319 PolarHBondContact O-N 2.96Å; M316-D319 PolarHBondContact O-N 3.06Å; D319-Y321 PolarHBondContact O-N 3.5Å; D319-F323 VanDerWaalsContact O-CB 3.23Å; D319-F323 WeakPolarHBondContact O-CB 3.35Å; D319-F323 PolarHBondContact O-N 3.4Å
320	F	98.9	Very high	98.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-41.8	173.2	-178	-109.8	0	0	0	113.2	I167 Q221 I222 F225 L241 A244 K245 L248 M316 N318 A324	I167-F320 HydrophobicContact CD1-CE1 4.42Å; Q221-F320 HydrophobicContact CB-CD1 4.24Å; Q221-F320 HydrophobicContact CB-CE1 4.22Å; I222-F320 HydrophobicContact CD1-CB 4.16Å; I222-F320 HydrophobicContact CG1-CB 3.74Å; I222-F320 HydrophobicContact CG1-CD1 4.1Å; I222-F320 HydrophobicContact CG1-CG 3.86Å; F225-F320 HydrophobicContact CB-CE2 4.38Å; F225-F320 HydrophobicContact CB-CZ 3.78Å; F225-F320 HydrophobicContact CD1-CZ 4.01Å; F225-F320 AromaticContact CD2-CE1 3.67Å; F225-F320 HydrophobicContact CD2-CE1 3.67Å; F225-F320 AromaticContact CD2-CZ 3.53Å; F225-F320 HydrophobicContact CD2-CZ 3.53Å; F225-F320 HydrophobicContact CE1-CZ 4.47Å; F225-F320 AromaticContact CE2-CE1 4Å; F225-F320 HydrophobicContact CE2-CE1 4Å; F225-F320 HydrophobicContact CE2-CZ 4.03Å; F225-F320 HydrophobicContact CG-CE1 4.13Å; F225-F320 HydrophobicContact CG-CE2 4.45Å; F225-F320 AromaticContact CG-CZ 3.49Å; F225-F320 HydrophobicContact CG-CZ 3.49Å; F225-F320 VanDerWaalsContact CG-CZ 3.49Å; F225-F320 HydrophobicContact CZ-CZ 4.43Å; L241-F320 HydrophobicContact CD1-CB 3.73Å; L241-F320 HydrophobicContact CD1-CD2 4.48Å; A244-F320 HydrophobicContact CB-CD2 4Å; A244-F320 HydrophobicContact CB-CE2 3.74Å; A244-F320 HydrophobicContact CB-CZ 4.32Å; K245-F320 HydrophobicContact CG-CD2 3.99Å; L248-F320 HydrophobicContact CB-CE2 4.39Å; L248-F320 HydrophobicContact CD1-CE2 3.94Å; L248-F320 HydrophobicContact CD1-CZ 3.77Å; M316-F320 PolarHBondContact O-N 2.88Å; N318-F320 VanDerWaalsContact C-N 3.3Å; N318-F320 PolarHBondContact O-N 3.35Å; F320-A324 WeakPolarHBondContact O-CB 3.48Å; F320-A324 PolarHBondContact O-N 2.85Å; F320-A324 VanDerWaalsContact O-N 3.07Å
321	Y	98.9	Very high	98.5	Very high	20 Å²	20	48.4 Å²	48.4	8%	0.078	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-49.3	177.8	171.3	-99.2	0	0	0	112.4	I167 R168 V257 E317 N318 D319 F323 A324 L325	I167-Y321 HydrophobicContact CD1-CD2 3.83Å; I167-Y321 HydrophobicContact CG1-CD2 4.14Å; R168-Y321 WeakPolarHBondContact O-CD2 3.21Å; V257-Y321 HydrophobicContact CB-CE2 4.18Å; V257-Y321 HydrophobicContact CG1-CD2 4.42Å; V257-Y321 HydrophobicContact CG1-CE2 3.68Å; E317-Y321 WeakPolarHBondContact O-CB 3.5Å; E317-Y321 PolarHBondContact O-N 3.1Å; N318-Y321 PolarHBondContact O-N 3.04Å; N318-Y321 VanDerWaalsContact O-N 3.11Å; D319-Y321 PolarHBondContact O-N 3.5Å; Y321-F323 VanDerWaalsContact C-N 3.34Å; Y321-F323 PolarHBondContact O-N 3.17Å; Y321-A324 PolarHBondContact O-N 3.15Å; Y321-L325 HydrophobicContact CE1-CD2 4.22Å; Y321-L325 WeakPolarHBondContact O-CB 3.36Å; Y321-L325 PolarHBondContact O-N 3.29Å
