A0A077ZCJ4_TRITR Loading...

Ring canal kelch

AlphaFold DB , UniProt , Accession A0A077ZCJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 640 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	38.3	Very low	51.4	Low	252 Å²	252	134.5 Å²	134.5	100%	1.241	79%	0.792	S	S	*	*				0	96.9	0	-71.1	-178.9	-179.6	0	0	107.6
2	S	40.6	Very low	52.9	Low	117 Å²	117	132 Å²	132	82%	0.818	78%	0.779	S	S	*	*			trans	-137.3	92.9	158.6	57.9	0	0	0	0	104.3	G4	S2-G4 PolarHBondContact O-N 3.46Å
3	S	45.8	Very low	54.5	Low	106 Å²	106	131.1 Å²	131.1	74%	0.741	78%	0.779	S	S	*	*			trans	-53.9	117.7	173.3	39.8	0	0	0	0	108.2	E5	S3-E5 PolarHBondContact O-N 3.21Å
4	G	45.6	Very low	56.6	Low	74 Å²	74	134.9 Å²	134.9	76%	0.763	79%	0.788	S	S	*	*			trans	-64.2	104.3	163	0	0	0	0	0	107	S2 E6	S2-G4 PolarHBondContact O-N 3.46Å; G4-E6 PolarHBondContact O-N 3.26Å; G4-E6 VanDerWaalsContact O-N 3.08Å
5	E	51.5	Low	58.5	Low	168 Å²	168	136.7 Å²	136.7	79%	0.785	79%	0.786	S	S	*	*			trans	-67.4	102.5	165.4	-75.1	-179.7	160.4	0	0	106.6	S3 V7	S3-E5 PolarHBondContact O-N 3.21Å; E5-V7 PolarHBondContact O-N 3.28Å
6	E	50.2	Low	60.4	Low	189 Å²	189	139.1 Å²	139.1	88%	0.883	79%	0.785	S	S	*	*			trans	-59.2	96.4	157.9	-76	-177.8	159.7	0	0	106.3	G4 S8	G4-E6 PolarHBondContact O-N 3.26Å; G4-E6 VanDerWaalsContact O-N 3.08Å; E6-S8 VanDerWaalsContact C-N 3.26Å; E6-S8 PolarHBondContact O-N 3.21Å
7	V	53.2	Low	62	Low	122 Å²	122	137.9 Å²	137.9	74%	0.739	78%	0.775	S	S	*	*			trans	-60.8	99.5	168.5	179.5	0	0	0	0	105.9	E5 L9	E5-V7 PolarHBondContact O-N 3.28Å; V7-L9 PolarHBondContact O-N 3.3Å
8	S	53.5	Low	63.4	Low	60 Å²	60	132.3 Å²	132.3	42%	0.42	75%	0.746	S	S	.	*			trans	-43.8	112	168	162.3	0	0	0	0	108.6	E6 A10 D11	E6-S8 VanDerWaalsContact C-N 3.26Å; E6-S8 PolarHBondContact O-N 3.21Å; S8-A10 PolarHBondContact O-N 3.24Å; S8-A10 WeakPolarHBondContact OG-CB 3.45Å; S8-A10 PolarHBondContact OG-N 3.3Å; S8-D11 PolarHBondContact O-N 3.27Å
9	L	59.2	Low	64.6	Low	164 Å²	164	135.6 Å²	135.6	86%	0.859	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-58.7	-3.4	170.1	-82.6	156.8	0	0	0	112.5	V7	V7-L9 PolarHBondContact O-N 3.3Å
10	A	62.9	Low	65.9	Low	84 Å²	84	133.6 Å²	133.6	69%	0.694	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-79.5	-16.2	179.5	0	0	0	0	0	114.5	S8	S8-A10 PolarHBondContact O-N 3.24Å; S8-A10 WeakPolarHBondContact OG-CB 3.45Å; S8-A10 PolarHBondContact OG-N 3.3Å
11	D	65	Low	67.1	Low	144 Å²	144	132.2 Å²	132.2	77%	0.77	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-99.4	6.6	-175.9	-73	-38	0	0	0	114.6	S8 P13	S8-D11 PolarHBondContact O-N 3.27Å; D11-P13 WeakPolarHBondContact O-CD 3.44Å
12	V	69.3	Low	69.4	Low	104 Å²	104	127.1 Å²	127.1	63%	0.63	71%	0.707	S	S	*	*	S	Bend	trans	-85.4	115	171.5	-174.5	0	0	0	0	108.7	M14	V12-M14 PolarHBondContact O-N 3.4Å
13	P	73.7	Confident	71.7	Confident	120 Å²	120	127.2 Å²	127.2	78%	0.779	69%	0.693	S	S	*	*			trans	-60.9	124.1	177.4	22.1	-30.3	0	0	0	110.4	D11 E15	D11-P13 WeakPolarHBondContact O-CD 3.44Å; P13-E15 PolarHBondContact O-N 2.7Å
14	M	84	Confident	73.8	Confident	184 Å²	184	128.4 Å²	128.4	91%	0.906	68%	0.681	S	S	*	*			trans	-83	112.8	173.5	-177.9	-175.3	-74.8	0	0	109.2	V12	V12-M14 PolarHBondContact O-N 3.4Å
15	E	84.6	Confident	75.9	Confident	163 Å²	163	126.8 Å²	126.8	76%	0.762	66%	0.661	S	S	*	*			trans	-91.8	115.2	171.1	-168.3	177.8	-173.8	0	0	109.9	P13 I17	P13-E15 PolarHBondContact O-N 2.7Å; E15-I17 HydrophobicContact CG-CG1 4.06Å
16	F	88.6	Confident	77.7	Confident	174 Å²	174	120.1 Å²	120.1	76%	0.763	63%	0.633	S	S	*	*			trans	-92.4	111.8	171.8	174.4	-100.4	0	0	0	110.1
17	I	87.2	Confident	79.6	Confident	120 Å²	120	115.4 Å²	115.4	62%	0.615	61%	0.61	S	S	*	*			trans	-102.9	108.4	174.7	-55.6	176.2	0	0	0	108.8	E15 K19	E15-I17 HydrophobicContact CG-CG1 4.06Å; I17-K19 PolarHBondContact O-N 2.96Å
18	S	87.7	Confident	81.5	Confident	37 Å²	37	115 Å²	115	26%	0.259	60%	0.6	S	S	.	*			trans	-70.7	113.4	172	-175.7	0	0	0	0	110.1	D20 L21	S18-D20 PolarHBondContact O-N 2.84Å; S18-L21 PolarHBondContact OG-N 3.37Å
19	K	87.4	Confident	83.4	Confident	194 Å²	194	115.2 Å²	115.2	84%	0.843	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-22.7	177.8	-63.5	-175	179.1	-178.4	0	113.4	I17	I17-K19 PolarHBondContact O-N 2.96Å
20	D	90.1	Very high	85	Confident	95 Å²	95	108.6 Å²	108.6	51%	0.508	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.8	-10.9	-171.6	-59.2	-50.3	0	0	0	114.8	S18 K23 R24	S18-D20 PolarHBondContact O-N 2.84Å; D20-K23 PolarHBondContact O-N 3.36Å; D20-R24 WeakPolarHBondContact O-CB 3.5Å; D20-R24 WeakPolarHBondContact O-CG 3.3Å; D20-R24 PolarHBondContact O-N 2.88Å
21	L	91	Very high	86.4	Confident	106 Å²	106	107.6 Å²	107.6	56%	0.555	55%	0.547	S	S	*	.	H	α-helix	trans	-60.8	-48.8	-175.2	179.1	64.3	0	0	0	111.8	S18 R24 A25	S18-L21 PolarHBondContact OG-N 3.37Å; L21-R24 PolarHBondContact O-N 3.37Å; L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.39Å; L21-A25 PolarHBondContact O-N 3.43Å
22	L	87	Confident	87.8	Confident	144 Å²	144	104 Å²	104	75%	0.754	53%	0.526	S	S	*	.	H	α-helix	trans	-65.3	-40.9	-178.9	-67.2	175.2	0	0	0	112	A25 S26	L22-A25 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-N 2.74Å
23	K	87.7	Confident	89.1	Confident	119 Å²	119	99.4 Å²	99.4	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-51.1	175.7	-175.4	-177.8	174.3	-172.2	0	111.1	D20 A25 S26 E27	D20-K23 PolarHBondContact O-N 3.36Å; K23-A25 VanDerWaalsContact C-N 3.32Å; K23-A25 PolarHBondContact O-N 3.05Å; K23-S26 PolarHBondContact O-N 2.89Å; K23-S26 PolarHBondContact O-OG 2.91Å; K23-E27 WeakPolarHBondContact CE-OE1 3.26Å; K23-E27 PolarHBondContact O-N 2.92Å; K23-E27 VanDerWaalsContact O-N 3.15Å
24	R	90.4	Very high	89.9	Confident	131 Å²	131	99.8 Å²	99.8	49%	0.494	49%	0.489	S	S	.	.	H	α-helix	trans	-60.3	-42.4	176.1	-73.4	-174.5	-68.5	170.5	-2.1	111.5	D20 L21 S26 E27 H28	D20-R24 WeakPolarHBondContact O-CB 3.5Å; D20-R24 WeakPolarHBondContact O-CG 3.3Å; D20-R24 PolarHBondContact O-N 2.88Å; L21-R24 PolarHBondContact O-N 3.37Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 3.21Å; R24-E27 PolarHBondContact O-N 2.84Å; R24-H28 PolarHBondContact O-N 3.21Å; R24-H28 PolarHBondContact O-ND1 3.35Å
25	A	89.6	Confident	90.3	Very high	41 Å²	41	97.7 Å²	97.7	34%	0.339	48%	0.477	S	S	.	.	H	α-helix	trans	-59.6	-43.7	177.6	0	0	0	0	0	111.7	L21 L22 K23 E27 H28 L29	L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.39Å; L21-A25 PolarHBondContact O-N 3.43Å; L22-A25 PolarHBondContact O-N 3.08Å; K23-A25 VanDerWaalsContact C-N 3.32Å; K23-A25 PolarHBondContact O-N 3.05Å; A25-E27 PolarHBondContact O-N 3.35Å; A25-H28 PolarHBondContact O-N 3.18Å; A25-L29 WeakPolarHBondContact O-CB 3.48Å; A25-L29 VanDerWaalsContact O-CG 3.26Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.86Å
26	S	89.4	Confident	90.6	Very high	28 Å²	28	91 Å²	91	20%	0.196	45%	0.452	C	S	.	.	H	α-helix	trans	-59.7	-44	176.8	72.2	0	0	0	0	112.8	L22 K23 R24 H28 L29 I30 Y114	L22-S26 PolarHBondContact O-N 2.74Å; K23-S26 PolarHBondContact O-N 2.89Å; K23-S26 PolarHBondContact O-OG 2.91Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 3.21Å; S26-H28 PolarHBondContact O-N 2.7Å; S26-L29 PolarHBondContact O-N 2.99Å; S26-I30 WeakPolarHBondContact O-CG2 3.3Å; S26-I30 PolarHBondContact O-N 2.93Å; S26-I30 VanDerWaalsContact O-N 3.09Å; S26-Y114 WeakPolarHBondContact CB-O 3.17Å
27	E	91.2	Very high	90.8	Very high	89 Å²	89	87.8 Å²	87.8	42%	0.416	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-37.1	178.5	-69.8	169.5	-179.3	0	0	112.3	K23 R24 A25 I30 T31	K23-E27 WeakPolarHBondContact CE-OE1 3.26Å; K23-E27 PolarHBondContact O-N 2.92Å; K23-E27 VanDerWaalsContact O-N 3.15Å; R24-E27 PolarHBondContact O-N 2.84Å; A25-E27 PolarHBondContact O-N 3.35Å; E27-I30 WeakPolarHBondContact O-CG2 3.44Å; E27-T31 PolarHBondContact O-N 3.34Å; E27-T31 PolarHBondContact O-OG1 3.05Å
28	H	93	Very high	91	Very high	113 Å²	113	88 Å²	88	52%	0.523	44%	0.44	S	S	.	.	H	α-helix	trans	-72.3	-40.6	174.5	-69.7	95.6	0	0	0	111.9	R24 A25 S26 I30 T31 M32	R24-H28 PolarHBondContact O-N 3.21Å; R24-H28 PolarHBondContact O-ND1 3.35Å; A25-H28 PolarHBondContact O-N 3.18Å; S26-H28 PolarHBondContact O-N 2.7Å; H28-I30 PolarHBondContact O-N 2.85Å; H28-T31 WeakPolarHBondContact O-CB 3.32Å; H28-T31 PolarHBondContact O-N 3.35Å; H28-M32 WeakPolarHBondContact O-CG 3.39Å; H28-M32 PolarHBondContact O-N 3.47Å
29	L	93	Very high	91.3	Very high	65 Å²	65	87.7 Å²	87.7	34%	0.34	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-40.8	-179.4	-76	171	0	0	0	112.2	A25 S26 M32 R33 Y114	A25-L29 WeakPolarHBondContact O-CB 3.48Å; A25-L29 VanDerWaalsContact O-CG 3.26Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.86Å; S26-L29 PolarHBondContact O-N 2.99Å; L29-M32 PolarHBondContact O-N 3.3Å; L29-R33 WeakPolarHBondContact O-CB 3.31Å; L29-R33 PolarHBondContact O-N 2.96Å; L29-Y114 HydrophobicContact CB-CD1 3.72Å; L29-Y114 HydrophobicContact CB-CE1 3.99Å
30	I	92.3	Very high	91.6	Very high	26 Å²	26	81.9 Å²	81.9	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-65.6	-39.1	174.1	-171.9	166.7	0	0	0	111.6	S26 E27 H28 R33 Q34 D111 T115	S26-I30 WeakPolarHBondContact O-CG2 3.3Å; S26-I30 PolarHBondContact O-N 2.93Å; S26-I30 VanDerWaalsContact O-N 3.09Å; E27-I30 WeakPolarHBondContact O-CG2 3.44Å; H28-I30 PolarHBondContact O-N 2.85Å; I30-R33 WeakPolarHBondContact O-CB 3.15Å; I30-R33 PolarHBondContact O-N 2.73Å; I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.29Å; I30-D111 HydrophobicContact CD1-CB 4.28Å; I30-D111 VanDerWaalsContact CD1-OD1 3.31Å; I30-D111 WeakPolarHBondContact CD1-OD1 3.38Å; I30-T115 HydrophobicContact CB-CG2 4.34Å; I30-T115 HydrophobicContact CD1-CG2 3.55Å; I30-T115 HydrophobicContact CG2-CG2 4.4Å
31	T	93.3	Very high	91.7	Very high	63 Å²	63	77.4 Å²	77.4	39%	0.387	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-44.1	176	-56.1	0	0	0	0	111.1	E27 H28 R33 Q34 Q35	E27-T31 PolarHBondContact O-N 3.34Å; E27-T31 PolarHBondContact O-OG1 3.05Å; H28-T31 WeakPolarHBondContact O-CB 3.32Å; H28-T31 PolarHBondContact O-N 3.35Å; T31-R33 VanDerWaalsContact C-N 3.34Å; T31-R33 PolarHBondContact O-N 3.34Å; T31-Q34 PolarHBondContact O-N 2.81Å; T31-Q35 VanDerWaalsContact O-CG 3.31Å; T31-Q35 WeakPolarHBondContact O-CG 3.4Å; T31-Q35 PolarHBondContact O-N 3.47Å
32	M	94.2	Very high	91.8	Very high	67 Å²	67	74 Å²	74	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-42.1	174.6	-73.1	178.5	176.1	0	0	111.6	H28 L29 Q35 G36 F37	H28-M32 WeakPolarHBondContact O-CG 3.39Å; H28-M32 PolarHBondContact O-N 3.47Å; L29-M32 PolarHBondContact O-N 3.3Å; M32-Q35 PolarHBondContact O-N 3.22Å; M32-G36 PolarHBondContact O-N 3.4Å; M32-G36 VanDerWaalsContact O-N 3.09Å; M32-F37 HydrophobicContact CB-CB 4.25Å; M32-F37 HydrophobicContact CB-CD1 4.3Å; M32-F37 HydrophobicContact CE-CD1 4.44Å; M32-F37 HydrophobicContact CE-CE1 4.41Å; M32-F37 HydrophobicContact CG-CD1 3.97Å; M32-F37 PolarHBondContact O-N 3.03Å; M32-F37 HydrophobicContact SD-CD1 4Å; M32-F37 HydrophobicContact SD-CE1 4.39Å
33	R	95.1	Very high	92.1	Very high	9 Å²	9	67.1 Å²	67.1	3%	0.034	34%	0.339	C	S	.	.	H	α-helix	trans	-57.9	-51.2	174.4	-176.6	-167.4	86.2	88.1	-2.4	111.6	L29 I30 T31 Q35 G36 I66 R67 E107 D111 Y114	L29-R33 WeakPolarHBondContact O-CB 3.31Å; L29-R33 PolarHBondContact O-N 2.96Å; I30-R33 WeakPolarHBondContact O-CB 3.15Å; I30-R33 PolarHBondContact O-N 2.73Å; T31-R33 VanDerWaalsContact C-N 3.34Å; T31-R33 PolarHBondContact O-N 3.34Å; R33-Q35 PolarHBondContact O-N 3.31Å; R33-G36 WeakPolarHBondContact O-CA 3.36Å; R33-G36 PolarHBondContact O-N 3.1Å; R33-I66 VanDerWaalsContact NH1-CG2 3.3Å; R33-R67 WeakPolarHBondContact CG-O 3.24Å; R33-R67 PolarHBondContact NH1-O 3.06Å; R33-E107 IonicContact NH2-OE1 3.43Å; R33-D111 IonicContact CZ-OD1 2.91Å; R33-D111 VanDerWaalsContact CZ-OD1 3.22Å; R33-D111 IonicContact NE-OD1 3.53Å; R33-D111 PolarHBondContact NE-OD1 2.97Å; R33-D111 IonicContact NH2-OD1 3.91Å; R33-D111 PolarHBondContact NH2-OD1 3.44Å; R33-D111 IonicContact NH2-OD2 3.22Å; R33-Y114 HydrophobicContact CB-CE1 4.22Å; R33-Y114 VanDerWaalsContact CD-CE2 3.45Å; R33-Y114 HydrophobicContact CG-CE2 4.3Å
34	Q	91.3	Very high	92.3	Very high	127 Å²	127	62.9 Å²	62.9	59%	0.593	32%	0.322	S	S	*	.	H	α-helix	trans	-62.1	-32.2	-179.6	-72	173.6	-8.9	0	0	112.3	I30 T31 G36	I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.29Å; T31-Q34 PolarHBondContact O-N 2.81Å; Q34-G36 VanDerWaalsContact C-N 3.28Å
35	Q	92.9	Very high	92.2	Very high	141 Å²	141	56.7 Å²	56.7	66%	0.659	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.2	172.9	-67.8	173.4	0.7	0	0	113.4	T31 M32 R33 F37	T31-Q35 VanDerWaalsContact O-CG 3.31Å; T31-Q35 WeakPolarHBondContact O-CG 3.4Å; T31-Q35 PolarHBondContact O-N 3.47Å; M32-Q35 PolarHBondContact O-N 3.22Å; R33-Q35 PolarHBondContact O-N 3.31Å; Q35-F37 PolarHBondContact O-N 2.94Å
36	G	90.4	Very high	91.9	Very high	23 Å²	23	56.2 Å²	56.2	24%	0.237	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	14.4	-173.2	0	0	0	0	0	114	M32 R33 Q34 L38	M32-G36 PolarHBondContact O-N 3.4Å; M32-G36 VanDerWaalsContact O-N 3.09Å; R33-G36 WeakPolarHBondContact O-CA 3.36Å; R33-G36 PolarHBondContact O-N 3.1Å; Q34-G36 VanDerWaalsContact C-N 3.28Å; G36-L38 PolarHBondContact O-N 3.48Å
37	F	92.8	Very high	91.1	Very high	106 Å²	106	64 Å²	64	47%	0.465	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	126.7	-179.8	-174.4	-106.2	0	0	0	109.8	M32 Q35 C39 H69	M32-F37 HydrophobicContact CB-CB 4.25Å; M32-F37 HydrophobicContact CB-CD1 4.3Å; M32-F37 HydrophobicContact CE-CD1 4.44Å; M32-F37 HydrophobicContact CE-CE1 4.41Å; M32-F37 HydrophobicContact CG-CD1 3.97Å; M32-F37 PolarHBondContact O-N 3.03Å; M32-F37 HydrophobicContact SD-CD1 4Å; M32-F37 HydrophobicContact SD-CE1 4.39Å; Q35-F37 PolarHBondContact O-N 2.94Å; F37-C39 PolarHBondContact O-N 3.09Å; F37-H69 PolarHBondContact O-CE1 2.78Å; F37-H69 PolarHBondContact O-NE2 2.92Å
38	L	92.2	Very high	90	Very high	125 Å²	125	67.2 Å²	67.2	65%	0.654	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	11.2	-179.1	-60.9	176.6	0	0	0	116.4	G36 D40 H69	G36-L38 PolarHBondContact O-N 3.48Å; L38-D40 PolarHBondContact O-N 3.45Å; L38-H69 VanDerWaalsContact C-CD2 3.5Å; L38-H69 PolarHBondContact O-CD2 2.83Å; L38-H69 PolarHBondContact O-NE2 3.15Å
39	C	93.2	Very high	88.5	Confident	30 Å²	30	64.4 Å²	64.4	20%	0.203	33%	0.326	C	S	.	.			trans	-67	124.9	173.7	-66.4	0	0	0	0	109.9	F37 R67 A68 H69	F37-C39 PolarHBondContact O-N 3.09Å; C39-R67 HydrophobicContact CB-CB 4Å; C39-A68 WeakPolarHBondContact CA-O 3.21Å; C39-A68 WeakPolarHBondContact CB-O 3.36Å; C39-H69 VanDerWaalsContact SG-CE1 3.53Å
40	D	93.1	Very high	86.9	Confident	72 Å²	72	64.1 Å²	64.1	39%	0.385	33%	0.326	S	S	.	.			trans	-107.9	-6.3	-175	67.2	-29	0	0	0	112.9	L38 A68 H69 R70	L38-D40 PolarHBondContact O-N 3.45Å; D40-A68 PolarHBondContact N-O 2.8Å; D40-H69 VanDerWaalsContact OD1-CA 3.26Å; D40-H69 WeakPolarHBondContact OD1-CA 3.34Å; D40-R70 VanDerWaalsContact C-NH1 3.3Å; D40-R70 VanDerWaalsContact O-CZ 3.3Å; D40-R70 PolarHBondContact O-NH1 3.01Å; D40-R70 PolarHBondContact O-NH2 3.15Å; D40-R70 PolarHBondContact OD1-N 2.97Å; D40-R70 IonicContact OD1-NH1 3.93Å; D40-R70 WeakPolarHBondContact OD2-CB 3.39Å; D40-R70 VanDerWaalsContact OD2-CG 3.28Å; D40-R70 WeakPolarHBondContact OD2-CG 3.31Å; D40-R70 IonicContact OD2-CZ 3.08Å; D40-R70 IonicContact OD2-NH1 3.96Å; D40-R70 PolarHBondContact OD2-NH1 3.36Å
41	V	93.1	Very high	85.2	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.1	176.8	66.1	0	0	0	0	111.9	L43 A68 R70 L73 S94 I96	V41-L43 HydrophobicContact CG2-CD2 4.38Å; V41-A68 HydrophobicContact CG1-CB 4.24Å; V41-A68 PolarHBondContact N-O 2.77Å; V41-A68 PolarHBondContact O-N 3.18Å; V41-R70 HydrophobicContact CB-CG 3.85Å; V41-R70 HydrophobicContact CG1-CG 3.72Å; V41-L73 HydrophobicContact CG1-CD1 3.93Å; V41-S94 CarbonylContact C-O 3.57Å; V41-I96 HydrophobicContact CG2-CD1 3.89Å; V41-I96 HydrophobicContact CG2-CG1 4.14Å
42	T	93.4	Very high	83.5	Confident	33 Å²	33	69.9 Å²	69.9	20%	0.202	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.8	170.5	-56	0	0	0	0	109.6	L44 I66 S94 S95 I96	T42-L44 HydrophobicContact CG2-CD2 4.04Å; T42-I66 CarbonylContact C-O 3.57Å; T42-I66 WeakPolarHBondContact CA-O 3.43Å; T42-S94 PolarHBondContact N-O 3.2Å; T42-S95 CarbonylContact O-C 3.44Å; T42-S95 VanDerWaalsContact O-CA 3.26Å; T42-S95 WeakPolarHBondContact O-CA 3.22Å; T42-I96 PolarHBondContact O-N 3.01Å
43	L	93	Very high	81.6	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.1	172.8	-54.9	179.2	0	0	0	108.8	V41 G65 I66 L73 F80 I96 M98 L106 V110	V41-L43 HydrophobicContact CG2-CD2 4.38Å; L43-G65 CarbonylContact O-C 3.52Å; L43-G65 WeakPolarHBondContact O-CA 3.26Å; L43-I66 HydrophobicContact CB-CB 4.48Å; L43-I66 PolarHBondContact N-O 2.92Å; L43-I66 PolarHBondContact O-N 2.97Å; L43-L73 HydrophobicContact CD1-CD1 4.11Å; L43-L73 HydrophobicContact CD2-CD1 4.49Å; L43-L73 HydrophobicContact CG-CD1 4.49Å; L43-F80 HydrophobicContact CD1-CE1 4.25Å; L43-F80 HydrophobicContact CD1-CE2 4.45Å; L43-F80 HydrophobicContact CD1-CZ 3.76Å; L43-F80 HydrophobicContact CD2-CE1 4.05Å; L43-F80 HydrophobicContact CD2-CZ 4.38Å; L43-I96 CarbonylContact C-O 3.6Å; L43-I96 WeakPolarHBondContact CA-O 3.48Å; L43-I96 HydrophobicContact CD2-CB 4.23Å; L43-M98 HydrophobicContact CB-CG 4.38Å; L43-L106 HydrophobicContact CB-CD2 4.07Å; L43-L106 HydrophobicContact CD1-CD1 4.34Å; L43-V110 HydrophobicContact CD1-CG2 3.98Å
44	L	91.1	Very high	79.6	Confident	31 Å²	31	77.7 Å²	77.7	16%	0.162	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.4	179.1	-58.5	178	0	0	0	109.2	T42 T60 A63 V64 I96 F97 M98	T42-L44 HydrophobicContact CG2-CD2 4.04Å; L44-T60 HydrophobicContact CD1-CG2 4.13Å; L44-A63 HydrophobicContact CB-CB 4.2Å; L44-V64 WeakPolarHBondContact CA-O 3.39Å; L44-I96 PolarHBondContact N-O 3.33Å; L44-F97 HydrophobicContact CB-CB 4.42Å; L44-F97 HydrophobicContact CB-CD2 3.73Å; L44-F97 HydrophobicContact CB-CG 4.49Å; L44-F97 CarbonylContact O-C 3.56Å; L44-F97 WeakPolarHBondContact O-CA 3.5Å; L44-F97 WeakPolarHBondContact O-CD2 3.45Å; L44-M98 PolarHBondContact O-N 3.37Å
45	A	88.2	Confident	77.9	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.7	175	0	0	0	0	0	111.1	A63 V64 A103 L106	A45-A63 CarbonylContact O-C 3.55Å; A45-A63 WeakPolarHBondContact O-CA 3.4Å; A45-V64 PolarHBondContact N-O 2.96Å; A45-V64 VanDerWaalsContact N-O 3.09Å; A45-V64 PolarHBondContact O-N 3.23Å; A45-A103 HydrophobicContact CB-CB 4.15Å; A45-L106 HydrophobicContact CB-CD2 3.69Å
46	H	83.3	Confident	76.1	Confident	31 Å²	31	75.3 Å²	75.3	14%	0.144	41%	0.405	C	S	.	.			trans	-84.7	157.3	175.6	-76.6	-50.3	0	0	0	112.2	Q48 V50 I59 F97 A103	H46-Q48 WeakPolarHBondContact CB-O 3.44Å; H46-Q48 PolarHBondContact O-N 3.49Å; H46-V50 HydrophobicContact CB-CG2 4.19Å; H46-I59 PolarHBondContact CE1-O 2.93Å; H46-I59 PolarHBondContact NE2-O 3.13Å; H46-F97 AromaticContact CD2-CZ 3.65Å; H46-F97 AromaticContact NE2-CZ 3.95Å; H46-A103 WeakPolarHBondContact O-CB 3.26Å; H46-A103 PolarHBondContact O-N 3.31Å
47	R	73	Confident	74.6	Confident	193 Å²	193	80.7 Å²	80.7	73%	0.728	43%	0.427	S	S	*	.	S	Bend	trans	-68.8	-13.5	175	-69	-175	178.7	179.7	-1.3	113.7	V64 N102	R47-V64 HydrophobicContact CG-CG2 4.01Å; R47-N102 PolarHBondContact O-ND2 3.49Å
48	Q	68.5	Low	73	Confident	156 Å²	156	77.7 Å²	77.7	73%	0.729	42%	0.422	S	S	*	.	S	Bend	trans	-130.6	144.6	168.1	-74.7	178.4	-26.5	0	0	107	H46 V50	H46-Q48 WeakPolarHBondContact CB-O 3.44Å; H46-Q48 PolarHBondContact O-N 3.49Å; Q48-V50 PolarHBondContact O-N 3.2Å
49	A	60.6	Low	71.6	Confident	54 Å²	54	72.7 Å²	72.7	45%	0.446	40%	0.396	S	S	.	.			trans	-62.8	127.1	173.3	0	0	0	0	0	109
50	V	59.1	Low	70.3	Confident	58 Å²	58	74.3 Å²	74.3	35%	0.352	41%	0.405	S	S	.	.			trans	-116.1	133.7	176	-172.3	0	0	0	0	107.7	H46 Q48	H46-V50 HydrophobicContact CB-CG2 4.19Å; Q48-V50 PolarHBondContact O-N 3.2Å
51	D	56.3	Low	69.1	Low	124 Å²	124	79 Å²	79	66%	0.663	42%	0.422	S	S	*	.			trans	-68.8	155	176.6	-75	-26.3	0	0	0	112.2	T53	D51-T53 PolarHBondContact O-N 3.21Å
52	S	58.5	Low	68.2	Low	86 Å²	86	82.1 Å²	82.1	60%	0.601	45%	0.454	S	S	*	.	S	Bend	trans	-72.5	17.6	-164.2	55	0	0	0	0	116.7
53	T	53.5	Low	67.7	Low	130 Å²	130	81.6 Å²	81.6	80%	0.798	45%	0.454	S	S	*	.			trans	-94.4	6.2	-169.4	55.1	0	0	0	0	116.2	D51	D51-T53 PolarHBondContact O-N 3.21Å
54	E	54.3	Low	67.4	Low	111 Å²	111	83.8 Å²	83.8	52%	0.519	47%	0.467	S	S	.	.	S	Bend	trans	-101.4	164	178.8	-66.3	-165.5	169.7	0	0	114	I59	E54-I59 HydrophobicContact CB-CG1 3.96Å; E54-I59 WeakPolarHBondContact O-CD1 3.05Å
55	S	54.6	Low	67.3	Low	81 Å²	81	84.4 Å²	84.4	57%	0.566	48%	0.48	S	S	*	.			trans	-75.8	144	177.2	93.9	0	0	0	0	112	L57 A58 I59	S55-L57 PolarHBondContact O-N 2.92Å; S55-A58 WeakPolarHBondContact O-CB 3.28Å; S55-A58 PolarHBondContact O-N 3.03Å; S55-I59 WeakPolarHBondContact O-CG1 3.38Å; S55-I59 PolarHBondContact O-N 2.82Å
56	E	56.7	Low	67.6	Low	136 Å²	136	84.6 Å²	84.6	64%	0.636	48%	0.481	S	S	*	.	H	α-helix	trans	-49.6	-33.6	-174.2	-156	175.9	-173.8	0	0	114.6	K93	E56-K93 IonicContact OE1-NZ 2.96Å; E56-K93 PolarHBondContact OE1-NZ 2.89Å; E56-K93 VanDerWaalsContact OE1-NZ 3.08Å
57	L	57.2	Low	68.1	Low	137 Å²	137	90 Å²	90	72%	0.717	50%	0.5	S	S	*	.	H	α-helix	trans	-78.1	-26.1	178.6	-160.3	79.6	0	0	0	113.7	S55 T60	S55-L57 PolarHBondContact O-N 2.92Å; L57-T60 PolarHBondContact O-OG1 3.08Å
58	A	60.2	Low	69.2	Low	42 Å²	42	80.8 Å²	80.8	35%	0.347	47%	0.466	S	S	.	.	H	α-helix	trans	-77.2	-40.3	173.8	0	0	0	0	0	110.6	S55 T60 K61	S55-A58 WeakPolarHBondContact O-CB 3.28Å; S55-A58 PolarHBondContact O-N 3.03Å; A58-T60 VanDerWaalsContact C-N 3.26Å; A58-T60 PolarHBondContact O-N 3.37Å; A58-K61 PolarHBondContact O-N 3.39Å; A58-K61 VanDerWaalsContact O-N 3.13Å
59	I	63.2	Low	70.4	Confident	20 Å²	20	74.2 Å²	74.2	10%	0.103	44%	0.435	C	S	.	.	H	α-helix	trans	-58.6	-32.9	179.8	-62	176	0	0	0	112.6	H46 E54 S55 K61 F97	H46-I59 PolarHBondContact CE1-O 2.93Å; H46-I59 PolarHBondContact NE2-O 3.13Å; E54-I59 HydrophobicContact CB-CG1 3.96Å; E54-I59 WeakPolarHBondContact O-CD1 3.05Å; S55-I59 WeakPolarHBondContact O-CG1 3.38Å; S55-I59 PolarHBondContact O-N 2.82Å; I59-K61 VanDerWaalsContact C-N 3.34Å; I59-K61 PolarHBondContact O-N 3.47Å; I59-F97 HydrophobicContact CG2-CD1 3.6Å; I59-F97 HydrophobicContact CG2-CD2 3.57Å; I59-F97 HydrophobicContact CG2-CE1 3.32Å; I59-F97 HydrophobicContact CG2-CE2 3.29Å; I59-F97 HydrophobicContact CG2-CG 3.72Å; I59-F97 HydrophobicContact CG2-CZ 3.16Å
60	T	64.7	Low	72	Confident	65 Å²	65	73.9 Å²	73.9	40%	0.399	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.3	-178.2	52.9	0	0	0	0	113.8	L44 L57 A58 G62 A63	L44-T60 HydrophobicContact CD1-CG2 4.13Å; L57-T60 PolarHBondContact O-OG1 3.08Å; A58-T60 VanDerWaalsContact C-N 3.26Å; A58-T60 PolarHBondContact O-N 3.37Å; T60-G62 PolarHBondContact O-N 3.46Å; T60-A63 PolarHBondContact O-N 3.24Å
61	K	69.2	Low	73.6	Confident	169 Å²	169	76.6 Å²	76.6	74%	0.735	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	111.9	-179.6	-74.7	-175.9	177.3	177.9	0	110.8	A58 I59	A58-K61 PolarHBondContact O-N 3.39Å; A58-K61 VanDerWaalsContact O-N 3.13Å; I59-K61 VanDerWaalsContact C-N 3.34Å; I59-K61 PolarHBondContact O-N 3.47Å
62	G	74.5	Confident	75.4	Confident	67 Å²	67	71.8 Å²	71.8	69%	0.691	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	6.7	178.7	0	0	0	0	0	114.7	T60	T60-G62 PolarHBondContact O-N 3.46Å
63	A	81.5	Confident	77.1	Confident	23 Å²	23	67.7 Å²	67.7	19%	0.19	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-67.8	142.3	169	0	0	0	0	0	110.8	L44 A45 T60 F97	L44-A63 HydrophobicContact CB-CB 4.2Å; A45-A63 CarbonylContact O-C 3.55Å; A45-A63 WeakPolarHBondContact O-CA 3.4Å; T60-A63 PolarHBondContact O-N 3.24Å; A63-F97 HydrophobicContact CB-CE2 4.07Å
64	V	86.9	Confident	79	Confident	46 Å²	46	62.2 Å²	62.2	28%	0.279	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.1	171.5	-179.1	0	0	0	0	107.9	L44 A45 R47 A103	L44-V64 WeakPolarHBondContact CA-O 3.39Å; A45-V64 PolarHBondContact N-O 2.96Å; A45-V64 VanDerWaalsContact N-O 3.09Å; A45-V64 PolarHBondContact O-N 3.23Å; R47-V64 HydrophobicContact CG-CG2 4.01Å; V64-A103 HydrophobicContact CB-CB 3.79Å; V64-A103 HydrophobicContact CG1-CB 4.44Å; V64-A103 HydrophobicContact CG2-CB 4Å
65	G	89.7	Confident	80.8	Confident	43 Å²	43	61.8 Å²	61.8	44%	0.443	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	177.7	0	0	0	0	0	112.2	L43	L43-G65 CarbonylContact O-C 3.52Å; L43-G65 WeakPolarHBondContact O-CA 3.26Å
66	I	93.4	Very high	82.6	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.3	179.3	-58.2	162.4	0	0	0	107.9	R33 T42 L43 A103 L106 E107 V110	R33-I66 VanDerWaalsContact NH1-CG2 3.3Å; T42-I66 CarbonylContact C-O 3.57Å; T42-I66 WeakPolarHBondContact CA-O 3.43Å; L43-I66 HydrophobicContact CB-CB 4.48Å; L43-I66 PolarHBondContact N-O 2.92Å; L43-I66 PolarHBondContact O-N 2.97Å; I66-A103 WeakPolarHBondContact CD1-O 3.49Å; I66-L106 HydrophobicContact CD1-CB 3.83Å; I66-L106 HydrophobicContact CD1-CD2 3.84Å; I66-L106 HydrophobicContact CD1-CG 3.71Å; I66-E107 HydrophobicContact CD1-CB 3.91Å; I66-E107 HydrophobicContact CG1-CB 4.36Å; I66-V110 HydrophobicContact CG2-CB 4.44Å; I66-V110 HydrophobicContact CG2-CG1 4.35Å; I66-V110 HydrophobicContact CG2-CG2 4.35Å
67	R	94.6	Very high	84.4	Confident	145 Å²	145	54.4 Å²	54.4	55%	0.547	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	141.1	177.1	-66.8	-177.1	-179.7	151.8	-0.1	110.8	R33 C39	R33-R67 WeakPolarHBondContact CG-O 3.24Å; R33-R67 PolarHBondContact NH1-O 3.06Å; C39-R67 HydrophobicContact CB-CB 4Å
68	A	95.2	Very high	86.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	171.8	179.9	0	0	0	0	0	111.8	C39 D40 V41 L73 V110	C39-A68 WeakPolarHBondContact CA-O 3.21Å; C39-A68 WeakPolarHBondContact CB-O 3.36Å; D40-A68 PolarHBondContact N-O 2.8Å; V41-A68 HydrophobicContact CG1-CB 4.24Å; V41-A68 PolarHBondContact N-O 2.77Å; V41-A68 PolarHBondContact O-N 3.18Å; A68-L73 HydrophobicContact CB-CD1 3.79Å; A68-L73 HydrophobicContact CB-CD2 4.13Å; A68-L73 HydrophobicContact CB-CG 4.03Å; A68-V110 HydrophobicContact CB-CG1 4.37Å
69	H	94.9	Very high	87.6	Confident	18 Å²	18	52.5 Å²	52.5	8%	0.083	30%	0.302	C	S	.	.			trans	-105.5	122.2	173.7	-56.6	79.2	0	0	0	109.3	F37 L38 C39 D40 I71 V72 L73 Y114	F37-H69 PolarHBondContact O-CE1 2.78Å; F37-H69 PolarHBondContact O-NE2 2.92Å; L38-H69 VanDerWaalsContact C-CD2 3.5Å; L38-H69 PolarHBondContact O-CD2 2.83Å; L38-H69 PolarHBondContact O-NE2 3.15Å; C39-H69 VanDerWaalsContact SG-CE1 3.53Å; D40-H69 VanDerWaalsContact OD1-CA 3.26Å; D40-H69 WeakPolarHBondContact OD1-CA 3.34Å; H69-I71 HydrophobicContact CB-CG2 4.29Å; H69-I71 PolarHBondContact O-N 3.28Å; H69-I71 VanDerWaalsContact O-N 3.15Å; H69-V72 HydrophobicContact CB-CB 4.38Å; H69-V72 HydrophobicContact CB-CG2 4.05Å; H69-V72 PolarHBondContact O-N 3.49Å; H69-L73 PolarHBondContact O-N 3.09Å; H69-L73 VanDerWaalsContact O-N 3.1Å; H69-Y114 VanDerWaalsContact CB-OH 3.28Å; H69-Y114 WeakPolarHBondContact CB-OH 3.28Å; H69-Y114 PolarHBondContact N-OH 3.34Å; H69-Y114 AromaticContact ND1-CE1 3.96Å; H69-Y114 AromaticContact ND1-CZ 3.74Å; H69-Y114 PolarHBondContact ND1-OH 3.32Å