322	E	98.9	Very high	98.4	Very high	88 Å²	88	49.9 Å²	49.9	41%	0.411	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-41.9	178.5	-66.3	-61.7	156.1	0	0	111.1	N318 A324 L325 E326	N318-E322 WeakPolarHBondContact ND2-CG 3.49Å; N318-E322 WeakPolarHBondContact O-CG 3.41Å; N318-E322 PolarHBondContact O-N 2.96Å; E322-A324 VanDerWaalsContact C-N 3.35Å; E322-A324 PolarHBondContact O-N 2.91Å; E322-L325 PolarHBondContact O-N 3.02Å; E322-E326 WeakPolarHBondContact O-CB 3.3Å; E322-E326 PolarHBondContact O-N 2.85Å
323	F	98.9	Very high	98.2	Very high	55 Å²	55	50.2 Å²	50.2	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-45.9	174.6	174.6	-98.2	0	0	0	112.4	K245 L248 V249 D319 Y321 Q327	K245-F323 HydrophobicContact CB-CD1 4.08Å; K245-F323 HydrophobicContact CB-CE1 3.74Å; K245-F323 HydrophobicContact CB-CZ 4.09Å; K245-F323 HydrophobicContact CD-CD1 4.25Å; K245-F323 HydrophobicContact CD-CD2 4.26Å; K245-F323 HydrophobicContact CD-CG 4.08Å; K245-F323 HydrophobicContact CG-CD1 3.7Å; K245-F323 HydrophobicContact CG-CE1 3.91Å; K245-F323 HydrophobicContact CG-CG 4.04Å; K245-F323 HydrophobicContact CG-CZ 4.43Å; L248-F323 HydrophobicContact CD2-CD1 4.5Å; L248-F323 HydrophobicContact CD2-CE1 4.01Å; V249-F323 HydrophobicContact CG2-CE1 3.9Å; V249-F323 HydrophobicContact CG2-CZ 3.59Å; D319-F323 VanDerWaalsContact O-CB 3.23Å; D319-F323 WeakPolarHBondContact O-CB 3.35Å; D319-F323 PolarHBondContact O-N 3.4Å; Y321-F323 VanDerWaalsContact C-N 3.34Å; Y321-F323 PolarHBondContact O-N 3.17Å; F323-Q327 WeakPolarHBondContact O-CB 3.4Å; F323-Q327 PolarHBondContact O-N 3.45Å
324	A	98.8	Very high	97.9	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-36	178.1	0	0	0	0	0	112.6	I167 L248 F320 Y321 E322 F328	I167-A324 HydrophobicContact CD1-CB 3.35Å; I167-A324 HydrophobicContact CG1-CB 4.41Å; L248-A324 HydrophobicContact CD1-CB 3.53Å; F320-A324 WeakPolarHBondContact O-CB 3.48Å; F320-A324 PolarHBondContact O-N 2.85Å; F320-A324 VanDerWaalsContact O-N 3.07Å; Y321-A324 PolarHBondContact O-N 3.15Å; E322-A324 VanDerWaalsContact C-N 3.35Å; E322-A324 PolarHBondContact O-N 2.91Å; A324-F328 WeakPolarHBondContact O-CB 3.28Å; A324-F328 PolarHBondContact O-N 2.88Å
325	L	98.8	Very high	97.5	Very high	23 Å²	23	54.6 Å²	54.6	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-49.5	174.8	176.8	61.5	0	0	0	111	V257 Y321 E322 Q327 F328 Q329	V257-L325 HydrophobicContact CB-CD1 4.42Å; V257-L325 HydrophobicContact CG1-CB 4.19Å; V257-L325 HydrophobicContact CG1-CD1 3.91Å; V257-L325 HydrophobicContact CG2-CD1 3.71Å; Y321-L325 HydrophobicContact CE1-CD2 4.22Å; Y321-L325 WeakPolarHBondContact O-CB 3.36Å; Y321-L325 PolarHBondContact O-N 3.29Å; E322-L325 PolarHBondContact O-N 3.02Å; L325-Q327 VanDerWaalsContact C-N 3.32Å; L325-Q327 PolarHBondContact O-N 3.03Å; L325-F328 PolarHBondContact O-N 3.29Å; L325-Q329 HydrophobicContact CD1-CG 4.07Å; L325-Q329 HydrophobicContact CG-CG 4.49Å; L325-Q329 WeakPolarHBondContact O-CB 3.47Å; L325-Q329 WeakPolarHBondContact O-CG 3.47Å; L325-Q329 PolarHBondContact O-N 2.95Å
326	E	98.8	Very high	96.9	Very high	141 Å²	141	49.6 Å²	49.6	66%	0.659	25%	0.25	S	C	*	.	H	α-helix	trans	-57.8	-46.4	176.6	-175.6	179.9	-177.7	0	0	110.7	E322 F328 Q329 F330	E322-E326 WeakPolarHBondContact O-CB 3.3Å; E322-E326 PolarHBondContact O-N 2.85Å; E326-F328 PolarHBondContact O-N 2.94Å; E326-Q329 PolarHBondContact O-N 3.44Å; E326-F330 WeakPolarHBondContact O-CB 3.37Å; E326-F330 PolarHBondContact O-N 3.39Å
327	Q	98.6	Very high	96.3	Very high	70 Å²	70	56.7 Å²	56.7	33%	0.327	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-45.1	175.5	-179.1	60	33.7	0	0	111.9	L248 F323 L325 F330 V331	L248-Q327 HydrophobicContact CD2-CB 4.44Å; L248-Q327 HydrophobicContact CD2-CG 4.12Å; F323-Q327 WeakPolarHBondContact O-CB 3.4Å; F323-Q327 PolarHBondContact O-N 3.45Å; L325-Q327 VanDerWaalsContact C-N 3.32Å; L325-Q327 PolarHBondContact O-N 3.03Å; Q327-F330 PolarHBondContact O-N 3.38Å; Q327-V331 WeakPolarHBondContact O-CG2 3.41Å; Q327-V331 PolarHBondContact O-N 3.37Å
328	F	98.4	Very high	95.5	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-47.7	178.8	178.7	-109.9	0	0	0	111.8	L254 V255 E260 D263 F264 M267 A324 L325 E326 F330 V331 R332	L254-F328 HydrophobicContact CD1-CD2 3.99Å; L254-F328 HydrophobicContact CD1-CE2 4.24Å; L254-F328 HydrophobicContact CD2-CE2 4.41Å; L254-F328 HydrophobicContact CG-CD2 4.47Å; L254-F328 HydrophobicContact CG-CE2 4.46Å; V255-F328 WeakPolarHBondContact O-CB 3.35Å; V255-F328 WeakPolarHBondContact O-CD2 3.49Å; E260-F328 HydrophobicContact CB-CD1 4.49Å; E260-F328 HydrophobicContact CB-CE1 3.8Å; E260-F328 WeakPolarHBondContact OE2-CE1 3.38Å; D263-F328 HydrophobicContact CB-CE1 4.33Å; D263-F328 HydrophobicContact CB-CZ 4.03Å; F264-F328 HydrophobicContact CB-CE2 4.07Å; F264-F328 HydrophobicContact CB-CZ 3.94Å; F264-F328 HydrophobicContact CD2-CE2 4.02Å; M267-F328 HydrophobicContact CE-CE2 4.4Å; M267-F328 HydrophobicContact SD-CE2 3.7Å; M267-F328 HydrophobicContact SD-CZ 3.91Å; A324-F328 WeakPolarHBondContact O-CB 3.28Å; A324-F328 PolarHBondContact O-N 2.88Å; L325-F328 PolarHBondContact O-N 3.29Å; E326-F328 PolarHBondContact O-N 2.94Å; F328-F330 VanDerWaalsContact C-N 3.31Å; F328-F330 PolarHBondContact O-N 3.45Å; F328-V331 PolarHBondContact O-N 2.91Å; F328-R332 PolarHBondContact O-N 2.95Å
329	Q	97.5	Very high	94.7	Very high	72 Å²	72	67.7 Å²	67.7	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-37	179.1	-70.5	-179.7	-13.8	0	0	111.8	E260 L325 E326 R332 A333	E260-Q329 PolarHBondContact OE1-NE2 2.59Å; L325-Q329 HydrophobicContact CD1-CG 4.07Å; L325-Q329 HydrophobicContact CG-CG 4.49Å; L325-Q329 WeakPolarHBondContact O-CB 3.47Å; L325-Q329 WeakPolarHBondContact O-CG 3.47Å; L325-Q329 PolarHBondContact O-N 2.95Å; E326-Q329 PolarHBondContact O-N 3.44Å; Q329-R332 PolarHBondContact O-N 3.41Å; Q329-A333 WeakPolarHBondContact O-CB 3.35Å; Q329-A333 PolarHBondContact O-N 2.96Å