70	R	93.1	Very high	89.1	Confident	46 Å²	46	51.5 Å²	51.5	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-52.7	-39.5	-179.7	-73.1	-170.2	-177.2	77.1	6.1	112.2	D40 V41 V72 L73 A74 F84 K93	D40-R70 VanDerWaalsContact C-NH1 3.3Å; D40-R70 VanDerWaalsContact O-CZ 3.3Å; D40-R70 PolarHBondContact O-NH1 3.01Å; D40-R70 PolarHBondContact O-NH2 3.15Å; D40-R70 PolarHBondContact OD1-N 2.97Å; D40-R70 IonicContact OD1-NH1 3.93Å; D40-R70 WeakPolarHBondContact OD2-CB 3.39Å; D40-R70 VanDerWaalsContact OD2-CG 3.28Å; D40-R70 WeakPolarHBondContact OD2-CG 3.31Å; D40-R70 IonicContact OD2-CZ 3.08Å; D40-R70 IonicContact OD2-NH1 3.96Å; D40-R70 PolarHBondContact OD2-NH1 3.36Å; V41-R70 HydrophobicContact CB-CG 3.85Å; V41-R70 HydrophobicContact CG1-CG 3.72Å; R70-V72 PolarHBondContact O-N 2.99Å; R70-L73 PolarHBondContact O-N 3.39Å; R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3Å; R70-F84 HydrophobicContact CB-CD2 4.14Å; R70-F84 HydrophobicContact CB-CE2 4.02Å; R70-F84 HydrophobicContact CB-CZ 4.31Å; R70-F84 HydrophobicContact CG-CD1 4.25Å; R70-F84 HydrophobicContact CG-CD2 4.34Å; R70-F84 HydrophobicContact CG-CE1 3.88Å; R70-F84 HydrophobicContact CG-CE2 4Å; R70-F84 HydrophobicContact CG-CG 4.47Å; R70-F84 HydrophobicContact CG-CZ 3.77Å; R70-K93 PolarHBondContact NH2-O 3.38Å
71	I	93.2	Very high	90.4	Very high	116 Å²	116	51 Å²	51	60%	0.595	29%	0.292	S	S	*	.	H	α-helix	trans	-63.4	-40.9	-179.3	-169.2	60.5	0	0	0	112.1	H69 C75	H69-I71 HydrophobicContact CB-CG2 4.29Å; H69-I71 PolarHBondContact O-N 3.28Å; H69-I71 VanDerWaalsContact O-N 3.15Å; I71-C75 VanDerWaalsContact O-CB 3.31Å; I71-C75 WeakPolarHBondContact O-CB 3.5Å; I71-C75 PolarHBondContact O-N 2.97Å; I71-C75 PolarHBondContact O-SG 2.78Å
72	V	93.9	Very high	91.4	Very high	22 Å²	22	46 Å²	46	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-69.7	-45.2	178.6	179.6	0	0	0	0	109.8	H69 R70 A74 C75 S76 Y114	H69-V72 HydrophobicContact CB-CB 4.38Å; H69-V72 HydrophobicContact CB-CG2 4.05Å; H69-V72 PolarHBondContact O-N 3.49Å; R70-V72 PolarHBondContact O-N 2.99Å; V72-A74 PolarHBondContact O-N 3.32Å; V72-C75 PolarHBondContact O-N 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.47Å; V72-S76 PolarHBondContact O-OG 2.89Å; V72-Y114 HydrophobicContact CB-CE1 4.11Å; V72-Y114 HydrophobicContact CB-CE2 4.2Å; V72-Y114 HydrophobicContact CG1-CD1 4.06Å; V72-Y114 HydrophobicContact CG1-CD2 3.96Å; V72-Y114 HydrophobicContact CG1-CE1 3.84Å; V72-Y114 HydrophobicContact CG1-CE2 3.74Å; V72-Y114 HydrophobicContact CG1-CG 4.1Å; V72-Y114 HydrophobicContact CG2-CE1 3.87Å
73	L	94.4	Very high	92.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-45.9	175.8	-63.5	-178.6	0	0	0	111.8	V41 L43 A68 H69 R70 S76 C77 F80 F84 V110 M113	V41-L73 HydrophobicContact CG1-CD1 3.93Å; L43-L73 HydrophobicContact CD1-CD1 4.11Å; L43-L73 HydrophobicContact CD2-CD1 4.49Å; L43-L73 HydrophobicContact CG-CD1 4.49Å; A68-L73 HydrophobicContact CB-CD1 3.79Å; A68-L73 HydrophobicContact CB-CD2 4.13Å; A68-L73 HydrophobicContact CB-CG 4.03Å; H69-L73 PolarHBondContact O-N 3.09Å; H69-L73 VanDerWaalsContact O-N 3.1Å; R70-L73 PolarHBondContact O-N 3.39Å; L73-S76 PolarHBondContact O-N 3.32Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.2Å; L73-F80 HydrophobicContact CB-CB 3.93Å; L73-F80 HydrophobicContact CB-CD2 3.94Å; L73-F80 HydrophobicContact CB-CG 3.95Å; L73-F80 HydrophobicContact CD1-CG 4.49Å; L73-F80 HydrophobicContact CD2-CD2 4.27Å; L73-F80 HydrophobicContact CD2-CE2 4.35Å; L73-F80 HydrophobicContact CG-CD2 4.47Å; L73-F84 HydrophobicContact CB-CE2 3.95Å; L73-F84 HydrophobicContact CD1-CE2 4.16Å; L73-F84 HydrophobicContact CD1-CZ 4.23Å; L73-V110 HydrophobicContact CD2-CG1 4.46Å; L73-V110 HydrophobicContact CD2-CG2 4.27Å; L73-M113 HydrophobicContact CD2-CE 4.23Å; L73-M113 HydrophobicContact CD2-SD 3.45Å; L73-M113 WeakPolarHBondContact CD2-SD 3.38Å
74	A	92.9	Very high	92.5	Very high	16 Å²	16	43.9 Å²	43.9	13%	0.132	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-35.4	179.5	0	0	0	0	0	113.2	R70 V72 N81 F84	R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3Å; V72-A74 PolarHBondContact O-N 3.32Å; A74-N81 HydrophobicContact CB-CB 4.49Å; A74-N81 VanDerWaalsContact O-CB 3.24Å; A74-N81 WeakPolarHBondContact O-CB 3.38Å; A74-F84 HydrophobicContact CB-CD2 4.14Å
75	C	93.3	Very high	92.6	Very high	102 Å²	102	49.2 Å²	49.2	69%	0.689	27%	0.27	S	S	*	.	H	α-helix	trans	-71.9	-38.1	177.6	-74.9	0	0	0	0	112.1	I71 V72	I71-C75 VanDerWaalsContact O-CB 3.31Å; I71-C75 WeakPolarHBondContact O-CB 3.5Å; I71-C75 PolarHBondContact O-N 2.97Å; I71-C75 PolarHBondContact O-SG 2.78Å; V72-C75 PolarHBondContact O-N 3.28Å
76	S	92.3	Very high	92.3	Very high	59 Å²	59	48.7 Å²	48.7	41%	0.413	26%	0.259	S	S	.	.	H	α-helix	trans	-94.4	-18.8	-172.3	-56.6	0	0	0	0	114.2	V72 L73 M113	V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.47Å; V72-S76 PolarHBondContact O-OG 2.89Å; L73-S76 PolarHBondContact O-N 3.32Å; S76-M113 PolarHBondContact OG-O 2.99Å
77	C	94.1	Very high	91.6	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.014	30%	0.302	C	S	.	.			trans	-134.3	121.8	-173.2	172.1	0	0	0	0	112.2	L73 Y79 F80 N81 M113 L144	L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.2Å; C77-Y79 VanDerWaalsContact C-N 3.33Å; C77-Y79 PolarHBondContact O-N 3.37Å; C77-F80 HydrophobicContact CB-CB 4.34Å; C77-F80 HydrophobicContact CB-CD2 3.71Å; C77-F80 HydrophobicContact CB-CG 4.48Å; C77-F80 PolarHBondContact O-N 3.31Å; C77-F80 WeakPolarHBondContact SG-CD2 3.4Å; C77-N81 WeakPolarHBondContact O-CB 3.48Å; C77-N81 PolarHBondContact O-N 3.47Å; C77-M113 HydrophobicContact CB-SD 3.85Å; C77-L144 PolarHBondContact SG-O 3.46Å
78	P	93	Very high	91	Very high	62 Å²	62	57.5 Å²	57.5	40%	0.403	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-39	-179.9	-25.3	34.4	0	0	0	114.1	N81 A82 Q145	P78-N81 WeakPolarHBondContact O-CB 3.35Å; P78-N81 PolarHBondContact O-N 3.32Å; P78-A82 WeakPolarHBondContact O-CB 3.48Å; P78-A82 PolarHBondContact O-N 2.79Å; P78-Q145 HydrophobicContact CB-CB 4.27Å; P78-Q145 HydrophobicContact CG-CB 4.32Å
79	Y	92.6	Very high	90	Very high	77 Å²	77	60.5 Å²	60.5	30%	0.302	33%	0.326	S	S	.	.	H	α-helix	trans	-58.5	-50.4	177.6	176.3	-91	0	0	0	111.3	C77 A82 M83 M98 L144	C77-Y79 VanDerWaalsContact C-N 3.33Å; C77-Y79 PolarHBondContact O-N 3.37Å; Y79-A82 PolarHBondContact O-N 2.89Å; Y79-M83 HydrophobicContact CE1-SD 3.97Å; Y79-M83 VanDerWaalsContact O-CB 3.32Å; Y79-M83 WeakPolarHBondContact O-CB 3.3Å; Y79-M83 PolarHBondContact O-N 2.9Å; Y79-M98 HydrophobicContact CE1-CE 3.9Å; Y79-M98 HydrophobicContact CE1-SD 4.42Å; Y79-L144 HydrophobicContact CD1-CD2 3.66Å; Y79-L144 HydrophobicContact CE1-CD2 4.24Å; Y79-L144 HydrophobicContact CG-CD2 4.01Å
80	F	93	Very high	89.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.8	-36.4	178.2	-70.8	-53.8	0	0	0	112.4	L43 L73 C77 A82 M83 F84 M98 M113 L144	L43-F80 HydrophobicContact CD1-CE1 4.25Å; L43-F80 HydrophobicContact CD1-CE2 4.45Å; L43-F80 HydrophobicContact CD1-CZ 3.76Å; L43-F80 HydrophobicContact CD2-CE1 4.05Å; L43-F80 HydrophobicContact CD2-CZ 4.38Å; L73-F80 HydrophobicContact CB-CB 3.93Å; L73-F80 HydrophobicContact CB-CD2 3.94Å; L73-F80 HydrophobicContact CB-CG 3.95Å; L73-F80 HydrophobicContact CD1-CG 4.49Å; L73-F80 HydrophobicContact CD2-CD2 4.27Å; L73-F80 HydrophobicContact CD2-CE2 4.35Å; L73-F80 HydrophobicContact CG-CD2 4.47Å; C77-F80 HydrophobicContact CB-CB 4.34Å; C77-F80 HydrophobicContact CB-CD2 3.71Å; C77-F80 HydrophobicContact CB-CG 4.48Å; C77-F80 PolarHBondContact O-N 3.31Å; C77-F80 WeakPolarHBondContact SG-CD2 3.4Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 3.01Å; F80-M83 HydrophobicContact CD1-CE 3.56Å; F80-M83 HydrophobicContact CD1-SD 4.43Å; F80-M83 HydrophobicContact CE1-CE 3.98Å; F80-M83 PolarHBondContact O-N 2.94Å; F80-F84 HydrophobicContact CB-CD2 4.09Å; F80-F84 HydrophobicContact CB-CE2 3.78Å; F80-F84 HydrophobicContact CD1-CE2 4.09Å; F80-F84 HydrophobicContact CD1-CZ 4.14Å; F80-F84 HydrophobicContact CG-CE2 4.22Å; F80-F84 WeakPolarHBondContact O-CB 3.37Å; F80-F84 WeakPolarHBondContact O-CD2 3.5Å; F80-F84 VanDerWaalsContact O-CG 3.32Å; F80-F84 WeakPolarHBondContact O-CG 3.44Å; F80-F84 PolarHBondContact O-N 3.45Å; F80-M98 HydrophobicContact CE1-CE 4.29Å; F80-M98 HydrophobicContact CE1-SD 4.04Å; F80-M98 HydrophobicContact CZ-CE 4.09Å; F80-M98 HydrophobicContact CZ-SD 4.23Å; F80-M113 HydrophobicContact CD2-CE 4.28Å; F80-M113 HydrophobicContact CD2-SD 4.13Å; F80-M113 HydrophobicContact CE2-CE 3.81Å; F80-M113 HydrophobicContact CE2-SD 4.23Å; F80-L144 HydrophobicContact CE2-CD1 4.36Å; F80-L144 HydrophobicContact CE2-CD2 4Å; F80-L144 HydrophobicContact CZ-CD2 4.02Å
81	N	92.1	Very high	88.5	Confident	54 Å²	54	62.7 Å²	62.7	29%	0.289	34%	0.341	S	S	.	.	H	α-helix	trans	-58.4	-47.2	173.9	-164.8	15.4	0	0	0	111.5	A74 C77 P78 K85	A74-N81 HydrophobicContact CB-CB 4.49Å; A74-N81 VanDerWaalsContact O-CB 3.24Å; A74-N81 WeakPolarHBondContact O-CB 3.38Å; C77-N81 WeakPolarHBondContact O-CB 3.48Å; C77-N81 PolarHBondContact O-N 3.47Å; P78-N81 WeakPolarHBondContact O-CB 3.35Å; P78-N81 PolarHBondContact O-N 3.32Å; N81-K85 VanDerWaalsContact O-CB 3.26Å; N81-K85 WeakPolarHBondContact O-CB 3.17Å; N81-K85 VanDerWaalsContact O-CG 3.31Å; N81-K85 WeakPolarHBondContact O-CG 3.45Å; N81-K85 PolarHBondContact O-N 3.06Å; N81-K85 WeakPolarHBondContact OD1-CD 3.45Å; N81-K85 WeakPolarHBondContact OD1-CE 3.42Å; N81-K85 PolarHBondContact OD1-NZ 3.09Å
82	A	91	Very high	87.9	Confident	64 Å²	64	63.4 Å²	63.4	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-65.4	-47.9	177.2	0	0	0	0	0	111	P78 Y79 F80 F84 K85 S86	P78-A82 WeakPolarHBondContact O-CB 3.48Å; P78-A82 PolarHBondContact O-N 2.79Å; Y79-A82 PolarHBondContact O-N 2.89Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 3.01Å; A82-F84 PolarHBondContact O-N 3.46Å; A82-K85 PolarHBondContact O-N 3.43Å; A82-S86 VanDerWaalsContact O-CB 3.3Å; A82-S86 WeakPolarHBondContact O-CB 3.43Å; A82-S86 PolarHBondContact O-N 3.04Å
83	M	90.3	Very high	87.5	Confident	19 Å²	19	65.8 Å²	65.8	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-58.1	-46.9	-179.8	-171.3	-178.7	77	0	0	112	Y79 F80 S86 E90 T91 I96	Y79-M83 HydrophobicContact CE1-SD 3.97Å; Y79-M83 VanDerWaalsContact O-CB 3.32Å; Y79-M83 WeakPolarHBondContact O-CB 3.3Å; Y79-M83 PolarHBondContact O-N 2.9Å; F80-M83 HydrophobicContact CD1-CE 3.56Å; F80-M83 HydrophobicContact CD1-SD 4.43Å; F80-M83 HydrophobicContact CE1-CE 3.98Å; F80-M83 PolarHBondContact O-N 2.94Å; M83-S86 WeakPolarHBondContact O-CB 3.26Å; M83-S86 PolarHBondContact O-N 3.12Å; M83-S86 PolarHBondContact O-OG 3.43Å; M83-E90 HydrophobicContact CG-CB 3.82Å; M83-E90 HydrophobicContact CG-CG 4.37Å; M83-E90 HydrophobicContact SD-CB 4.11Å; M83-E90 HydrophobicContact SD-CG 4.29Å; M83-T91 PolarHBondContact O-OG1 3.36Å; M83-I96 HydrophobicContact CE-CD1 3.46Å; M83-I96 VanDerWaalsContact CE-CD1 3.46Å; M83-I96 HydrophobicContact CE-CG2 4.34Å; M83-I96 HydrophobicContact SD-CD1 4.39Å; M83-I96 HydrophobicContact SD-CG2 4.26Å
84	F	89.7	Confident	87.1	Confident	27 Å²	27	69.7 Å²	69.7	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-79.6	-22.1	-178.3	-60.9	-44.6	0	0	0	114.3	R70 L73 A74 F80 A82 T91 I96	R70-F84 HydrophobicContact CB-CD2 4.14Å; R70-F84 HydrophobicContact CB-CE2 4.02Å; R70-F84 HydrophobicContact CB-CZ 4.31Å; R70-F84 HydrophobicContact CG-CD1 4.25Å; R70-F84 HydrophobicContact CG-CD2 4.34Å; R70-F84 HydrophobicContact CG-CE1 3.88Å; R70-F84 HydrophobicContact CG-CE2 4Å; R70-F84 HydrophobicContact CG-CG 4.47Å; R70-F84 HydrophobicContact CG-CZ 3.77Å; L73-F84 HydrophobicContact CB-CE2 3.95Å; L73-F84 HydrophobicContact CD1-CE2 4.16Å; L73-F84 HydrophobicContact CD1-CZ 4.23Å; A74-F84 HydrophobicContact CB-CD2 4.14Å; F80-F84 HydrophobicContact CB-CD2 4.09Å; F80-F84 HydrophobicContact CB-CE2 3.78Å; F80-F84 HydrophobicContact CD1-CE2 4.09Å; F80-F84 HydrophobicContact CD1-CZ 4.14Å; F80-F84 HydrophobicContact CG-CE2 4.22Å; F80-F84 WeakPolarHBondContact O-CB 3.37Å; F80-F84 WeakPolarHBondContact O-CD2 3.5Å; F80-F84 VanDerWaalsContact O-CG 3.32Å; F80-F84 WeakPolarHBondContact O-CG 3.44Å; F80-F84 PolarHBondContact O-N 3.45Å; A82-F84 PolarHBondContact O-N 3.46Å; F84-T91 WeakPolarHBondContact O-CG2 3.45Å; F84-I96 HydrophobicContact CE1-CD1 3.71Å; F84-I96 HydrophobicContact CZ-CD1 4.36Å
85	K	87.6	Confident	86.8	Confident	158 Å²	158	71.5 Å²	71.5	69%	0.687	40%	0.398	S	S	*	.	H	α-helix	trans	-83.6	-14	170.4	-75.8	176.7	173.2	159	0	113.3	N81 A82	N81-K85 VanDerWaalsContact O-CB 3.26Å; N81-K85 WeakPolarHBondContact O-CB 3.17Å; N81-K85 VanDerWaalsContact O-CG 3.31Å; N81-K85 WeakPolarHBondContact O-CG 3.45Å; N81-K85 PolarHBondContact O-N 3.06Å; N81-K85 WeakPolarHBondContact OD1-CD 3.45Å; N81-K85 WeakPolarHBondContact OD1-CE 3.42Å; N81-K85 PolarHBondContact OD1-NZ 3.09Å; A82-K85 PolarHBondContact O-N 3.43Å
86	S	84.7	Confident	86.7	Confident	31 Å²	31	67 Å²	67	22%	0.217	37%	0.367	C	S	.	.	S	Bend	trans	-69.7	167.8	-179.3	84.4	0	0	0	0	112.1	A82 M83 M88 T91	A82-S86 VanDerWaalsContact O-CB 3.3Å; A82-S86 WeakPolarHBondContact O-CB 3.43Å; A82-S86 PolarHBondContact O-N 3.04Å; M83-S86 WeakPolarHBondContact O-CB 3.26Å; M83-S86 PolarHBondContact O-N 3.12Å; M83-S86 PolarHBondContact O-OG 3.43Å; S86-M88 VanDerWaalsContact C-N 3.3Å; S86-M88 WeakPolarHBondContact CB-SD 3.11Å; S86-M88 WeakPolarHBondContact OG-CB 3.4Å; S86-M88 PolarHBondContact OG-N 3.5Å; S86-M88 PolarHBondContact OG-SD 2.85Å; S86-T91 PolarHBondContact O-OG1 2.63Å
87	K	78.4	Confident	86.4	Confident	213 Å²	213	66.1 Å²	66.1	93%	0.926	36%	0.356	S	S	*	.	S	Bend	trans	-94.2	18.7	171.5	-65	-174.6	179.4	-179.9	0	112.4
88	M	80.9	Confident	86	Confident	121 Å²	121	66.3 Å²	66.3	60%	0.596	36%	0.356	S	S	*	.	S	Bend	trans	-85	171	-176.5	-71.2	64.4	-178.7	0	0	111.4	S86 E90 T91	S86-M88 VanDerWaalsContact C-N 3.3Å; S86-M88 WeakPolarHBondContact CB-SD 3.11Å; S86-M88 WeakPolarHBondContact OG-CB 3.4Å; S86-M88 PolarHBondContact OG-N 3.5Å; S86-M88 PolarHBondContact OG-SD 2.85Å; M88-E90 VanDerWaalsContact CB-OE2 3.3Å; M88-E90 WeakPolarHBondContact CB-OE2 3.33Å; M88-E90 PolarHBondContact O-N 2.85Å; M88-T91 WeakPolarHBondContact O-CB 3.31Å; M88-T91 PolarHBondContact O-N 2.79Å; M88-T91 PolarHBondContact O-OG1 3.24Å
89	S	75.4	Confident	85.5	Confident	64 Å²	64	67.1 Å²	67.1	45%	0.448	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29.8	-173.6	74.1	0	0	0	0	113.2	T91 V92 K93	S89-T91 PolarHBondContact O-N 2.88Å; S89-V92 PolarHBondContact O-N 3.27Å; S89-K93 WeakPolarHBondContact O-CG 3.44Å; S89-K93 PolarHBondContact O-N 3.38Å
90	E	79	Confident	84.9	Confident	63 Å²	63	66.8 Å²	66.8	29%	0.294	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-64.4	-24.8	-176.8	-69.2	73.8	-167	0	0	112.2	M83 M88 V92 I96	M83-E90 HydrophobicContact CG-CB 3.82Å; M83-E90 HydrophobicContact CG-CG 4.37Å; M83-E90 HydrophobicContact SD-CB 4.11Å; M83-E90 HydrophobicContact SD-CG 4.29Å; M88-E90 VanDerWaalsContact CB-OE2 3.3Å; M88-E90 WeakPolarHBondContact CB-OE2 3.33Å; M88-E90 PolarHBondContact O-N 2.85Å; E90-V92 PolarHBondContact O-N 3.31Å; E90-I96 HydrophobicContact CB-CD1 4.27Å; E90-I96 HydrophobicContact CG-CG2 4.45Å
91	T	77.3	Confident	84.5	Confident	47 Å²	47	67 Å²	67	29%	0.288	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-61.6	-31.1	177.1	-54.2	0	0	0	0	111.9	M83 F84 S86 M88 S89	M83-T91 PolarHBondContact O-OG1 3.36Å; F84-T91 WeakPolarHBondContact O-CG2 3.45Å; S86-T91 PolarHBondContact O-OG1 2.63Å; M88-T91 WeakPolarHBondContact O-CB 3.31Å; M88-T91 PolarHBondContact O-N 2.79Å; M88-T91 PolarHBondContact O-OG1 3.24Å; S89-T91 PolarHBondContact O-N 2.88Å
92	V	80.2	Confident	84.2	Confident	130 Å²	130	66.3 Å²	66.3	79%	0.788	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-21.4	-175.9	-169	0	0	0	0	112.4	S89 E90 S94	S89-V92 PolarHBondContact O-N 3.27Å; E90-V92 PolarHBondContact O-N 3.31Å; V92-S94 PolarHBondContact O-N 2.9Å
93	K	85	Confident	84.1	Confident	73 Å²	73	63.5 Å²	63.5	32%	0.317	34%	0.337	S	S	.	.			trans	-62.9	128.4	-179.3	-76.4	-176	-179.8	-174	0	111.2	E56 R70 S89 S95 I96	E56-K93 IonicContact OE1-NZ 2.96Å; E56-K93 PolarHBondContact OE1-NZ 2.89Å; E56-K93 VanDerWaalsContact OE1-NZ 3.08Å; R70-K93 PolarHBondContact NH2-O 3.38Å; S89-K93 WeakPolarHBondContact O-CG 3.44Å; S89-K93 PolarHBondContact O-N 3.38Å; K93-S95 VanDerWaalsContact C-N 3.28Å; K93-I96 HydrophobicContact CB-CG1 4.23Å
94	S	85.3	Confident	83.9	Confident	81 Å²	81	64.3 Å²	64.3	57%	0.566	35%	0.35	S	S	*	.	S	Bend	trans	-74.1	-21.2	172.2	58.9	0	0	0	0	113	V41 T42 V92	V41-S94 CarbonylContact C-O 3.57Å; T42-S94 PolarHBondContact N-O 3.2Å; V92-S94 PolarHBondContact O-N 2.9Å
95	S	88.5	Confident	83.9	Confident	54 Å²	54	63.7 Å²	63.7	38%	0.378	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125	179	-55.7	0	0	0	0	109.8	T42 K93	T42-S95 CarbonylContact O-C 3.44Å; T42-S95 VanDerWaalsContact O-CA 3.26Å; T42-S95 WeakPolarHBondContact O-CA 3.22Å; K93-S95 VanDerWaalsContact C-N 3.28Å
96	I	89.5	Confident	84.1	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.3	-175.5	-57.8	179.5	0	0	0	108.1	V41 T42 L43 L44 M83 F84 E90 K93 M98	V41-I96 HydrophobicContact CG2-CD1 3.89Å; V41-I96 HydrophobicContact CG2-CG1 4.14Å; T42-I96 PolarHBondContact O-N 3.01Å; L43-I96 CarbonylContact C-O 3.6Å; L43-I96 WeakPolarHBondContact CA-O 3.48Å; L43-I96 HydrophobicContact CD2-CB 4.23Å; L44-I96 PolarHBondContact N-O 3.33Å; M83-I96 HydrophobicContact CE-CD1 3.46Å; M83-I96 VanDerWaalsContact CE-CD1 3.46Å; M83-I96 HydrophobicContact CE-CG2 4.34Å; M83-I96 HydrophobicContact SD-CD1 4.39Å; M83-I96 HydrophobicContact SD-CG2 4.26Å; F84-I96 HydrophobicContact CE1-CD1 3.71Å; F84-I96 HydrophobicContact CZ-CD1 4.36Å; E90-I96 HydrophobicContact CB-CD1 4.27Å; E90-I96 HydrophobicContact CG-CG2 4.45Å; K93-I96 HydrophobicContact CB-CG1 4.23Å; I96-M98 HydrophobicContact CG2-SD 4.49Å
97	F	86.6	Confident	84.5	Confident	41 Å²	41	58.7 Å²	58.7	18%	0.18	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.6	177.6	-170	-89.7	0	0	0	110.6	L44 H46 I59 A63 H99	L44-F97 HydrophobicContact CB-CB 4.42Å; L44-F97 HydrophobicContact CB-CD2 3.73Å; L44-F97 HydrophobicContact CB-CG 4.49Å; L44-F97 CarbonylContact O-C 3.56Å; L44-F97 WeakPolarHBondContact O-CA 3.5Å; L44-F97 WeakPolarHBondContact O-CD2 3.45Å; H46-F97 AromaticContact CD2-CZ 3.65Å; H46-F97 AromaticContact NE2-CZ 3.95Å; I59-F97 HydrophobicContact CG2-CD1 3.6Å; I59-F97 HydrophobicContact CG2-CD2 3.57Å; I59-F97 HydrophobicContact CG2-CE1 3.32Å; I59-F97 HydrophobicContact CG2-CE2 3.29Å; I59-F97 HydrophobicContact CG2-CG 3.72Å; I59-F97 HydrophobicContact CG2-CZ 3.16Å; A63-F97 HydrophobicContact CB-CE2 4.07Å; F97-H99 AromaticContact CD1-CE1 3.42Å; F97-H99 VanDerWaalsContact CD1-CE1 3.42Å; F97-H99 WeakPolarHBondContact CD1-CE1 3.34Å; F97-H99 AromaticContact CD1-CG 3.94Å; F97-H99 AromaticContact CD1-ND1 3.52Å; F97-H99 AromaticContact CD1-NE2 3.78Å; F97-H99 AromaticContact CE1-CE1 3.73Å; F97-H99 AromaticContact CE1-ND1 3.43Å; F97-H99 WeakPolarHBondContact CE1-ND1 3.29Å
98	M	86.2	Confident	85.1	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.025	30%	0.299	C	S	.	.			trans	-98.9	107.6	177.8	-64.2	-60.7	-62.2	0	0	108.8	L43 L44 Y79 F80 I96 L106 L144	L43-M98 HydrophobicContact CB-CG 4.38Å; L44-M98 PolarHBondContact O-N 3.37Å; Y79-M98 HydrophobicContact CE1-CE 3.9Å; Y79-M98 HydrophobicContact CE1-SD 4.42Å; F80-M98 HydrophobicContact CE1-CE 4.29Å; F80-M98 HydrophobicContact CE1-SD 4.04Å; F80-M98 HydrophobicContact CZ-CE 4.09Å; F80-M98 HydrophobicContact CZ-SD 4.23Å; I96-M98 HydrophobicContact CG2-SD 4.49Å; M98-L106 HydrophobicContact CB-CD2 3.92Å; M98-L106 HydrophobicContact CG-CD2 3.76Å; M98-L144 HydrophobicContact CE-CD2 3.75Å
99	H	82.1	Confident	85.7	Confident	79 Å²	79	45.5 Å²	45.5	37%	0.366	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	152.9	174.8	-61.5	-76.7	0	0	0	111.1	F97 V101	F97-H99 AromaticContact CD1-CE1 3.42Å; F97-H99 VanDerWaalsContact CD1-CE1 3.42Å; F97-H99 WeakPolarHBondContact CD1-CE1 3.34Å; F97-H99 AromaticContact CD1-CG 3.94Å; F97-H99 AromaticContact CD1-ND1 3.52Å; F97-H99 AromaticContact CD1-NE2 3.78Å; F97-H99 AromaticContact CE1-CE1 3.73Å; F97-H99 AromaticContact CE1-ND1 3.43Å; F97-H99 WeakPolarHBondContact CE1-ND1 3.29Å; H99-V101 PolarHBondContact O-N 3.01Å
100	C	79.5	Confident	86.6	Confident	71 Å²	71	42.4 Å²	42.4	48%	0.48	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	15.2	172.2	-52.7	0	0	0	0	116.3
101	V	85	Confident	87.3	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.024	25%	0.245	C	C	.	.			trans	-124.2	131.2	176.6	-173.3	0	0	0	0	110.5	H99 I105 L106 A140 L143	H99-V101 PolarHBondContact O-N 3.01Å; V101-I105 HydrophobicContact CG1-CG2 4.42Å; V101-L106 HydrophobicContact CG1-CB 3.82Å; V101-L106 HydrophobicContact CG1-CD1 4.44Å; V101-A140 HydrophobicContact CG1-CB 3.77Å; V101-A140 HydrophobicContact CG2-CB 4.07Å; V101-L143 HydrophobicContact CG2-CD2 3.68Å
102	N	86.3	Confident	88.1	Confident	40 Å²	40	40.5 Å²	40.5	21%	0.214	24%	0.238	C	C	.	.			trans	-65.8	135.9	172.6	-172.5	-61.5	0	0	0	111	R47 G104 I105 L106	R47-N102 PolarHBondContact O-ND2 3.49Å; N102-G104 VanDerWaalsContact C-N 3.33Å; N102-G104 PolarHBondContact O-N 2.94Å; N102-G104 PolarHBondContact OD1-N 3.02Å; N102-I105 HydrophobicContact CB-CB 4.14Å; N102-I105 HydrophobicContact CB-CD1 3.93Å; N102-I105 HydrophobicContact CB-CG1 4.09Å; N102-I105 PolarHBondContact O-N 3.29Å; N102-I105 VanDerWaalsContact O-N 3.13Å; N102-L106 WeakPolarHBondContact O-CB 3.48Å; N102-L106 PolarHBondContact O-N 3.34Å
103	A	87.6	Confident	88.8	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-53	-43.1	177.9	0	0	0	0	0	114.4	A45 H46 V64 I66 I105 L106 E107	A45-A103 HydrophobicContact CB-CB 4.15Å; H46-A103 WeakPolarHBondContact O-CB 3.26Å; H46-A103 PolarHBondContact O-N 3.31Å; V64-A103 HydrophobicContact CB-CB 3.79Å; V64-A103 HydrophobicContact CG1-CB 4.44Å; V64-A103 HydrophobicContact CG2-CB 4Å; I66-A103 WeakPolarHBondContact CD1-O 3.49Å; A103-I105 VanDerWaalsContact C-N 3.35Å; A103-L106 PolarHBondContact O-N 3.3Å; A103-E107 WeakPolarHBondContact O-CB 3.26Å; A103-E107 PolarHBondContact O-N 2.75Å
104	G	87.3	Confident	89.2	Confident	36 Å²	36	32 Å²	32	37%	0.371	19%	0.19	S	C	.	.	H	α-helix	trans	-68.9	-34	-180	0	0	0	0	0	113	N102 S108	N102-G104 VanDerWaalsContact C-N 3.33Å; N102-G104 PolarHBondContact O-N 2.94Å; N102-G104 PolarHBondContact OD1-N 3.02Å; G104-S108 PolarHBondContact O-N 3.2Å; G104-S108 VanDerWaalsContact O-N 3.1Å; G104-S108 PolarHBondContact O-OG 3.38Å
105	I	89.2	Confident	89.5	Confident	15 Å²	15	30.1 Å²	30.1	8%	0.077	18%	0.175	C	C	.	.	H	α-helix	trans	-72.3	-44.5	175.7	-67.5	175.8	0	0	0	110.1	V101 N102 A103 E107 S108 L109 D136 L137 A140	V101-I105 HydrophobicContact CG1-CG2 4.42Å; N102-I105 HydrophobicContact CB-CB 4.14Å; N102-I105 HydrophobicContact CB-CD1 3.93Å; N102-I105 HydrophobicContact CB-CG1 4.09Å; N102-I105 PolarHBondContact O-N 3.29Å; N102-I105 VanDerWaalsContact O-N 3.13Å; A103-I105 VanDerWaalsContact C-N 3.35Å; I105-E107 VanDerWaalsContact C-N 3.28Å; I105-E107 PolarHBondContact O-N 2.92Å; I105-S108 WeakPolarHBondContact O-CB 3.38Å; I105-S108 PolarHBondContact O-N 2.93Å; I105-S108 VanDerWaalsContact O-N 3.16Å; I105-L109 HydrophobicContact CG2-CD1 3.92Å; I105-L109 HydrophobicContact CG2-CG 4.38Å; I105-L109 WeakPolarHBondContact O-CG 3.31Å; I105-L109 PolarHBondContact O-N 3.04Å; I105-D136 HydrophobicContact CD1-CB 3.22Å; I105-L137 HydrophobicContact CG2-CB 4.36Å; I105-L137 HydrophobicContact CG2-CD1 3.82Å; I105-A140 HydrophobicContact CG2-CB 3.86Å
106	L	92.1	Very high	89.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-42.2	175.4	-175.6	58.2	0	0	0	111.1	L43 A45 I66 M98 V101 N102 A103 L109 V110 L144	L43-L106 HydrophobicContact CB-CD2 4.07Å; L43-L106 HydrophobicContact CD1-CD1 4.34Å; A45-L106 HydrophobicContact CB-CD2 3.69Å; I66-L106 HydrophobicContact CD1-CB 3.83Å; I66-L106 HydrophobicContact CD1-CD2 3.84Å; I66-L106 HydrophobicContact CD1-CG 3.71Å; M98-L106 HydrophobicContact CB-CD2 3.92Å; M98-L106 HydrophobicContact CG-CD2 3.76Å; V101-L106 HydrophobicContact CG1-CB 3.82Å; V101-L106 HydrophobicContact CG1-CD1 4.44Å; N102-L106 WeakPolarHBondContact O-CB 3.48Å; N102-L106 PolarHBondContact O-N 3.34Å; A103-L106 PolarHBondContact O-N 3.3Å; L106-L109 PolarHBondContact O-N 3.27Å; L106-V110 HydrophobicContact CD1-CG2 4.45Å; L106-V110 WeakPolarHBondContact O-CB 3.42Å; L106-V110 VanDerWaalsContact O-CG2 3.26Å; L106-V110 WeakPolarHBondContact O-CG2 3.42Å; L106-V110 PolarHBondContact O-N 3.42Å; L106-L144 HydrophobicContact CD1-CD1 4.46Å
107	E	92.3	Very high	89.6	Confident	83 Å²	83	36.8 Å²	36.8	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-43.9	176	-176.9	162.4	-141.3	0	0	111.8	R33 I66 A103 I105 L109 V110 D111	R33-E107 IonicContact NH2-OE1 3.43Å; I66-E107 HydrophobicContact CD1-CB 3.91Å; I66-E107 HydrophobicContact CG1-CB 4.36Å; A103-E107 WeakPolarHBondContact O-CB 3.26Å; A103-E107 PolarHBondContact O-N 2.75Å; I105-E107 VanDerWaalsContact C-N 3.28Å; I105-E107 PolarHBondContact O-N 2.92Å; E107-L109 PolarHBondContact O-N 3.34Å; E107-V110 PolarHBondContact O-N 2.78Å; E107-D111 PolarHBondContact O-N 3.48Å
108	S	91.5	Very high	89.8	Confident	57 Å²	57	36.8 Å²	36.8	40%	0.399	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-39.8	176.6	-57.6	0	0	0	0	112.6	G104 I105 D111 F112	G104-S108 PolarHBondContact O-N 3.2Å; G104-S108 VanDerWaalsContact O-N 3.1Å; G104-S108 PolarHBondContact O-OG 3.38Å; I105-S108 WeakPolarHBondContact O-CB 3.38Å; I105-S108 PolarHBondContact O-N 2.93Å; I105-S108 VanDerWaalsContact O-N 3.16Å; S108-D111 PolarHBondContact O-N 3.32Å; S108-F112 PolarHBondContact O-N 3.34Å
109	L	93.8	Very high	89.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-39.7	175.8	-70.3	171	0	0	0	111.4	I105 L106 E107 F112 M113 I118 L137 A140 L144 M146 V149	I105-L109 HydrophobicContact CG2-CD1 3.92Å; I105-L109 HydrophobicContact CG2-CG 4.38Å; I105-L109 WeakPolarHBondContact O-CG 3.31Å; I105-L109 PolarHBondContact O-N 3.04Å; L106-L109 PolarHBondContact O-N 3.27Å; E107-L109 PolarHBondContact O-N 3.34Å; L109-F112 WeakPolarHBondContact O-CB 3.42Å; L109-F112 PolarHBondContact O-N 2.85Å; L109-M113 HydrophobicContact CB-CE 4.35Å; L109-M113 WeakPolarHBondContact O-CE 3.35Å; L109-M113 WeakPolarHBondContact O-CG 3.31Å; L109-M113 PolarHBondContact O-N 3.5Å; L109-I118 HydrophobicContact CD2-CD1 4.1Å; L109-L137 HydrophobicContact CD1-CD1 4.36Å; L109-L137 HydrophobicContact CD2-CD1 3.74Å; L109-L137 HydrophobicContact CG-CD1 4.03Å; L109-A140 HydrophobicContact CD1-CB 3.65Å; L109-L144 HydrophobicContact CD1-CD1 3.95Å; L109-M146 HydrophobicContact CB-SD 4.41Å; L109-M146 HydrophobicContact CD2-CE 4.14Å; L109-M146 HydrophobicContact CD2-SD 3.99Å; L109-V149 HydrophobicContact CD2-CG1 4.02Å