330	F	98	Very high	93.8	Very high	116 Å²	116	71.6 Å²	71.6	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-49.9	172.2	177.1	-90.3	0	0	0	111.4	E326 Q327 F328 R332 A333 H334	E326-F330 WeakPolarHBondContact O-CB 3.37Å; E326-F330 PolarHBondContact O-N 3.39Å; Q327-F330 PolarHBondContact O-N 3.38Å; F328-F330 VanDerWaalsContact C-N 3.31Å; F328-F330 PolarHBondContact O-N 3.45Å; F330-R332 VanDerWaalsContact C-N 3.34Å; F330-R332 PolarHBondContact O-N 2.85Å; F330-A333 PolarHBondContact O-N 3.32Å; F330-H334 AromaticContact CD2-CE1 3.63Å; F330-H334 AromaticContact CD2-ND1 3.88Å; F330-H334 AromaticContact CE1-ND1 3.96Å; F330-H334 AromaticContact CE2-CE1 3.2Å; F330-H334 WeakPolarHBondContact CE2-CE1 3.37Å; F330-H334 AromaticContact CE2-ND1 3.73Å; F330-H334 AromaticContact CE2-NE2 3.97Å; F330-H334 AromaticContact CZ-CE1 3.51Å; F330-H334 AromaticContact CZ-ND1 3.76Å; F330-H334 PolarHBondContact O-N 2.89Å; F330-H334 PolarHBondContact O-ND1 2.97Å
331	V	96.6	Very high	92.6	Very high	49 Å²	49	74.2 Å²	74.2	30%	0.297	37%	0.372	S	S	.	.	H	α-helix	trans	-63.3	-42.2	178.8	-178.4	0	0	0	0	110.5	L254 M267 Q327 F328 H334 A335	L254-V331 HydrophobicContact CD1-CB 4.5Å; L254-V331 HydrophobicContact CD1-CG1 4.18Å; M267-V331 HydrophobicContact CE-CB 3.96Å; M267-V331 HydrophobicContact CE-CG1 3.41Å; M267-V331 VanDerWaalsContact CE-CG1 3.41Å; Q327-V331 WeakPolarHBondContact O-CG2 3.41Å; Q327-V331 PolarHBondContact O-N 3.37Å; F328-V331 PolarHBondContact O-N 2.91Å; V331-H334 PolarHBondContact O-N 3.49Å; V331-A335 VanDerWaalsContact O-CB 3.22Å; V331-A335 WeakPolarHBondContact O-CB 3.29Å; V331-A335 PolarHBondContact O-N 3.33Å
332	R	94.7	Very high	91.6	Very high	57 Å²	57	77.8 Å²	77.8	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-57.3	-52.8	175.4	-175	-175.9	65.6	-165.5	-12.2	110.8	E260 D263 M267 F328 Q329 F330 H334 A335 V336	E260-R332 IonicContact OE2-CZ 3.13Å; E260-R332 VanDerWaalsContact OE2-CZ 3.31Å; E260-R332 IonicContact OE2-NH1 3.49Å; E260-R332 PolarHBondContact OE2-NH1 3.43Å; E260-R332 IonicContact OE2-NH2 3.59Å; D263-R332 WeakPolarHBondContact OD2-CD 3.43Å; D263-R332 IonicContact OD2-CZ 3.25Å; D263-R332 IonicContact OD2-NE 3.35Å; D263-R332 IonicContact OD2-NH1 2.72Å; D263-R332 PolarHBondContact OD2-NH1 3.49Å; M267-R332 HydrophobicContact CE-CB 4.29Å; M267-R332 HydrophobicContact SD-CB 3.8Å; M267-R332 HydrophobicContact SD-CG 4.08Å; F328-R332 PolarHBondContact O-N 2.95Å; Q329-R332 PolarHBondContact O-N 3.41Å; F330-R332 VanDerWaalsContact C-N 3.34Å; F330-R332 PolarHBondContact O-N 2.85Å; R332-H334 PolarHBondContact O-N 3.45Å; R332-H334 VanDerWaalsContact O-N 3.08Å; R332-A335 PolarHBondContact O-N 2.88Å; R332-V336 HydrophobicContact CG-CG2 3.87Å; R332-V336 WeakPolarHBondContact O-CG2 3.49Å; R332-V336 PolarHBondContact O-N 3.48Å