110	V	94.6	Very high	89.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-45.3	172.7	171.7	0	0	0	0	109.9	L43 I66 A68 L73 L106 E107 F112 M113 Y114	L43-V110 HydrophobicContact CD1-CG2 3.98Å; I66-V110 HydrophobicContact CG2-CB 4.44Å; I66-V110 HydrophobicContact CG2-CG1 4.35Å; I66-V110 HydrophobicContact CG2-CG2 4.35Å; A68-V110 HydrophobicContact CB-CG1 4.37Å; L73-V110 HydrophobicContact CD2-CG1 4.46Å; L73-V110 HydrophobicContact CD2-CG2 4.27Å; L106-V110 HydrophobicContact CD1-CG2 4.45Å; L106-V110 WeakPolarHBondContact O-CB 3.42Å; L106-V110 VanDerWaalsContact O-CG2 3.26Å; L106-V110 WeakPolarHBondContact O-CG2 3.42Å; L106-V110 PolarHBondContact O-N 3.42Å; E107-V110 PolarHBondContact O-N 2.78Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.22Å; V110-M113 HydrophobicContact CG2-CE 4.12Å; V110-M113 WeakPolarHBondContact O-CB 3.34Å; V110-M113 PolarHBondContact O-N 2.63Å; V110-Y114 HydrophobicContact CG1-CD2 4.21Å; V110-Y114 HydrophobicContact CG1-CE2 4.06Å; V110-Y114 VanDerWaalsContact O-CD2 3.31Å; V110-Y114 WeakPolarHBondContact O-CD2 3.48Å; V110-Y114 PolarHBondContact O-N 3.15Å
111	D	93.4	Very high	89.5	Confident	38 Å²	38	41 Å²	41	20%	0.203	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-37.3	175.4	-79.4	-25.5	0	0	0	112.7	I30 R33 E107 S108 M113 Y114 T115	I30-D111 HydrophobicContact CD1-CB 4.28Å; I30-D111 VanDerWaalsContact CD1-OD1 3.31Å; I30-D111 WeakPolarHBondContact CD1-OD1 3.38Å; R33-D111 IonicContact CZ-OD1 2.91Å; R33-D111 VanDerWaalsContact CZ-OD1 3.22Å; R33-D111 IonicContact NE-OD1 3.53Å; R33-D111 PolarHBondContact NE-OD1 2.97Å; R33-D111 IonicContact NH2-OD1 3.91Å; R33-D111 PolarHBondContact NH2-OD1 3.44Å; R33-D111 IonicContact NH2-OD2 3.22Å; E107-D111 PolarHBondContact O-N 3.48Å; S108-D111 PolarHBondContact O-N 3.32Å; D111-M113 PolarHBondContact O-N 2.92Å; D111-Y114 PolarHBondContact O-N 3.21Å; D111-T115 WeakPolarHBondContact O-CB 3.43Å; D111-T115 WeakPolarHBondContact O-CG2 3.43Å; D111-T115 PolarHBondContact O-N 3.09Å; D111-T115 PolarHBondContact O-OG1 3.49Å
112	F	94.2	Very high	88.5	Confident	32 Å²	32	45.9 Å²	45.9	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-42.6	170.9	173.1	-89.9	0	0	0	112	S108 L109 V110 Y114 T115 G116 I118 M146 V149	S108-F112 PolarHBondContact O-N 3.34Å; L109-F112 WeakPolarHBondContact O-CB 3.42Å; L109-F112 PolarHBondContact O-N 2.85Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.22Å; F112-Y114 PolarHBondContact O-N 2.9Å; F112-Y114 VanDerWaalsContact O-N 3.15Å; F112-T115 PolarHBondContact O-N 2.82Å; F112-G116 WeakPolarHBondContact O-CA 3.43Å; F112-G116 PolarHBondContact O-N 3.05Å; F112-I118 HydrophobicContact CB-CB 4.32Å; F112-I118 HydrophobicContact CD2-CB 3.84Å; F112-I118 HydrophobicContact CD2-CG2 4.04Å; F112-I118 HydrophobicContact CE2-CG2 4.42Å; F112-I118 HydrophobicContact CG-CB 4.42Å; F112-M146 HydrophobicContact CD1-CE 3.23Å; F112-M146 HydrophobicContact CE1-CE 3.61Å; F112-M146 HydrophobicContact CG-CE 4.28Å; F112-V149 HydrophobicContact CD1-CG2 3.77Å; F112-V149 HydrophobicContact CD2-CG2 4.08Å; F112-V149 HydrophobicContact CE1-CG2 3.56Å; F112-V149 HydrophobicContact CE2-CG2 3.91Å; F112-V149 HydrophobicContact CG-CG2 4.01Å; F112-V149 HydrophobicContact CZ-CG2 3.64Å
113	M	94.7	Very high	86.8	Confident	11 Å²	11	52 Å²	52	5%	0.054	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-23.9	177.6	-69.4	176.1	-123.5	0	0	113.5	L73 S76 C77 F80 L109 V110 D111 L144 M146	L73-M113 HydrophobicContact CD2-CE 4.23Å; L73-M113 HydrophobicContact CD2-SD 3.45Å; L73-M113 WeakPolarHBondContact CD2-SD 3.38Å; S76-M113 PolarHBondContact OG-O 2.99Å; C77-M113 HydrophobicContact CB-SD 3.85Å; F80-M113 HydrophobicContact CD2-CE 4.28Å; F80-M113 HydrophobicContact CD2-SD 4.13Å; F80-M113 HydrophobicContact CE2-CE 3.81Å; F80-M113 HydrophobicContact CE2-SD 4.23Å; L109-M113 HydrophobicContact CB-CE 4.35Å; L109-M113 WeakPolarHBondContact O-CE 3.35Å; L109-M113 WeakPolarHBondContact O-CG 3.31Å; L109-M113 PolarHBondContact O-N 3.5Å; V110-M113 HydrophobicContact CG2-CE 4.12Å; V110-M113 WeakPolarHBondContact O-CB 3.34Å; V110-M113 PolarHBondContact O-N 2.63Å; D111-M113 PolarHBondContact O-N 2.92Å; M113-L144 HydrophobicContact CE-CD1 4.4Å; M113-M146 HydrophobicContact CE-CE 4.46Å; M113-M146 HydrophobicContact CE-SD 4.17Å; M113-M146 HydrophobicContact CG-CE 4.13Å
114	Y	94	Very high	84.4	Confident	13 Å²	13	58.4 Å²	58.4	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-90.2	-35	175.6	-81.5	-96.9	0	0	0	113.4	S26 L29 R33 H69 V72 V110 D111 F112	S26-Y114 WeakPolarHBondContact CB-O 3.17Å; L29-Y114 HydrophobicContact CB-CD1 3.72Å; L29-Y114 HydrophobicContact CB-CE1 3.99Å; R33-Y114 HydrophobicContact CB-CE1 4.22Å; R33-Y114 VanDerWaalsContact CD-CE2 3.45Å; R33-Y114 HydrophobicContact CG-CE2 4.3Å; H69-Y114 VanDerWaalsContact CB-OH 3.28Å; H69-Y114 WeakPolarHBondContact CB-OH 3.28Å; H69-Y114 PolarHBondContact N-OH 3.34Å; H69-Y114 AromaticContact ND1-CE1 3.96Å; H69-Y114 AromaticContact ND1-CZ 3.74Å; H69-Y114 PolarHBondContact ND1-OH 3.32Å; V72-Y114 HydrophobicContact CB-CE1 4.11Å; V72-Y114 HydrophobicContact CB-CE2 4.2Å; V72-Y114 HydrophobicContact CG1-CD1 4.06Å; V72-Y114 HydrophobicContact CG1-CD2 3.96Å; V72-Y114 HydrophobicContact CG1-CE1 3.84Å; V72-Y114 HydrophobicContact CG1-CE2 3.74Å; V72-Y114 HydrophobicContact CG1-CG 4.1Å; V72-Y114 HydrophobicContact CG2-CE1 3.87Å; V110-Y114 HydrophobicContact CG1-CD2 4.21Å; V110-Y114 HydrophobicContact CG1-CE2 4.06Å; V110-Y114 VanDerWaalsContact O-CD2 3.31Å; V110-Y114 WeakPolarHBondContact O-CD2 3.48Å; V110-Y114 PolarHBondContact O-N 3.15Å; D111-Y114 PolarHBondContact O-N 3.21Å; F112-Y114 PolarHBondContact O-N 2.9Å; F112-Y114 VanDerWaalsContact O-N 3.15Å
115	T	91.6	Very high	82.1	Confident	42 Å²	42	59.1 Å²	59.1	26%	0.258	32%	0.322	S	S	.	.	H	α-helix	trans	-112.4	-18.2	-166.3	62.8	0	0	0	0	114.6	I30 D111 F112 K117	I30-T115 HydrophobicContact CB-CG2 4.34Å; I30-T115 HydrophobicContact CD1-CG2 3.55Å; I30-T115 HydrophobicContact CG2-CG2 4.4Å; D111-T115 WeakPolarHBondContact O-CB 3.43Å; D111-T115 WeakPolarHBondContact O-CG2 3.43Å; D111-T115 PolarHBondContact O-N 3.09Å; D111-T115 PolarHBondContact O-OG1 3.49Å; F112-T115 PolarHBondContact O-N 2.82Å; T115-K117 PolarHBondContact O-N 3.46Å; T115-K117 PolarHBondContact OG1-N 3.32Å; T115-K117 PolarHBondContact OG1-O 3.15Å
116	G	90.2	Very high	79.8	Confident	53 Å²	53	67.3 Å²	67.3	55%	0.546	36%	0.36	S	S	.	.	S	Bend	trans	67	15.8	-169.1	0	0	0	0	0	113.8	F112	F112-G116 WeakPolarHBondContact O-CA 3.43Å; F112-G116 PolarHBondContact O-N 3.05Å
117	K	90.1	Very high	77.2	Confident	149 Å²	149	75.5 Å²	75.5	65%	0.648	40%	0.396	S	S	*	.			trans	-125.3	132.1	-176.2	-64.8	178.8	-177	176.6	0	110.8	T115	T115-K117 PolarHBondContact O-N 3.46Å; T115-K117 PolarHBondContact OG1-N 3.32Å; T115-K117 PolarHBondContact OG1-O 3.15Å
118	I	89.8	Confident	74.7	Confident	40 Å²	40	75.4 Å²	75.4	21%	0.205	42%	0.417	C	S	.	.			trans	-133.2	131.8	172.3	-167.1	165.5	0	0	0	109.1	L109 F112 L137 V149	L109-I118 HydrophobicContact CD2-CD1 4.1Å; F112-I118 HydrophobicContact CB-CB 4.32Å; F112-I118 HydrophobicContact CD2-CB 3.84Å; F112-I118 HydrophobicContact CD2-CG2 4.04Å; F112-I118 HydrophobicContact CE2-CG2 4.42Å; F112-I118 HydrophobicContact CG-CB 4.42Å; I118-L137 HydrophobicContact CD1-CD1 3.84Å; I118-L137 HydrophobicContact CD1-CD2 4.08Å; I118-V149 HydrophobicContact CD1-CG1 3.8Å
119	T	85.3	Confident	72.3	Confident	122 Å²	122	77.8 Å²	77.8	75%	0.748	42%	0.422	S	S	*	.			trans	-98	112.7	179.1	-53	0	0	0	0	108.6	T121	T119-T121 HydrophobicContact CG2-CG2 3.7Å
120	I	82.6	Confident	70.2	Confident	38 Å²	38	81.1 Å²	81.1	20%	0.195	44%	0.442	C	S	.	.			trans	-95.4	106	173.5	-55.8	171.5	0	0	0	107	L134 L137 A152 F156	I120-L134 HydrophobicContact CG2-CD1 3.82Å; I120-L137 HydrophobicContact CG1-CD2 4.44Å; I120-A152 HydrophobicContact CD1-CB 4.29Å; I120-F156 HydrophobicContact CB-CD2 4.41Å; I120-F156 HydrophobicContact CD1-CB 4.43Å; I120-F156 HydrophobicContact CG2-CB 4.32Å; I120-F156 HydrophobicContact CG2-CD1 3.71Å; I120-F156 HydrophobicContact CG2-CD2 3.95Å; I120-F156 HydrophobicContact CG2-CE1 3.89Å; I120-F156 HydrophobicContact CG2-CE2 4.13Å; I120-F156 HydrophobicContact CG2-CG 3.72Å; I120-F156 HydrophobicContact CG2-CZ 4.09Å
121	T	72.9	Confident	68.2	Low	83 Å²	83	83.6 Å²	83.6	51%	0.509	46%	0.462	S	S	.	.			trans	-99.1	148.2	179.4	59.6	0	0	0	0	111.6	T119 E123	T119-T121 HydrophobicContact CG2-CG2 3.7Å; T121-E123 PolarHBondContact OG1-O 3.44Å
122	Q	64.9	Low	66.4	Low	108 Å²	108	85.4 Å²	85.4	51%	0.505	47%	0.472	S	S	.	.	S	Bend	trans	-75	-33.2	165.3	-67.3	178.3	-28.2	0	0	111.3	N124 F156 Q160	Q122-N124 PolarHBondContact O-N 3.23Å; Q122-F156 HydrophobicContact CG-CZ 3.76Å; Q122-Q160 VanDerWaalsContact NE2-NE2 3.14Å
123	E	50.2	Low	65.1	Low	167 Å²	167	87.2 Å²	87.2	78%	0.78	49%	0.485	S	S	*	.			trans	-86	98.4	-172.4	-68.4	-177.3	163.9	0	0	110.3	T121	T121-E123 PolarHBondContact OG1-O 3.44Å
124	N	37.7	Very low	64	Low	139 Å²	139	87.7 Å²	87.7	74%	0.743	49%	0.488	S	S	*	.	S	Bend	trans	-166	33.8	148.4	-97.8	-19	0	0	0	113.6	Q122	Q122-N124 PolarHBondContact O-N 3.23Å
125	V	38.3	Very low	63	Low	52 Å²	52	89.6 Å²	89.6	32%	0.315	50%	0.497	S	S	.	.			trans	-148.3	117.3	164.9	-162.8	0	0	0	0	113.2	F127 H129 V130 V133	V125-F127 WeakPolarHBondContact CG1-O 3.49Å; V125-F127 PolarHBondContact O-N 3.4Å; V125-H129 HydrophobicContact CB-CB 4.07Å; V125-H129 HydrophobicContact CG1-CB 3.51Å; V125-H129 VanDerWaalsContact CG2-C 3.45Å; V125-H129 HydrophobicContact CG2-CB 3.72Å; V125-H129 WeakPolarHBondContact CG2-O 3.47Å; V125-V130 HydrophobicContact CB-CG2 4.45Å; V125-V133 HydrophobicContact CG2-CG2 4.37Å
126	Q	40.7	Very low	62.5	Low	186 Å²	186	90.8 Å²	90.8	87%	0.869	50%	0.502	S	S	*	.	S	Bend	trans	-72.7	4	173.6	-166.7	160.9	-15.3	0	0	114.5
127	F	38	Very low	62.3	Low	172 Å²	172	89 Å²	89	75%	0.754	48%	0.48	S	S	*	.	S	Bend	trans	-156.4	87.8	-180	-85.7	-86	0	0	0	110.1	V125 H129	V125-F127 WeakPolarHBondContact CG1-O 3.49Å; V125-F127 PolarHBondContact O-N 3.4Å; F127-H129 PolarHBondContact O-CD2 3.46Å; F127-H129 PolarHBondContact O-N 2.86Å
128	G	39.1	Very low	62.1	Low	81 Å²	81	82 Å²	82	84%	0.835	45%	0.45	S	S	*	.	S	Bend	trans	58.5	-2.7	160.6	0	0	0	0	0	120.5
129	H	42.7	Very low	61.8	Low	107 Å²	107	82.1 Å²	82.1	50%	0.495	45%	0.454	S	S	.	.			trans	-97.4	17	-174.6	-70.9	-145	0	0	0	114.7	V125 F127 A131 L132	V125-H129 HydrophobicContact CB-CB 4.07Å; V125-H129 HydrophobicContact CG1-CB 3.51Å; V125-H129 VanDerWaalsContact CG2-C 3.45Å; V125-H129 HydrophobicContact CG2-CB 3.72Å; V125-H129 WeakPolarHBondContact CG2-O 3.47Å; F127-H129 PolarHBondContact O-CD2 3.46Å; F127-H129 PolarHBondContact O-N 2.86Å; H129-A131 PolarHBondContact O-N 2.72Å; H129-A131 VanDerWaalsContact O-N 3.07Å; H129-L132 HydrophobicContact CB-CB 4.41Å; H129-L132 HydrophobicContact CB-CD1 4.29Å; H129-L132 HydrophobicContact CB-CG 4.22Å; H129-L132 WeakPolarHBondContact ND1-CD1 3.45Å; H129-L132 PolarHBondContact O-N 2.96Å
130	V	49.9	Very low	62	Low	70 Å²	70	76.4 Å²	76.4	42%	0.424	42%	0.419	S	S	.	.	H	α-helix	trans	-55.7	-29.5	177.9	177.8	0	0	0	0	111.3	V125	V125-V130 HydrophobicContact CB-CG2 4.45Å
131	A	51.5	Low	62.4	Low	52 Å²	52	74.6 Å²	74.6	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-62.1	-45.8	172.6	0	0	0	0	0	112.6	H129 V133 L134 Q135	H129-A131 PolarHBondContact O-N 2.72Å; H129-A131 VanDerWaalsContact O-N 3.07Å; A131-V133 PolarHBondContact O-N 3.42Å; A131-L134 PolarHBondContact O-N 3.27Å; A131-Q135 WeakPolarHBondContact O-CB 3.4Å; A131-Q135 WeakPolarHBondContact O-CG 3.48Å; A131-Q135 PolarHBondContact O-N 2.95Å
132	L	56.2	Low	63.1	Low	76 Å²	76	73.8 Å²	73.8	40%	0.398	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-40.2	-170.4	-61.9	-167.6	0	0	0	113.7	H129 L134 Q135 D136	H129-L132 HydrophobicContact CB-CB 4.41Å; H129-L132 HydrophobicContact CB-CD1 4.29Å; H129-L132 HydrophobicContact CB-CG 4.22Å; H129-L132 WeakPolarHBondContact ND1-CD1 3.45Å; H129-L132 PolarHBondContact O-N 2.96Å; L132-L134 PolarHBondContact O-N 3.23Å; L132-Q135 VanDerWaalsContact CD2-OE1 3.26Å; L132-Q135 PolarHBondContact O-N 2.86Å; L132-D136 WeakPolarHBondContact O-CB 3.47Å; L132-D136 VanDerWaalsContact O-CG 3.3Å; L132-D136 PolarHBondContact O-N 2.91Å
133	V	65.7	Low	64.3	Low	71 Å²	71	72.2 Å²	72.2	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-67.6	-41.5	-177.1	-179	0	0	0	0	111.3	V125 A131 D136 L137	V125-V133 HydrophobicContact CG2-CG2 4.37Å; A131-V133 PolarHBondContact O-N 3.42Å; V133-D136 PolarHBondContact O-N 3.28Å; V133-L137 PolarHBondContact O-N 2.84Å
134	L	73.6	Confident	66.2	Low	20 Å²	20	64.3 Å²	64.3	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-72.1	-33.3	177.5	-171.4	58.1	0	0	0	111.5	I120 A131 L132 L137 L138 C153 F156 L157	I120-L134 HydrophobicContact CG2-CD1 3.82Å; A131-L134 PolarHBondContact O-N 3.27Å; L132-L134 PolarHBondContact O-N 3.23Å; L134-L137 HydrophobicContact CD1-CD2 4.14Å; L134-L137 PolarHBondContact O-N 2.85Å; L134-L138 PolarHBondContact O-N 3.38Å; L134-C153 HydrophobicContact CD1-CB 4.09Å; L134-F156 HydrophobicContact CD2-CD1 3.66Å; L134-F156 HydrophobicContact CD2-CE1 4.09Å; L134-L157 HydrophobicContact CD2-CD1 4.43Å; L134-L157 HydrophobicContact CD2-CD2 3.38Å; L134-L157 HydrophobicContact CD2-CG 3.71Å; L134-L157 HydrophobicContact CG-CD2 4.35Å
135	Q	72.6	Confident	68.8	Low	54 Å²	54	63 Å²	63	25%	0.252	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-45	171.6	-70	173.5	-13.9	0	0	111.6	A131 L132 L137 L138 S139 F172	A131-Q135 WeakPolarHBondContact O-CB 3.4Å; A131-Q135 WeakPolarHBondContact O-CG 3.48Å; A131-Q135 PolarHBondContact O-N 2.95Å; L132-Q135 VanDerWaalsContact CD2-OE1 3.26Å; L132-Q135 PolarHBondContact O-N 2.86Å; Q135-L137 VanDerWaalsContact C-N 3.31Å; Q135-L137 PolarHBondContact O-N 3.23Å; Q135-L138 PolarHBondContact O-N 3.1Å; Q135-S139 VanDerWaalsContact O-CB 3.32Å; Q135-S139 WeakPolarHBondContact O-CB 3.07Å; Q135-S139 PolarHBondContact O-N 2.78Å; Q135-S139 PolarHBondContact O-OG 3.2Å; Q135-F172 HydrophobicContact CB-CD2 4.45Å; Q135-F172 HydrophobicContact CB-CE2 3.69Å; Q135-F172 HydrophobicContact CB-CZ 4.09Å; Q135-F172 HydrophobicContact CG-CD2 3.71Å; Q135-F172 HydrophobicContact CG-CE1 4.47Å; Q135-F172 HydrophobicContact CG-CE2 3.35Å; Q135-F172 HydrophobicContact CG-CG 4.42Å; Q135-F172 HydrophobicContact CG-CZ 3.76Å
136	D	80.2	Confident	71.3	Confident	66 Å²	66	61 Å²	61	35%	0.353	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-39.1	175.4	-72.4	-13.7	0	0	0	111.1	I105 L132 V133 A140	I105-D136 HydrophobicContact CD1-CB 3.22Å; L132-D136 WeakPolarHBondContact O-CB 3.47Å; L132-D136 VanDerWaalsContact O-CG 3.3Å; L132-D136 PolarHBondContact O-N 2.91Å; V133-D136 PolarHBondContact O-N 3.28Å; D136-A140 VanDerWaalsContact O-CB 3.22Å; D136-A140 WeakPolarHBondContact O-CB 3.01Å; D136-A140 PolarHBondContact O-N 3.08Å
137	L	87	Confident	73.7	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-45.3	176.4	177	61.6	0	0	0	111.6	I105 L109 I118 I120 V133 L134 Q135 A140 A141 V149	I105-L137 HydrophobicContact CG2-CB 4.36Å; I105-L137 HydrophobicContact CG2-CD1 3.82Å; L109-L137 HydrophobicContact CD1-CD1 4.36Å; L109-L137 HydrophobicContact CD2-CD1 3.74Å; L109-L137 HydrophobicContact CG-CD1 4.03Å; I118-L137 HydrophobicContact CD1-CD1 3.84Å; I118-L137 HydrophobicContact CD1-CD2 4.08Å; I120-L137 HydrophobicContact CG1-CD2 4.44Å; V133-L137 PolarHBondContact O-N 2.84Å; L134-L137 HydrophobicContact CD1-CD2 4.14Å; L134-L137 PolarHBondContact O-N 2.85Å; Q135-L137 VanDerWaalsContact C-N 3.31Å; Q135-L137 PolarHBondContact O-N 3.23Å; L137-A140 PolarHBondContact O-N 3.08Å; L137-A141 VanDerWaalsContact O-CB 3.29Å; L137-A141 WeakPolarHBondContact O-CB 3.33Å; L137-A141 PolarHBondContact O-N 3.32Å; L137-V149 HydrophobicContact CD1-CG1 4.4Å
138	L	85.3	Confident	76.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-44.6	177.1	-166.8	80.4	0	0	0	111.1	L134 Q135 A140 A141 D142 R150 C153 F172 H176	L134-L138 PolarHBondContact O-N 3.38Å; Q135-L138 PolarHBondContact O-N 3.1Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 3.27Å; L138-A141 PolarHBondContact O-N 2.99Å; L138-D142 WeakPolarHBondContact O-CB 3.32Å; L138-D142 PolarHBondContact O-N 3.11Å; L138-R150 HydrophobicContact CD1-CB 4.25Å; L138-R150 HydrophobicContact CD1-CG 3.57Å; L138-R150 HydrophobicContact CG-CG 4.32Å; L138-C153 HydrophobicContact CD1-CB 3.54Å; L138-F172 HydrophobicContact CB-CZ 4.01Å; L138-F172 HydrophobicContact CD2-CE1 3.37Å; L138-F172 HydrophobicContact CD2-CE2 4.43Å; L138-F172 HydrophobicContact CD2-CZ 3.29Å; L138-F172 HydrophobicContact CG-CZ 4.25Å; L138-H176 HydrophobicContact CD2-CB 4.14Å
139	S	84.6	Confident	78.8	Confident	42 Å²	42	50.6 Å²	50.6	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-42.8	178.1	-58.8	0	0	0	0	111.5	Q135 D142 L143 H176	Q135-S139 VanDerWaalsContact O-CB 3.32Å; Q135-S139 WeakPolarHBondContact O-CB 3.07Å; Q135-S139 PolarHBondContact O-N 2.78Å; Q135-S139 PolarHBondContact O-OG 3.2Å; S139-D142 PolarHBondContact O-N 3.31Å; S139-L143 WeakPolarHBondContact O-CB 3.44Å; S139-L143 PolarHBondContact O-N 3.08Å; S139-H176 PolarHBondContact OG-CE1 2.89Å
140	A	88.9	Confident	80.9	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-39.9	175.6	0	0	0	0	0	112.3	V101 I105 L109 D136 L137 L138 D142 L143 L144	V101-A140 HydrophobicContact CG1-CB 3.77Å; V101-A140 HydrophobicContact CG2-CB 4.07Å; I105-A140 HydrophobicContact CG2-CB 3.86Å; L109-A140 HydrophobicContact CD1-CB 3.65Å; D136-A140 VanDerWaalsContact O-CB 3.22Å; D136-A140 WeakPolarHBondContact O-CB 3.01Å; D136-A140 PolarHBondContact O-N 3.08Å; L137-A140 PolarHBondContact O-N 3.08Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 3.27Å; A140-D142 VanDerWaalsContact C-N 3.34Å; A140-L143 PolarHBondContact O-N 2.88Å; A140-L144 WeakPolarHBondContact O-CB 3.37Å; A140-L144 VanDerWaalsContact O-CG 3.3Å; A140-L144 WeakPolarHBondContact O-CG 3.49Å; A140-L144 PolarHBondContact O-N 2.87Å
141	A	90.1	Very high	82.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-39.6	175.5	0	0	0	0	0	111.5	L137 L138 L144 Q145 M146 V149	L137-A141 VanDerWaalsContact O-CB 3.29Å; L137-A141 WeakPolarHBondContact O-CB 3.33Å; L137-A141 PolarHBondContact O-N 3.32Å; L138-A141 PolarHBondContact O-N 2.99Å; A141-L144 CarbonylContact O-C 3.55Å; A141-L144 PolarHBondContact O-N 3.46Å; A141-Q145 PolarHBondContact O-N 3.34Å; A141-M146 HydrophobicContact CB-CB 4.37Å; A141-M146 PolarHBondContact O-N 3.27Å; A141-V149 HydrophobicContact CB-CB 4.18Å; A141-V149 HydrophobicContact CB-CG1 3.96Å
142	D	87.9	Confident	84.6	Confident	67 Å²	67	47.8 Å²	47.8	36%	0.358	25%	0.253	S	S	.	.	H	α-helix	trans	-69.1	-45.4	176.9	-165	62.4	0	0	0	112	L138 S139 A140 L144 Q145 R150	L138-D142 WeakPolarHBondContact O-CB 3.32Å; L138-D142 PolarHBondContact O-N 3.11Å; S139-D142 PolarHBondContact O-N 3.31Å; A140-D142 VanDerWaalsContact C-N 3.34Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 PolarHBondContact O-N 3.36Å; D142-Q145 WeakPolarHBondContact O-CA 3.5Å; D142-Q145 PolarHBondContact O-N 2.85Å; D142-R150 IonicContact OD1-NH1 3.39Å; D142-R150 PolarHBondContact OD1-NH1 2.78Å
143	L	89.6	Confident	86	Confident	75 Å²	75	44.2 Å²	44.2	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-54.9	-42.4	173.5	178.4	66.5	0	0	0	112	V101 S139 A140 Q145	V101-L143 HydrophobicContact CG2-CD2 3.68Å; S139-L143 WeakPolarHBondContact O-CB 3.44Å; S139-L143 PolarHBondContact O-N 3.08Å; A140-L143 PolarHBondContact O-N 2.88Å; L143-Q145 VanDerWaalsContact C-N 3.29Å
144	L	91.4	Very high	87	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.6	178.3	-64.2	-177.6	0	0	0	113.7	C77 Y79 F80 M98 L106 L109 M113 A140 A141 D142 M146	C77-L144 PolarHBondContact SG-O 3.46Å; Y79-L144 HydrophobicContact CD1-CD2 3.66Å; Y79-L144 HydrophobicContact CE1-CD2 4.24Å; Y79-L144 HydrophobicContact CG-CD2 4.01Å; F80-L144 HydrophobicContact CE2-CD1 4.36Å; F80-L144 HydrophobicContact CE2-CD2 4Å; F80-L144 HydrophobicContact CZ-CD2 4.02Å; M98-L144 HydrophobicContact CE-CD2 3.75Å; L106-L144 HydrophobicContact CD1-CD1 4.46Å; L109-L144 HydrophobicContact CD1-CD1 3.95Å; M113-L144 HydrophobicContact CE-CD1 4.4Å; A140-L144 WeakPolarHBondContact O-CB 3.37Å; A140-L144 VanDerWaalsContact O-CG 3.3Å; A140-L144 WeakPolarHBondContact O-CG 3.49Å; A140-L144 PolarHBondContact O-N 2.87Å; A141-L144 CarbonylContact O-C 3.55Å; A141-L144 PolarHBondContact O-N 3.46Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 PolarHBondContact O-N 3.36Å; L144-M146 VanDerWaalsContact C-N 3.28Å; L144-M146 HydrophobicContact CB-CG 3.91Å; L144-M146 HydrophobicContact CB-SD 3.95Å; L144-M146 HydrophobicContact CD1-SD 4.06Å; L144-M146 PolarHBondContact O-N 3.01Å
145	Q	91.4	Very high	87.6	Confident	113 Å²	113	44.1 Å²	44.1	53%	0.528	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	37.8	-178.2	-56.5	176.6	31.3	0	0	113.5	P78 A141 D142 L143 T147	P78-Q145 HydrophobicContact CB-CB 4.27Å; P78-Q145 HydrophobicContact CG-CB 4.32Å; A141-Q145 PolarHBondContact O-N 3.34Å; D142-Q145 WeakPolarHBondContact O-CA 3.5Å; D142-Q145 PolarHBondContact O-N 2.85Å; L143-Q145 VanDerWaalsContact C-N 3.29Å; Q145-T147 PolarHBondContact O-N 3.45Å
146	M	92.2	Very high	88.3	Confident	10 Å²	10	43.5 Å²	43.5	5%	0.049	23%	0.229	C	C	.	.			trans	-91.5	81.7	179.3	-63.9	178.3	71.3	0	0	110.5	L109 F112 M113 A141 L144 E148 V149 R150	L109-M146 HydrophobicContact CB-SD 4.41Å; L109-M146 HydrophobicContact CD2-CE 4.14Å; L109-M146 HydrophobicContact CD2-SD 3.99Å; F112-M146 HydrophobicContact CD1-CE 3.23Å; F112-M146 HydrophobicContact CE1-CE 3.61Å; F112-M146 HydrophobicContact CG-CE 4.28Å; M113-M146 HydrophobicContact CE-CE 4.46Å; M113-M146 HydrophobicContact CE-SD 4.17Å; M113-M146 HydrophobicContact CG-CE 4.13Å; A141-M146 HydrophobicContact CB-CB 4.37Å; A141-M146 PolarHBondContact O-N 3.27Å; L144-M146 VanDerWaalsContact C-N 3.28Å; L144-M146 HydrophobicContact CB-CG 3.91Å; L144-M146 HydrophobicContact CB-SD 3.95Å; L144-M146 HydrophobicContact CD1-SD 4.06Å; L144-M146 PolarHBondContact O-N 3.01Å; M146-E148 PolarHBondContact O-N 3.13Å; M146-V149 HydrophobicContact CB-CB 4.3Å; M146-V149 HydrophobicContact CB-CG2 4.38Å; M146-V149 HydrophobicContact CE-CG2 3.92Å; M146-V149 PolarHBondContact O-N 2.89Å; M146-R150 PolarHBondContact O-N 3.1Å
147	T	90.7	Very high	88.5	Confident	70 Å²	70	41.2 Å²	41.2	43%	0.429	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-36.5	-173.1	57.6	0	0	0	0	113.9	Q145 R150 N151	Q145-T147 PolarHBondContact O-N 3.45Å; T147-R150 PolarHBondContact O-N 3.28Å; T147-N151 WeakPolarHBondContact O-CB 3.45Å; T147-N151 PolarHBondContact O-N 2.94Å; T147-N151 PolarHBondContact O-OD1 2.94Å
148	E	91.3	Very high	88.4	Confident	148 Å²	148	42.8 Å²	42.8	69%	0.692	22%	0.224	S	C	*	.	H	α-helix	trans	-65.3	-42.3	179.2	-66.4	-179.5	95.5	0	0	111.9	M146 A152	M146-E148 PolarHBondContact O-N 3.13Å; E148-A152 WeakPolarHBondContact O-CB 3.31Å; E148-A152 PolarHBondContact O-N 3.16Å
149	V	91.5	Very high	88.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-42.2	176.3	178.8	0	0	0	0	110.4	L109 F112 I118 L137 A141 M146 N151 A152 C153	L109-V149 HydrophobicContact CD2-CG1 4.02Å; F112-V149 HydrophobicContact CD1-CG2 3.77Å; F112-V149 HydrophobicContact CD2-CG2 4.08Å; F112-V149 HydrophobicContact CE1-CG2 3.56Å; F112-V149 HydrophobicContact CE2-CG2 3.91Å; F112-V149 HydrophobicContact CG-CG2 4.01Å; F112-V149 HydrophobicContact CZ-CG2 3.64Å; I118-V149 HydrophobicContact CD1-CG1 3.8Å; L137-V149 HydrophobicContact CD1-CG1 4.4Å; A141-V149 HydrophobicContact CB-CB 4.18Å; A141-V149 HydrophobicContact CB-CG1 3.96Å; M146-V149 HydrophobicContact CB-CB 4.3Å; M146-V149 HydrophobicContact CB-CG2 4.38Å; M146-V149 HydrophobicContact CE-CG2 3.92Å; M146-V149 PolarHBondContact O-N 2.89Å; V149-N151 PolarHBondContact O-N 2.87Å; V149-A152 PolarHBondContact O-N 2.83Å; V149-C153 PolarHBondContact O-N 3.46Å; V149-C153 PolarHBondContact O-SG 3.21Å
150	R	88.6	Confident	88.2	Confident	62 Å²	62	53.7 Å²	53.7	23%	0.234	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-49.5	176	-172.6	-172.5	61.2	-142.6	-2.2	111.3	L138 D142 M146 T147 C153 C154	L138-R150 HydrophobicContact CD1-CB 4.25Å; L138-R150 HydrophobicContact CD1-CG 3.57Å; L138-R150 HydrophobicContact CG-CG 4.32Å; D142-R150 IonicContact OD1-NH1 3.39Å; D142-R150 PolarHBondContact OD1-NH1 2.78Å; M146-R150 PolarHBondContact O-N 3.1Å; T147-R150 PolarHBondContact O-N 3.28Å; R150-C153 WeakPolarHBondContact O-CB 3.39Å; R150-C153 PolarHBondContact O-N 3.35Å; R150-C154 PolarHBondContact O-N 2.78Å; R150-C154 PolarHBondContact O-SG 3.41Å; R150-C154 VanDerWaalsContact O-SG 3.39Å
151	N	89	Confident	88	Confident	72 Å²	72	54.6 Å²	54.6	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-42.3	179.2	-66.9	3.4	0	0	0	111.5	T147 V149 C153 C154 D155	T147-N151 WeakPolarHBondContact O-CB 3.45Å; T147-N151 PolarHBondContact O-N 2.94Å; T147-N151 PolarHBondContact O-OD1 2.94Å; V149-N151 PolarHBondContact O-N 2.87Å; N151-C153 VanDerWaalsContact C-N 3.28Å; N151-C153 PolarHBondContact O-N 3.47Å; N151-C154 WeakPolarHBondContact O-CB 3.28Å; N151-C154 PolarHBondContact O-N 3.33Å; N151-C154 VanDerWaalsContact O-N 3.13Å; N151-D155 PolarHBondContact O-N 2.92Å
152	A	88.5	Confident	87.9	Confident	37 Å²	37	56.2 Å²	56.2	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-34.5	175.3	0	0	0	0	0	113	I120 E148 V149 F156	I120-A152 HydrophobicContact CD1-CB 4.29Å; E148-A152 WeakPolarHBondContact O-CB 3.31Å; E148-A152 PolarHBondContact O-N 3.16Å; V149-A152 PolarHBondContact O-N 2.83Å; A152-F156 WeakPolarHBondContact O-CB 3.34Å; A152-F156 PolarHBondContact O-N 2.95Å; A152-F156 VanDerWaalsContact O-N 3.08Å
153	C	86.8	Confident	87.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-43	172.9	-65.5	0	0	0	0	111.5	L134 L138 V149 R150 N151 F156 L157	L134-C153 HydrophobicContact CD1-CB 4.09Å; L138-C153 HydrophobicContact CD1-CB 3.54Å; V149-C153 PolarHBondContact O-N 3.46Å; V149-C153 PolarHBondContact O-SG 3.21Å; R150-C153 WeakPolarHBondContact O-CB 3.39Å; R150-C153 PolarHBondContact O-N 3.35Å; N151-C153 VanDerWaalsContact C-N 3.28Å; N151-C153 PolarHBondContact O-N 3.47Å; C153-F156 PolarHBondContact O-N 3.39Å; C153-L157 WeakPolarHBondContact O-CG 3.47Å; C153-L157 PolarHBondContact O-N 2.98Å
154	C	86.2	Confident	87.8	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.081	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-49.3	173.8	-67.2	0	0	0	0	111.6	R150 N151 F156 L157 E158 L181	R150-C154 PolarHBondContact O-N 2.78Å; R150-C154 PolarHBondContact O-SG 3.41Å; R150-C154 VanDerWaalsContact O-SG 3.39Å; N151-C154 WeakPolarHBondContact O-CB 3.28Å; N151-C154 PolarHBondContact O-N 3.33Å; N151-C154 VanDerWaalsContact O-N 3.13Å; C154-F156 PolarHBondContact O-N 2.99Å; C154-L157 WeakPolarHBondContact O-CB 3.43Å; C154-L157 PolarHBondContact O-N 3.48Å; C154-E158 WeakPolarHBondContact O-CG 3.09Å; C154-E158 PolarHBondContact O-N 2.94Å; C154-L181 HydrophobicContact CB-CB 4.46Å
155	D	86.3	Confident	87.5	Confident	78 Å²	78	58 Å²	58	42%	0.417	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-38.5	177	-71.7	-4.1	0	0	0	112.1	N151 R159	N151-D155 PolarHBondContact O-N 2.92Å; D155-R159 WeakPolarHBondContact O-CG 3.27Å; D155-R159 PolarHBondContact O-N 3.32Å
156	F	86.6	Confident	87.3	Confident	41 Å²	41	52.6 Å²	52.6	18%	0.18	27%	0.267	C	S	.	.	H	α-helix	trans	-67.9	-43.7	176.1	-175.9	-92.4	0	0	0	111.4	I120 Q122 L134 A152 C153 C154 E158 R159 Q160	I120-F156 HydrophobicContact CB-CD2 4.41Å; I120-F156 HydrophobicContact CD1-CB 4.43Å; I120-F156 HydrophobicContact CG2-CB 4.32Å; I120-F156 HydrophobicContact CG2-CD1 3.71Å; I120-F156 HydrophobicContact CG2-CD2 3.95Å; I120-F156 HydrophobicContact CG2-CE1 3.89Å; I120-F156 HydrophobicContact CG2-CE2 4.13Å; I120-F156 HydrophobicContact CG2-CG 3.72Å; I120-F156 HydrophobicContact CG2-CZ 4.09Å; Q122-F156 HydrophobicContact CG-CZ 3.76Å; L134-F156 HydrophobicContact CD2-CD1 3.66Å; L134-F156 HydrophobicContact CD2-CE1 4.09Å; A152-F156 WeakPolarHBondContact O-CB 3.34Å; A152-F156 PolarHBondContact O-N 2.95Å; A152-F156 VanDerWaalsContact O-N 3.08Å; C153-F156 PolarHBondContact O-N 3.39Å; C154-F156 PolarHBondContact O-N 2.99Å; F156-E158 VanDerWaalsContact C-N 3.34Å; F156-E158 PolarHBondContact O-N 3.18Å; F156-R159 PolarHBondContact O-N 3.1Å; F156-Q160 HydrophobicContact CD1-CG 4.18Å; F156-Q160 HydrophobicContact CE1-CG 3.84Å; F156-Q160 HydrophobicContact CZ-CG 4.13Å; F156-Q160 WeakPolarHBondContact O-CG 3.18Å; F156-Q160 PolarHBondContact O-N 3.39Å
157	L	84.6	Confident	87.2	Confident	18 Å²	18	52.3 Å²	52.3	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-40.4	176	-73.9	175	0	0	0	112.1	L134 C153 C154 R159 Q160 M161 L169 F172 L181	L134-L157 HydrophobicContact CD2-CD1 4.43Å; L134-L157 HydrophobicContact CD2-CD2 3.38Å; L134-L157 HydrophobicContact CD2-CG 3.71Å; L134-L157 HydrophobicContact CG-CD2 4.35Å; C153-L157 WeakPolarHBondContact O-CG 3.47Å; C153-L157 PolarHBondContact O-N 2.98Å; C154-L157 WeakPolarHBondContact O-CB 3.43Å; C154-L157 PolarHBondContact O-N 3.48Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 2.94Å; L157-Q160 PolarHBondContact O-N 3.22Å; L157-Q160 VanDerWaalsContact O-N 3.15Å; L157-M161 PolarHBondContact O-N 2.89Å; L157-L169 HydrophobicContact CD1-CD2 4.4Å; L157-L169 HydrophobicContact CD2-CD2 3.65Å; L157-L169 HydrophobicContact CG-CD2 4.46Å; L157-F172 HydrophobicContact CD1-CD1 4.34Å; L157-F172 HydrophobicContact CD1-CE1 3.86Å; L157-L181 HydrophobicContact CB-CD1 4.07Å; L157-L181 HydrophobicContact CB-CD2 4.13Å; L157-L181 HydrophobicContact CD1-CD2 3.71Å
158	E	85.3	Confident	87	Confident	49 Å²	49	51.7 Å²	51.7	23%	0.229	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-42.7	175.7	-72.3	-175.1	-172.1	0	0	111.9	C154 F156 Q160 M161 L181 Y184	C154-E158 WeakPolarHBondContact O-CG 3.09Å; C154-E158 PolarHBondContact O-N 2.94Å; F156-E158 VanDerWaalsContact C-N 3.34Å; F156-E158 PolarHBondContact O-N 3.18Å; E158-Q160 VanDerWaalsContact C-N 3.28Å; E158-Q160 PolarHBondContact O-N 2.91Å; E158-M161 WeakPolarHBondContact O-CB 3.36Å; E158-M161 PolarHBondContact O-N 3.27Å; E158-L181 HydrophobicContact CG-CD1 3.56Å; E158-Y184 HydrophobicContact CB-CD1 4.29Å; E158-Y184 HydrophobicContact CB-CE1 4.24Å; E158-Y184 HydrophobicContact CG-CD1 3.96Å; E158-Y184 HydrophobicContact CG-CE1 4.41Å; E158-Y184 HydrophobicContact CG-CG 4.27Å
159	R	83.9	Confident	86.8	Confident	197 Å²	197	45.4 Å²	45.4	74%	0.743	24%	0.235	S	C	*	.	H	α-helix	trans	-68.8	-23.9	177.6	-68.5	174.2	-169.9	169	7.2	113.9	D155 F156 L157	D155-R159 WeakPolarHBondContact O-CG 3.27Å; D155-R159 PolarHBondContact O-N 3.32Å; F156-R159 PolarHBondContact O-N 3.1Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 2.94Å
160	Q	82.5	Confident	86.6	Confident	76 Å²	76	45.8 Å²	45.8	36%	0.355	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	6.6	179.7	-62.2	-54.9	-48.9	0	0	113	Q122 F156 L157 E158 S162 N165	Q122-Q160 VanDerWaalsContact NE2-NE2 3.14Å; F156-Q160 HydrophobicContact CD1-CG 4.18Å; F156-Q160 HydrophobicContact CE1-CG 3.84Å; F156-Q160 HydrophobicContact CZ-CG 4.13Å; F156-Q160 WeakPolarHBondContact O-CG 3.18Å; F156-Q160 PolarHBondContact O-N 3.39Å; L157-Q160 PolarHBondContact O-N 3.22Å; L157-Q160 VanDerWaalsContact O-N 3.15Å; E158-Q160 VanDerWaalsContact C-N 3.28Å; E158-Q160 PolarHBondContact O-N 2.91Å; Q160-S162 PolarHBondContact O-N 3.36Å; Q160-N165 PolarHBondContact O-ND2 2.88Å
161	M	84.2	Confident	86.5	Confident	20 Å²	20	47.3 Å²	47.3	10%	0.099	25%	0.248	C	C	.	.			trans	-64.9	130.5	-177.4	-162.2	160.4	-56.6	0	0	111.7	L157 E158 C166 L169 L181 Y184 A185 Y188	L157-M161 PolarHBondContact O-N 2.89Å; E158-M161 WeakPolarHBondContact O-CB 3.36Å; E158-M161 PolarHBondContact O-N 3.27Å; M161-C166 HydrophobicContact CG-CB 4.2Å; M161-L169 HydrophobicContact CE-CD1 4.48Å; M161-L181 HydrophobicContact CE-CD1 3.98Å; M161-Y184 HydrophobicContact CE-CD1 3.45Å; M161-Y184 VanDerWaalsContact CE-CD1 3.45Å; M161-Y184 HydrophobicContact CE-CE1 3.87Å; M161-Y184 HydrophobicContact SD-CD1 3.67Å; M161-Y184 HydrophobicContact SD-CE1 3.78Å; M161-A185 HydrophobicContact CE-CB 3.94Å; M161-A185 HydrophobicContact SD-CB 4.09Å; M161-Y188 HydrophobicContact CG-CD1 4Å; M161-Y188 HydrophobicContact CG-CD2 4.04Å; M161-Y188 HydrophobicContact CG-CE1 4.29Å; M161-Y188 HydrophobicContact CG-CE2 4.31Å; M161-Y188 HydrophobicContact CG-CG 3.88Å; M161-Y188 VanDerWaalsContact SD-CB 3.54Å; M161-Y188 HydrophobicContact SD-CD1 4.21Å; M161-Y188 HydrophobicContact SD-CD2 4.08Å; M161-Y188 HydrophobicContact SD-CG 3.68Å
162	S	87.5	Confident	86.2	Confident	35 Å²	35	44.7 Å²	44.7	25%	0.245	23%	0.233	C	C	.	.			trans	-144.1	162.4	-179.5	67.6	0	0	0	0	110.2	Q160 T164 N165 C166 Y188	Q160-S162 PolarHBondContact O-N 3.36Å; S162-T164 PolarHBondContact O-N 3.1Å; S162-T164 PolarHBondContact OG-OG1 3.47Å; S162-T164 VanDerWaalsContact OG-OG1 3.12Å; S162-N165 PolarHBondContact N-OD1 3.41Å; S162-N165 PolarHBondContact O-N 2.98Å; S162-N165 VanDerWaalsContact O-N 3.13Å; S162-N165 PolarHBondContact O-OD1 3.25Å; S162-N165 PolarHBondContact OG-ND2 3.28Å; S162-N165 PolarHBondContact OG-OD1 3.47Å; S162-C166 VanDerWaalsContact O-CB 3.28Å; S162-C166 WeakPolarHBondContact O-CB 3.34Å; S162-C166 PolarHBondContact O-N 3.06Å; S162-Y188 WeakPolarHBondContact CA-OH 3.15Å
163	V	88.7	Confident	86.1	Confident	28 Å²	28	42.9 Å²	42.9	17%	0.17	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.1	176.9	-179.8	0	0	0	0	111.9	N165 C166 Y188 H192 Q195 V196 T199	V163-N165 VanDerWaalsContact C-N 3.34Å; V163-N165 PolarHBondContact O-N 3.49Å; V163-C166 PolarHBondContact O-SG 2.82Å; V163-Y188 HydrophobicContact CG2-CE1 4.48Å; V163-Y188 PolarHBondContact N-OH 3.26Å; V163-H192 HydrophobicContact CG2-CB 4.34Å; V163-Q195 HydrophobicContact CB-CB 4.4Å; V163-Q195 HydrophobicContact CG1-CB 3.55Å; V163-Q195 HydrophobicContact CG2-CB 3.95Å; V163-Q195 VanDerWaalsContact CG2-OE1 3.32Å; V163-V196 HydrophobicContact CG1-CG2 4.03Å; V163-T199 HydrophobicContact CG1-CG2 4.03Å
164	T	86.4	Confident	86.1	Confident	106 Å²	106	47.1 Å²	47.1	65%	0.65	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.2	-176.4	49.4	0	0	0	0	114.4	S162	S162-T164 PolarHBondContact O-N 3.1Å; S162-T164 PolarHBondContact OG-OG1 3.47Å; S162-T164 VanDerWaalsContact OG-OG1 3.12Å
165	N	84.4	Confident	85.9	Confident	44 Å²	44	52 Å²	52	24%	0.235	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-13.8	-176.4	68.7	18	0	0	0	114.1	Q160 S162 V163 L167 S168 L169	Q160-N165 PolarHBondContact O-ND2 2.88Å; S162-N165 PolarHBondContact N-OD1 3.41Å; S162-N165 PolarHBondContact O-N 2.98Å; S162-N165 VanDerWaalsContact O-N 3.13Å; S162-N165 PolarHBondContact O-OD1 3.25Å; S162-N165 PolarHBondContact OG-ND2 3.28Å; S162-N165 PolarHBondContact OG-OD1 3.47Å; V163-N165 VanDerWaalsContact C-N 3.34Å; V163-N165 PolarHBondContact O-N 3.49Å; N165-L167 PolarHBondContact O-N 2.95Å; N165-S168 PolarHBondContact O-N 3.39Å; N165-L169 HydrophobicContact CB-CD1 4.33Å; N165-L169 HydrophobicContact CB-CG 4.44Å; N165-L169 WeakPolarHBondContact O-CB 3.48Å; N165-L169 WeakPolarHBondContact O-CG 3.24Å; N165-L169 PolarHBondContact O-N 3.1Å; N165-L169 WeakPolarHBondContact OD1-CD1 3.36Å
166	C	89.1	Confident	85.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-41.5	-170.3	59.7	0	0	0	0	113.9	M161 S162 V163 L169 K170 Y188 I189	M161-C166 HydrophobicContact CG-CB 4.2Å; S162-C166 VanDerWaalsContact O-CB 3.28Å; S162-C166 WeakPolarHBondContact O-CB 3.34Å; S162-C166 PolarHBondContact O-N 3.06Å; V163-C166 PolarHBondContact O-SG 2.82Å; C166-L169 PolarHBondContact O-N 3.34Å; C166-K170 PolarHBondContact O-N 2.88Å; C166-Y188 HydrophobicContact CB-CD1 3.7Å; C166-Y188 HydrophobicContact CB-CE1 4.08Å; C166-I189 HydrophobicContact CB-CD1 4.37Å; C166-I189 HydrophobicContact CB-CG1 3.81Å; C166-I189 VanDerWaalsContact SG-CG1 3.57Å
167	L	90.1	Very high	85.5	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-51.7	177.2	-71.4	173	0	0	0	111.4	N165 L169 K170 M171 I189 V196 D201 F202 I205 Y209	N165-L167 PolarHBondContact O-N 2.95Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.85Å; L167-K170 PolarHBondContact O-N 3.46Å; L167-M171 PolarHBondContact O-N 3.33Å; L167-I189 HydrophobicContact CD2-CD1 3.96Å; L167-I189 HydrophobicContact CD2-CG1 4.28Å; L167-I189 HydrophobicContact CD2-CG2 4.21Å; L167-V196 HydrophobicContact CD1-CG1 3.55Å; L167-V196 HydrophobicContact CD2-CG1 3.92Å; L167-V196 HydrophobicContact CG-CG1 3.67Å; L167-D201 HydrophobicContact CB-CB 4.31Å; L167-D201 HydrophobicContact CD1-CB 3.78Å; L167-F202 HydrophobicContact CD1-CB 4.08Å; L167-I205 HydrophobicContact CD1-CG2 4.31Å; L167-I205 HydrophobicContact CD2-CG2 4.07Å; L167-Y209 HydrophobicContact CD2-CE1 3.88Å
168	S	85.3	Confident	85.5	Confident	58 Å²	58	52.7 Å²	52.7	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-39.7	176.9	-72.1	0	0	0	0	112	N165 F172 D201	N165-S168 PolarHBondContact O-N 3.39Å; S168-F172 VanDerWaalsContact O-CB 3.24Å; S168-F172 WeakPolarHBondContact O-CB 3.49Å; S168-F172 PolarHBondContact O-N 2.95Å; S168-D201 PolarHBondContact OG-OD2 2.6Å
169	L	86.5	Confident	85.6	Confident	16 Å²	16	55.8 Å²	55.8	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-38.3	176.7	-71.6	178.9	0	0	0	113.1	L157 M161 N165 C166 L167 F172 A173	L157-L169 HydrophobicContact CD1-CD2 4.4Å; L157-L169 HydrophobicContact CD2-CD2 3.65Å; L157-L169 HydrophobicContact CG-CD2 4.46Å; M161-L169 HydrophobicContact CE-CD1 4.48Å; N165-L169 HydrophobicContact CB-CD1 4.33Å; N165-L169 HydrophobicContact CB-CG 4.44Å; N165-L169 WeakPolarHBondContact O-CB 3.48Å; N165-L169 WeakPolarHBondContact O-CG 3.24Å; N165-L169 PolarHBondContact O-N 3.1Å; N165-L169 WeakPolarHBondContact OD1-CD1 3.36Å; C166-L169 PolarHBondContact O-N 3.34Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.85Å; L169-F172 PolarHBondContact O-N 2.88Å; L169-A173 WeakPolarHBondContact O-CB 3.03Å; L169-A173 PolarHBondContact O-N 3.41Å
170	K	88	Confident	85.7	Confident	9 Å²	9	53.4 Å²	53.4	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-50.2	175.7	-171.5	-177.1	-172.8	-76.6	0	111.1	C166 L167 F172 A173 E174 A185 I189 Y209	C166-K170 PolarHBondContact O-N 2.88Å; L167-K170 PolarHBondContact O-N 3.46Å; K170-F172 VanDerWaalsContact C-N 3.25Å; K170-F172 PolarHBondContact O-N 3.48Å; K170-A173 WeakPolarHBondContact O-CB 3.26Å; K170-A173 PolarHBondContact O-N 3.01Å; K170-A173 VanDerWaalsContact O-N 3.1Å; K170-E174 IonicContact NZ-OE1 2.63Å; K170-E174 PolarHBondContact NZ-OE1 3.06Å; K170-E174 WeakPolarHBondContact O-CG 3.46Å; K170-E174 PolarHBondContact O-N 3.36Å; K170-A185 HydrophobicContact CB-CB 3.75Å; K170-A185 HydrophobicContact CG-CB 4.23Å; K170-I189 HydrophobicContact CB-CD1 3.92Å; K170-I189 HydrophobicContact CD-CD1 3.82Å; K170-I189 HydrophobicContact CG-CD1 4.48Å; K170-Y209 HydrophobicContact CD-CE1 4.4Å; K170-Y209 HydrophobicContact CD-CE2 3.74Å; K170-Y209 WeakPolarHBondContact CD-OH 3.34Å; K170-Y209 VanDerWaalsContact CE-CE2 3.48Å
171	M	86.6	Confident	85.9	Confident	94 Å²	94	49.9 Å²	49.9	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-42.6	177.7	-71.4	-178.4	63.3	0	0	111.3	L167 E174 V175	L167-M171 PolarHBondContact O-N 3.33Å; M171-E174 PolarHBondContact O-N 2.84Å; M171-V175 WeakPolarHBondContact O-CG2 3.46Å; M171-V175 PolarHBondContact O-N 2.84Å; M171-V175 VanDerWaalsContact O-N 3.08Å
172	F	82.2	Confident	86.1	Confident	16 Å²	16	49.8 Å²	49.8	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-47.3	174.8	170.9	-102.3	0	0	0	112.1	Q135 L138 L157 S168 L169 K170 E174 V175 H176	Q135-F172 HydrophobicContact CB-CD2 4.45Å; Q135-F172 HydrophobicContact CB-CE2 3.69Å; Q135-F172 HydrophobicContact CB-CZ 4.09Å; Q135-F172 HydrophobicContact CG-CD2 3.71Å; Q135-F172 HydrophobicContact CG-CE1 4.47Å; Q135-F172 HydrophobicContact CG-CE2 3.35Å; Q135-F172 HydrophobicContact CG-CG 4.42Å; Q135-F172 HydrophobicContact CG-CZ 3.76Å; L138-F172 HydrophobicContact CB-CZ 4.01Å; L138-F172 HydrophobicContact CD2-CE1 3.37Å; L138-F172 HydrophobicContact CD2-CE2 4.43Å; L138-F172 HydrophobicContact CD2-CZ 3.29Å; L138-F172 HydrophobicContact CG-CZ 4.25Å; L157-F172 HydrophobicContact CD1-CD1 4.34Å; L157-F172 HydrophobicContact CD1-CE1 3.86Å; S168-F172 VanDerWaalsContact O-CB 3.24Å; S168-F172 WeakPolarHBondContact O-CB 3.49Å; S168-F172 PolarHBondContact O-N 2.95Å; L169-F172 PolarHBondContact O-N 2.88Å; K170-F172 VanDerWaalsContact C-N 3.25Å; K170-F172 PolarHBondContact O-N 3.48Å; F172-E174 PolarHBondContact O-N 3.42Å; F172-V175 PolarHBondContact O-N 3.39Å; F172-H176 AromaticContact CD2-CD2 3.33Å; F172-H176 WeakPolarHBondContact CD2-CD2 3.41Å; F172-H176 AromaticContact CD2-NE2 3.56Å; F172-H176 AromaticContact CE2-CD2 3.01Å; F172-H176 WeakPolarHBondContact CE2-CD2 3.27Å; F172-H176 AromaticContact CE2-NE2 3.07Å; F172-H176 WeakPolarHBondContact CE2-NE2 3.42Å; F172-H176 AromaticContact CZ-CD2 3.54Å; F172-H176 AromaticContact CZ-NE2 3.91Å; F172-H176 PolarHBondContact O-CD2 3.5Å; F172-H176 VanDerWaalsContact O-CD2 3.27Å; F172-H176 PolarHBondContact O-N 3.15Å; F172-H176 VanDerWaalsContact O-N 3.08Å
173	A	86.3	Confident	86.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-33.5	178.1	0	0	0	0	0	112.4	L169 K170 S177 C178 L181	L169-A173 WeakPolarHBondContact O-CB 3.03Å; L169-A173 PolarHBondContact O-N 3.41Å; K170-A173 WeakPolarHBondContact O-CB 3.26Å; K170-A173 PolarHBondContact O-N 3.01Å; K170-A173 VanDerWaalsContact O-N 3.1Å; A173-S177 CarbonylContact O-C 3.59Å; A173-S177 PolarHBondContact O-N 2.99Å; A173-C178 HydrophobicContact CB-CB 4.13Å; A173-C178 PolarHBondContact O-N 2.84Å; A173-L181 HydrophobicContact CB-CB 4.1Å; A173-L181 HydrophobicContact CB-CD2 3.9Å; A173-L181 HydrophobicContact CB-CG 3.86Å
174	E	87	Confident	86	Confident	88 Å²	88	54.3 Å²	54.3	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-69.2	-45.3	174.5	-71	173.3	170.9	0	0	112.8	K170 M171 F172 H176 S177	K170-E174 IonicContact NZ-OE1 2.63Å; K170-E174 PolarHBondContact NZ-OE1 3.06Å; K170-E174 WeakPolarHBondContact O-CG 3.46Å; K170-E174 PolarHBondContact O-N 3.36Å; M171-E174 PolarHBondContact O-N 2.84Å; F172-E174 PolarHBondContact O-N 3.42Å; E174-H176 PolarHBondContact O-N 3.04Å; E174-S177 PolarHBondContact O-N 3.42Å; E174-S177 VanDerWaalsContact O-N 3.08Å
175	V	82.9	Confident	86.1	Confident	114 Å²	114	49.2 Å²	49.2	69%	0.691	28%	0.277	S	S	*	.	H	α-helix	trans	-58.2	-39.3	176.8	171.4	0	0	0	0	111.2	M171 F172	M171-V175 WeakPolarHBondContact O-CG2 3.46Å; M171-V175 PolarHBondContact O-N 2.84Å; M171-V175 VanDerWaalsContact O-N 3.08Å; F172-V175 PolarHBondContact O-N 3.39Å
176	H	80.6	Confident	86.3	Confident	41 Å²	41	47.6 Å²	47.6	19%	0.19	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	9.2	179.1	-65	-75.6	0	0	0	114.2	L138 S139 F172 E174 C178	L138-H176 HydrophobicContact CD2-CB 4.14Å; S139-H176 PolarHBondContact OG-CE1 2.89Å; F172-H176 AromaticContact CD2-CD2 3.33Å; F172-H176 WeakPolarHBondContact CD2-CD2 3.41Å; F172-H176 AromaticContact CD2-NE2 3.56Å; F172-H176 AromaticContact CE2-CD2 3.01Å; F172-H176 WeakPolarHBondContact CE2-CD2 3.27Å; F172-H176 AromaticContact CE2-NE2 3.07Å; F172-H176 WeakPolarHBondContact CE2-NE2 3.42Å; F172-H176 AromaticContact CZ-CD2 3.54Å; F172-H176 AromaticContact CZ-NE2 3.91Å; F172-H176 PolarHBondContact O-CD2 3.5Å; F172-H176 VanDerWaalsContact O-CD2 3.27Å; F172-H176 PolarHBondContact O-N 3.15Å; F172-H176 VanDerWaalsContact O-N 3.08Å; E174-H176 PolarHBondContact O-N 3.04Å; H176-C178 PolarHBondContact O-N 3.23Å; H176-C178 VanDerWaalsContact O-N 3.12Å
177	S	82.6	Confident	86.1	Confident	98 Å²	98	50.1 Å²	50.1	69%	0.685	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	28.5	179.9	-57.4	0	0	0	0	114.6	A173 E174 T179	A173-S177 CarbonylContact O-C 3.59Å; A173-S177 PolarHBondContact O-N 2.99Å; E174-S177 PolarHBondContact O-N 3.42Å; E174-S177 VanDerWaalsContact O-N 3.08Å; S177-T179 PolarHBondContact O-N 3.22Å
178	C	85.1	Confident	86	Confident	13 Å²	13	52.1 Å²	52.1	9%	0.088	30%	0.299	C	S	.	.			trans	-79.8	80.9	173.4	-68.1	0	0	0	0	109.9	A173 H176 E180 L181 S182	A173-C178 HydrophobicContact CB-CB 4.13Å; A173-C178 PolarHBondContact O-N 2.84Å; H176-C178 PolarHBondContact O-N 3.23Å; H176-C178 VanDerWaalsContact O-N 3.12Å; C178-E180 VanDerWaalsContact C-N 3.34Å; C178-E180 PolarHBondContact O-N 2.87Å; C178-L181 HydrophobicContact CB-CB 4.18Å; C178-L181 PolarHBondContact O-N 3.05Å; C178-S182 WeakPolarHBondContact O-CB 3.5Å; C178-S182 PolarHBondContact O-N 3.26Å
179	T	87.2	Confident	86.3	Confident	114 Å²	114	49.4 Å²	49.4	70%	0.699	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-36.7	-173	54	0	0	0	0	114	S177 G183	S177-T179 PolarHBondContact O-N 3.22Å; T179-G183 PolarHBondContact O-N 3.13Å
180	E	85.7	Confident	86.3	Confident	148 Å²	148	49.3 Å²	49.3	69%	0.692	28%	0.279	S	S	*	.	H	α-helix	trans	-66.8	-52.3	179.7	-65.6	-178.8	155.1	0	0	111.1	C178 S182 G183 Y184	C178-E180 VanDerWaalsContact C-N 3.34Å; C178-E180 PolarHBondContact O-N 2.87Å; E180-S182 VanDerWaalsContact C-N 3.35Å; E180-S182 PolarHBondContact O-N 2.94Å; E180-G183 PolarHBondContact O-N 2.82Å; E180-Y184 WeakPolarHBondContact O-CB 3.49Å; E180-Y184 PolarHBondContact O-N 3.27Å
181	L	86.7	Confident	86.1	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-41.8	176.3	177.1	64.5	0	0	0	111.9	C154 L157 E158 M161 A173 C178 Y184 A185	C154-L181 HydrophobicContact CB-CB 4.46Å; L157-L181 HydrophobicContact CB-CD1 4.07Å; L157-L181 HydrophobicContact CB-CD2 4.13Å; L157-L181 HydrophobicContact CD1-CD2 3.71Å; E158-L181 HydrophobicContact CG-CD1 3.56Å; M161-L181 HydrophobicContact CE-CD1 3.98Å; A173-L181 HydrophobicContact CB-CB 4.1Å; A173-L181 HydrophobicContact CB-CD2 3.9Å; A173-L181 HydrophobicContact CB-CG 3.86Å; C178-L181 HydrophobicContact CB-CB 4.18Å; C178-L181 PolarHBondContact O-N 3.05Å; L181-Y184 PolarHBondContact O-N 3.33Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.27Å; L181-A185 PolarHBondContact O-N 3.31Å
182	S	89.4	Confident	86	Confident	18 Å²	18	52.2 Å²	52.2	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-44.2	176.4	178.7	0	0	0	0	111.5	C178 E180 A185 G186	C178-S182 WeakPolarHBondContact O-CB 3.5Å; C178-S182 PolarHBondContact O-N 3.26Å; E180-S182 VanDerWaalsContact C-N 3.35Å; E180-S182 PolarHBondContact O-N 2.94Å; S182-A185 PolarHBondContact O-N 3.08Å; S182-G186 PolarHBondContact O-N 3.48Å
183	G	88	Confident	86.5	Confident	46 Å²	46	51.5 Å²	51.5	47%	0.474	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-43.4	176.1	0	0	0	0	0	112.5	T179 E180 G186 A187	T179-G183 PolarHBondContact O-N 3.13Å; E180-G183 PolarHBondContact O-N 2.82Å; G183-G186 PolarHBondContact O-N 2.88Å; G183-A187 PolarHBondContact O-N 2.89Å
184	Y	85.9	Confident	86.5	Confident	112 Å²	112	57.6 Å²	57.6	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-44.5	176.4	-172.5	-91.5	0	0	0	111.9	E158 M161 E180 L181 A187 Y188	E158-Y184 HydrophobicContact CB-CD1 4.29Å; E158-Y184 HydrophobicContact CB-CE1 4.24Å; E158-Y184 HydrophobicContact CG-CD1 3.96Å; E158-Y184 HydrophobicContact CG-CE1 4.41Å; E158-Y184 HydrophobicContact CG-CG 4.27Å; M161-Y184 HydrophobicContact CE-CD1 3.45Å; M161-Y184 VanDerWaalsContact CE-CD1 3.45Å; M161-Y184 HydrophobicContact CE-CE1 3.87Å; M161-Y184 HydrophobicContact SD-CD1 3.67Å; M161-Y184 HydrophobicContact SD-CE1 3.78Å; E180-Y184 WeakPolarHBondContact O-CB 3.49Å; E180-Y184 PolarHBondContact O-N 3.27Å; L181-Y184 PolarHBondContact O-N 3.33Å; Y184-A187 PolarHBondContact O-N 3.43Å; Y184-Y188 WeakPolarHBondContact O-CB 3.32Å; Y184-Y188 PolarHBondContact O-N 2.7Å
185	A	88.8	Confident	86.7	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-41.8	175.7	0	0	0	0	0	112.2	M161 K170 L181 S182 Y188 I189	M161-A185 HydrophobicContact CE-CB 3.94Å; M161-A185 HydrophobicContact SD-CB 4.09Å; K170-A185 HydrophobicContact CB-CB 3.75Å; K170-A185 HydrophobicContact CG-CB 4.23Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.27Å; L181-A185 PolarHBondContact O-N 3.31Å; S182-A185 PolarHBondContact O-N 3.08Å; A185-Y188 PolarHBondContact O-N 2.7Å; A185-I189 WeakPolarHBondContact O-CB 3.41Å; A185-I189 VanDerWaalsContact O-CD1 3.3Å; A185-I189 WeakPolarHBondContact O-CD1 3.27Å; A185-I189 VanDerWaalsContact O-CG1 3.23Å; A185-I189 WeakPolarHBondContact O-CG1 3.28Å; A185-I189 PolarHBondContact O-N 3.39Å
186	G	89.3	Confident	87.1	Confident	10 Å²	10	52.6 Å²	52.6	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-57.3	-50.4	173.4	0	0	0	0	0	112.1	S182 G183 Y188 I189 E190	S182-G186 PolarHBondContact O-N 3.48Å; G183-G186 PolarHBondContact O-N 2.88Å; G186-Y188 VanDerWaalsContact C-N 3.3Å; G186-Y188 PolarHBondContact O-N 2.76Å; G186-I189 PolarHBondContact O-N 3.32Å; G186-E190 WeakPolarHBondContact O-CB 3.03Å; G186-E190 VanDerWaalsContact O-CG 3.32Å; G186-E190 WeakPolarHBondContact O-CG 3.16Å; G186-E190 PolarHBondContact O-N 3.07Å
187	A	84.4	Confident	87.6	Confident	53 Å²	53	51.6 Å²	51.6	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-36.7	177.1	0	0	0	0	0	112.6	G183 Y184 K191	G183-A187 PolarHBondContact O-N 2.89Å; Y184-A187 PolarHBondContact O-N 3.43Å; A187-K191 VanDerWaalsContact O-CB 3.29Å; A187-K191 WeakPolarHBondContact O-CB 3.31Å; A187-K191 PolarHBondContact O-N 3.27Å
188	Y	87.3	Confident	88	Confident	46 Å²	46	52.9 Å²	52.9	18%	0.18	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-44.5	174.9	-173	-83.1	0	0	0	112	M161 S162 V163 C166 Y184 A185 G186 K191 H192	M161-Y188 HydrophobicContact CG-CD1 4Å; M161-Y188 HydrophobicContact CG-CD2 4.04Å; M161-Y188 HydrophobicContact CG-CE1 4.29Å; M161-Y188 HydrophobicContact CG-CE2 4.31Å; M161-Y188 HydrophobicContact CG-CG 3.88Å; M161-Y188 VanDerWaalsContact SD-CB 3.54Å; M161-Y188 HydrophobicContact SD-CD1 4.21Å; M161-Y188 HydrophobicContact SD-CD2 4.08Å; M161-Y188 HydrophobicContact SD-CG 3.68Å; S162-Y188 WeakPolarHBondContact CA-OH 3.15Å; V163-Y188 HydrophobicContact CG2-CE1 4.48Å; V163-Y188 PolarHBondContact N-OH 3.26Å; C166-Y188 HydrophobicContact CB-CD1 3.7Å; C166-Y188 HydrophobicContact CB-CE1 4.08Å; Y184-Y188 WeakPolarHBondContact O-CB 3.32Å; Y184-Y188 PolarHBondContact O-N 2.7Å; A185-Y188 PolarHBondContact O-N 2.7Å; G186-Y188 VanDerWaalsContact C-N 3.3Å; G186-Y188 PolarHBondContact O-N 2.76Å; Y188-K191 PolarHBondContact O-N 3.36Å; Y188-H192 AromaticContact CD2-CD2 3.92Å; Y188-H192 HydrophobicContact CE1-CB 4.24Å; Y188-H192 AromaticContact CE1-CD2 3.79Å; Y188-H192 AromaticContact CE2-CD2 3.69Å; Y188-H192 AromaticContact CE2-NE2 3.88Å; Y188-H192 AromaticContact CZ-CD2 3.62Å; Y188-H192 WeakPolarHBondContact O-CB 3.22Å; Y188-H192 PolarHBondContact O-CD2 2.85Å; Y188-H192 PolarHBondContact O-N 3.01Å
189	I	91.5	Very high	88.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-45.3	177.9	-70.6	155.5	0	0	0	110.5	C166 L167 K170 A185 G186 K191 H192 F193 V196 Y209 L213	C166-I189 HydrophobicContact CB-CD1 4.37Å; C166-I189 HydrophobicContact CB-CG1 3.81Å; C166-I189 VanDerWaalsContact SG-CG1 3.57Å; L167-I189 HydrophobicContact CD2-CD1 3.96Å; L167-I189 HydrophobicContact CD2-CG1 4.28Å; L167-I189 HydrophobicContact CD2-CG2 4.21Å; K170-I189 HydrophobicContact CB-CD1 3.92Å; K170-I189 HydrophobicContact CD-CD1 3.82Å; K170-I189 HydrophobicContact CG-CD1 4.48Å; A185-I189 WeakPolarHBondContact O-CB 3.41Å; A185-I189 VanDerWaalsContact O-CD1 3.3Å; A185-I189 WeakPolarHBondContact O-CD1 3.27Å; A185-I189 VanDerWaalsContact O-CG1 3.23Å; A185-I189 WeakPolarHBondContact O-CG1 3.28Å; A185-I189 PolarHBondContact O-N 3.39Å; G186-I189 PolarHBondContact O-N 3.32Å; I189-K191 VanDerWaalsContact C-N 3.32Å; I189-K191 PolarHBondContact O-N 3.13Å; I189-H192 CarbonylContact O-C 3.56Å; I189-H192 PolarHBondContact O-N 3.5Å; I189-F193 WeakPolarHBondContact O-CA 3.2Å; I189-F193 WeakPolarHBondContact O-CB 3.18Å; I189-F193 PolarHBondContact O-N 2.92Å; I189-V196 HydrophobicContact CG2-CG1 4.29Å; I189-Y209 WeakPolarHBondContact CD1-OH 3.27Å; I189-L213 HydrophobicContact CG2-CD1 3.99Å; I189-L213 HydrophobicContact CG2-CD2 4.25Å
190	E	87.3	Confident	88.2	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.065	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-46.3	176.5	-73	172.1	156.7	0	0	110.8	G186 F193 L213 S216 R218 E220	G186-E190 WeakPolarHBondContact O-CB 3.03Å; G186-E190 VanDerWaalsContact O-CG 3.32Å; G186-E190 WeakPolarHBondContact O-CG 3.16Å; G186-E190 PolarHBondContact O-N 3.07Å; E190-F193 WeakPolarHBondContact O-CB 3.49Å; E190-L213 HydrophobicContact CG-CD1 4.14Å; E190-S216 PolarHBondContact OE1-OG 3.24Å; E190-R218 HydrophobicContact CB-CB 4.31Å; E190-R218 HydrophobicContact CG-CB 4.23Å; E190-R218 IonicContact OE1-CZ 2.77Å; E190-R218 IonicContact OE1-NE 3.36Å; E190-R218 PolarHBondContact OE1-NE 3.42Å; E190-R218 IonicContact OE1-NH2 3.07Å; E190-R218 PolarHBondContact OE1-NH2 3.05Å; E190-R218 WeakPolarHBondContact OE2-CB 3.48Å; E190-R218 WeakPolarHBondContact OE2-CD 3.43Å; E190-R218 IonicContact OE2-CZ 2.88Å; E190-R218 IonicContact OE2-NE 3.38Å; E190-R218 PolarHBondContact OE2-NE 2.88Å; E190-R218 IonicContact OE2-NH2 3.3Å; E190-E220 WeakPolarHBondContact O-CB 3.46Å; E190-E220 PolarHBondContact O-N 3.25Å
191	K	82.6	Confident	88.3	Confident	116 Å²	116	51.1 Å²	51.1	50%	0.504	26%	0.256	S	S	.	.	H	α-helix	trans	-65.7	-39	178.7	-179.7	177.2	-179.2	-173.8	0	114.3	A187 Y188 I189 E220	A187-K191 VanDerWaalsContact O-CB 3.29Å; A187-K191 WeakPolarHBondContact O-CB 3.31Å; A187-K191 PolarHBondContact O-N 3.27Å; Y188-K191 PolarHBondContact O-N 3.36Å; I189-K191 VanDerWaalsContact C-N 3.32Å; I189-K191 PolarHBondContact O-N 3.13Å; K191-E220 WeakPolarHBondContact O-CB 3.39Å
192	H	85.4	Confident	88.6	Confident	49 Å²	49	51.1 Å²	51.1	23%	0.227	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	20.3	-177.2	-68.4	-81.3	0	0	0	112.5	V163 Y188 I189 R194 Q195 V196	V163-H192 HydrophobicContact CG2-CB 4.34Å; Y188-H192 AromaticContact CD2-CD2 3.92Å; Y188-H192 HydrophobicContact CE1-CB 4.24Å; Y188-H192 AromaticContact CE1-CD2 3.79Å; Y188-H192 AromaticContact CE2-CD2 3.69Å; Y188-H192 AromaticContact CE2-NE2 3.88Å; Y188-H192 AromaticContact CZ-CD2 3.62Å; Y188-H192 WeakPolarHBondContact O-CB 3.22Å; Y188-H192 PolarHBondContact O-CD2 2.85Å; Y188-H192 PolarHBondContact O-N 3.01Å; I189-H192 CarbonylContact O-C 3.56Å; I189-H192 PolarHBondContact O-N 3.5Å; H192-R194 VanDerWaalsContact C-N 3.25Å; H192-R194 PolarHBondContact O-N 3.39Å; H192-R194 VanDerWaalsContact O-N 3.09Å; H192-Q195 PolarHBondContact ND1-OE1 2.93Å; H192-Q195 PolarHBondContact O-N 3.45Å; H192-V196 HydrophobicContact CB-CG2 4.41Å; H192-V196 WeakPolarHBondContact O-CG2 3.5Å; H192-V196 PolarHBondContact O-N 3.41Å