333	A	93.7	Very high	90.6	Very high	68 Å²	68	75.7 Å²	75.7	56%	0.562	38%	0.381	S	S	*	.	H	α-helix	trans	-57.3	-27.6	-178.5	0	0	0	0	0	113.7	Q329 F330	Q329-A333 WeakPolarHBondContact O-CB 3.35Å; Q329-A333 PolarHBondContact O-N 2.96Å; F330-A333 PolarHBondContact O-N 3.32Å
334	H	93.6	Very high	89.8	Confident	124 Å²	124	79 Å²	79	57%	0.574	39%	0.393	S	S	*	.	H	α-helix	trans	-96.7	-4.1	177.4	-66.6	82.1	0	0	0	114.1	F330 V331 R332 L346	F330-H334 AromaticContact CD2-CE1 3.63Å; F330-H334 AromaticContact CD2-ND1 3.88Å; F330-H334 AromaticContact CE1-ND1 3.96Å; F330-H334 AromaticContact CE2-CE1 3.2Å; F330-H334 WeakPolarHBondContact CE2-CE1 3.37Å; F330-H334 AromaticContact CE2-ND1 3.73Å; F330-H334 AromaticContact CE2-NE2 3.97Å; F330-H334 AromaticContact CZ-CE1 3.51Å; F330-H334 AromaticContact CZ-ND1 3.76Å; F330-H334 PolarHBondContact O-N 2.89Å; F330-H334 PolarHBondContact O-ND1 2.97Å; V331-H334 PolarHBondContact O-N 3.49Å; R332-H334 PolarHBondContact O-N 3.45Å; R332-H334 VanDerWaalsContact O-N 3.08Å; H334-L346 WeakPolarHBondContact O-CD1 3.37Å
335	A	89.9	Confident	89.1	Confident	22 Å²	22	82.7 Å²	82.7	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-107	-27.3	-179.7	0	0	0	0	0	112.9	M267 V331 R332 M345 L346	M267-A335 HydrophobicContact CE-CB 4.26Å; V331-A335 VanDerWaalsContact O-CB 3.22Å; V331-A335 WeakPolarHBondContact O-CB 3.29Å; V331-A335 PolarHBondContact O-N 3.33Å; R332-A335 PolarHBondContact O-N 2.88Å; A335-M345 HydrophobicContact CB-CE 4.06Å; A335-M345 WeakPolarHBondContact O-CE 3.42Å; A335-L346 PolarHBondContact O-N 3.12Å
336	V	86.9	Confident	88.6	Confident	15 Å²	15	85 Å²	85	9%	0.091	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157	-174.7	-53.4	0	0	0	0	112.8	M266 R332 L343 Y344 M345	M266-V336 HydrophobicContact CE-CG1 3.79Å; R332-V336 HydrophobicContact CG-CG2 3.87Å; R332-V336 WeakPolarHBondContact O-CG2 3.49Å; R332-V336 PolarHBondContact O-N 3.48Å; V336-L343 HydrophobicContact CB-CB 4.42Å; V336-L343 HydrophobicContact CG2-CB 4.38Å; V336-L343 HydrophobicContact CG2-CD1 4.31Å; V336-L343 HydrophobicContact CG2-CD2 3.87Å; V336-L343 HydrophobicContact CG2-CG 4.42Å; V336-Y344 CarbonylContact C-O 3.47Å; V336-Y344 VanDerWaalsContact CA-O 3.25Å; V336-Y344 WeakPolarHBondContact CA-O 3.45Å; V336-Y344 WeakPolarHBondContact CB-O 3.46Å; V336-M345 HydrophobicContact CG1-SD 3.67Å
337	R	85.4	Confident	88.1	Confident	175 Å²	175	82 Å²	82	66%	0.66	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.7	166.6	178.6	178	179.3	176.4	2.8	108.6	Y344 L346	R337-Y344 PolarHBondContact N-O 2.98Å; R337-Y344 PolarHBondContact O-N 2.98Å; R337-L346 HydrophobicContact CB-CD2 3.77Å