193	F	91.6	Very high	88.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-53.3	-39.6	-168.8	179.9	-110.4	0	0	0	113.6	I189 E190 Q195 V196 M197 F202 L213 L214 L219 V221 A230	I189-F193 WeakPolarHBondContact O-CA 3.2Å; I189-F193 WeakPolarHBondContact O-CB 3.18Å; I189-F193 PolarHBondContact O-N 2.92Å; E190-F193 WeakPolarHBondContact O-CB 3.49Å; F193-Q195 VanDerWaalsContact C-N 3.3Å; F193-Q195 PolarHBondContact O-N 3.31Å; F193-V196 PolarHBondContact O-N 2.59Å; F193-V196 VanDerWaalsContact O-N 3.14Å; F193-M197 HydrophobicContact CD1-CE 3.49Å; F193-M197 VanDerWaalsContact CD1-CE 3.49Å; F193-M197 HydrophobicContact CE1-CE 3.18Å; F193-M197 HydrophobicContact CG-CE 4.46Å; F193-M197 HydrophobicContact CZ-CE 3.95Å; F193-M197 PolarHBondContact O-N 3.23Å; F193-F202 AromaticContact CE2-CE2 3.83Å; F193-F202 HydrophobicContact CE2-CE2 3.83Å; F193-F202 HydrophobicContact CE2-CZ 4.33Å; F193-F202 HydrophobicContact CZ-CE2 4.36Å; F193-F202 HydrophobicContact CZ-CZ 4.42Å; F193-L213 HydrophobicContact CD2-CD1 4.45Å; F193-L213 HydrophobicContact CD2-CD2 3.89Å; F193-L213 HydrophobicContact CD2-CG 4.23Å; F193-L213 HydrophobicContact CE2-CD2 3.51Å; F193-L213 HydrophobicContact CE2-CG 3.94Å; F193-L214 HydrophobicContact CZ-CD2 4.37Å; F193-L219 HydrophobicContact CB-CD1 3.79Å; F193-L219 HydrophobicContact CB-CG 4.09Å; F193-L219 HydrophobicContact CD1-CD1 3.84Å; F193-L219 HydrophobicContact CD1-CD2 3.72Å; F193-L219 HydrophobicContact CD1-CG 3.65Å; F193-L219 HydrophobicContact CD2-CD1 3.43Å; F193-L219 VanDerWaalsContact CD2-CD1 3.43Å; F193-L219 HydrophobicContact CD2-CG 4.2Å; F193-L219 HydrophobicContact CE1-CD1 4.24Å; F193-L219 HydrophobicContact CE1-CD2 3.59Å; F193-L219 HydrophobicContact CE1-CG 4.06Å; F193-L219 HydrophobicContact CE2-CD1 3.87Å; F193-L219 HydrophobicContact CE2-CD2 4.43Å; F193-L219 HydrophobicContact CG-CD1 3.39Å; F193-L219 HydrophobicContact CG-CD2 4.18Å; F193-L219 HydrophobicContact CG-CG 3.71Å; F193-L219 HydrophobicContact CZ-CD1 4.25Å; F193-L219 HydrophobicContact CZ-CD2 3.97Å; F193-L219 HydrophobicContact CZ-CG 4.49Å; F193-V221 HydrophobicContact CD1-CG1 3.59Å; F193-V221 HydrophobicContact CE1-CG1 3.99Å; F193-A230 HydrophobicContact CE1-CB 4.07Å; F193-A230 HydrophobicContact CZ-CB 3.72Å
194	R	88.2	Confident	88.8	Confident	129 Å²	129	54 Å²	54	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-55.4	-42.2	174.9	179.8	176.2	170.4	-178.4	-6	113.4	H192 M197 D222	H192-R194 VanDerWaalsContact C-N 3.25Å; H192-R194 PolarHBondContact O-N 3.39Å; H192-R194 VanDerWaalsContact O-N 3.09Å; R194-M197 WeakPolarHBondContact O-CG 3.1Å; R194-D222 IonicContact CZ-OD2 2.83Å; R194-D222 IonicContact NH1-OD2 3.25Å; R194-D222 PolarHBondContact NH1-OD2 2.63Å
195	Q	89.4	Confident	89.1	Confident	97 Å²	97	48.8 Å²	48.8	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-79.7	-32.7	179.2	-59	175.3	-39.8	0	0	110.3	V163 H192 F193 E198	V163-Q195 HydrophobicContact CB-CB 4.4Å; V163-Q195 HydrophobicContact CG1-CB 3.55Å; V163-Q195 HydrophobicContact CG2-CB 3.95Å; V163-Q195 VanDerWaalsContact CG2-OE1 3.32Å; H192-Q195 PolarHBondContact ND1-OE1 2.93Å; H192-Q195 PolarHBondContact O-N 3.45Å; F193-Q195 VanDerWaalsContact C-N 3.3Å; F193-Q195 PolarHBondContact O-N 3.31Å; Q195-E198 PolarHBondContact O-N 3.29Å
196	V	92.5	Very high	89.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-41.3	178.7	176.5	0	0	0	0	111.7	V163 L167 I189 H192 F193 E198 T199 F202	V163-V196 HydrophobicContact CG1-CG2 4.03Å; L167-V196 HydrophobicContact CD1-CG1 3.55Å; L167-V196 HydrophobicContact CD2-CG1 3.92Å; L167-V196 HydrophobicContact CG-CG1 3.67Å; I189-V196 HydrophobicContact CG2-CG1 4.29Å; H192-V196 HydrophobicContact CB-CG2 4.41Å; H192-V196 WeakPolarHBondContact O-CG2 3.5Å; H192-V196 PolarHBondContact O-N 3.41Å; F193-V196 PolarHBondContact O-N 2.59Å; F193-V196 VanDerWaalsContact O-N 3.14Å; V196-E198 PolarHBondContact O-N 2.93Å; V196-E198 VanDerWaalsContact O-N 3.13Å; V196-T199 WeakPolarHBondContact O-CB 3.43Å; V196-T199 PolarHBondContact O-N 3.02Å; V196-T199 PolarHBondContact O-OG1 2.94Å; V196-F202 HydrophobicContact CG1-CD2 4.46Å; V196-F202 WeakPolarHBondContact O-CB 3.27Å
197	M	91.2	Very high	89.5	Confident	20 Å²	20	52.3 Å²	52.3	10%	0.099	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.3	177.9	66.4	167.5	66.8	0	0	113.4	F193 R194 T199 F202 Q226 A230 R233	F193-M197 HydrophobicContact CD1-CE 3.49Å; F193-M197 VanDerWaalsContact CD1-CE 3.49Å; F193-M197 HydrophobicContact CE1-CE 3.18Å; F193-M197 HydrophobicContact CG-CE 4.46Å; F193-M197 HydrophobicContact CZ-CE 3.95Å; F193-M197 PolarHBondContact O-N 3.23Å; R194-M197 WeakPolarHBondContact O-CG 3.1Å; M197-T199 VanDerWaalsContact C-N 3.33Å; M197-F202 HydrophobicContact CB-CD1 4.46Å; M197-F202 HydrophobicContact CB-CE1 4.47Å; M197-Q226 HydrophobicContact CE-CB 4.24Å; M197-A230 HydrophobicContact CB-CB 4.34Å; M197-A230 HydrophobicContact CE-CB 3.88Å; M197-A230 HydrophobicContact SD-CB 4.4Å; M197-R233 WeakPolarHBondContact O-CD 3.33Å; M197-R233 PolarHBondContact O-NE 3.37Å; M197-R233 VanDerWaalsContact O-NE 3.12Å; M197-R233 PolarHBondContact O-NH1 3.48Å; M197-R233 PolarHBondContact O-NH2 3.15Å
198	E	90.6	Very high	89.9	Confident	124 Å²	124	55.3 Å²	55.3	58%	0.579	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17	177.3	-67.7	177.6	177.2	0	0	112.7	Q195 V196 R233	Q195-E198 PolarHBondContact O-N 3.29Å; V196-E198 PolarHBondContact O-N 2.93Å; V196-E198 VanDerWaalsContact O-N 3.13Å; E198-R233 VanDerWaalsContact C-NH2 3.29Å; E198-R233 PolarHBondContact O-NH2 3.21Å
199	T	90	Very high	90.1	Very high	24 Å²	24	54 Å²	54	15%	0.147	25%	0.254	C	S	.	.	S	Bend	trans	-73.9	161	179.7	69.6	0	0	0	0	112.9	V163 V196 M197 F202 R233	V163-T199 HydrophobicContact CG1-CG2 4.03Å; V196-T199 WeakPolarHBondContact O-CB 3.43Å; V196-T199 PolarHBondContact O-N 3.02Å; V196-T199 PolarHBondContact O-OG1 2.94Å; M197-T199 VanDerWaalsContact C-N 3.33Å; T199-F202 PolarHBondContact OG1-N 3.07Å; T199-R233 PolarHBondContact O-NH2 2.9Å
200	E	87.3	Confident	90.2	Very high	160 Å²	160	54 Å²	54	75%	0.748	25%	0.254	S	S	*	.	S	Bend	trans	-74	-39.1	174.2	-65.8	-177.5	176.2	0	0	111.6	F202 C203 H204	E200-F202 PolarHBondContact O-N 2.77Å; E200-F202 VanDerWaalsContact O-N 3.11Å; E200-C203 WeakPolarHBondContact O-CB 3.38Å; E200-C203 PolarHBondContact O-N 2.68Å; E200-H204 PolarHBondContact O-CD2 3.38Å
201	D	87.1	Confident	90.5	Very high	55 Å²	55	56.4 Å²	56.4	29%	0.294	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-53.7	-32.6	177.4	-78	7.1	0	0	0	112.6	L167 S168 C203 H204	L167-D201 HydrophobicContact CB-CB 4.31Å; L167-D201 HydrophobicContact CD1-CB 3.78Å; S168-D201 PolarHBondContact OG-OD2 2.6Å; D201-C203 PolarHBondContact O-N 3.27Å; D201-H204 WeakPolarHBondContact O-CB 3.27Å; D201-H204 PolarHBondContact O-N 3.1Å
202	F	92.5	Very high	90.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-58.2	-33.8	176.1	-177.4	-100.9	0	0	0	112.8	L167 F193 V196 M197 T199 E200 H204 I205 L210 L213 A230 W234	L167-F202 HydrophobicContact CD1-CB 4.08Å; F193-F202 AromaticContact CE2-CE2 3.83Å; F193-F202 HydrophobicContact CE2-CE2 3.83Å; F193-F202 HydrophobicContact CE2-CZ 4.33Å; F193-F202 HydrophobicContact CZ-CE2 4.36Å; F193-F202 HydrophobicContact CZ-CZ 4.42Å; V196-F202 HydrophobicContact CG1-CD2 4.46Å; V196-F202 WeakPolarHBondContact O-CB 3.27Å; M197-F202 HydrophobicContact CB-CD1 4.46Å; M197-F202 HydrophobicContact CB-CE1 4.47Å; T199-F202 PolarHBondContact OG1-N 3.07Å; E200-F202 PolarHBondContact O-N 2.77Å; E200-F202 VanDerWaalsContact O-N 3.11Å; F202-H204 PolarHBondContact O-N 3.13Å; F202-I205 HydrophobicContact CD2-CD1 3.92Å; F202-I205 HydrophobicContact CE2-CD1 3.72Å; F202-I205 HydrophobicContact CZ-CD1 4.27Å; F202-I205 VanDerWaalsContact O-CG1 3.27Å; F202-I205 WeakPolarHBondContact O-CG1 3.47Å; F202-L210 HydrophobicContact CE2-CD1 4.25Å; F202-L210 HydrophobicContact CZ-CD1 3.85Å; F202-L213 HydrophobicContact CE2-CD2 4.23Å; F202-A230 HydrophobicContact CE1-CB 4.24Å; F202-A230 HydrophobicContact CZ-CB 3.99Å; F202-W234 HydrophobicContact CE1-CB 4.22Å
203	C	91.9	Very high	91.2	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.074	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-73.7	-16.8	178.3	-62.8	0	0	0	0	112.7	E200 D201 Y237 R242	E200-C203 WeakPolarHBondContact O-CB 3.38Å; E200-C203 PolarHBondContact O-N 2.68Å; D201-C203 PolarHBondContact O-N 3.27Å; C203-Y237 HydrophobicContact CB-CD1 4.38Å; C203-Y237 HydrophobicContact CB-CD2 3.52Å; C203-Y237 HydrophobicContact CB-CE2 3.99Å; C203-Y237 HydrophobicContact CB-CG 3.74Å; C203-R242 VanDerWaalsContact O-CZ 3.29Å; C203-R242 PolarHBondContact O-NH1 2.78Å; C203-R242 PolarHBondContact O-NH2 3.1Å
204	H	90.5	Very high	91.2	Very high	114 Å²	114	53.4 Å²	53.4	53%	0.528	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-93.8	-7.9	-177.2	-70	-71.7	0	0	0	114.3	E200 D201 F202 Y237	E200-H204 PolarHBondContact O-CD2 3.38Å; D201-H204 WeakPolarHBondContact O-CB 3.27Å; D201-H204 PolarHBondContact O-N 3.1Å; F202-H204 PolarHBondContact O-N 3.13Å; H204-Y237 AromaticContact CE1-CZ 3.73Å; H204-Y237 PolarHBondContact CE1-OH 2.9Å
205	I	91.7	Very high	91.2	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.249	C	C	.	.	S	Bend	trans	-63.4	151.1	177.8	71.5	-172.5	0	0	0	112.1	L167 F202 Y209 L210 W234	L167-I205 HydrophobicContact CD1-CG2 4.31Å; L167-I205 HydrophobicContact CD2-CG2 4.07Å; F202-I205 HydrophobicContact CD2-CD1 3.92Å; F202-I205 HydrophobicContact CE2-CD1 3.72Å; F202-I205 HydrophobicContact CZ-CD1 4.27Å; F202-I205 VanDerWaalsContact O-CG1 3.27Å; F202-I205 WeakPolarHBondContact O-CG1 3.47Å; I205-Y209 HydrophobicContact CB-CD1 4.02Å; I205-Y209 HydrophobicContact CG2-CD1 4.06Å; I205-Y209 HydrophobicContact CG2-CE1 4.36Å; I205-L210 HydrophobicContact CD1-CB 3.85Å; I205-L210 HydrophobicContact CD1-CD1 3.91Å; I205-L210 HydrophobicContact CD1-CG 4.39Å; I205-L210 HydrophobicContact CG1-CB 4.2Å; I205-W234 PolarHBondContact O-NE1 2.91Å
206	S	92.2	Very high	91	Very high	55 Å²	55	45.9 Å²	45.9	39%	0.385	23%	0.232	S	C	.	.			trans	-70.7	162.6	177.6	78.3	0	0	0	0	112.3	E208 Y209 L210	S206-E208 VanDerWaalsContact C-N 3.32Å; S206-E208 VanDerWaalsContact CB-OE2 3.27Å; S206-E208 WeakPolarHBondContact CB-OE2 3.38Å; S206-E208 PolarHBondContact O-N 2.87Å; S206-E208 PolarHBondContact OG-OE2 3.36Å; S206-E208 VanDerWaalsContact OG-OE2 3.1Å; S206-Y209 PolarHBondContact O-N 3.22Å; S206-Y209 PolarHBondContact OG-N 3.19Å; S206-L210 PolarHBondContact O-N 3.26Å
207	F	93.8	Very high	90.1	Very high	28 Å²	28	49 Å²	49	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-45	175	160.8	-101.9	0	0	0	111	Y209 L210 E211 W234 Y245 N248 L249	F207-Y209 VanDerWaalsContact C-N 3.32Å; F207-Y209 PolarHBondContact O-N 2.89Å; F207-L210 PolarHBondContact O-N 3.45Å; F207-E211 HydrophobicContact CZ-CB 4.48Å; F207-E211 WeakPolarHBondContact O-CB 3.35Å; F207-E211 PolarHBondContact O-N 3.1Å; F207-W234 HydrophobicContact CB-CH2 4.15Å; F207-W234 HydrophobicContact CB-CZ2 4.49Å; F207-Y245 HydrophobicContact CB-CD2 4.37Å; F207-Y245 HydrophobicContact CB-CE2 4.28Å; F207-Y245 HydrophobicContact CD1-CD1 4.24Å; F207-Y245 HydrophobicContact CD1-CE1 4.18Å; F207-Y245 AromaticContact CD2-CD1 3.65Å; F207-Y245 HydrophobicContact CD2-CD1 3.65Å; F207-Y245 HydrophobicContact CD2-CD2 4.05Å; F207-Y245 HydrophobicContact CD2-CE1 4.29Å; F207-Y245 AromaticContact CD2-CG 3.51Å; F207-Y245 HydrophobicContact CD2-CG 3.51Å; F207-Y245 HydrophobicContact CE1-CD1 4.3Å; F207-Y245 HydrophobicContact CE1-CE1 4.44Å; F207-Y245 AromaticContact CE2-CD1 3.7Å; F207-Y245 HydrophobicContact CE2-CD1 3.7Å; F207-Y245 AromaticContact CE2-CG 3.85Å; F207-Y245 HydrophobicContact CE2-CG 3.85Å; F207-Y245 AromaticContact CG-CD1 3.94Å; F207-Y245 HydrophobicContact CG-CD1 3.94Å; F207-Y245 HydrophobicContact CG-CD2 4.29Å; F207-Y245 HydrophobicContact CG-CE1 4.11Å; F207-Y245 HydrophobicContact CG-CE2 4.42Å; F207-Y245 HydrophobicContact CG-CG 4.04Å; F207-Y245 HydrophobicContact CZ-CD1 4.05Å; F207-N248 HydrophobicContact CE2-CB 4.37Å; F207-N248 HydrophobicContact CZ-CB 4.33Å; F207-L249 HydrophobicContact CD2-CD1 4.23Å; F207-L249 HydrophobicContact CD2-CD2 4.02Å; F207-L249 HydrophobicContact CD2-CG 4.18Å; F207-L249 HydrophobicContact CE2-CD1 4.39Å; F207-L249 HydrophobicContact CE2-CD2 3.77Å; F207-L249 HydrophobicContact CE2-CG 3.87Å
208	E	92.7	Very high	89.4	Confident	116 Å²	116	54.3 Å²	54.3	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-41.2	-176.6	-58.4	73.8	-160	0	0	111	S206 E211 E212	S206-E208 VanDerWaalsContact C-N 3.32Å; S206-E208 VanDerWaalsContact CB-OE2 3.27Å; S206-E208 WeakPolarHBondContact CB-OE2 3.38Å; S206-E208 PolarHBondContact O-N 2.87Å; S206-E208 PolarHBondContact OG-OE2 3.36Å; S206-E208 VanDerWaalsContact OG-OE2 3.1Å; E208-E211 PolarHBondContact O-N 3.01Å; E208-E212 PolarHBondContact O-N 2.98Å
209	Y	91.9	Very high	89	Confident	18 Å²	18	48.4 Å²	48.4	7%	0.071	24%	0.24	C	C	.	.	H	α-helix	trans	-74.2	-36.6	179.1	-177	-127.8	0	0	0	112.3	L167 K170 I189 I205 S206 F207 E211 E212 L213	L167-Y209 HydrophobicContact CD2-CE1 3.88Å; K170-Y209 HydrophobicContact CD-CE1 4.4Å; K170-Y209 HydrophobicContact CD-CE2 3.74Å; K170-Y209 WeakPolarHBondContact CD-OH 3.34Å; K170-Y209 VanDerWaalsContact CE-CE2 3.48Å; I189-Y209 WeakPolarHBondContact CD1-OH 3.27Å; I205-Y209 HydrophobicContact CB-CD1 4.02Å; I205-Y209 HydrophobicContact CG2-CD1 4.06Å; I205-Y209 HydrophobicContact CG2-CE1 4.36Å; S206-Y209 PolarHBondContact O-N 3.22Å; S206-Y209 PolarHBondContact OG-N 3.19Å; F207-Y209 VanDerWaalsContact C-N 3.32Å; F207-Y209 PolarHBondContact O-N 2.89Å; Y209-E211 VanDerWaalsContact C-N 3.34Å; Y209-E212 PolarHBondContact O-N 3.26Å; Y209-L213 VanDerWaalsContact O-CB 3.27Å; Y209-L213 WeakPolarHBondContact O-CB 3.49Å; Y209-L213 PolarHBondContact O-N 2.94Å
210	L	94.5	Very high	88.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-41.2	172.7	179.7	63.2	0	0	0	111.2	F202 I205 S206 F207 L213 L214 W234 L249	F202-L210 HydrophobicContact CE2-CD1 4.25Å; F202-L210 HydrophobicContact CZ-CD1 3.85Å; I205-L210 HydrophobicContact CD1-CB 3.85Å; I205-L210 HydrophobicContact CD1-CD1 3.91Å; I205-L210 HydrophobicContact CD1-CG 4.39Å; I205-L210 HydrophobicContact CG1-CB 4.2Å; S206-L210 PolarHBondContact O-N 3.26Å; F207-L210 PolarHBondContact O-N 3.45Å; L210-L213 PolarHBondContact O-N 3.18Å; L210-L214 HydrophobicContact CD1-CD1 3.85Å; L210-L214 HydrophobicContact CD1-CD2 4.06Å; L210-L214 HydrophobicContact CD1-CG 3.67Å; L210-L214 HydrophobicContact CD2-CD1 4.38Å; L210-L214 HydrophobicContact CG-CD1 3.86Å; L210-L214 HydrophobicContact CG-CG 4.05Å; L210-L214 WeakPolarHBondContact O-CB 3.44Å; L210-L214 VanDerWaalsContact O-CG 3.27Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 3.49Å; L210-W234 HydrophobicContact CD2-CB 3.83Å; L210-W234 HydrophobicContact CD2-CD2 3.37Å; L210-W234 HydrophobicContact CD2-CE3 3.63Å; L210-W234 HydrophobicContact CD2-CG 3.46Å; L210-W234 VanDerWaalsContact CD2-CG 3.46Å; L210-W234 HydrophobicContact CD2-CZ3 4.32Å; L210-L249 HydrophobicContact CD2-CD1 3.81Å; L210-L249 HydrophobicContact CD2-CD2 4.25Å; L210-L249 HydrophobicContact CG-CD2 4.15Å
211	E	93.6	Very high	87.8	Confident	65 Å²	65	42 Å²	42	30%	0.304	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-44.2	175.2	-174.9	173.3	-131.2	0	0	111.5	F207 E208 Y209 L213 S215 L249	F207-E211 HydrophobicContact CZ-CB 4.48Å; F207-E211 WeakPolarHBondContact O-CB 3.35Å; F207-E211 PolarHBondContact O-N 3.1Å; E208-E211 PolarHBondContact O-N 3.01Å; Y209-E211 VanDerWaalsContact C-N 3.34Å; E211-L213 VanDerWaalsContact C-N 3.35Å; E211-L213 PolarHBondContact O-N 3.01Å; E211-S215 WeakPolarHBondContact O-CB 3.32Å; E211-S215 PolarHBondContact O-N 2.82Å; E211-S215 PolarHBondContact O-OG 3.4Å; E211-L249 HydrophobicContact CB-CD2 3.96Å
212	E	90.6	Very high	86.9	Confident	99 Å²	99	43.4 Å²	43.4	46%	0.463	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-46.1	172.3	-172.3	-169	164.4	0	0	111.6	E208 Y209 S215 S216	E208-E212 PolarHBondContact O-N 2.98Å; Y209-E212 PolarHBondContact O-N 3.26Å; E212-S215 WeakPolarHBondContact CA-OG 3.23Å; E212-S215 PolarHBondContact O-N 2.71Å; E212-S215 PolarHBondContact O-OG 2.88Å; E212-S216 WeakPolarHBondContact O-CB 3.3Å; E212-S216 PolarHBondContact O-N 2.99Å
213	L	91.6	Very high	86	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-69.1	-42.5	-177.2	-171.5	62	0	0	0	112.4	I189 E190 F193 F202 Y209 L210 E211 S216 L219	I189-L213 HydrophobicContact CG2-CD1 3.99Å; I189-L213 HydrophobicContact CG2-CD2 4.25Å; E190-L213 HydrophobicContact CG-CD1 4.14Å; F193-L213 HydrophobicContact CD2-CD1 4.45Å; F193-L213 HydrophobicContact CD2-CD2 3.89Å; F193-L213 HydrophobicContact CD2-CG 4.23Å; F193-L213 HydrophobicContact CE2-CD2 3.51Å; F193-L213 HydrophobicContact CE2-CG 3.94Å; F202-L213 HydrophobicContact CE2-CD2 4.23Å; Y209-L213 VanDerWaalsContact O-CB 3.27Å; Y209-L213 WeakPolarHBondContact O-CB 3.49Å; Y209-L213 PolarHBondContact O-N 2.94Å; L210-L213 PolarHBondContact O-N 3.18Å; E211-L213 VanDerWaalsContact C-N 3.35Å; E211-L213 PolarHBondContact O-N 3.01Å; L213-S216 WeakPolarHBondContact O-CB 3.34Å; L213-S216 PolarHBondContact O-N 3.07Å; L213-L219 HydrophobicContact CD1-CD1 3.51Å; L213-L219 HydrophobicContact CG-CD1 3.78Å
214	L	91.2	Very high	85.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74.5	-29.6	177.5	-64	-176.6	0	0	0	112.2	F193 L210 S216 V227 L231 L249 N252 R308	F193-L214 HydrophobicContact CZ-CD2 4.37Å; L210-L214 HydrophobicContact CD1-CD1 3.85Å; L210-L214 HydrophobicContact CD1-CD2 4.06Å; L210-L214 HydrophobicContact CD1-CG 3.67Å; L210-L214 HydrophobicContact CD2-CD1 4.38Å; L210-L214 HydrophobicContact CG-CD1 3.86Å; L210-L214 HydrophobicContact CG-CG 4.05Å; L210-L214 WeakPolarHBondContact O-CB 3.44Å; L210-L214 VanDerWaalsContact O-CG 3.27Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 3.49Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-V227 HydrophobicContact CD2-CG1 3.7Å; L214-L231 HydrophobicContact CD1-CB 4.22Å; L214-L231 HydrophobicContact CD1-CD1 4.28Å; L214-L249 HydrophobicContact CD1-CB 4.34Å; L214-L249 HydrophobicContact CD1-CD2 4.29Å; L214-N252 HydrophobicContact CB-CB 3.92Å; L214-R308 PolarHBondContact O-NH1 3.49Å; L214-R308 PolarHBondContact O-NH2 2.81Å
215	S	88.7	Confident	85.2	Confident	56 Å²	56	44.3 Å²	44.3	39%	0.392	22%	0.219	S	C	.	.	H	α-helix	trans	-74.9	-26.6	172.6	63.9	0	0	0	0	112	E211 E212 D217 N252 R254	E211-S215 WeakPolarHBondContact O-CB 3.32Å; E211-S215 PolarHBondContact O-N 2.82Å; E211-S215 PolarHBondContact O-OG 3.4Å; E212-S215 WeakPolarHBondContact CA-OG 3.23Å; E212-S215 PolarHBondContact O-N 2.71Å; E212-S215 PolarHBondContact O-OG 2.88Å; S215-D217 PolarHBondContact O-N 2.91Å; S215-N252 WeakPolarHBondContact CB-OD1 3.5Å; S215-R254 PolarHBondContact O-NH2 3.44Å
216	S	85.2	Confident	84.8	Confident	12 Å²	12	45.6 Å²	45.6	8%	0.084	23%	0.225	C	C	.	.			trans	-55.3	123.7	-178.3	-172.9	0	0	0	0	111.8	E190 E212 L213 L214 R218 R308	E190-S216 PolarHBondContact OE1-OG 3.24Å; E212-S216 WeakPolarHBondContact O-CB 3.3Å; E212-S216 PolarHBondContact O-N 2.99Å; L213-S216 WeakPolarHBondContact O-CB 3.34Å; L213-S216 PolarHBondContact O-N 3.07Å; L214-S216 VanDerWaalsContact C-N 3.33Å; S216-R218 PolarHBondContact O-N 2.95Å; S216-R218 WeakPolarHBondContact OG-CB 3.5Å; S216-R218 PolarHBondContact OG-N 3.39Å; S216-R218 VanDerWaalsContact OG-N 3.08Å; S216-R308 PolarHBondContact O-NH1 2.88Å; S216-R308 VanDerWaalsContact O-NH1 3.08Å
217	D	73.6	Confident	84.8	Confident	66 Å²	66	43 Å²	43	35%	0.353	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.8	167.2	-72.9	-32.9	0	0	0	109.6	S215 L219 R254 R308 I309	S215-D217 PolarHBondContact O-N 2.91Å; D217-L219 VanDerWaalsContact C-N 3.29Å; D217-L219 PolarHBondContact O-N 3.25Å; D217-R254 IonicContact OD1-CZ 2.83Å; D217-R254 IonicContact OD1-NH1 2.74Å; D217-R254 PolarHBondContact OD1-NH1 3.35Å; D217-R254 IonicContact OD1-NH2 3.39Å; D217-R254 PolarHBondContact OD1-NH2 2.77Å; D217-R308 CarbonylContact O-C 3.58Å; D217-R308 WeakPolarHBondContact O-CA 3.24Å; D217-R308 WeakPolarHBondContact O-CB 2.93Å; D217-I309 HydrophobicContact CB-CD1 3.78Å; D217-I309 HydrophobicContact CB-CG1 3.83Å; D217-I309 WeakPolarHBondContact O-CA 3.39Å; D217-I309 WeakPolarHBondContact O-CB 3.25Å; D217-I309 WeakPolarHBondContact O-CG1 3.23Å; D217-I309 PolarHBondContact O-N 3.16Å
218	R	76	Confident	84.6	Confident	131 Å²	131	41.9 Å²	41.9	49%	0.494	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.8	-171.4	-71.7	-173.6	-54.5	-76.5	-14	117	E190 S216 E220 I309	E190-R218 HydrophobicContact CB-CB 4.31Å; E190-R218 HydrophobicContact CG-CB 4.23Å; E190-R218 IonicContact OE1-CZ 2.77Å; E190-R218 IonicContact OE1-NE 3.36Å; E190-R218 PolarHBondContact OE1-NE 3.42Å; E190-R218 IonicContact OE1-NH2 3.07Å; E190-R218 PolarHBondContact OE1-NH2 3.05Å; E190-R218 WeakPolarHBondContact OE2-CB 3.48Å; E190-R218 WeakPolarHBondContact OE2-CD 3.43Å; E190-R218 IonicContact OE2-CZ 2.88Å; E190-R218 IonicContact OE2-NE 3.38Å; E190-R218 PolarHBondContact OE2-NE 2.88Å; E190-R218 IonicContact OE2-NH2 3.3Å; S216-R218 PolarHBondContact O-N 2.95Å; S216-R218 WeakPolarHBondContact OG-CB 3.5Å; S216-R218 PolarHBondContact OG-N 3.39Å; S216-R218 VanDerWaalsContact OG-N 3.08Å; R218-E220 PolarHBondContact O-N 3.45Å; R218-I309 HydrophobicContact CB-CD1 4.23Å; R218-I309 HydrophobicContact CB-CG2 4.31Å; R218-I309 HydrophobicContact CG-CD1 3.41Å; R218-I309 VanDerWaalsContact CG-CD1 3.41Å; R218-I309 HydrophobicContact CG-CG1 4.45Å; R218-I309 HydrophobicContact CG-CG2 4.19Å
219	L	82.5	Confident	84.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.			trans	-54.7	137.4	-177.5	-155.2	69.2	0	0	0	110.9	F193 L213 D217 V221 V227 C310	F193-L219 HydrophobicContact CB-CD1 3.79Å; F193-L219 HydrophobicContact CB-CG 4.09Å; F193-L219 HydrophobicContact CD1-CD1 3.84Å; F193-L219 HydrophobicContact CD1-CD2 3.72Å; F193-L219 HydrophobicContact CD1-CG 3.65Å; F193-L219 HydrophobicContact CD2-CD1 3.43Å; F193-L219 VanDerWaalsContact CD2-CD1 3.43Å; F193-L219 HydrophobicContact CD2-CG 4.2Å; F193-L219 HydrophobicContact CE1-CD1 4.24Å; F193-L219 HydrophobicContact CE1-CD2 3.59Å; F193-L219 HydrophobicContact CE1-CG 4.06Å; F193-L219 HydrophobicContact CE2-CD1 3.87Å; F193-L219 HydrophobicContact CE2-CD2 4.43Å; F193-L219 HydrophobicContact CG-CD1 3.39Å; F193-L219 HydrophobicContact CG-CD2 4.18Å; F193-L219 HydrophobicContact CG-CG 3.71Å; F193-L219 HydrophobicContact CZ-CD1 4.25Å; F193-L219 HydrophobicContact CZ-CD2 3.97Å; F193-L219 HydrophobicContact CZ-CG 4.49Å; L213-L219 HydrophobicContact CD1-CD1 3.51Å; L213-L219 HydrophobicContact CG-CD1 3.78Å; D217-L219 VanDerWaalsContact C-N 3.29Å; D217-L219 PolarHBondContact O-N 3.25Å; L219-V221 HydrophobicContact CD2-CG1 4.39Å; L219-V227 HydrophobicContact CD2-CG2 4.14Å; L219-C310 WeakPolarHBondContact O-CA 3.44Å; L219-C310 VanDerWaalsContact O-CB 3.31Å; L219-C310 WeakPolarHBondContact O-CB 3.09Å; L219-C310 PolarHBondContact O-N 3.31Å; L219-C310 PolarHBondContact O-SG 2.93Å
220	E	73.7	Confident	84.6	Confident	42 Å²	42	39.9 Å²	39.9	20%	0.196	20%	0.196	C	C	.	.			trans	-102.5	103.4	174.3	-64.9	-169.6	-170.1	0	0	111.8	E190 K191 R218 C310 S313	E190-E220 WeakPolarHBondContact O-CB 3.46Å; E190-E220 PolarHBondContact O-N 3.25Å; K191-E220 WeakPolarHBondContact O-CB 3.39Å; R218-E220 PolarHBondContact O-N 3.45Å; E220-C310 HydrophobicContact CB-CB 4.47Å; E220-S313 WeakPolarHBondContact CG-OG 3.25Å; E220-S313 WeakPolarHBondContact OE1-CA 3.48Å; E220-S313 PolarHBondContact OE1-OG 3.06Å; E220-S313 WeakPolarHBondContact OE2-CB 3.42Å; E220-S313 PolarHBondContact OE2-OG 2.96Å
221	V	78.5	Confident	84.6	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.055	20%	0.196	C	C	.	.			trans	-125.7	150.2	169.2	-63.5	0	0	0	0	112.7	F193 L219 K223 Q226 V227 C310	F193-V221 HydrophobicContact CD1-CG1 3.59Å; F193-V221 HydrophobicContact CE1-CG1 3.99Å; L219-V221 HydrophobicContact CD2-CG1 4.39Å; V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 WeakPolarHBondContact CG2-O 3.47Å; V221-Q226 HydrophobicContact CB-CB 4.22Å; V221-Q226 HydrophobicContact CG1-CB 4.1Å; V221-V227 HydrophobicContact CB-CG2 4.42Å; V221-V227 HydrophobicContact CG1-CG2 3.95Å; V221-V227 HydrophobicContact CG2-CG2 3.77Å; V221-C310 HydrophobicContact CG2-CB 4.25Å; V221-C310 WeakPolarHBondContact CG2-SG 3.29Å; V221-C310 PolarHBondContact N-SG 2.79Å; V221-C310 WeakPolarHBondContact O-CB 3.39Å
222	D	68.3	Low	84.5	Confident	83 Å²	83	37.6 Å²	37.6	44%	0.444	19%	0.185	S	C	.	.	S	Bend	trans	-70.2	-33.8	175.8	-61.5	-50.6	0	0	0	111.3	R194 Q226	R194-D222 IonicContact CZ-OD2 2.83Å; R194-D222 IonicContact NH1-OD2 3.25Å; R194-D222 PolarHBondContact NH1-OD2 2.63Å; D222-Q226 PolarHBondContact OD2-NE2 3.08Å; D222-Q226 VanDerWaalsContact OD2-NE2 3.16Å
223	K	73.4	Confident	84.7	Confident	120 Å²	120	37.6 Å²	37.6	52%	0.522	18%	0.181	S	C	.	.	S	Bend	trans	-152.9	150.4	-173.7	-72.2	179.1	-171	174.7	0	109	V221 D225 Q226	V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 WeakPolarHBondContact CG2-O 3.47Å; K223-D225 WeakPolarHBondContact CB-OD1 3.23Å; K223-D225 WeakPolarHBondContact CD-OD2 3.17Å; K223-D225 IonicContact NZ-OD2 3.23Å; K223-D225 PolarHBondContact O-N 2.76Å; K223-Q226 PolarHBondContact O-N 3.43Å
224	E	82.8	Confident	84.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.8	179.2	-165.3	70.4	-164.1	0	0	112.9	Q226 V227 F228 V253 R254 F257 V258 R308	E224-Q226 VanDerWaalsContact C-N 3.27Å; E224-Q226 PolarHBondContact O-N 2.67Å; E224-V227 WeakPolarHBondContact O-CB 3.48Å; E224-V227 PolarHBondContact O-N 3.29Å; E224-F228 PolarHBondContact O-N 3.22Å; E224-V253 HydrophobicContact CG-CG1 4.19Å; E224-R254 HydrophobicContact CG-CB 4.05Å; E224-R254 PolarHBondContact OE1-N 3.24Å; E224-F257 HydrophobicContact CB-CB 4.27Å; E224-V258 HydrophobicContact CB-CG2 3.79Å; E224-V258 HydrophobicContact CG-CG2 3.83Å; E224-R308 VanDerWaalsContact CD-NE 3.32Å; E224-R308 IonicContact OE1-CZ 2.76Å; E224-R308 IonicContact OE1-NE 2.86Å; E224-R308 PolarHBondContact OE1-NE 3.35Å; E224-R308 IonicContact OE1-NH2 3.32Å; E224-R308 PolarHBondContact OE1-NH2 2.91Å; E224-R308 VanDerWaalsContact OE2-CD 3.28Å; E224-R308 WeakPolarHBondContact OE2-CD 3.38Å; E224-R308 IonicContact OE2-NE 3.7Å; E224-R308 PolarHBondContact OE2-NE 3.16Å
225	D	82.4	Confident	85	Confident	24 Å²	24	37.7 Å²	37.7	13%	0.128	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-38.7	172	55.1	6.7	0	0	0	111.7	K223 V227 F228 D229	K223-D225 WeakPolarHBondContact CB-OD1 3.23Å; K223-D225 WeakPolarHBondContact CD-OD2 3.17Å; K223-D225 IonicContact NZ-OD2 3.23Å; K223-D225 PolarHBondContact O-N 2.76Å; D225-V227 PolarHBondContact O-N 3.21Å; D225-F228 WeakPolarHBondContact O-CB 3.39Å; D225-F228 PolarHBondContact O-N 3.37Å; D225-F228 VanDerWaalsContact O-N 3.09Å; D225-D229 PolarHBondContact O-N 2.87Å
226	Q	84.5	Confident	85.2	Confident	30 Å²	30	39.5 Å²	39.5	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-30.8	178	-67.9	173.3	-23.4	0	0	113	M197 V221 D222 K223 E224 D229 A230	M197-Q226 HydrophobicContact CE-CB 4.24Å; V221-Q226 HydrophobicContact CB-CB 4.22Å; V221-Q226 HydrophobicContact CG1-CB 4.1Å; D222-Q226 PolarHBondContact OD2-NE2 3.08Å; D222-Q226 VanDerWaalsContact OD2-NE2 3.16Å; K223-Q226 PolarHBondContact O-N 3.43Å; E224-Q226 VanDerWaalsContact C-N 3.27Å; E224-Q226 PolarHBondContact O-N 2.67Å; Q226-D229 PolarHBondContact O-N 3.26Å; Q226-A230 WeakPolarHBondContact O-CB 3.38Å; Q226-A230 PolarHBondContact O-N 3.35Å
227	V	90.4	Very high	85.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-42.7	176.5	-180	0	0	0	0	109.9	L214 L219 V221 E224 D225 A230 L231 V253	L214-V227 HydrophobicContact CD2-CG1 3.7Å; L219-V227 HydrophobicContact CD2-CG2 4.14Å; V221-V227 HydrophobicContact CB-CG2 4.42Å; V221-V227 HydrophobicContact CG1-CG2 3.95Å; V221-V227 HydrophobicContact CG2-CG2 3.77Å; E224-V227 WeakPolarHBondContact O-CB 3.48Å; E224-V227 PolarHBondContact O-N 3.29Å; D225-V227 PolarHBondContact O-N 3.21Å; V227-A230 PolarHBondContact O-N 2.76Å; V227-L231 PolarHBondContact O-N 2.91Å; V227-V253 HydrophobicContact CG1-CG2 4.11Å
228	F	90.9	Very high	86.5	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.022	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-43	174.1	177.7	-99	0	0	0	111.2	E224 D225 A230 L231 I232 L250 V253 F255 I267 N270 I273	E224-F228 PolarHBondContact O-N 3.22Å; D225-F228 WeakPolarHBondContact O-CB 3.39Å; D225-F228 PolarHBondContact O-N 3.37Å; D225-F228 VanDerWaalsContact O-N 3.09Å; F228-A230 VanDerWaalsContact C-N 3.32Å; F228-A230 PolarHBondContact O-N 3.42Å; F228-L231 WeakPolarHBondContact O-CB 3.4Å; F228-L231 PolarHBondContact O-N 2.75Å; F228-I232 HydrophobicContact CD1-CG1 4.07Å; F228-I232 HydrophobicContact CD2-CG1 4.36Å; F228-I232 HydrophobicContact CE1-CD1 4.28Å; F228-I232 HydrophobicContact CE1-CG1 3.6Å; F228-I232 HydrophobicContact CE2-CD1 3.97Å; F228-I232 HydrophobicContact CE2-CG1 3.89Å; F228-I232 HydrophobicContact CG-CG1 4.44Å; F228-I232 HydrophobicContact CZ-CD1 3.68Å; F228-I232 HydrophobicContact CZ-CG1 3.49Å; F228-I232 VanDerWaalsContact CZ-CG1 3.49Å; F228-I232 WeakPolarHBondContact O-CG1 3.38Å; F228-I232 PolarHBondContact O-N 2.94Å; F228-L250 HydrophobicContact CD2-CD1 4.09Å; F228-L250 HydrophobicContact CE2-CD1 3.9Å; F228-V253 HydrophobicContact CB-CG1 4.21Å; F228-F255 HydrophobicContact CD2-CE1 4.42Å; F228-I267 HydrophobicContact CB-CD1 4.2Å; F228-I267 HydrophobicContact CD1-CD1 3.98Å; F228-I267 HydrophobicContact CD1-CG1 3.74Å; F228-I267 HydrophobicContact CD2-CD1 4.24Å; F228-I267 HydrophobicContact CD2-CG1 4.49Å; F228-I267 HydrophobicContact CD2-CG2 4.16Å; F228-I267 HydrophobicContact CE1-CB 4.22Å; F228-I267 HydrophobicContact CE1-CD1 4.41Å; F228-I267 HydrophobicContact CE1-CG1 3.75Å; F228-I267 HydrophobicContact CE1-CG2 4.23Å; F228-I267 HydrophobicContact CE2-CG2 3.7Å; F228-I267 HydrophobicContact CG-CD1 3.86Å; F228-I267 HydrophobicContact CG-CG1 4.11Å; F228-I267 HydrophobicContact CZ-CB 4.18Å; F228-I267 HydrophobicContact CZ-CG1 4.15Å; F228-I267 HydrophobicContact CZ-CG2 3.73Å; F228-N270 HydrophobicContact CZ-CB 4.33Å; F228-I273 HydrophobicContact CE2-CD1 4.2Å; F228-I273 HydrophobicContact CE2-CG1 4.32Å; F228-I273 HydrophobicContact CZ-CG1 4.26Å
229	D	90.8	Very high	87.2	Confident	91 Å²	91	41.4 Å²	41.4	49%	0.487	20%	0.199	S	C	.	.	H	α-helix	trans	-60.8	-41.8	176.7	-69.3	-22.6	0	0	0	111.9	D225 Q226 I232 R233	D225-D229 PolarHBondContact O-N 2.87Å; Q226-D229 PolarHBondContact O-N 3.26Å; D229-I232 PolarHBondContact O-N 3.42Å; D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.32Å; D229-R233 PolarHBondContact O-N 3.26Å
230	A	92.9	Very high	87.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-44.2	175.1	0	0	0	0	0	112	F193 M197 F202 Q226 V227 F228 R233 W234	F193-A230 HydrophobicContact CE1-CB 4.07Å; F193-A230 HydrophobicContact CZ-CB 3.72Å; M197-A230 HydrophobicContact CB-CB 4.34Å; M197-A230 HydrophobicContact CE-CB 3.88Å; M197-A230 HydrophobicContact SD-CB 4.4Å; F202-A230 HydrophobicContact CE1-CB 4.24Å; F202-A230 HydrophobicContact CZ-CB 3.99Å; Q226-A230 WeakPolarHBondContact O-CB 3.38Å; Q226-A230 PolarHBondContact O-N 3.35Å; V227-A230 PolarHBondContact O-N 2.76Å; F228-A230 VanDerWaalsContact C-N 3.32Å; F228-A230 PolarHBondContact O-N 3.42Å; A230-R233 PolarHBondContact O-N 3.28Å; A230-W234 PolarHBondContact O-N 3.49Å
231	L	94.1	Very high	88.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-51.7	174.4	169.3	57.9	0	0	0	111.3	L214 V227 F228 R233 W234 I235 L246 L249 L250 V253	L214-L231 HydrophobicContact CD1-CB 4.22Å; L214-L231 HydrophobicContact CD1-CD1 4.28Å; V227-L231 PolarHBondContact O-N 2.91Å; F228-L231 WeakPolarHBondContact O-CB 3.4Å; F228-L231 PolarHBondContact O-N 2.75Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.36Å; L231-W234 PolarHBondContact O-N 3.44Å; L231-I235 HydrophobicContact CD1-CG1 4.03Å; L231-I235 WeakPolarHBondContact O-CG1 3.24Å; L231-I235 PolarHBondContact O-N 3.13Å; L231-L246 HydrophobicContact CD2-CD1 4.49Å; L231-L249 HydrophobicContact CD1-CB 3.33Å; L231-L249 HydrophobicContact CD1-CD1 3.5Å; L231-L249 HydrophobicContact CD1-CG 4.03Å; L231-L249 HydrophobicContact CD2-CB 4.14Å; L231-L249 HydrophobicContact CG-CB 4.37Å; L231-L250 HydrophobicContact CD2-CB 4.4Å; L231-L250 HydrophobicContact CD2-CD1 3.98Å; L231-V253 HydrophobicContact CD2-CG2 4.07Å
232	I	93.1	Very high	89.2	Confident	17 Å²	17	47.5 Å²	47.5	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-39	-178.3	-66.8	-63.6	0	0	0	111.2	F228 D229 W234 I235 N236 L272	F228-I232 HydrophobicContact CD1-CG1 4.07Å; F228-I232 HydrophobicContact CD2-CG1 4.36Å; F228-I232 HydrophobicContact CE1-CD1 4.28Å; F228-I232 HydrophobicContact CE1-CG1 3.6Å; F228-I232 HydrophobicContact CE2-CD1 3.97Å; F228-I232 HydrophobicContact CE2-CG1 3.89Å; F228-I232 HydrophobicContact CG-CG1 4.44Å; F228-I232 HydrophobicContact CZ-CD1 3.68Å; F228-I232 HydrophobicContact CZ-CG1 3.49Å; F228-I232 VanDerWaalsContact CZ-CG1 3.49Å; F228-I232 WeakPolarHBondContact O-CG1 3.38Å; F228-I232 PolarHBondContact O-N 2.94Å; D229-I232 PolarHBondContact O-N 3.42Å; I232-W234 PolarHBondContact O-N 3.44Å; I232-I235 PolarHBondContact O-N 2.71Å; I232-N236 WeakPolarHBondContact CG2-ND2 3.47Å; I232-N236 WeakPolarHBondContact O-CB 3.28Å; I232-N236 PolarHBondContact O-N 3.1Å; I232-N236 PolarHBondContact O-ND2 2.86Å; I232-L272 HydrophobicContact CD1-CD1 3.95Å; I232-L272 HydrophobicContact CG2-CD1 4.34Å
233	R	93.8	Very high	90.3	Very high	98 Å²	98	45.9 Å²	45.9	37%	0.37	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-45.7	174.3	-179.5	173.8	175	149	-8.1	111.7	M197 E198 T199 D229 A230 L231 N236 Y237	M197-R233 WeakPolarHBondContact O-CD 3.33Å; M197-R233 PolarHBondContact O-NE 3.37Å; M197-R233 VanDerWaalsContact O-NE 3.12Å; M197-R233 PolarHBondContact O-NH1 3.48Å; M197-R233 PolarHBondContact O-NH2 3.15Å; E198-R233 VanDerWaalsContact C-NH2 3.29Å; E198-R233 PolarHBondContact O-NH2 3.21Å; T199-R233 PolarHBondContact O-NH2 2.9Å; D229-R233 VanDerWaalsContact O-CB 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.32Å; D229-R233 PolarHBondContact O-N 3.26Å; A230-R233 PolarHBondContact O-N 3.28Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.36Å; R233-N236 PolarHBondContact O-N 2.76Å; R233-Y237 PolarHBondContact O-N 3.08Å
234	W	95.6	Very high	91	Very high	6 Å²	6	47.2 Å²	47.2	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-39.5	178.4	-174.9	94	0	0	0	112.4	F202 I205 F207 L210 A230 L231 I232 R242 Y245 L249	F202-W234 HydrophobicContact CE1-CB 4.22Å; I205-W234 PolarHBondContact O-NE1 2.91Å; F207-W234 HydrophobicContact CB-CH2 4.15Å; F207-W234 HydrophobicContact CB-CZ2 4.49Å; L210-W234 HydrophobicContact CD2-CB 3.83Å; L210-W234 HydrophobicContact CD2-CD2 3.37Å; L210-W234 HydrophobicContact CD2-CE3 3.63Å; L210-W234 HydrophobicContact CD2-CG 3.46Å; L210-W234 VanDerWaalsContact CD2-CG 3.46Å; L210-W234 HydrophobicContact CD2-CZ3 4.32Å; A230-W234 PolarHBondContact O-N 3.49Å; L231-W234 PolarHBondContact O-N 3.44Å; I232-W234 PolarHBondContact O-N 3.44Å; W234-R242 HydrophobicContact CE3-CB 4.35Å; W234-R242 HydrophobicContact CE3-CG 4.42Å; W234-R242 HydrophobicContact CH2-CB 4.21Å; W234-R242 HydrophobicContact CH2-CG 3.84Å; W234-R242 HydrophobicContact CZ2-CG 4.44Å; W234-R242 HydrophobicContact CZ3-CB 3.75Å; W234-R242 HydrophobicContact CZ3-CG 3.83Å; W234-R242 VanDerWaalsContact O-CD 3.31Å; W234-R242 WeakPolarHBondContact O-CD 3.34Å; W234-R242 PolarHBondContact O-NH1 3.34Å; W234-Y245 HydrophobicContact CH2-CD2 4.27Å; W234-L249 HydrophobicContact CE3-CD1 4.03Å; W234-L249 HydrophobicContact CZ3-CD1 3.81Å
235	I	93.3	Very high	91.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-42	176.4	-63.7	-71.6	0	0	0	111.3	L231 I232 Y237 D238 V239 R242 L246 L249 L272	L231-I235 HydrophobicContact CD1-CG1 4.03Å; L231-I235 WeakPolarHBondContact O-CG1 3.24Å; L231-I235 PolarHBondContact O-N 3.13Å; I232-I235 PolarHBondContact O-N 2.71Å; I235-Y237 PolarHBondContact O-N 3.03Å; I235-D238 CarbonylContact O-C 3.51Å; I235-D238 VanDerWaalsContact O-C 3.26Å; I235-D238 PolarHBondContact O-N 3.14Å; I235-V239 WeakPolarHBondContact O-CA 3.29Å; I235-V239 PolarHBondContact O-N 3.35Å; I235-R242 HydrophobicContact CD1-CB 3.92Å; I235-R242 WeakPolarHBondContact CD1-O 3.37Å; I235-L246 HydrophobicContact CG1-CD1 4.18Å; I235-L249 HydrophobicContact CD1-CD1 4.32Å; I235-L272 HydrophobicContact CB-CD1 4.43Å; I235-L272 HydrophobicContact CG2-CD1 3.86Å
236	N	93.5	Very high	91.9	Very high	94 Å²	94	49.5 Å²	49.5	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-20.6	-178	-82.6	-30.2	0	0	0	114.3	I232 R233	I232-N236 WeakPolarHBondContact CG2-ND2 3.47Å; I232-N236 WeakPolarHBondContact O-CB 3.28Å; I232-N236 PolarHBondContact O-N 3.1Å; I232-N236 PolarHBondContact O-ND2 2.86Å; R233-N236 PolarHBondContact O-N 2.76Å
237	Y	93.3	Very high	92.1	Very high	122 Å²	122	51.8 Å²	51.8	48%	0.478	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-38.1	176.1	-174.9	-95.4	0	0	0	112.8	C203 H204 R233 I235	C203-Y237 HydrophobicContact CB-CD1 4.38Å; C203-Y237 HydrophobicContact CB-CD2 3.52Å; C203-Y237 HydrophobicContact CB-CE2 3.99Å; C203-Y237 HydrophobicContact CB-CG 3.74Å; H204-Y237 AromaticContact CE1-CZ 3.73Å; H204-Y237 PolarHBondContact CE1-OH 2.9Å; R233-Y237 PolarHBondContact O-N 3.08Å; I235-Y237 PolarHBondContact O-N 3.03Å
238	D	92.6	Very high	92	Very high	68 Å²	68	55.2 Å²	55.2	36%	0.364	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	79.6	174	-176.7	-6.5	0	0	0	109.9	I235 A240 A241 R242	I235-D238 CarbonylContact O-C 3.51Å; I235-D238 VanDerWaalsContact O-C 3.26Å; I235-D238 PolarHBondContact O-N 3.14Å; D238-A240 PolarHBondContact O-N 2.98Å; D238-A240 PolarHBondContact OD1-N 3.13Å; D238-A241 PolarHBondContact O-N 3.03Å; D238-A241 PolarHBondContact OD1-N 2.78Å; D238-A241 WeakPolarHBondContact OD2-CB 3.46Å; D238-R242 HydrophobicContact CB-CG 4.22Å; D238-R242 WeakPolarHBondContact O-CB 3.32Å; D238-R242 VanDerWaalsContact O-CG 3.27Å; D238-R242 WeakPolarHBondContact O-CG 3.41Å; D238-R242 PolarHBondContact O-N 3.37Å
239	V	91.5	Very high	92.1	Very high	58 Å²	58	55 Å²	55	35%	0.352	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-37.8	-177	-179.6	0	0	0	0	111.1	I235 S243 L272	I235-V239 WeakPolarHBondContact O-CA 3.29Å; I235-V239 PolarHBondContact O-N 3.35Å; V239-S243 WeakPolarHBondContact CG1-OG 3.45Å; V239-S243 VanDerWaalsContact O-CB 3.22Å; V239-S243 WeakPolarHBondContact O-CB 3.38Å; V239-S243 PolarHBondContact O-N 2.8Å; V239-S243 VanDerWaalsContact O-N 3.13Å; V239-S243 PolarHBondContact O-OG 2.91Å; V239-L272 HydrophobicContact CG1-CD2 4.07Å
240	A	91.2	Very high	92	Very high	100 Å²	100	50.6 Å²	50.6	83%	0.826	26%	0.261	S	S	*	.	H	α-helix	trans	-66.8	-45.3	-175.4	0	0	0	0	0	112.1	D238	D238-A240 PolarHBondContact O-N 2.98Å; D238-A240 PolarHBondContact OD1-N 3.13Å
241	A	92.2	Very high	91.7	Very high	48 Å²	48	55.5 Å²	55.5	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-83.3	-30.9	-179.3	0	0	0	0	0	113.2	D238 K244	D238-A241 PolarHBondContact O-N 3.03Å; D238-A241 PolarHBondContact OD1-N 2.78Å; D238-A241 WeakPolarHBondContact OD2-CB 3.46Å; A241-K244 VanDerWaalsContact O-CE 3.28Å; A241-K244 WeakPolarHBondContact O-CE 3.19Å
242	R	93.2	Very high	91.4	Very high	32 Å²	32	57.1 Å²	57.1	12%	0.121	29%	0.293	C	S	.	.	H	α-helix	trans	-96.3	-20.2	-168.5	-59.9	176.7	176	-168.1	-4.8	114.7	C203 W234 I235 D238 K244 Y245	C203-R242 VanDerWaalsContact O-CZ 3.29Å; C203-R242 PolarHBondContact O-NH1 2.78Å; C203-R242 PolarHBondContact O-NH2 3.1Å; W234-R242 HydrophobicContact CE3-CB 4.35Å; W234-R242 HydrophobicContact CE3-CG 4.42Å; W234-R242 HydrophobicContact CH2-CB 4.21Å; W234-R242 HydrophobicContact CH2-CG 3.84Å; W234-R242 HydrophobicContact CZ2-CG 4.44Å; W234-R242 HydrophobicContact CZ3-CB 3.75Å; W234-R242 HydrophobicContact CZ3-CG 3.83Å; W234-R242 VanDerWaalsContact O-CD 3.31Å; W234-R242 WeakPolarHBondContact O-CD 3.34Å; W234-R242 PolarHBondContact O-NH1 3.34Å; I235-R242 HydrophobicContact CD1-CB 3.92Å; I235-R242 WeakPolarHBondContact CD1-O 3.37Å; D238-R242 HydrophobicContact CB-CG 4.22Å; D238-R242 WeakPolarHBondContact O-CB 3.32Å; D238-R242 VanDerWaalsContact O-CG 3.27Å; D238-R242 WeakPolarHBondContact O-CG 3.41Å; D238-R242 PolarHBondContact O-N 3.37Å; R242-K244 PolarHBondContact O-N 2.68Å; R242-Y245 PolarHBondContact O-N 2.84Å
243	S	89.7	Confident	91.2	Very high	48 Å²	48	56.5 Å²	56.5	34%	0.336	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55	-28.8	-177.9	-70.8	0	0	0	0	114.2	V239 Y245 L246	V239-S243 WeakPolarHBondContact CG1-OG 3.45Å; V239-S243 VanDerWaalsContact O-CB 3.22Å; V239-S243 WeakPolarHBondContact O-CB 3.38Å; V239-S243 PolarHBondContact O-N 2.8Å; V239-S243 VanDerWaalsContact O-N 3.13Å; V239-S243 PolarHBondContact O-OG 2.91Å; S243-Y245 PolarHBondContact O-N 2.8Å; S243-L246 VanDerWaalsContact O-CB 3.28Å; S243-L246 WeakPolarHBondContact O-CB 3.22Å; S243-L246 PolarHBondContact O-N 2.86Å
244	K	89.8	Confident	90.4	Very high	148 Å²	148	52.8 Å²	52.8	64%	0.643	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.8	176.4	64.8	-177.1	179.6	168.1	0	114.1	A241 R242	A241-K244 VanDerWaalsContact O-CE 3.28Å; A241-K244 WeakPolarHBondContact O-CE 3.19Å; R242-K244 PolarHBondContact O-N 2.68Å
245	Y	91.9	Very high	89.7	Confident	68 Å²	68	53 Å²	53	27%	0.267	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-91.2	-6.8	-179.9	-58.9	-58.3	0	0	0	113.3	F207 W234 R242 S243 Y247 N248 L249	F207-Y245 HydrophobicContact CB-CD2 4.37Å; F207-Y245 HydrophobicContact CB-CE2 4.28Å; F207-Y245 HydrophobicContact CD1-CD1 4.24Å; F207-Y245 HydrophobicContact CD1-CE1 4.18Å; F207-Y245 AromaticContact CD2-CD1 3.65Å; F207-Y245 HydrophobicContact CD2-CD1 3.65Å; F207-Y245 HydrophobicContact CD2-CD2 4.05Å; F207-Y245 HydrophobicContact CD2-CE1 4.29Å; F207-Y245 AromaticContact CD2-CG 3.51Å; F207-Y245 HydrophobicContact CD2-CG 3.51Å; F207-Y245 HydrophobicContact CE1-CD1 4.3Å; F207-Y245 HydrophobicContact CE1-CE1 4.44Å; F207-Y245 AromaticContact CE2-CD1 3.7Å; F207-Y245 HydrophobicContact CE2-CD1 3.7Å; F207-Y245 AromaticContact CE2-CG 3.85Å; F207-Y245 HydrophobicContact CE2-CG 3.85Å; F207-Y245 AromaticContact CG-CD1 3.94Å; F207-Y245 HydrophobicContact CG-CD1 3.94Å; F207-Y245 HydrophobicContact CG-CD2 4.29Å; F207-Y245 HydrophobicContact CG-CE1 4.11Å; F207-Y245 HydrophobicContact CG-CE2 4.42Å; F207-Y245 HydrophobicContact CG-CG 4.04Å; F207-Y245 HydrophobicContact CZ-CD1 4.05Å; W234-Y245 HydrophobicContact CH2-CD2 4.27Å; R242-Y245 PolarHBondContact O-N 2.84Å; S243-Y245 PolarHBondContact O-N 2.8Å; Y245-Y247 VanDerWaalsContact C-N 3.32Å; Y245-Y247 PolarHBondContact O-N 3.4Å; Y245-N248 PolarHBondContact O-N 3.2Å; Y245-L249 WeakPolarHBondContact O-CG 3.49Å; Y245-L249 PolarHBondContact O-N 3.44Å; Y245-L249 VanDerWaalsContact O-N 3.1Å
246	L	91	Very high	88.4	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-54.2	-47	-172.5	178.3	63.2	0	0	0	111.9	L231 I235 S243 L249 L250 L272 I273	L231-L246 HydrophobicContact CD2-CD1 4.49Å; I235-L246 HydrophobicContact CG1-CD1 4.18Å; S243-L246 VanDerWaalsContact O-CB 3.28Å; S243-L246 WeakPolarHBondContact O-CB 3.22Å; S243-L246 PolarHBondContact O-N 2.86Å; L246-L249 PolarHBondContact O-N 3.5Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 PolarHBondContact O-N 3.25Å; L246-L272 HydrophobicContact CD2-CB 4.12Å; L246-I273 HydrophobicContact CD1-CD1 4.42Å; L246-I273 HydrophobicContact CD2-CD1 4.31Å
247	Y	88.9	Confident	87.3	Confident	79 Å²	79	52 Å²	52	31%	0.31	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-48.9	-178.4	179.9	-94.9	0	0	0	112.5	Y245 L249 L250 E251 H282	Y245-Y247 VanDerWaalsContact C-N 3.32Å; Y245-Y247 PolarHBondContact O-N 3.4Å; Y247-L249 VanDerWaalsContact C-N 3.32Å; Y247-L249 PolarHBondContact O-N 3.22Å; Y247-L250 WeakPolarHBondContact O-CB 3.44Å; Y247-L250 PolarHBondContact O-N 2.76Å; Y247-L250 VanDerWaalsContact O-N 3.13Å; Y247-E251 HydrophobicContact CE1-CG 4.07Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.39Å; Y247-E251 PolarHBondContact O-N 3.06Å; Y247-E251 VanDerWaalsContact O-N 3.1Å; Y247-E251 PolarHBondContact OH-OE1 3.36Å; Y247-H282 HydrophobicContact CE2-CB 4.23Å
248	N	89.2	Confident	86.3	Confident	71 Å²	71	46.5 Å²	46.5	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-58.9	-43	178.9	-66.6	57.5	0	0	0	112.2	F207 Y245 N252	F207-N248 HydrophobicContact CE2-CB 4.37Å; F207-N248 HydrophobicContact CZ-CB 4.33Å; Y245-N248 PolarHBondContact O-N 3.2Å; N248-N252 PolarHBondContact O-ND2 3.49Å
249	L	91.9	Very high	85.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72.5	-32.1	178	-63.6	171.2	0	0	0	112	F207 L210 E211 L214 L231 W234 I235 Y245 L246 Y247 E251 N252	F207-L249 HydrophobicContact CD2-CD1 4.23Å; F207-L249 HydrophobicContact CD2-CD2 4.02Å; F207-L249 HydrophobicContact CD2-CG 4.18Å; F207-L249 HydrophobicContact CE2-CD1 4.39Å; F207-L249 HydrophobicContact CE2-CD2 3.77Å; F207-L249 HydrophobicContact CE2-CG 3.87Å; L210-L249 HydrophobicContact CD2-CD1 3.81Å; L210-L249 HydrophobicContact CD2-CD2 4.25Å; L210-L249 HydrophobicContact CG-CD2 4.15Å; E211-L249 HydrophobicContact CB-CD2 3.96Å; L214-L249 HydrophobicContact CD1-CB 4.34Å; L214-L249 HydrophobicContact CD1-CD2 4.29Å; L231-L249 HydrophobicContact CD1-CB 3.33Å; L231-L249 HydrophobicContact CD1-CD1 3.5Å; L231-L249 HydrophobicContact CD1-CG 4.03Å; L231-L249 HydrophobicContact CD2-CB 4.14Å; L231-L249 HydrophobicContact CG-CB 4.37Å; W234-L249 HydrophobicContact CE3-CD1 4.03Å; W234-L249 HydrophobicContact CZ3-CD1 3.81Å; I235-L249 HydrophobicContact CD1-CD1 4.32Å; Y245-L249 WeakPolarHBondContact O-CG 3.49Å; Y245-L249 PolarHBondContact O-N 3.44Å; Y245-L249 VanDerWaalsContact O-N 3.1Å; L246-L249 PolarHBondContact O-N 3.5Å; Y247-L249 VanDerWaalsContact C-N 3.32Å; Y247-L249 PolarHBondContact O-N 3.22Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.03Å; L249-N252 WeakPolarHBondContact O-CB 3.47Å; L249-N252 PolarHBondContact O-N 3.18Å
250	L	89.5	Confident	84.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-35.7	177.9	-163.3	72.4	0	0	0	111.9	F228 L231 L246 Y247 N252 V253 F255 I273 C279 M283	F228-L250 HydrophobicContact CD2-CD1 4.09Å; F228-L250 HydrophobicContact CE2-CD1 3.9Å; L231-L250 HydrophobicContact CD2-CB 4.4Å; L231-L250 HydrophobicContact CD2-CD1 3.98Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 PolarHBondContact O-N 3.25Å; Y247-L250 WeakPolarHBondContact O-CB 3.44Å; Y247-L250 PolarHBondContact O-N 2.76Å; Y247-L250 VanDerWaalsContact O-N 3.13Å; L250-N252 PolarHBondContact O-N 3Å; L250-V253 WeakPolarHBondContact O-CB 3.45Å; L250-V253 PolarHBondContact O-N 3.42Å; L250-F255 HydrophobicContact CD1-CE2 4.3Å; L250-F255 HydrophobicContact CD1-CZ 3.58Å; L250-F255 HydrophobicContact CG-CE2 3.99Å; L250-F255 HydrophobicContact CG-CZ 3.78Å; L250-F255 WeakPolarHBondContact O-CE2 3.49Å; L250-I273 HydrophobicContact CD1-CD1 3.73Å; L250-I273 HydrophobicContact CD2-CD1 3.77Å; L250-I273 HydrophobicContact CG-CD1 4.43Å; L250-C279 HydrophobicContact CD2-CB 3.84Å; L250-M283 HydrophobicContact CD1-CE 4.42Å; L250-M283 HydrophobicContact CD2-CE 3.66Å; L250-M283 HydrophobicContact CG-CE 4.09Å
251	E	86.2	Confident	83.4	Confident	103 Å²	103	47.9 Å²	47.9	48%	0.481	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.6	175	-71.9	-173.1	152.9	0	0	112.8	Y247 L249 V253	Y247-E251 HydrophobicContact CE1-CG 4.07Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.39Å; Y247-E251 PolarHBondContact O-N 3.06Å; Y247-E251 VanDerWaalsContact O-N 3.1Å; Y247-E251 PolarHBondContact OH-OE1 3.36Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.03Å; E251-V253 VanDerWaalsContact C-N 3.32Å
252	N	88.3	Confident	82.6	Confident	35 Å²	35	46.1 Å²	46.1	19%	0.187	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.5	177	-66.1	-65.6	0	0	0	113.3	L214 S215 N248 L249 L250 R308	L214-N252 HydrophobicContact CB-CB 3.92Å; S215-N252 WeakPolarHBondContact CB-OD1 3.5Å; N248-N252 PolarHBondContact O-ND2 3.49Å; L249-N252 WeakPolarHBondContact O-CB 3.47Å; L249-N252 PolarHBondContact O-N 3.18Å; L250-N252 PolarHBondContact O-N 3Å; N252-R308 PolarHBondContact O-NH2 2.91Å
253	V	87.7	Confident	81.9	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.024	22%	0.22	C	C	.	.	S	Bend	trans	-86.1	126.4	175.9	-177.8	0	0	0	0	109.9	E224 V227 F228 L231 L250 E251 F255	E224-V253 HydrophobicContact CG-CG1 4.19Å; V227-V253 HydrophobicContact CG1-CG2 4.11Å; F228-V253 HydrophobicContact CB-CG1 4.21Å; L231-V253 HydrophobicContact CD2-CG2 4.07Å; L250-V253 WeakPolarHBondContact O-CB 3.45Å; L250-V253 PolarHBondContact O-N 3.42Å; E251-V253 VanDerWaalsContact C-N 3.32Å; V253-F255 HydrophobicContact CB-CE1 4.21Å; V253-F255 HydrophobicContact CB-CE2 3.94Å; V253-F255 HydrophobicContact CB-CZ 3.7Å; V253-F255 HydrophobicContact CG1-CD1 4.15Å; V253-F255 HydrophobicContact CG1-CE1 3.69Å; V253-F255 HydrophobicContact CG1-CE2 4.25Å; V253-F255 HydrophobicContact CG1-CZ 3.73Å; V253-F255 WeakPolarHBondContact O-CD2 3.42Å; V253-F255 PolarHBondContact O-N 2.98Å
254	R	78.2	Confident	81.3	Confident	19 Å²	19	46 Å²	46	7%	0.072	22%	0.223	C	C	.	.			trans	-89.6	71.2	-171.3	-51.3	172.9	-168.8	-163.1	1.5	111.5	S215 D217 E224 S256 F257 R306 P307 R308	S215-R254 PolarHBondContact O-NH2 3.44Å; D217-R254 IonicContact OD1-CZ 2.83Å; D217-R254 IonicContact OD1-NH1 2.74Å; D217-R254 PolarHBondContact OD1-NH1 3.35Å; D217-R254 IonicContact OD1-NH2 3.39Å; D217-R254 PolarHBondContact OD1-NH2 2.77Å; E224-R254 HydrophobicContact CG-CB 4.05Å; E224-R254 PolarHBondContact OE1-N 3.24Å; R254-S256 PolarHBondContact O-N 3.09Å; R254-F257 HydrophobicContact CB-CD2 3.72Å; R254-F257 HydrophobicContact CB-CE2 4.35Å; R254-F257 PolarHBondContact O-N 2.99Å; R254-R306 VanDerWaalsContact CD-O 3.31Å; R254-R306 WeakPolarHBondContact CD-O 3.22Å; R254-R306 PolarHBondContact NH1-O 2.83Å; R254-P307 PolarHBondContact NH1-O 3.18Å; R254-R308 VanDerWaalsContact NH1-CA 3.32Å
255	F	79.6	Confident	80.8	Confident	10 Å²	10	43.7 Å²	43.7	4%	0.044	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51.2	-27.6	-174.9	-63.5	-68.9	0	0	0	115.2	F228 L250 V253 F257 V258 L263 I267 H282 M283 A286	F228-F255 HydrophobicContact CD2-CE1 4.42Å; L250-F255 HydrophobicContact CD1-CE2 4.3Å; L250-F255 HydrophobicContact CD1-CZ 3.58Å; L250-F255 HydrophobicContact CG-CE2 3.99Å; L250-F255 HydrophobicContact CG-CZ 3.78Å; L250-F255 WeakPolarHBondContact O-CE2 3.49Å; V253-F255 HydrophobicContact CB-CE1 4.21Å; V253-F255 HydrophobicContact CB-CE2 3.94Å; V253-F255 HydrophobicContact CB-CZ 3.7Å; V253-F255 HydrophobicContact CG1-CD1 4.15Å; V253-F255 HydrophobicContact CG1-CE1 3.69Å; V253-F255 HydrophobicContact CG1-CE2 4.25Å; V253-F255 HydrophobicContact CG1-CZ 3.73Å; V253-F255 WeakPolarHBondContact O-CD2 3.42Å; V253-F255 PolarHBondContact O-N 2.98Å; F255-F257 PolarHBondContact O-N 3.33Å; F255-V258 HydrophobicContact CD1-CG2 4.14Å; F255-V258 PolarHBondContact O-N 3.04Å; F255-L263 HydrophobicContact CB-CD1 4.46Å; F255-L263 HydrophobicContact CD1-CD1 3.67Å; F255-L263 HydrophobicContact CE1-CD1 4.38Å; F255-L263 HydrophobicContact CG-CD1 4.35Å; F255-I267 HydrophobicContact CD1-CD1 4.26Å; F255-I267 HydrophobicContact CE1-CD1 3.98Å; F255-I267 HydrophobicContact CE1-CG2 3.98Å; F255-H282 AromaticContact CD2-CD2 3.99Å; F255-H282 AromaticContact CD2-NE2 3.77Å; F255-H282 AromaticContact CE2-CD2 3.62Å; F255-H282 AromaticContact CE2-NE2 3.63Å; F255-M283 HydrophobicContact CD1-CE 4.4Å; F255-M283 HydrophobicContact CD2-CE 4.05Å; F255-M283 HydrophobicContact CE1-CE 3.89Å; F255-M283 HydrophobicContact CE1-SD 4.22Å; F255-M283 HydrophobicContact CE2-CE 3.5Å; F255-M283 HydrophobicContact CG-CE 4.48Å; F255-M283 HydrophobicContact CZ-CE 3.43Å; F255-M283 VanDerWaalsContact CZ-CE 3.43Å; F255-M283 HydrophobicContact CZ-SD 4.31Å; F255-A286 HydrophobicContact CB-CB 3.71Å; F255-A286 HydrophobicContact CD2-CB 4.27Å; F255-A286 HydrophobicContact CG-CB 4.07Å
256	S	67.8	Low	80.3	Confident	17 Å²	17	44.6 Å²	44.6	12%	0.119	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55	-18.6	171.5	-61.5	0	0	0	0	115.4	R254 K293 Y303	R254-S256 PolarHBondContact O-N 3.09Å; S256-K293 PolarHBondContact O-NZ 3.35Å; S256-Y303 WeakPolarHBondContact OG-CE2 3.47Å
257	F	68.7	Low	80.1	Confident	56 Å²	56	44.4 Å²	44.4	25%	0.246	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-113.9	-4.3	178.2	-57.9	-77.1	0	0	0	113.6	E224 R254 F255 P307	E224-F257 HydrophobicContact CB-CB 4.27Å; R254-F257 HydrophobicContact CB-CD2 3.72Å; R254-F257 HydrophobicContact CB-CE2 4.35Å; R254-F257 PolarHBondContact O-N 2.99Å; F255-F257 PolarHBondContact O-N 3.33Å; F257-P307 HydrophobicContact CD1-CB 4.48Å; F257-P307 HydrophobicContact CE1-CB 3.88Å; F257-P307 HydrophobicContact CE2-CB 4.17Å; F257-P307 HydrophobicContact CZ-CB 3.71Å; F257-P307 HydrophobicContact CZ-CG 4.25Å
258	V	72.9	Confident	79.9	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.042	22%	0.218	C	C	.	.	S	Bend	trans	-71.7	142.7	170.9	177.9	0	0	0	0	108.7	E224 F255 C262 L263 I267	E224-V258 HydrophobicContact CB-CG2 3.79Å; E224-V258 HydrophobicContact CG-CG2 3.83Å; F255-V258 HydrophobicContact CD1-CG2 4.14Å; F255-V258 PolarHBondContact O-N 3.04Å; V258-C262 HydrophobicContact CG1-CB 4.19Å; V258-L263 HydrophobicContact CG1-CB 4.11Å; V258-I267 HydrophobicContact CG1-CD1 3.76Å; V258-I267 HydrophobicContact CG2-CD1 4.36Å
259	S	71.8	Confident	79.7	Confident	48 Å²	48	43 Å²	43	34%	0.336	22%	0.219	S	C	.	.			trans	-61.8	138.4	176.8	76.9	0	0	0	0	110.6	F261 C262 L263	S259-F261 PolarHBondContact O-N 3.26Å; S259-F261 VanDerWaalsContact O-N 3.15Å; S259-C262 PolarHBondContact O-N 3Å; S259-C262 VanDerWaalsContact O-N 3.16Å; S259-C262 WeakPolarHBondContact OG-CB 3.37Å; S259-C262 PolarHBondContact OG-N 3.25Å; S259-L263 PolarHBondContact O-N 3.35Å
260	P	70.1	Confident	79.5	Confident	61 Å²	61	44.3 Å²	44.3	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-53.7	-37.6	178.8	-28.7	34.6	0	0	0	113.4	I264 L290	P260-I264 VanDerWaalsContact O-CG1 3.3Å; P260-I264 WeakPolarHBondContact O-CG1 3.45Å; P260-I264 PolarHBondContact O-N 3.49Å; P260-I264 VanDerWaalsContact O-N 3.14Å; P260-L290 HydrophobicContact CB-CD2 3.87Å; P260-L290 HydrophobicContact CG-CD1 4.28Å; P260-L290 HydrophobicContact CG-CD2 3.99Å
261	F	72.7	Confident	79.3	Confident	146 Å²	146	49.3 Å²	49.3	64%	0.64	26%	0.259	S	S	*	.	H	α-helix	trans	-63	-53.2	178.2	-178.1	-92.8	0	0	0	111.5	S259 L263 I264 E265	S259-F261 PolarHBondContact O-N 3.26Å; S259-F261 VanDerWaalsContact O-N 3.15Å; F261-L263 VanDerWaalsContact C-N 3.34Å; F261-L263 PolarHBondContact O-N 3.21Å; F261-I264 PolarHBondContact O-N 3.04Å; F261-E265 HydrophobicContact CD2-CG 4.16Å; F261-E265 HydrophobicContact CE1-CB 4.42Å; F261-E265 HydrophobicContact CE1-CG 4.34Å; F261-E265 HydrophobicContact CE2-CG 3.83Å; F261-E265 HydrophobicContact CZ-CB 4.42Å; F261-E265 HydrophobicContact CZ-CG 3.93Å; F261-E265 WeakPolarHBondContact O-CB 3.36Å; F261-E265 PolarHBondContact O-N 3.47Å