338	E	82.3	Confident	87.7	Confident	137 Å²	137	85.5 Å²	85.5	64%	0.64	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.6	170.9	-166.9	-179.8	161.2	0	0	110.3	E342 L343	E338-E342 WeakPolarHBondContact CA-O 3.31Å; E338-L343 HydrophobicContact CB-CD2 3.95Å; E338-L343 HydrophobicContact CG-CD2 4.15Å
339	K	81.1	Confident	87.4	Confident	122 Å²	122	91.7 Å²	91.7	53%	0.53	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	125	171.4	-176.1	-172.7	173.2	-170.1	0	108.7	G341 E342 Y344	K339-G341 PolarHBondContact O-N 3.43Å; K339-E342 PolarHBondContact N-O 2.93Å; K339-E342 PolarHBondContact O-N 3.39Å; K339-Y344 HydrophobicContact CB-CD2 3.88Å; K339-Y344 HydrophobicContact CB-CE2 3.81Å
340	D	81.1	Confident	87.2	Confident	146 Å²	146	94 Å²	94	78%	0.781	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	30	-179.9	-53.1	-44.7	0	0	0	113.8	E342	D340-E342 VanDerWaalsContact C-N 3.27Å; D340-E342 PolarHBondContact O-N 3.17Å
341	G	74.6	Confident	87.1	Confident	56 Å²	56	96 Å²	96	58%	0.577	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-0.7	-177.9	0	0	0	0	0	115.1	K339	K339-G341 PolarHBondContact O-N 3.43Å
342	E	76.6	Confident	86.9	Confident	95 Å²	95	102.4 Å²	102.4	44%	0.444	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.5	172.6	-70.3	-77.4	159.3	0	0	110.5	K284 E338 K339 D340 Y344	K284-E342 IonicContact NZ-OE2 3.23Å; K284-E342 PolarHBondContact NZ-OE2 3.38Å; E338-E342 WeakPolarHBondContact CA-O 3.31Å; K339-E342 PolarHBondContact N-O 2.93Å; K339-E342 PolarHBondContact O-N 3.39Å; D340-E342 VanDerWaalsContact C-N 3.27Å; D340-E342 PolarHBondContact O-N 3.17Å; E342-Y344 HydrophobicContact CB-CE2 3.86Å; E342-Y344 WeakPolarHBondContact O-CD2 3.49Å
343	L	78.9	Confident	87	Confident	44 Å²	44	105.5 Å²	105.5	23%	0.23	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.1	177.8	-62.4	177.8	0	0	0	110.6	D263 M266 V336 E338	D263-L343 WeakPolarHBondContact OD1-CD1 3.35Å; M266-L343 HydrophobicContact CE-CB 3.68Å; M266-L343 HydrophobicContact CE-CD1 3.82Å; M266-L343 HydrophobicContact CE-CG 4.42Å; M266-L343 HydrophobicContact SD-CB 3.97Å; V336-L343 HydrophobicContact CB-CB 4.42Å; V336-L343 HydrophobicContact CG2-CB 4.38Å; V336-L343 HydrophobicContact CG2-CD1 4.31Å; V336-L343 HydrophobicContact CG2-CD2 3.87Å; V336-L343 HydrophobicContact CG2-CG 4.42Å; E338-L343 HydrophobicContact CB-CD2 3.95Å; E338-L343 HydrophobicContact CG-CD2 4.15Å
344	Y	82.1	Confident	86.9	Confident	125 Å²	125	109.9 Å²	109.9	49%	0.49	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.9	175.9	-63	-87.5	0	0	0	110.2	V336 R337 K339 E342 L346	V336-Y344 CarbonylContact C-O 3.47Å; V336-Y344 VanDerWaalsContact CA-O 3.25Å; V336-Y344 WeakPolarHBondContact CA-O 3.45Å; V336-Y344 WeakPolarHBondContact CB-O 3.46Å; R337-Y344 PolarHBondContact N-O 2.98Å; R337-Y344 PolarHBondContact O-N 2.98Å; K339-Y344 HydrophobicContact CB-CD2 3.88Å; K339-Y344 HydrophobicContact CB-CE2 3.81Å; E342-Y344 HydrophobicContact CB-CE2 3.86Å; E342-Y344 WeakPolarHBondContact O-CD2 3.49Å; Y344-L346 PolarHBondContact O-N 3.16Å