262	C	75.6	Confident	79.4	Confident	12 Å²	12	45.4 Å²	45.4	8%	0.081	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-39.6	179.5	-176.2	0	0	0	0	112	V258 S259 I264 D266 I267	V258-C262 HydrophobicContact CG1-CB 4.19Å; S259-C262 PolarHBondContact O-N 3Å; S259-C262 VanDerWaalsContact O-N 3.16Å; S259-C262 WeakPolarHBondContact OG-CB 3.37Å; S259-C262 PolarHBondContact OG-N 3.25Å; C262-I264 VanDerWaalsContact C-N 3.33Å; C262-I264 PolarHBondContact O-N 3.41Å; C262-D266 WeakPolarHBondContact CA-OD2 3.4Å; C262-D266 WeakPolarHBondContact O-CA 3.21Å; C262-D266 WeakPolarHBondContact O-CB 3.45Å; C262-D266 PolarHBondContact O-N 2.92Å; C262-D266 PolarHBondContact SG-OD2 3.01Å; C262-I267 PolarHBondContact O-N 3.24Å
263	L	78.5	Confident	79.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-58.7	-45.6	177.3	-176.3	63.4	0	0	0	111.6	F255 V258 S259 F261 I267 V268 M283 L287 L290	F255-L263 HydrophobicContact CB-CD1 4.46Å; F255-L263 HydrophobicContact CD1-CD1 3.67Å; F255-L263 HydrophobicContact CE1-CD1 4.38Å; F255-L263 HydrophobicContact CG-CD1 4.35Å; V258-L263 HydrophobicContact CG1-CB 4.11Å; S259-L263 PolarHBondContact O-N 3.35Å; F261-L263 VanDerWaalsContact C-N 3.34Å; F261-L263 PolarHBondContact O-N 3.21Å; L263-I267 HydrophobicContact CD1-CB 4.26Å; L263-I267 HydrophobicContact CD1-CD1 4.22Å; L263-I267 HydrophobicContact CD1-CG2 4.22Å; L263-V268 WeakPolarHBondContact O-CB 3.33Å; L263-V268 WeakPolarHBondContact O-CG2 3.46Å; L263-V268 PolarHBondContact O-N 3.11Å; L263-M283 HydrophobicContact CD1-SD 4.43Å; L263-L287 HydrophobicContact CD2-CD2 3.82Å; L263-L287 HydrophobicContact CD2-CG 4.43Å; L263-L287 HydrophobicContact CG-CD2 4.14Å; L263-L290 HydrophobicContact CD2-CD2 4.01Å
264	I	78.2	Confident	79.3	Confident	76 Å²	76	50 Å²	50	39%	0.39	26%	0.256	S	S	.	.	I	π-helix	trans	-77.2	-51.4	-177.1	-65.6	168.5	0	0	0	111.3	P260 F261 C262 H269 L287	P260-I264 VanDerWaalsContact O-CG1 3.3Å; P260-I264 WeakPolarHBondContact O-CG1 3.45Å; P260-I264 PolarHBondContact O-N 3.49Å; P260-I264 VanDerWaalsContact O-N 3.14Å; F261-I264 PolarHBondContact O-N 3.04Å; C262-I264 VanDerWaalsContact C-N 3.33Å; C262-I264 PolarHBondContact O-N 3.41Å; I264-H269 PolarHBondContact O-CE1 2.84Å; I264-H269 VanDerWaalsContact O-CE1 3.26Å; I264-H269 PolarHBondContact O-ND1 3.46Å; I264-L287 HydrophobicContact CG1-CD2 3.87Å
265	E	78	Confident	79.6	Confident	100 Å²	100	53.7 Å²	53.7	47%	0.467	28%	0.284	S	S	.	.	I	π-helix	trans	-79.8	-39.4	-171.2	-66.8	-63	146.3	0	0	112.7	F261 H269	F261-E265 HydrophobicContact CD2-CG 4.16Å; F261-E265 HydrophobicContact CE1-CB 4.42Å; F261-E265 HydrophobicContact CE1-CG 4.34Å; F261-E265 HydrophobicContact CE2-CG 3.83Å; F261-E265 HydrophobicContact CZ-CB 4.42Å; F261-E265 HydrophobicContact CZ-CG 3.93Å; F261-E265 WeakPolarHBondContact O-CB 3.36Å; F261-E265 PolarHBondContact O-N 3.47Å; E265-H269 VanDerWaalsContact O-CB 3.27Å; E265-H269 WeakPolarHBondContact O-CB 3.43Å; E265-H269 PolarHBondContact O-ND1 3.26Å
266	D	81.9	Confident	79.9	Confident	88 Å²	88	54.9 Å²	54.9	47%	0.471	29%	0.294	S	S	.	.	I	π-helix	trans	-101.5	-53.7	-171.6	-54.2	-45.1	0	0	0	111.9	C262 N270	C262-D266 WeakPolarHBondContact CA-OD2 3.4Å; C262-D266 WeakPolarHBondContact O-CA 3.21Å; C262-D266 WeakPolarHBondContact O-CB 3.45Å; C262-D266 PolarHBondContact O-N 2.92Å; C262-D266 PolarHBondContact SG-OD2 3.01Å; D266-N270 PolarHBondContact O-N 3.39Å
267	I	85.7	Confident	80.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-72.5	-52.8	-170.6	-58.9	-170.4	0	0	0	111.7	F228 F255 V258 C262 L263 H269 N270 M283	F228-I267 HydrophobicContact CB-CD1 4.2Å; F228-I267 HydrophobicContact CD1-CD1 3.98Å; F228-I267 HydrophobicContact CD1-CG1 3.74Å; F228-I267 HydrophobicContact CD2-CD1 4.24Å; F228-I267 HydrophobicContact CD2-CG1 4.49Å; F228-I267 HydrophobicContact CD2-CG2 4.16Å; F228-I267 HydrophobicContact CE1-CB 4.22Å; F228-I267 HydrophobicContact CE1-CD1 4.41Å; F228-I267 HydrophobicContact CE1-CG1 3.75Å; F228-I267 HydrophobicContact CE1-CG2 4.23Å; F228-I267 HydrophobicContact CE2-CG2 3.7Å; F228-I267 HydrophobicContact CG-CD1 3.86Å; F228-I267 HydrophobicContact CG-CG1 4.11Å; F228-I267 HydrophobicContact CZ-CB 4.18Å; F228-I267 HydrophobicContact CZ-CG1 4.15Å; F228-I267 HydrophobicContact CZ-CG2 3.73Å; F255-I267 HydrophobicContact CD1-CD1 4.26Å; F255-I267 HydrophobicContact CE1-CD1 3.98Å; F255-I267 HydrophobicContact CE1-CG2 3.98Å; V258-I267 HydrophobicContact CG1-CD1 3.76Å; V258-I267 HydrophobicContact CG2-CD1 4.36Å; C262-I267 PolarHBondContact O-N 3.24Å; L263-I267 HydrophobicContact CD1-CB 4.26Å; L263-I267 HydrophobicContact CD1-CD1 4.22Å; L263-I267 HydrophobicContact CD1-CG2 4.22Å; I267-H269 PolarHBondContact O-N 2.96Å; I267-N270 VanDerWaalsContact O-CB 3.24Å; I267-N270 WeakPolarHBondContact O-CB 3.39Å; I267-N270 PolarHBondContact O-N 3.39Å; I267-N270 VanDerWaalsContact O-N 3.14Å; I267-M283 HydrophobicContact CG2-SD 3.54Å; I267-M283 VanDerWaalsContact CG2-SD 3.54Å
268	V	85.1	Confident	81.6	Confident	34 Å²	34	60.7 Å²	60.7	21%	0.206	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.2	-179.9	168.7	0	0	0	0	111.9	L263 N270 R274 M283 L287	L263-V268 WeakPolarHBondContact O-CB 3.33Å; L263-V268 WeakPolarHBondContact O-CG2 3.46Å; L263-V268 PolarHBondContact O-N 3.11Å; V268-N270 VanDerWaalsContact C-N 3.35Å; V268-R274 PolarHBondContact O-NE 2.78Å; V268-M283 HydrophobicContact CG2-CB 4.1Å; V268-M283 HydrophobicContact CG2-CG 4.29Å; V268-L287 HydrophobicContact CG2-CD1 4.17Å
269	H	85.3	Confident	82.3	Confident	86 Å²	86	60.4 Å²	60.4	40%	0.398	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.1	177.6	-72.5	79.2	0	0	0	113.9	I264 E265 I267 R274	I264-H269 PolarHBondContact O-CE1 2.84Å; I264-H269 VanDerWaalsContact O-CE1 3.26Å; I264-H269 PolarHBondContact O-ND1 3.46Å; E265-H269 VanDerWaalsContact O-CB 3.27Å; E265-H269 WeakPolarHBondContact O-CB 3.43Å; E265-H269 PolarHBondContact O-ND1 3.26Å; I267-H269 PolarHBondContact O-N 2.96Å; H269-R274 PolarHBondContact CD2-NH1 2.64Å; H269-R274 VanDerWaalsContact CD2-NH1 3.26Å; H269-R274 PolarHBondContact CD2-NH2 2.71Å; H269-R274 PolarHBondContact NE2-NH2 3.23Å
270	N	87.7	Confident	82.9	Confident	29 Å²	29	59.8 Å²	59.8	16%	0.155	32%	0.324	C	S	.	.			trans	-59.5	127	-177.2	-168.4	-58	0	0	0	111.5	F228 D266 I267 V268 L272 I273 R274	F228-N270 HydrophobicContact CZ-CB 4.33Å; D266-N270 PolarHBondContact O-N 3.39Å; I267-N270 VanDerWaalsContact O-CB 3.24Å; I267-N270 WeakPolarHBondContact O-CB 3.39Å; I267-N270 PolarHBondContact O-N 3.39Å; I267-N270 VanDerWaalsContact O-N 3.14Å; V268-N270 VanDerWaalsContact C-N 3.35Å; N270-L272 VanDerWaalsContact C-N 3.26Å; N270-L272 PolarHBondContact O-N 3.01Å; N270-L272 WeakPolarHBondContact OD1-CB 3.5Å; N270-L272 PolarHBondContact OD1-N 3.4Å; N270-I273 HydrophobicContact CB-CB 4.46Å; N270-I273 HydrophobicContact CB-CG1 4.09Å; N270-I273 PolarHBondContact O-N 3.04Å; N270-I273 VanDerWaalsContact O-N 3.14Å; N270-R274 PolarHBondContact O-N 3.21Å; N270-R274 VanDerWaalsContact O-N 3.16Å
271	P	86.7	Confident	83.6	Confident	104 Å²	104	61 Å²	61	68%	0.675	33%	0.327	S	S	*	.	H	α-helix	trans	-56.6	-34.8	-178.5	-26.7	34.4	0	0	0	114.5	I273 R274 S275	P271-I273 VanDerWaalsContact C-N 3.35Å; P271-R274 PolarHBondContact O-N 2.89Å; P271-S275 WeakPolarHBondContact O-CB 3.39Å; P271-S275 PolarHBondContact O-N 3.04Å
272	L	87.2	Confident	84.1	Confident	21 Å²	21	56 Å²	56	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-65.5	-40.2	179.9	-66	174.4	0	0	0	111.2	I232 I235 V239 L246 N270 S275	I232-L272 HydrophobicContact CD1-CD1 3.95Å; I232-L272 HydrophobicContact CG2-CD1 4.34Å; I235-L272 HydrophobicContact CB-CD1 4.43Å; I235-L272 HydrophobicContact CG2-CD1 3.86Å; V239-L272 HydrophobicContact CG1-CD2 4.07Å; L246-L272 HydrophobicContact CD2-CB 4.12Å; N270-L272 VanDerWaalsContact C-N 3.26Å; N270-L272 PolarHBondContact O-N 3.01Å; N270-L272 WeakPolarHBondContact OD1-CB 3.5Å; N270-L272 PolarHBondContact OD1-N 3.4Å; L272-S275 PolarHBondContact O-OG 2.89Å
273	I	87.4	Confident	84.5	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-70	-44.3	178.8	-59.2	-62.6	0	0	0	111	F228 L246 L250 N270 P271 S275 S276 C279 S280 M283	F228-I273 HydrophobicContact CE2-CD1 4.2Å; F228-I273 HydrophobicContact CE2-CG1 4.32Å; F228-I273 HydrophobicContact CZ-CG1 4.26Å; L246-I273 HydrophobicContact CD1-CD1 4.42Å; L246-I273 HydrophobicContact CD2-CD1 4.31Å; L250-I273 HydrophobicContact CD1-CD1 3.73Å; L250-I273 HydrophobicContact CD2-CD1 3.77Å; L250-I273 HydrophobicContact CG-CD1 4.43Å; N270-I273 HydrophobicContact CB-CB 4.46Å; N270-I273 HydrophobicContact CB-CG1 4.09Å; N270-I273 PolarHBondContact O-N 3.04Å; N270-I273 VanDerWaalsContact O-N 3.14Å; P271-I273 VanDerWaalsContact C-N 3.35Å; I273-S275 VanDerWaalsContact C-N 3.27Å; I273-S275 PolarHBondContact O-N 2.89Å; I273-S276 PolarHBondContact O-N 2.98Å; I273-C279 HydrophobicContact CD1-CB 4.17Å; I273-C279 HydrophobicContact CG2-CB 4.09Å; I273-S280 PolarHBondContact O-OG 3.49Å; I273-M283 HydrophobicContact CG2-CG 3.58Å; I273-M283 HydrophobicContact CG2-SD 4.39Å
274	R	86	Confident	84.6	Confident	135 Å²	135	59.5 Å²	59.5	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-27.1	178.9	-78.1	-170	167.1	138.2	-0.4	113.9	V268 H269 N270 P271 S276	V268-R274 PolarHBondContact O-NE 2.78Å; H269-R274 PolarHBondContact CD2-NH1 2.64Å; H269-R274 VanDerWaalsContact CD2-NH1 3.26Å; H269-R274 PolarHBondContact CD2-NH2 2.71Å; H269-R274 PolarHBondContact NE2-NH2 3.23Å; N270-R274 PolarHBondContact O-N 3.21Å; N270-R274 VanDerWaalsContact O-N 3.16Å; P271-R274 PolarHBondContact O-N 2.89Å; R274-S276 PolarHBondContact O-N 3.46Å
275	S	85.1	Confident	84.7	Confident	96 Å²	96	61 Å²	61	67%	0.671	34%	0.335	S	S	*	.	H	α-helix	trans	-69.6	-21.1	177.4	75.1	0	0	0	0	113.3	P271 L272 I273	P271-S275 WeakPolarHBondContact O-CB 3.39Å; P271-S275 PolarHBondContact O-N 3.04Å; L272-S275 PolarHBondContact O-OG 2.89Å; I273-S275 VanDerWaalsContact C-N 3.27Å; I273-S275 PolarHBondContact O-N 2.89Å
276	S	86.2	Confident	84.7	Confident	35 Å²	35	56.9 Å²	56.9	25%	0.245	32%	0.319	C	S	.	.			trans	-113.4	121.6	-176.4	176.3	0	0	0	0	111.7	I273 R274 S278 C279 S280	I273-S276 PolarHBondContact O-N 2.98Å; R274-S276 PolarHBondContact O-N 3.46Å; S276-S278 VanDerWaalsContact C-N 3.35Å; S276-S278 PolarHBondContact O-N 3.24Å; S276-C279 PolarHBondContact O-N 3.43Å; S276-C279 PolarHBondContact OG-SG 3.13Å; S276-C279 VanDerWaalsContact OG-SG 3.41Å; S276-S280 WeakPolarHBondContact O-CB 2.76Å; S276-S280 PolarHBondContact O-N 3.29Å; S276-S280 PolarHBondContact O-OG 3.33Å
277	L	86.1	Confident	84.5	Confident	131 Å²	131	55.4 Å²	55.4	69%	0.686	31%	0.311	S	S	*	.	H	α-helix	trans	-62.5	-40.8	178.5	-176.4	62.3	0	0	0	112	S280 N281	L277-S280 PolarHBondContact O-N 3.08Å; L277-N281 VanDerWaalsContact O-CG 3.31Å; L277-N281 PolarHBondContact O-N 2.93Å
278	S	86	Confident	84	Confident	64 Å²	64	58.1 Å²	58.1	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-42.2	179.5	-51.3	0	0	0	0	112	S276 N281 H282	S276-S278 VanDerWaalsContact C-N 3.35Å; S276-S278 PolarHBondContact O-N 3.24Å; S278-N281 PolarHBondContact O-N 2.7Å; S278-H282 PolarHBondContact O-N 2.95Å
279	C	87	Confident	83.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-40.8	176.3	-60.2	0	0	0	0	111.2	L250 I273 S276 N281 H282 M283	L250-C279 HydrophobicContact CD2-CB 3.84Å; I273-C279 HydrophobicContact CD1-CB 4.17Å; I273-C279 HydrophobicContact CG2-CB 4.09Å; S276-C279 PolarHBondContact O-N 3.43Å; S276-C279 PolarHBondContact OG-SG 3.13Å; S276-C279 VanDerWaalsContact OG-SG 3.41Å; C279-N281 PolarHBondContact O-N 3.03Å; C279-H282 WeakPolarHBondContact O-CB 3.44Å; C279-H282 PolarHBondContact O-N 2.79Å; C279-M283 WeakPolarHBondContact O-CG 2.64Å; C279-M283 PolarHBondContact O-N 2.82Å
280	S	84.7	Confident	82.5	Confident	36 Å²	36	53.9 Å²	53.9	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-42	176.3	-64.3	0	0	0	0	112.1	I273 S276 L277 M283 V284	I273-S280 PolarHBondContact O-OG 3.49Å; S276-S280 WeakPolarHBondContact O-CB 2.76Å; S276-S280 PolarHBondContact O-N 3.29Å; S276-S280 PolarHBondContact O-OG 3.33Å; L277-S280 PolarHBondContact O-N 3.08Å; S280-M283 WeakPolarHBondContact O-CB 3Å; S280-M283 PolarHBondContact O-N 2.94Å; S280-V284 WeakPolarHBondContact O-CG2 3.31Å; S280-V284 PolarHBondContact O-N 3.45Å; S280-V284 VanDerWaalsContact O-N 3.09Å
281	N	84.7	Confident	81.5	Confident	86 Å²	86	58.5 Å²	58.5	46%	0.46	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174.3	-70.7	-15.4	0	0	0	111.5	L277 S278 C279 M283 V284 D285	L277-N281 VanDerWaalsContact O-CG 3.31Å; L277-N281 PolarHBondContact O-N 2.93Å; S278-N281 PolarHBondContact O-N 2.7Å; C279-N281 PolarHBondContact O-N 3.03Å; N281-M283 VanDerWaalsContact C-N 3.27Å; N281-M283 PolarHBondContact O-N 2.96Å; N281-V284 WeakPolarHBondContact O-CB 3.4Å; N281-V284 PolarHBondContact O-N 3.03Å; N281-D285 PolarHBondContact O-N 3.5Å
282	H	83.3	Confident	80.4	Confident	40 Å²	40	57.6 Å²	57.6	19%	0.185	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-36.4	176.1	-166.1	74.7	0	0	0	112.5	Y247 F255 S278 C279 D285 A286	Y247-H282 HydrophobicContact CE2-CB 4.23Å; F255-H282 AromaticContact CD2-CD2 3.99Å; F255-H282 AromaticContact CD2-NE2 3.77Å; F255-H282 AromaticContact CE2-CD2 3.62Å; F255-H282 AromaticContact CE2-NE2 3.63Å; S278-H282 PolarHBondContact O-N 2.95Å; C279-H282 WeakPolarHBondContact O-CB 3.44Å; C279-H282 PolarHBondContact O-N 2.79Å; H282-D285 PolarHBondContact O-N 3.39Å; H282-A286 WeakPolarHBondContact O-CB 3.18Å; H282-A286 PolarHBondContact O-N 2.78Å
283	M	83.3	Confident	79.1	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-37.3	173.3	-64.9	-55.5	91	0	0	112.6	L250 F255 L263 I267 V268 I273 C279 S280 N281 D285 A286 L287	L250-M283 HydrophobicContact CD1-CE 4.42Å; L250-M283 HydrophobicContact CD2-CE 3.66Å; L250-M283 HydrophobicContact CG-CE 4.09Å; F255-M283 HydrophobicContact CD1-CE 4.4Å; F255-M283 HydrophobicContact CD2-CE 4.05Å; F255-M283 HydrophobicContact CE1-CE 3.89Å; F255-M283 HydrophobicContact CE1-SD 4.22Å; F255-M283 HydrophobicContact CE2-CE 3.5Å; F255-M283 HydrophobicContact CG-CE 4.48Å; F255-M283 HydrophobicContact CZ-CE 3.43Å; F255-M283 VanDerWaalsContact CZ-CE 3.43Å; F255-M283 HydrophobicContact CZ-SD 4.31Å; L263-M283 HydrophobicContact CD1-SD 4.43Å; I267-M283 HydrophobicContact CG2-SD 3.54Å; I267-M283 VanDerWaalsContact CG2-SD 3.54Å; V268-M283 HydrophobicContact CG2-CB 4.1Å; V268-M283 HydrophobicContact CG2-CG 4.29Å; I273-M283 HydrophobicContact CG2-CG 3.58Å; I273-M283 HydrophobicContact CG2-SD 4.39Å; C279-M283 WeakPolarHBondContact O-CG 2.64Å; C279-M283 PolarHBondContact O-N 2.82Å; S280-M283 WeakPolarHBondContact O-CB 3Å; S280-M283 PolarHBondContact O-N 2.94Å; N281-M283 VanDerWaalsContact C-N 3.27Å; N281-M283 PolarHBondContact O-N 2.96Å; M283-D285 VanDerWaalsContact C-N 3.33Å; M283-A286 PolarHBondContact O-N 2.89Å; M283-L287 WeakPolarHBondContact O-CB 3.34Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.28Å; M283-L287 PolarHBondContact O-N 3.2Å
284	V	81.1	Confident	77.8	Confident	82 Å²	82	63.8 Å²	63.8	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-40.9	175.5	173.3	0	0	0	0	110.7	S280 N281 L287 S288	S280-V284 WeakPolarHBondContact O-CG2 3.31Å; S280-V284 PolarHBondContact O-N 3.45Å; S280-V284 VanDerWaalsContact O-N 3.09Å; N281-V284 WeakPolarHBondContact O-CB 3.4Å; N281-V284 PolarHBondContact O-N 3.03Å; V284-L287 PolarHBondContact O-N 3.33Å; V284-S288 WeakPolarHBondContact O-CB 3.31Å; V284-S288 PolarHBondContact O-N 2.91Å; V284-S288 PolarHBondContact O-OG 2.85Å
285	D	80.7	Confident	76.4	Confident	106 Å²	106	61 Å²	61	57%	0.567	34%	0.344	S	S	*	.	H	α-helix	trans	-63.7	-44.7	175.1	-68.5	-23.2	0	0	0	111.1	N281 H282 M283 L287 S288 A289	N281-D285 PolarHBondContact O-N 3.5Å; H282-D285 PolarHBondContact O-N 3.39Å; M283-D285 VanDerWaalsContact C-N 3.33Å; D285-L287 PolarHBondContact O-N 3.43Å; D285-S288 PolarHBondContact O-N 2.89Å; D285-A289 WeakPolarHBondContact O-CB 3.28Å; D285-A289 PolarHBondContact O-N 2.91Å
286	A	77	Confident	75	Confident	15 Å²	15	61.6 Å²	61.6	12%	0.124	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-39.4	176	0	0	0	0	0	113.1	F255 H282 M283 A289 L290	F255-A286 HydrophobicContact CB-CB 3.71Å; F255-A286 HydrophobicContact CD2-CB 4.27Å; F255-A286 HydrophobicContact CG-CB 4.07Å; H282-A286 WeakPolarHBondContact O-CB 3.18Å; H282-A286 PolarHBondContact O-N 2.78Å; M283-A286 PolarHBondContact O-N 2.89Å; A286-A289 WeakPolarHBondContact O-CB 3.45Å; A286-L290 WeakPolarHBondContact O-CB 3.19Å; A286-L290 PolarHBondContact O-N 3.21Å
287	L	79.1	Confident	73.3	Confident	57 Å²	57	62.5 Å²	62.5	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-68.9	-40.4	174.7	-74.1	171.2	0	0	0	111.9	L263 I264 V268 M283 V284 D285 L290 F291	L263-L287 HydrophobicContact CD2-CD2 3.82Å; L263-L287 HydrophobicContact CD2-CG 4.43Å; L263-L287 HydrophobicContact CG-CD2 4.14Å; I264-L287 HydrophobicContact CG1-CD2 3.87Å; V268-L287 HydrophobicContact CG2-CD1 4.17Å; M283-L287 WeakPolarHBondContact O-CB 3.34Å; M283-L287 VanDerWaalsContact O-CG 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.28Å; M283-L287 PolarHBondContact O-N 3.2Å; V284-L287 PolarHBondContact O-N 3.33Å; D285-L287 PolarHBondContact O-N 3.43Å; L287-L290 PolarHBondContact O-N 3.38Å; L287-F291 WeakPolarHBondContact O-CB 3.46Å; L287-F291 PolarHBondContact O-N 3.05Å
288	S	75.4	Confident	71.3	Confident	57 Å²	57	62.9 Å²	62.9	40%	0.399	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-44.5	177	-59.5	0	0	0	0	111	V284 D285 F291 L292	V284-S288 WeakPolarHBondContact O-CB 3.31Å; V284-S288 PolarHBondContact O-N 2.91Å; V284-S288 PolarHBondContact O-OG 2.85Å; D285-S288 PolarHBondContact O-N 2.89Å; S288-F291 PolarHBondContact O-N 2.64Å; S288-L292 WeakPolarHBondContact O-CB 3.36Å; S288-L292 WeakPolarHBondContact O-CG 3.14Å; S288-L292 PolarHBondContact O-N 2.74Å
289	A	68.7	Low	69.4	Low	14 Å²	14	66.6 Å²	66.6	12%	0.116	36%	0.357	C	S	.	.	H	α-helix	trans	-52.9	-52.1	170.5	0	0	0	0	0	112.3	D285 A286 F291 L292 K293 Y303	D285-A289 WeakPolarHBondContact O-CB 3.28Å; D285-A289 PolarHBondContact O-N 2.91Å; A286-A289 WeakPolarHBondContact O-CB 3.45Å; A289-F291 PolarHBondContact O-N 3.12Å; A289-L292 PolarHBondContact O-N 2.64Å; A289-K293 WeakPolarHBondContact O-CB 3.46Å; A289-K293 PolarHBondContact O-N 3.32Å; A289-Y303 HydrophobicContact CB-CD1 4.18Å; A289-Y303 HydrophobicContact CB-CE1 3.2Å
290	L	68.4	Low	67.1	Low	17 Å²	17	69.2 Å²	69.2	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-41.5	178.2	-176.9	66.3	0	0	0	112.1	P260 L263 A286 L287 K293 I294	P260-L290 HydrophobicContact CB-CD2 3.87Å; P260-L290 HydrophobicContact CG-CD1 4.28Å; P260-L290 HydrophobicContact CG-CD2 3.99Å; L263-L290 HydrophobicContact CD2-CD2 4.01Å; A286-L290 WeakPolarHBondContact O-CB 3.19Å; A286-L290 PolarHBondContact O-N 3.21Å; L287-L290 PolarHBondContact O-N 3.38Å; L290-K293 PolarHBondContact O-N 3.23Å; L290-I294 HydrophobicContact CD1-CD1 4.11Å; L290-I294 HydrophobicContact CD1-CG1 4.47Å; L290-I294 HydrophobicContact CG-CD1 3.91Å; L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.43Å; L290-I294 PolarHBondContact O-N 2.98Å
291	F	67.6	Low	65	Low	126 Å²	126	72.6 Å²	72.6	55%	0.553	39%	0.389	S	S	*	.	H	α-helix	trans	-64.2	-43.9	178	-176.5	-89.3	0	0	0	112	L287 S288 A289 I294 N295 F296	L287-F291 WeakPolarHBondContact O-CB 3.46Å; L287-F291 PolarHBondContact O-N 3.05Å; S288-F291 PolarHBondContact O-N 2.64Å; A289-F291 PolarHBondContact O-N 3.12Å; F291-I294 PolarHBondContact O-N 3.13Å; F291-N295 VanDerWaalsContact CD2-ND2 3.25Å; F291-N295 WeakPolarHBondContact CD2-ND2 3.28Å; F291-N295 WeakPolarHBondContact CE1-ND2 3.46Å; F291-N295 WeakPolarHBondContact CE2-ND2 3.33Å; F291-N295 WeakPolarHBondContact CG-ND2 3.47Å; F291-N295 WeakPolarHBondContact CZ-ND2 3.38Å; F291-N295 WeakPolarHBondContact O-CB 3.17Å; F291-N295 PolarHBondContact O-N 2.61Å; F291-N295 PolarHBondContact O-ND2 3.39Å; F291-F296 HydrophobicContact CE1-CE2 4.43Å
292	L	64.2	Low	62.5	Low	85 Å²	85	74.7 Å²	74.7	45%	0.445	41%	0.406	S	S	.	.	H	α-helix	trans	-62.8	-43.4	174.2	-71.2	171.9	0	0	0	111	S288 A289 I294 N295 F296 Y300	S288-L292 WeakPolarHBondContact O-CB 3.36Å; S288-L292 WeakPolarHBondContact O-CG 3.14Å; S288-L292 PolarHBondContact O-N 2.74Å; A289-L292 PolarHBondContact O-N 2.64Å; L292-I294 VanDerWaalsContact C-N 3.34Å; L292-I294 PolarHBondContact O-N 3.02Å; L292-N295 PolarHBondContact O-N 3.3Å; L292-F296 HydrophobicContact CD2-CD2 3.99Å; L292-F296 CarbonylContact O-C 3.46Å; L292-F296 WeakPolarHBondContact O-CA 3.4Å; L292-F296 PolarHBondContact O-N 2.9Å; L292-Y300 HydrophobicContact CB-CD2 3.91Å; L292-Y300 HydrophobicContact CB-CE2 4.28Å
293	K	59	Low	60.2	Low	46 Å²	46	76 Å²	76	20%	0.2	41%	0.41	C	S	.	.	H	α-helix	trans	-60.6	-38.8	176.6	-176.7	-176.7	177.7	-174.6	0	113	S256 A289 L290 Y300	S256-K293 PolarHBondContact O-NZ 3.35Å; A289-K293 WeakPolarHBondContact O-CB 3.46Å; A289-K293 PolarHBondContact O-N 3.32Å; L290-K293 PolarHBondContact O-N 3.23Å; K293-Y300 HydrophobicContact CB-CD1 4.36Å; K293-Y300 HydrophobicContact CB-CD2 4.2Å; K293-Y300 HydrophobicContact CB-CG 4.19Å; K293-Y300 HydrophobicContact CG-CD1 4.4Å
294	I	60.3	Low	58.1	Low	106 Å²	106	81.9 Å²	81.9	54%	0.544	45%	0.448	S	S	.	.	H	α-helix	trans	-76	-42.4	-179.9	-68.9	168.5	0	0	0	111.6	L290 F291 L292	L290-I294 HydrophobicContact CD1-CD1 4.11Å; L290-I294 HydrophobicContact CD1-CG1 4.47Å; L290-I294 HydrophobicContact CG-CD1 3.91Å; L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.43Å; L290-I294 PolarHBondContact O-N 2.98Å; F291-I294 PolarHBondContact O-N 3.13Å; L292-I294 VanDerWaalsContact C-N 3.34Å; L292-I294 PolarHBondContact O-N 3.02Å
295	N	55.9	Low	56.4	Low	78 Å²	78	80.7 Å²	80.7	42%	0.417	44%	0.441	S	S	.	.	H	α-helix	trans	-95.9	-24.5	-170.4	-64.9	-58.1	0	0	0	114.4	F291 L292	F291-N295 VanDerWaalsContact CD2-ND2 3.25Å; F291-N295 WeakPolarHBondContact CD2-ND2 3.28Å; F291-N295 WeakPolarHBondContact CE1-ND2 3.46Å; F291-N295 WeakPolarHBondContact CE2-ND2 3.33Å; F291-N295 WeakPolarHBondContact CG-ND2 3.47Å; F291-N295 WeakPolarHBondContact CZ-ND2 3.38Å; F291-N295 WeakPolarHBondContact O-CB 3.17Å; F291-N295 PolarHBondContact O-N 2.61Å; F291-N295 PolarHBondContact O-ND2 3.39Å; L292-N295 PolarHBondContact O-N 3.3Å
296	F	55.9	Low	55	Low	107 Å²	107	82.6 Å²	82.6	47%	0.469	44%	0.44	S	S	.	.			trans	-137	63.9	-174	-54.6	-79.2	0	0	0	111.8	F291 L292 D298 D299 Y300	F291-F296 HydrophobicContact CE1-CE2 4.43Å; L292-F296 HydrophobicContact CD2-CD2 3.99Å; L292-F296 CarbonylContact O-C 3.46Å; L292-F296 WeakPolarHBondContact O-CA 3.4Å; L292-F296 PolarHBondContact O-N 2.9Å; F296-D298 PolarHBondContact O-N 3.16Å; F296-D299 HydrophobicContact CB-CB 4.35Å; F296-D299 PolarHBondContact O-N 2.9Å; F296-Y300 PolarHBondContact O-N 3.09Å
297	P	50.3	Low	53.7	Low	55 Å²	55	83.7 Å²	83.7	36%	0.357	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.3	-176.3	23.8	-32.8	0	0	0	114	Y300	P297-Y300 PolarHBondContact O-N 2.82Å
298	D	45.1	Very low	52.4	Low	138 Å²	138	81 Å²	81	74%	0.738	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-31.9	179.7	-67.1	-35.1	0	0	0	113	F296 Y300	F296-D298 PolarHBondContact O-N 3.16Å; D298-Y300 VanDerWaalsContact C-N 3.32Å
299	D	45.6	Very low	50.9	Low	143 Å²	143	80.4 Å²	80.4	77%	0.765	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.2	176.2	-84	-28.6	0	0	0	112.4	F296 C301	F296-D299 HydrophobicContact CB-CB 4.35Å; F296-D299 PolarHBondContact O-N 2.9Å; D299-C301 VanDerWaalsContact C-N 3.25Å; D299-C301 PolarHBondContact O-N 3.41Å
300	Y	40	Very low	49.4	Very low	55 Å²	55	80.1 Å²	80.1	22%	0.216	42%	0.421	C	S	.	.			trans	-83.6	62	-174.7	-156.6	-89.8	0	0	0	112	L292 K293 F296 P297 D298 Y303	L292-Y300 HydrophobicContact CB-CD2 3.91Å; L292-Y300 HydrophobicContact CB-CE2 4.28Å; K293-Y300 HydrophobicContact CB-CD1 4.36Å; K293-Y300 HydrophobicContact CB-CD2 4.2Å; K293-Y300 HydrophobicContact CB-CG 4.19Å; K293-Y300 HydrophobicContact CG-CD1 4.4Å; F296-Y300 PolarHBondContact O-N 3.09Å; P297-Y300 PolarHBondContact O-N 2.82Å; D298-Y300 VanDerWaalsContact C-N 3.32Å; Y300-Y303 HydrophobicContact CE1-CD2 4.3Å; Y300-Y303 HydrophobicContact CE1-CE1 4.01Å; Y300-Y303 AromaticContact CE1-CE2 3.61Å; Y300-Y303 HydrophobicContact CE1-CE2 3.61Å; Y300-Y303 AromaticContact CE1-CZ 3.42Å; Y300-Y303 VanDerWaalsContact CE1-CZ 3.42Å; Y300-Y303 WeakPolarHBondContact CE1-OH 3.29Å; Y300-Y303 HydrophobicContact CE2-CD1 4.42Å; Y300-Y303 AromaticContact CE2-CE1 3.63Å; Y300-Y303 HydrophobicContact CE2-CE1 3.63Å; Y300-Y303 AromaticContact CE2-CZ 3.76Å; Y300-Y303 AromaticContact CZ-CD1 3.72Å; Y300-Y303 AromaticContact CZ-CE1 3.09Å; Y300-Y303 AromaticContact CZ-CE2 3.57Å; Y300-Y303 AromaticContact CZ-CZ 2.96Å; Y300-Y303 WeakPolarHBondContact OH-CD1 3Å; Y300-Y303 WeakPolarHBondContact OH-CD2 3.35Å; Y300-Y303 WeakPolarHBondContact OH-CE1 3.1Å; Y300-Y303 VanDerWaalsContact OH-CE2 3.28Å; Y300-Y303 WeakPolarHBondContact OH-CE2 3.07Å; Y300-Y303 PolarHBondContact OH-N 2.86Å
301	C	39	Very low	47.9	Very low	106 Å²	106	81.6 Å²	81.6	72%	0.716	43%	0.426	S	S	*	.			trans	-98.7	119.5	165	-86.6	0	0	0	0	109.5	D299	D299-C301 VanDerWaalsContact C-N 3.25Å; D299-C301 PolarHBondContact O-N 3.41Å
302	T	33.5	Very low	46.5	Very low	131 Å²	131	78.3 Å²	78.3	80%	0.804	41%	0.414	S	S	*	.			trans	82.8	99.1	166.6	66.6	0	0	0	0	119.4
303	Y	35.2	Very low	44.8	Very low	67 Å²	67	77 Å²	77	26%	0.263	41%	0.411	S	S	.	.				-123.6	136.7	115.6	31.2	-118.8	0	0	0	107.9	S256 A289 Y300 T305	S256-Y303 WeakPolarHBondContact OG-CE2 3.47Å; A289-Y303 HydrophobicContact CB-CD1 4.18Å; A289-Y303 HydrophobicContact CB-CE1 3.2Å; Y300-Y303 HydrophobicContact CE1-CD2 4.3Å; Y300-Y303 HydrophobicContact CE1-CE1 4.01Å; Y300-Y303 AromaticContact CE1-CE2 3.61Å; Y300-Y303 HydrophobicContact CE1-CE2 3.61Å; Y300-Y303 AromaticContact CE1-CZ 3.42Å; Y300-Y303 VanDerWaalsContact CE1-CZ 3.42Å; Y300-Y303 WeakPolarHBondContact CE1-OH 3.29Å; Y300-Y303 HydrophobicContact CE2-CD1 4.42Å; Y300-Y303 AromaticContact CE2-CE1 3.63Å; Y300-Y303 HydrophobicContact CE2-CE1 3.63Å; Y300-Y303 AromaticContact CE2-CZ 3.76Å; Y300-Y303 AromaticContact CZ-CD1 3.72Å; Y300-Y303 AromaticContact CZ-CE1 3.09Å; Y300-Y303 AromaticContact CZ-CE2 3.57Å; Y300-Y303 AromaticContact CZ-CZ 2.96Å; Y300-Y303 WeakPolarHBondContact OH-CD1 3Å; Y300-Y303 WeakPolarHBondContact OH-CD2 3.35Å; Y300-Y303 WeakPolarHBondContact OH-CE1 3.1Å; Y300-Y303 VanDerWaalsContact OH-CE2 3.28Å; Y300-Y303 WeakPolarHBondContact OH-CE2 3.07Å; Y300-Y303 PolarHBondContact OH-N 2.86Å; Y303-T305 PolarHBondContact O-N 2.77Å
304	P	38.5	Very low	43.3	Very low	129 Å²	129	76.9 Å²	76.9	84%	0.838	42%	0.423	S	S	*	.			trans	-83.7	53.6	-173.2	36.8	-35	0	0	0	110.9	R306	P304-R306 PolarHBondContact O-N 3.36Å
305	T	46.3	Very low	42	Very low	57 Å²	57	75.6 Å²	75.6	35%	0.35	44%	0.437	S	S	.	.			trans	-90.7	98.4	166.1	58	0	0	0	0	107.5	Y303	Y303-T305 PolarHBondContact O-N 2.77Å