345	M	84.4	Confident	87	Confident	79 Å²	79	109.9 Å²	109.9	39%	0.389	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.9	174.8	-64.8	-63.8	-50.3	0	0	111.1	A270 A335 V336	A270-M345 HydrophobicContact CB-CB 4.49Å; A270-M345 HydrophobicContact CB-CE 3.36Å; A270-M345 HydrophobicContact CB-CG 3.55Å; A270-M345 HydrophobicContact CB-SD 3.53Å; A270-M345 VanDerWaalsContact CB-SD 3.53Å; A335-M345 HydrophobicContact CB-CE 4.06Å; A335-M345 WeakPolarHBondContact O-CE 3.42Å; V336-M345 HydrophobicContact CG1-SD 3.67Å
346	L	86.8	Confident	87	Confident	71 Å²	71	116 Å²	116	37%	0.372	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-64.6	141.8	172.7	-68.3	174.7	0	0	0	110.3	H334 A335 R337 Y344	H334-L346 WeakPolarHBondContact O-CD1 3.37Å; A335-L346 PolarHBondContact O-N 3.12Å; R337-L346 HydrophobicContact CB-CD2 3.77Å; Y344-L346 PolarHBondContact O-N 3.16Å
347	A	88.4	Confident	87	Confident	78 Å²	78	120.7 Å²	120.7	65%	0.645	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-67.2	166.3	170.9	0	0	0	0	0	110.9	N349	A347-N349 VanDerWaalsContact O-CG 3.29Å; A347-N349 PolarHBondContact O-N 3.09Å; A347-N349 VanDerWaalsContact O-N 3.13Å; A347-N349 PolarHBondContact O-OD1 3.18Å
348	Q	90.9	Very high	87	Confident	144 Å²	144	119.3 Å²	119.3	67%	0.673	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-58.1	119.5	174	-179.4	177.8	-28	0	0	110.3	F350	Q348-F350 HydrophobicContact CG-CD1 3.91Å; Q348-F350 HydrophobicContact CG-CE1 3.89Å; Q348-F350 WeakPolarHBondContact CG-O 3.36Å; Q348-F350 PolarHBondContact NE2-O 3.16Å
349	N	91	Very high	86.4	Confident	131 Å²	131	123.4 Å²	123.4	70%	0.701	61%	0.611	S	S	*	*			trans	-108.6	22.3	-176.2	-70.1	-27.2	0	0	0	113.1	A347	A347-N349 VanDerWaalsContact O-CG 3.29Å; A347-N349 PolarHBondContact O-N 3.09Å; A347-N349 VanDerWaalsContact O-N 3.13Å; A347-N349 PolarHBondContact O-OD1 3.18Å
350	F	93.8	Very high	86.6	Confident	121 Å²	121	123.5 Å²	123.5	53%	0.531	62%	0.615	S	S	.	*			trans	-139.2	148	173.6	75.7	-85.7	0	0	0	110.6	Q348 Y352	Q348-F350 HydrophobicContact CG-CD1 3.91Å; Q348-F350 HydrophobicContact CG-CE1 3.89Å; Q348-F350 WeakPolarHBondContact CG-O 3.36Å; Q348-F350 PolarHBondContact NE2-O 3.16Å; F350-Y352 HydrophobicContact CE2-CE2 4.05Å; F350-Y352 AromaticContact CE2-CZ 3.87Å
351	F	95.3	Very high	86.9	Confident	157 Å²	157	122.3 Å²	122.3	69%	0.689	61%	0.606	S	S	*	*			trans	-143.4	156.4	171.3	62.2	-86.9	0	0	0	109.3	E353	F351-E353 HydrophobicContact CD2-CB 4.34Å; F351-E353 HydrophobicContact CE2-CB 4.02Å; F351-E353 HydrophobicContact CE2-CG 4.29Å
352	Y	94.2	Very high	87.6	Confident	183 Å²	183	126 Å²	126	72%	0.718	61%	0.608	S	S	*	*			trans	-90.5	126.8	176.4	-55.3	-76.2	0	0	0	109.4	F350	F350-Y352 HydrophobicContact CE2-CE2 4.05Å; F350-Y352 AromaticContact CE2-CZ 3.87Å
353	E	95.1	Very high	88.2	Confident	122 Å²	122	127.8 Å²	127.8	57%	0.57	62%	0.617	S	S	*	*			trans	-122.4	167.5	171.7	58.2	163.4	-149.7	0	0	110.6	F351 I355	F351-E353 HydrophobicContact CD2-CB 4.34Å; F351-E353 HydrophobicContact CE2-CB 4.02Å; F351-E353 HydrophobicContact CE2-CG 4.29Å; E353-I355 VanDerWaalsContact C-N 3.3Å; E353-I355 PolarHBondContact O-N 2.86Å
354	K	93.4	Very high	88.8	Confident	161 Å²	161	133.1 Å²	133.1	70%	0.7	64%	0.641	S	S	*	*			trans	55.8	41.5	178.8	-56.3	173.6	-174.9	164.2	0	113.3	Y356	K354-Y356 HydrophobicContact CB-CD2 4.49Å; K354-Y356 HydrophobicContact CB-CE2 4.25Å; K354-Y356 VanDerWaalsContact O-CD2 3.26Å; K354-Y356 WeakPolarHBondContact O-CD2 3.49Å; K354-Y356 PolarHBondContact O-N 3.01Å
355	I	94.3	Very high	89.3	Confident	123 Å²	123	133.6 Å²	133.6	63%	0.631	65%	0.652	S	S	*	*			trans	-72.2	121.2	173	-54.8	174.9	0	0	0	108.6	E353	E353-I355 VanDerWaalsContact C-N 3.3Å; E353-I355 PolarHBondContact O-N 2.86Å
356	Y	90	Very high	89.6	Confident	152 Å²	152	137.5 Å²	137.5	60%	0.596	67%	0.67	S	S	*	*	S	Bend	trans	-136.5	153.7	178.1	-74.4	-85.3	0	0	0	110.6	K354 K358	K354-Y356 HydrophobicContact CB-CD2 4.49Å; K354-Y356 HydrophobicContact CB-CE2 4.25Å; K354-Y356 VanDerWaalsContact O-CD2 3.26Å; K354-Y356 WeakPolarHBondContact O-CD2 3.49Å; K354-Y356 PolarHBondContact O-N 3.01Å; Y356-K358 HydrophobicContact CD1-CB 4.3Å; Y356-K358 HydrophobicContact CD1-CD 4.21Å; Y356-K358 HydrophobicContact CD1-CG 3.74Å; Y356-K358 HydrophobicContact CE1-CB 4.36Å; Y356-K358 HydrophobicContact CE1-CD 3.54Å; Y356-K358 HydrophobicContact CE1-CG 3.62Å; Y356-K358 VanDerWaalsContact CZ-CE 3.49Å; Y356-K358 WeakPolarHBondContact OH-CE 3.41Å; Y356-K358 PolarHBondContact OH-NZ 3.05Å; Y356-K358 VanDerWaalsContact OH-NZ 3.12Å
357	P	86.4	Confident	89.8	Confident	112 Å²	112	142.6 Å²	142.6	73%	0.727	69%	0.693	S	S	*	*	S	Bend	cis	-68	142.1	0.5	28.8	-34	0	0	0	111.9	N359	P357-N359 PolarHBondContact O-N 3.11Å
358	K	86.4	Confident	90	Very high	146 Å²	146	148 Å²	148	64%	0.635	70%	0.697	S	S	*	*			trans	-76.8	112.3	165.2	-71	179.3	179.6	174.5	0	105.4	Y356	Y356-K358 HydrophobicContact CD1-CB 4.3Å; Y356-K358 HydrophobicContact CD1-CD 4.21Å; Y356-K358 HydrophobicContact CD1-CG 3.74Å; Y356-K358 HydrophobicContact CE1-CB 4.36Å; Y356-K358 HydrophobicContact CE1-CD 3.54Å; Y356-K358 HydrophobicContact CE1-CG 3.62Å; Y356-K358 VanDerWaalsContact CZ-CE 3.49Å; Y356-K358 WeakPolarHBondContact OH-CE 3.41Å; Y356-K358 PolarHBondContact OH-NZ 3.05Å; Y356-K358 VanDerWaalsContact OH-NZ 3.12Å
359	N	68.9	Low	89.9	Confident	224 Å²	224	148.4 Å²	148.4	100%	1.198	70%	0.699	S	S	*	*			trans	-65.4	0	171.7	-74.7	-18.3	0	0	0	110.8	P357	P357-N359 PolarHBondContact O-N 3.11Å

Retrieved 359 of 359 residues in 843.7 ms (Link to these results)

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