306	R	49.8	Very low	41.4	Very low	145 Å²	145	76.7 Å²	76.7	55%	0.547	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-64.1	145.8	167.9	-69.5	-177.8	-178.5	-176.1	0.3	108.6	R254 P304 C607	R254-R306 VanDerWaalsContact CD-O 3.31Å; R254-R306 WeakPolarHBondContact CD-O 3.22Å; R254-R306 PolarHBondContact NH1-O 2.83Å; P304-R306 PolarHBondContact O-N 3.36Å; R306-C607 PolarHBondContact NH1-SG 2.74Å; R306-C607 PolarHBondContact NH2-SG 2.87Å
307	P	50.5	Low	41.5	Very low	38 Å²	38	72 Å²	72	25%	0.247	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-64.1	156.9	169.7	28.1	-32.9	0	0	0	110.9	R254 F257 Y311	R254-P307 PolarHBondContact NH1-O 3.18Å; F257-P307 HydrophobicContact CD1-CB 4.48Å; F257-P307 HydrophobicContact CE1-CB 3.88Å; F257-P307 HydrophobicContact CE2-CB 4.17Å; F257-P307 HydrophobicContact CZ-CB 3.71Å; F257-P307 HydrophobicContact CZ-CG 4.25Å; P307-Y311 HydrophobicContact CB-CD2 3.82Å; P307-Y311 HydrophobicContact CB-CE2 3.94Å
308	R	51.5	Low	42.1	Very low	0 Å²	0	69.7 Å²	69.7	0%	0	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-75	145.3	176.8	-69.7	176.7	-169.8	-87.5	-3.7	110.8	L214 S216 D217 E224 N252 R254 C310 Y311	L214-R308 PolarHBondContact O-NH1 3.49Å; L214-R308 PolarHBondContact O-NH2 2.81Å; S216-R308 PolarHBondContact O-NH1 2.88Å; S216-R308 VanDerWaalsContact O-NH1 3.08Å; D217-R308 CarbonylContact O-C 3.58Å; D217-R308 WeakPolarHBondContact O-CA 3.24Å; D217-R308 WeakPolarHBondContact O-CB 2.93Å; E224-R308 VanDerWaalsContact CD-NE 3.32Å; E224-R308 IonicContact OE1-CZ 2.76Å; E224-R308 IonicContact OE1-NE 2.86Å; E224-R308 PolarHBondContact OE1-NE 3.35Å; E224-R308 IonicContact OE1-NH2 3.32Å; E224-R308 PolarHBondContact OE1-NH2 2.91Å; E224-R308 VanDerWaalsContact OE2-CD 3.28Å; E224-R308 WeakPolarHBondContact OE2-CD 3.38Å; E224-R308 IonicContact OE2-NE 3.7Å; E224-R308 PolarHBondContact OE2-NE 3.16Å; N252-R308 PolarHBondContact O-NH2 2.91Å; R254-R308 VanDerWaalsContact NH1-CA 3.32Å; R308-C310 WeakPolarHBondContact CB-SG 3.08Å; R308-C310 PolarHBondContact O-N 2.92Å; R308-Y311 WeakPolarHBondContact O-CD2 3.29Å; R308-Y311 PolarHBondContact O-N 2.78Å; R308-Y311 VanDerWaalsContact O-N 3.12Å
309	I	44.5	Very low	43.5	Very low	45 Å²	45	67.4 Å²	67.4	23%	0.231	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-3.6	168.9	-57.4	-178.7	0	0	0	111.8	D217 R218 Y311 L312	D217-I309 HydrophobicContact CB-CD1 3.78Å; D217-I309 HydrophobicContact CB-CG1 3.83Å; D217-I309 WeakPolarHBondContact O-CA 3.39Å; D217-I309 WeakPolarHBondContact O-CB 3.25Å; D217-I309 WeakPolarHBondContact O-CG1 3.23Å; D217-I309 PolarHBondContact O-N 3.16Å; R218-I309 HydrophobicContact CB-CD1 4.23Å; R218-I309 HydrophobicContact CB-CG2 4.31Å; R218-I309 HydrophobicContact CG-CD1 3.41Å; R218-I309 VanDerWaalsContact CG-CD1 3.41Å; R218-I309 HydrophobicContact CG-CG1 4.45Å; R218-I309 HydrophobicContact CG-CG2 4.19Å; I309-Y311 CarbonylContact O-C 3.47Å; I309-Y311 PolarHBondContact O-N 3.1Å; I309-Y311 VanDerWaalsContact O-N 3.13Å; I309-L312 VanDerWaalsContact C-N 3.31Å; I309-L312 HydrophobicContact CB-CB 4.15Å; I309-L312 HydrophobicContact CB-CD1 3.81Å; I309-L312 HydrophobicContact CB-CG 4.1Å; I309-L312 HydrophobicContact CD1-CD1 4.21Å; I309-L312 HydrophobicContact CG1-CD1 3.72Å; I309-L312 HydrophobicContact CG1-CG 4.41Å; I309-L312 HydrophobicContact CG2-CB 3.59Å; I309-L312 HydrophobicContact CG2-CD1 3.53Å; I309-L312 HydrophobicContact CG2-CG 3.94Å; I309-L312 CarbonylContact O-C 3.58Å; I309-L312 WeakPolarHBondContact O-CA 3.41Å; I309-L312 WeakPolarHBondContact O-CB 3.38Å; I309-L312 PolarHBondContact O-N 2.81Å
310	C	37.4	Very low	45.6	Very low	8 Å²	8	60.6 Å²	60.6	5%	0.054	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-34.5	163.2	-18.7	0	0	0	0	112.8	L219 E220 V221 R308 L312 S313	L219-C310 WeakPolarHBondContact O-CA 3.44Å; L219-C310 VanDerWaalsContact O-CB 3.31Å; L219-C310 WeakPolarHBondContact O-CB 3.09Å; L219-C310 PolarHBondContact O-N 3.31Å; L219-C310 PolarHBondContact O-SG 2.93Å; E220-C310 HydrophobicContact CB-CB 4.47Å; V221-C310 HydrophobicContact CG2-CB 4.25Å; V221-C310 WeakPolarHBondContact CG2-SG 3.29Å; V221-C310 PolarHBondContact N-SG 2.79Å; V221-C310 WeakPolarHBondContact O-CB 3.39Å; R308-C310 WeakPolarHBondContact CB-SG 3.08Å; R308-C310 PolarHBondContact O-N 2.92Å; C310-L312 PolarHBondContact O-N 2.82Å; C310-S313 PolarHBondContact O-N 3.11Å; C310-S313 PolarHBondContact O-OG 3.03Å
311	Y	36.9	Very low	48.1	Very low	48 Å²	48	58 Å²	58	19%	0.188	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-38.9	172.9	-59.2	-58.9	0	0	0	106.3	P307 R308 I309 S313 N603	P307-Y311 HydrophobicContact CB-CD2 3.82Å; P307-Y311 HydrophobicContact CB-CE2 3.94Å; R308-Y311 WeakPolarHBondContact O-CD2 3.29Å; R308-Y311 PolarHBondContact O-N 2.78Å; R308-Y311 VanDerWaalsContact O-N 3.12Å; I309-Y311 CarbonylContact O-C 3.47Å; I309-Y311 PolarHBondContact O-N 3.1Å; I309-Y311 VanDerWaalsContact O-N 3.13Å; Y311-S313 VanDerWaalsContact C-N 3.33Å; Y311-S313 PolarHBondContact O-N 2.86Å; Y311-S313 VanDerWaalsContact O-N 3.12Å; Y311-N603 VanDerWaalsContact CB-CB 3.42Å; Y311-N603 WeakPolarHBondContact O-CB 3.28Å; Y311-N603 PolarHBondContact O-ND2 3.26Å
312	L	37.6	Very low	50.8	Low	57 Å²	57	53 Å²	53	30%	0.298	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	4.7	174.2	-60.4	-177.7	0	0	0	119.1	I309 C310 G314 N603 D604	I309-L312 VanDerWaalsContact C-N 3.31Å; I309-L312 HydrophobicContact CB-CB 4.15Å; I309-L312 HydrophobicContact CB-CD1 3.81Å; I309-L312 HydrophobicContact CB-CG 4.1Å; I309-L312 HydrophobicContact CD1-CD1 4.21Å; I309-L312 HydrophobicContact CG1-CD1 3.72Å; I309-L312 HydrophobicContact CG1-CG 4.41Å; I309-L312 HydrophobicContact CG2-CB 3.59Å; I309-L312 HydrophobicContact CG2-CD1 3.53Å; I309-L312 HydrophobicContact CG2-CG 3.94Å; I309-L312 CarbonylContact O-C 3.58Å; I309-L312 WeakPolarHBondContact O-CA 3.41Å; I309-L312 WeakPolarHBondContact O-CB 3.38Å; I309-L312 PolarHBondContact O-N 2.81Å; C310-L312 PolarHBondContact O-N 2.82Å; L312-G314 CarbonylContact O-C 3.4Å; L312-G314 PolarHBondContact O-N 3.17Å; L312-N603 HydrophobicContact CD2-CB 4.28Å; L312-D604 HydrophobicContact CD1-CB 4.37Å; L312-D604 WeakPolarHBondContact CD1-OD2 3.4Å; L312-D604 HydrophobicContact CD2-CB 3.68Å; L312-D604 HydrophobicContact CG-CB 4.12Å; L312-D604 WeakPolarHBondContact CG-OD2 3.4Å
313	S	27.9	Very low	53.9	Low	57 Å²	57	46.7 Å²	46.7	40%	0.399	28%	0.28	S	S	.	.			trans	-43.2	107.9	-176.5	-69.2	0	0	0	0	113.3	E220 C310 Y311	E220-S313 WeakPolarHBondContact CG-OG 3.25Å; E220-S313 WeakPolarHBondContact OE1-CA 3.48Å; E220-S313 PolarHBondContact OE1-OG 3.06Å; E220-S313 WeakPolarHBondContact OE2-CB 3.42Å; E220-S313 PolarHBondContact OE2-OG 2.96Å; C310-S313 PolarHBondContact O-N 3.11Å; C310-S313 PolarHBondContact O-OG 3.03Å; Y311-S313 VanDerWaalsContact C-N 3.33Å; Y311-S313 PolarHBondContact O-N 2.86Å; Y311-S313 VanDerWaalsContact O-N 3.12Å
314	G	27.6	Very low	57	Low	44 Å²	44	43.5 Å²	43.5	45%	0.454	27%	0.267	S	S	.	.	S	Bend	trans	90.4	107.3	-176.2	0	0	0	0	0	113.1	L312 S316 G317	L312-G314 CarbonylContact O-C 3.4Å; L312-G314 PolarHBondContact O-N 3.17Å; G314-S316 PolarHBondContact O-N 3.45Å; G314-G317 WeakPolarHBondContact O-CA 3.22Å; G314-G317 PolarHBondContact O-N 2.62Å
315	G	32.9	Very low	59.8	Low	80 Å²	80	37.4 Å²	37.4	83%	0.825	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-36.7	130.6	-179	0	0	0	0	0	114.6	G317	G315-G317 PolarHBondContact O-N 3.28Å; G315-G317 VanDerWaalsContact O-N 3.09Å
316	S	43.8	Very low	62.3	Low	100 Å²	100	34.7 Å²	34.7	70%	0.699	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	13.5	-176.1	-141.7	0	0	0	0	115.2	G314 A318	G314-S316 PolarHBondContact O-N 3.45Å; S316-A318 PolarHBondContact O-N 2.99Å
317	G	56.9	Low	64.6	Low	10 Å²	10	29.9 Å²	29.9	10%	0.103	20%	0.195	C	C	.	.			trans	-76.6	103.1	-178.2	0	0	0	0	0	111.9	G314 G315 R319	G314-G317 WeakPolarHBondContact O-CA 3.22Å; G314-G317 PolarHBondContact O-N 2.62Å; G315-G317 PolarHBondContact O-N 3.28Å; G315-G317 VanDerWaalsContact O-N 3.09Å; G317-R319 PolarHBondContact O-N 2.79Å
318	A	64.1	Low	66.7	Low	5 Å²	5	30.1 Å²	30.1	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	138.8	164.2	0	0	0	0	0	110.9	S316 G320 F340 R553 L600 I601	S316-A318 PolarHBondContact O-N 2.99Å; A318-G320 PolarHBondContact O-N 3.42Å; A318-F340 HydrophobicContact CB-CD2 4.26Å; A318-F340 HydrophobicContact CB-CE2 3.9Å; A318-F340 WeakPolarHBondContact O-CD2 3.38Å; A318-R553 HydrophobicContact CB-CG 4.43Å; A318-L600 HydrophobicContact CB-CB 3.8Å; A318-L600 HydrophobicContact CB-CD1 3.87Å; A318-L600 HydrophobicContact CB-CD2 4.01Å; A318-L600 HydrophobicContact CB-CG 4.11Å; A318-I601 CarbonylContact C-O 3.51Å; A318-I601 WeakPolarHBondContact CA-O 3.34Å
319	R	74.4	Confident	68.6	Low	91 Å²	91	35.1 Å²	35.1	34%	0.343	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	-38.4	168.4	-164.8	-175.9	168.9	158.5	-5.3	111.7	G317 F337 F340 I601 N603	G317-R319 PolarHBondContact O-N 2.79Å; R319-F337 HydrophobicContact CB-CZ 4.38Å; R319-F337 HydrophobicContact CG-CZ 3.99Å; R319-F340 PolarHBondContact O-N 3.35Å; R319-I601 WeakPolarHBondContact CA-O 3.21Å; R319-I601 HydrophobicContact CB-CB 4.41Å; R319-I601 HydrophobicContact CB-CG2 4.2Å; R319-I601 VanDerWaalsContact CB-O 3.27Å; R319-I601 WeakPolarHBondContact CB-O 3.46Å; R319-I601 PolarHBondContact N-O 2.9Å; R319-N603 VanDerWaalsContact CA-ND2 3.26Å; R319-N603 WeakPolarHBondContact CA-ND2 2.98Å; R319-N603 VanDerWaalsContact CB-CG 3.47Å; R319-N603 VanDerWaalsContact CB-ND2 3.27Å; R319-N603 WeakPolarHBondContact CB-ND2 3.41Å; R319-N603 WeakPolarHBondContact CB-OD1 3.35Å; R319-N603 WeakPolarHBondContact CD-OD1 3.47Å; R319-N603 WeakPolarHBondContact CG-OD1 3.35Å; R319-N603 PolarHBondContact N-ND2 2.85Å
320	G	88.5	Confident	71.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	178.1	-169.4	0	0	0	0	0	112.7	A318 L338 I601	A318-G320 PolarHBondContact O-N 3.42Å; G320-L338 CarbonylContact C-O 3.59Å; G320-L338 WeakPolarHBondContact CA-O 3.35Å; G320-I601 PolarHBondContact O-N 3.02Å
321	L	93.5	Very high	73.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.4	177.5	170.9	69.9	0	0	0	109.2	V323 F337 L338 F340 W345 C551 I560 I572 V598 L600	L321-V323 HydrophobicContact CD2-CG2 4.15Å; L321-V323 HydrophobicContact CG-CG2 4.1Å; L321-F337 CarbonylContact O-C 3.54Å; L321-F337 WeakPolarHBondContact O-CA 3.37Å; L321-L338 HydrophobicContact CB-CB 4.28Å; L321-L338 PolarHBondContact N-O 2.92Å; L321-L338 PolarHBondContact O-N 3.37Å; L321-F340 HydrophobicContact CB-CE1 4.32Å; L321-F340 HydrophobicContact CB-CZ 3.93Å; L321-W345 HydrophobicContact CD2-CH2 4.34Å; L321-C551 VanDerWaalsContact CD1-SG 3.56Å; L321-I560 HydrophobicContact CD1-CD1 4.08Å; L321-I560 HydrophobicContact CD2-CD1 3.97Å; L321-I560 HydrophobicContact CD2-CG1 3.77Å; L321-I560 HydrophobicContact CD2-CG2 4.28Å; L321-I572 HydrophobicContact CD2-CD1 4.12Å; L321-V598 HydrophobicContact CD1-CB 4.41Å; L321-L600 HydrophobicContact CB-CD2 4.32Å; L321-L600 HydrophobicContact CD1-CD2 4.15Å
322	M	96.7	Very high	76.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.8	173.3	-173.3	-174.7	178.3	0	0	109.8	I324 V335 F337 L348 I367 F385 W392 V598 T599 I601	M322-I324 HydrophobicContact CE-CD1 3.66Å; M322-I324 HydrophobicContact CE-CG1 3.9Å; M322-I324 HydrophobicContact CG-CD1 4.17Å; M322-I324 HydrophobicContact CG-CG1 3.87Å; M322-I324 HydrophobicContact SD-CD1 3.83Å; M322-I324 HydrophobicContact SD-CG1 4.17Å; M322-V335 HydrophobicContact CE-CG1 3.28Å; M322-V335 HydrophobicContact CG-CG1 4.06Å; M322-V335 HydrophobicContact SD-CG1 4.49Å; M322-F337 HydrophobicContact CB-CD2 4.45Å; M322-L348 HydrophobicContact CE-CD1 4.23Å; M322-L348 HydrophobicContact CG-CD1 4.42Å; M322-L348 HydrophobicContact SD-CD1 4.48Å; M322-I367 HydrophobicContact SD-CD1 4.26Å; M322-I367 HydrophobicContact SD-CG2 4.43Å; M322-F385 HydrophobicContact CE-CD1 3.4Å; M322-F385 VanDerWaalsContact CE-CD1 3.4Å; M322-F385 HydrophobicContact CE-CD2 4.49Å; M322-F385 HydrophobicContact CE-CE1 3.47Å; M322-F385 VanDerWaalsContact CE-CE1 3.47Å; M322-F385 HydrophobicContact CE-CG 3.93Å; M322-F385 HydrophobicContact CE-CZ 4.07Å; M322-F385 HydrophobicContact SD-CD1 4.09Å; M322-F385 HydrophobicContact SD-CE1 4.16Å; M322-W392 HydrophobicContact CE-CZ2 4.22Å; M322-V598 WeakPolarHBondContact O-CA 3.3Å; M322-T599 HydrophobicContact CB-CG2 4.22Å; M322-T599 PolarHBondContact N-O 2.62Å; M322-T599 PolarHBondContact O-N 3.28Å; M322-I601 HydrophobicContact CB-CD1 3.9Å; M322-I601 HydrophobicContact CB-CG1 3.81Å; M322-I601 HydrophobicContact SD-CD1 3.83Å
323	V	98.3	Very high	79.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.3	177	-171.5	0	0	0	0	109	L321 V335 D336 W345 I560 M589 R593 A596 G597 V598	L321-V323 HydrophobicContact CD2-CG2 4.15Å; L321-V323 HydrophobicContact CG-CG2 4.1Å; V323-V335 WeakPolarHBondContact O-CA 3.18Å; V323-D336 PolarHBondContact N-O 3.36Å; V323-D336 PolarHBondContact O-N 2.89Å; V323-W345 HydrophobicContact CG2-CH2 3.87Å; V323-W345 HydrophobicContact CG2-CZ3 4.05Å; V323-I560 HydrophobicContact CG2-CG2 3.98Å; V323-M589 HydrophobicContact CB-SD 4.35Å; V323-M589 HydrophobicContact CG1-SD 3.92Å; V323-M589 HydrophobicContact CG2-SD 3.94Å; V323-R593 VanDerWaalsContact CG1-CZ 3.48Å; V323-A596 HydrophobicContact CG1-CB 3.83Å; V323-G597 CarbonylContact C-O 3.55Å; V323-G597 WeakPolarHBondContact CA-O 3.23Å; V323-V598 HydrophobicContact CG1-CG1 4.2Å; V323-V598 HydrophobicContact CG2-CG1 4.28Å
324	I	98.5	Very high	83.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.4	-165	-45.1	-177	0	0	0	109.3	M322 G326 V335 L351 F358 V360 I367 W392 G597	M322-I324 HydrophobicContact CE-CD1 3.66Å; M322-I324 HydrophobicContact CE-CG1 3.9Å; M322-I324 HydrophobicContact CG-CD1 4.17Å; M322-I324 HydrophobicContact CG-CG1 3.87Å; M322-I324 HydrophobicContact SD-CD1 3.83Å; M322-I324 HydrophobicContact SD-CG1 4.17Å; I324-G326 PolarHBondContact O-N 3.49Å; I324-V335 HydrophobicContact CG1-CG1 4.39Å; I324-V335 HydrophobicContact CG2-CG2 3.99Å; I324-L351 HydrophobicContact CG2-CD1 3.9Å; I324-L351 HydrophobicContact CG2-CD2 3.99Å; I324-L351 HydrophobicContact CG2-CG 3.95Å; I324-F358 HydrophobicContact CB-CE2 4.31Å; I324-F358 HydrophobicContact CB-CZ 3.97Å; I324-F358 HydrophobicContact CG2-CE2 4.13Å; I324-F358 HydrophobicContact CG2-CZ 3.84Å; I324-F358 WeakPolarHBondContact O-CZ 3.47Å; I324-V360 HydrophobicContact CD1-CG1 4.29Å; I324-V360 HydrophobicContact CD1-CG2 4.12Å; I324-I367 HydrophobicContact CD1-CG2 3.75Å; I324-W392 HydrophobicContact CD1-CH2 4.29Å; I324-W392 HydrophobicContact CG2-CH2 3.87Å; I324-W392 HydrophobicContact CG2-CZ2 3.96Å; I324-G597 PolarHBondContact N-O 2.85Å; I324-G597 PolarHBondContact O-N 2.76Å
325	G	98.4	Very high	86.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.			trans	55	-135.8	173.1	0	0	0	0	0	112.8	I332 E334 R593	G325-I332 WeakPolarHBondContact O-CD1 3.31Å; G325-I332 WeakPolarHBondContact O-CG1 3.34Å; G325-E334 WeakPolarHBondContact CA-O 3.45Å; G325-E334 PolarHBondContact N-O 2.77Å; G325-R593 WeakPolarHBondContact O-CD 3.39Å
326	G	98.3	Very high	89.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.			trans	104.3	-163.7	-179.4	0	0	0	0	0	112.8	I324 A331 I332 R355 C356 S594	I324-G326 PolarHBondContact O-N 3.49Å; G326-A331 WeakPolarHBondContact O-CA 3.43Å; G326-I332 PolarHBondContact O-N 3.22Å; G326-R355 PolarHBondContact N-O 3.33Å; G326-C356 WeakPolarHBondContact O-CB 3.49Å; G326-S594 CarbonylContact C-O 3.6Å; G326-S594 WeakPolarHBondContact CA-O 3.44Å
327	Q	98.3	Very high	92	Very high	44 Å²	44	30.6 Å²	30.6	21%	0.206	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-120.6	121.8	-174.1	-173.8	176.9	-45.4	0	0	110.9	P329 K330 C356 N568 R593 S594	Q327-P329 WeakPolarHBondContact CG-O 3.34Å; Q327-P329 PolarHBondContact NE2-O 3.16Å; Q327-K330 CarbonylContact C-O 3.34Å; Q327-K330 WeakPolarHBondContact CA-O 3.15Å; Q327-C356 HydrophobicContact CB-CB 4.16Å; Q327-N568 PolarHBondContact O-ND2 2.99Å; Q327-R593 WeakPolarHBondContact O-CA 3.01Å; Q327-S594 PolarHBondContact N-O 3.44Å; Q327-S594 PolarHBondContact O-N 3.49Å
328	S	95.6	Very high	93.8	Very high	44 Å²	44	30.1 Å²	30.1	31%	0.308	15%	0.146	S	C	.	.	S	Bend	trans	-158.9	90.9	175.6	-162.5	0	0	0	0	113.6	K330 G592	S328-K330 PolarHBondContact N-O 3.14Å; S328-G592 VanDerWaalsContact CB-O 3.23Å; S328-G592 WeakPolarHBondContact CB-O 3.39Å; S328-G592 PolarHBondContact OG-O 3.42Å
329	P	90.9	Very high	94.6	Very high	104 Å²	104	31.2 Å²	31.2	68%	0.675	15%	0.151	S	C	*	.	S	Bend	cis	-74.5	-10.1	-31.6	35.3	-35.2	0	0	0	112.2	Q327	Q327-P329 WeakPolarHBondContact CG-O 3.34Å; Q327-P329 PolarHBondContact NE2-O 3.16Å
330	K	95.9	Very high	95.1	Very high	156 Å²	156	28 Å²	28	68%	0.678	14%	0.14	S	C	*	.	S	Bend	trans	-96	171.2	171.9	-66.6	-177.5	-179.7	177.4	0	109.9	Q327 S328 I332	Q327-K330 CarbonylContact C-O 3.34Å; Q327-K330 WeakPolarHBondContact CA-O 3.15Å; S328-K330 PolarHBondContact N-O 3.14Å; K330-I332 WeakPolarHBondContact O-CG2 3.24Å; K330-I332 PolarHBondContact O-N 3.01Å
331	A	97.9	Very high	94.5	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-58.1	134.6	171.8	0	0	0	0	0	110.7	G326 R354 C356	G326-A331 WeakPolarHBondContact O-CA 3.43Å; A331-R354 HydrophobicContact CB-CB 3.9Å; A331-R354 VanDerWaalsContact O-CD 3.27Å; A331-R354 WeakPolarHBondContact O-CD 3.37Å; A331-R354 WeakPolarHBondContact O-CG 3.42Å; A331-R354 PolarHBondContact O-NH1 2.95Å; A331-R354 VanDerWaalsContact O-NH1 3.16Å; A331-C356 HydrophobicContact CB-CB 4.22Å
332	I	98.4	Very high	93.7	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.056	20%	0.199	C	C	.	.			trans	-117.9	170.1	-176.1	79.8	176.7	0	0	0	110.6	G325 G326 K330 E334 R354 R355 I591 R593	G325-I332 WeakPolarHBondContact O-CD1 3.31Å; G325-I332 WeakPolarHBondContact O-CG1 3.34Å; G326-I332 PolarHBondContact O-N 3.22Å; K330-I332 WeakPolarHBondContact O-CG2 3.24Å; K330-I332 PolarHBondContact O-N 3.01Å; I332-E334 WeakPolarHBondContact CB-OE2 3.38Å; I332-E334 HydrophobicContact CD1-CB 4.38Å; I332-R354 WeakPolarHBondContact O-CA 3.34Å; I332-R355 PolarHBondContact O-N 3.27Å; I332-I591 HydrophobicContact CD1-CG2 4.19Å; I332-R593 HydrophobicContact CD1-CB 4.49Å
333	R	98.5	Very high	92.9	Very high	94 Å²	94	42.6 Å²	42.6	36%	0.355	22%	0.22	S	C	.	.			trans	-114.5	-15.1	-177.3	-79.9	174.4	32	148.7	-8.8	113.9	E350 L351 P352 M353 R354	R333-E350 HydrophobicContact CB-CB 4.13Å; R333-E350 HydrophobicContact CB-CG 4.44Å; R333-E350 IonicContact CZ-OE2 2.91Å; R333-E350 IonicContact NE-OE2 2.71Å; R333-E350 PolarHBondContact NE-OE2 3.41Å; R333-E350 IonicContact NH2-OE2 3.37Å; R333-E350 PolarHBondContact NH2-OE2 2.89Å; R333-E350 WeakPolarHBondContact O-CA 3.41Å; R333-L351 HydrophobicContact CB-CB 4.41Å; R333-L351 HydrophobicContact CG-CB 4.44Å; R333-L351 PolarHBondContact NE-O 3.39Å; R333-L351 PolarHBondContact O-N 2.98Å; R333-P352 PolarHBondContact NH1-O 3.48Å; R333-M353 VanDerWaalsContact CG-C 3.46Å; R333-R354 HydrophobicContact CG-CB 4.39Å; R333-R354 HydrophobicContact CG-CG 3.97Å; R333-R354 VanDerWaalsContact CG-N 3.34Å
334	E	98.5	Very high	92.3	Very high	68 Å²	68	44.9 Å²	44.9	32%	0.318	24%	0.236	S	C	.	.			trans	-62.8	138.9	-168.7	-69.8	84.5	150.2	0	0	110.2	G325 I332 I591	G325-E334 WeakPolarHBondContact CA-O 3.45Å; G325-E334 PolarHBondContact N-O 2.77Å; I332-E334 WeakPolarHBondContact CB-OE2 3.38Å; I332-E334 HydrophobicContact CD1-CB 4.38Å; E334-I591 HydrophobicContact CB-CD1 3.86Å; E334-I591 HydrophobicContact CG-CD1 3.74Å
335	V	98.5	Very high	92	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.6	-179.2	-178.2	0	0	0	0	106.8	M322 V323 I324 S347 L348 L351 W392	M322-V335 HydrophobicContact CE-CG1 3.28Å; M322-V335 HydrophobicContact CG-CG1 4.06Å; M322-V335 HydrophobicContact SD-CG1 4.49Å; V323-V335 WeakPolarHBondContact O-CA 3.18Å; I324-V335 HydrophobicContact CG1-CG1 4.39Å; I324-V335 HydrophobicContact CG2-CG2 3.99Å; V335-S347 WeakPolarHBondContact O-CA 3.49Å; V335-L348 HydrophobicContact CB-CB 4.22Å; V335-L348 HydrophobicContact CG1-CB 3.9Å; V335-L348 HydrophobicContact CG1-CD1 4.26Å; V335-L348 PolarHBondContact O-N 3.33Å; V335-L351 HydrophobicContact CG2-CG 4.34Å; V335-W392 HydrophobicContact CG2-CZ2 4.07Å
336	D	97.7	Very high	91.5	Very high	3 Å²	3	50 Å²	50	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.9	-177.3	-55.9	-71.9	0	0	0	109.8	V323 W345 S347 R593	V323-D336 PolarHBondContact N-O 3.36Å; V323-D336 PolarHBondContact O-N 2.89Å; D336-W345 HydrophobicContact CB-CE3 3.69Å; D336-W345 HydrophobicContact CB-CZ3 3.88Å; D336-S347 PolarHBondContact OD1-OG 3.37Å; D336-R593 IonicContact OD2-CZ 3.19Å; D336-R593 IonicContact OD2-NH1 3.28Å; D336-R593 PolarHBondContact OD2-NH1 2.87Å; D336-R593 IonicContact OD2-NH2 3.57Å; D336-R593 PolarHBondContact OD2-NH2 3.42Å
337	F	95.3	Very high	91.3	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.3	-178.5	174.4	-110.3	0	0	0	109.7	R319 L321 M322 D339 W345 T346 L348 F387 I601	R319-F337 HydrophobicContact CB-CZ 4.38Å; R319-F337 HydrophobicContact CG-CZ 3.99Å; L321-F337 CarbonylContact O-C 3.54Å; L321-F337 WeakPolarHBondContact O-CA 3.37Å; M322-F337 HydrophobicContact CB-CD2 4.45Å; F337-D339 HydrophobicContact CD1-CB 4.4Å; F337-D339 HydrophobicContact CE1-CB 3.74Å; F337-D339 HydrophobicContact CZ-CB 4.35Å; F337-W345 CarbonylContact O-C 3.57Å; F337-W345 WeakPolarHBondContact O-CA 3.33Å; F337-T346 PolarHBondContact N-O 3.25Å; F337-T346 PolarHBondContact O-N 3.44Å; F337-T346 PolarHBondContact O-OG1 2.96Å; F337-L348 HydrophobicContact CB-CD1 3.74Å; F337-L348 HydrophobicContact CB-CD2 4.36Å; F337-L348 HydrophobicContact CB-CG 3.86Å; F337-L348 HydrophobicContact CG-CD1 4.4Å; F337-F387 HydrophobicContact CD1-CZ 4.13Å; F337-F387 AromaticContact CD2-CE2 3.8Å; F337-F387 HydrophobicContact CD2-CE2 3.8Å; F337-F387 AromaticContact CD2-CZ 3.93Å; F337-F387 HydrophobicContact CD2-CZ 3.93Å; F337-F387 AromaticContact CE1-CZ 3.98Å; F337-F387 HydrophobicContact CE1-CZ 3.98Å; F337-F387 AromaticContact CE2-CE2 3.94Å; F337-F387 HydrophobicContact CE2-CE2 3.94Å; F337-F387 AromaticContact CE2-CZ 3.76Å; F337-F387 HydrophobicContact CE2-CZ 3.76Å; F337-F387 HydrophobicContact CG-CE2 4.17Å; F337-F387 HydrophobicContact CG-CZ 4.12Å; F337-F387 HydrophobicContact CZ-CE2 4.44Å; F337-F387 AromaticContact CZ-CZ 3.8Å; F337-F387 HydrophobicContact CZ-CZ 3.8Å; F337-I601 HydrophobicContact CD2-CG1 4.09Å; F337-I601 HydrophobicContact CE2-CB 3.95Å; F337-I601 HydrophobicContact CE2-CG1 3.81Å
338	L	92.7	Very high	91	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.5	169.1	171.3	67.8	0	0	0	108.2	G320 L321 F340 S344 W345 F585 P587	G320-L338 CarbonylContact C-O 3.59Å; G320-L338 WeakPolarHBondContact CA-O 3.35Å; L321-L338 HydrophobicContact CB-CB 4.28Å; L321-L338 PolarHBondContact N-O 2.92Å; L321-L338 PolarHBondContact O-N 3.37Å; L338-F340 HydrophobicContact CD2-CD1 4.11Å; L338-F340 HydrophobicContact CD2-CE1 3.84Å; L338-F340 HydrophobicContact CG-CD1 4.35Å; L338-F340 HydrophobicContact CG-CE1 4.45Å; L338-S344 WeakPolarHBondContact CA-O 3.38Å; L338-W345 HydrophobicContact CB-CD2 3.88Å; L338-W345 HydrophobicContact CB-CE3 3.8Å; L338-W345 HydrophobicContact CB-CH2 3.64Å; L338-W345 HydrophobicContact CB-CZ2 3.71Å; L338-W345 HydrophobicContact CB-CZ3 3.7Å; L338-W345 HydrophobicContact CD1-CD2 4.38Å; L338-W345 HydrophobicContact CD1-CZ2 4.48Å; L338-W345 HydrophobicContact CD2-CZ2 4.11Å; L338-W345 HydrophobicContact CG-CZ2 4.32Å; L338-F585 HydrophobicContact CD1-CE1 4.47Å; L338-F585 HydrophobicContact CD2-CD1 4.37Å; L338-F585 HydrophobicContact CD2-CE1 3.42Å; L338-F585 VanDerWaalsContact CD2-CE1 3.42Å; L338-F585 HydrophobicContact CD2-CZ 3.83Å; L338-P587 HydrophobicContact CD1-CG 4.13Å
339	D	82.9	Confident	90.8	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.2	170.3	-176	-60.4	0	0	0	109	F337 H341 T342 S343 S344	F337-D339 HydrophobicContact CD1-CB 4.4Å; F337-D339 HydrophobicContact CE1-CB 3.74Å; F337-D339 HydrophobicContact CZ-CB 4.35Å; D339-H341 VanDerWaalsContact C-N 3.31Å; D339-H341 PolarHBondContact O-N 3.31Å; D339-H341 WeakPolarHBondContact OD1-CA 3.33Å; D339-H341 VanDerWaalsContact OD1-CB 3.32Å; D339-H341 WeakPolarHBondContact OD1-CB 3.39Å; D339-H341 PolarHBondContact OD1-N 3.32Å; D339-T342 WeakPolarHBondContact CB-OG1 3.3Å; D339-T342 PolarHBondContact OD1-N 2.84Å; D339-T342 PolarHBondContact OD1-OG1 3Å; D339-S343 WeakPolarHBondContact O-CA 3.44Å; D339-S343 PolarHBondContact O-N 2.8Å; D339-S344 PolarHBondContact N-O 3.12Å; D339-S344 PolarHBondContact O-N 3.49Å
340	F	83.2	Confident	91.2	Very high	23 Å²	23	56.6 Å²	56.6	10%	0.101	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-23.1	-177.2	-72	-45.3	0	0	0	113.3	A318 R319 L321 L338 Y558 L600	A318-F340 HydrophobicContact CB-CD2 4.26Å; A318-F340 HydrophobicContact CB-CE2 3.9Å; A318-F340 WeakPolarHBondContact O-CD2 3.38Å; R319-F340 PolarHBondContact O-N 3.35Å; L321-F340 HydrophobicContact CB-CE1 4.32Å; L321-F340 HydrophobicContact CB-CZ 3.93Å; L338-F340 HydrophobicContact CD2-CD1 4.11Å; L338-F340 HydrophobicContact CD2-CE1 3.84Å; L338-F340 HydrophobicContact CG-CD1 4.35Å; L338-F340 HydrophobicContact CG-CE1 4.45Å; F340-Y558 HydrophobicContact CE1-CE1 4.16Å; F340-Y558 HydrophobicContact CZ-CE1 4.4Å; F340-L600 HydrophobicContact CE2-CD2 3.84Å; F340-L600 HydrophobicContact CZ-CD2 3.94Å
341	H	76.4	Confident	91.3	Very high	164 Å²	164	49.2 Å²	49.2	76%	0.759	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-48.8	179.7	-180	80.7	0	0	0	110.2	D339 S343	D339-H341 VanDerWaalsContact C-N 3.31Å; D339-H341 PolarHBondContact O-N 3.31Å; D339-H341 WeakPolarHBondContact OD1-CA 3.33Å; D339-H341 VanDerWaalsContact OD1-CB 3.32Å; D339-H341 WeakPolarHBondContact OD1-CB 3.39Å; D339-H341 PolarHBondContact OD1-N 3.32Å; H341-S343 VanDerWaalsContact C-N 3.35Å
342	T	76.2	Confident	91.2	Very high	81 Å²	81	52.2 Å²	52.2	50%	0.497	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.1	178.7	64.5	0	0	0	0	113.4	D339 S344	D339-T342 WeakPolarHBondContact CB-OG1 3.3Å; D339-T342 PolarHBondContact OD1-N 2.84Å; D339-T342 PolarHBondContact OD1-OG1 3Å; T342-S344 PolarHBondContact O-N 2.91Å; T342-S344 PolarHBondContact OG1-OG 3.46Å
343	S	81.7	Confident	91.1	Very high	62 Å²	62	54.9 Å²	54.9	43%	0.434	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	42.3	-173.3	-64.3	0	0	0	0	112.6	D339 H341 P587	D339-S343 WeakPolarHBondContact O-CA 3.44Å; D339-S343 PolarHBondContact O-N 2.8Å; H341-S343 VanDerWaalsContact C-N 3.35Å; S343-P587 WeakPolarHBondContact O-CD 3.41Å; S343-P587 VanDerWaalsContact O-CG 3.26Å; S343-P587 WeakPolarHBondContact O-CG 3.38Å
344	S	83.7	Confident	91.1	Very high	48 Å²	48	56.7 Å²	56.7	34%	0.336	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.5	-174.9	75.4	0	0	0	0	112.4	L338 D339 T342	L338-S344 WeakPolarHBondContact CA-O 3.38Å; D339-S344 PolarHBondContact N-O 3.12Å; D339-S344 PolarHBondContact O-N 3.49Å; T342-S344 PolarHBondContact O-N 2.91Å; T342-S344 PolarHBondContact OG1-OG 3.46Å
345	W	92.8	Very high	91.1	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.163	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.8	176.6	-72.5	97.6	0	0	0	111.1	L321 V323 D336 F337 L338 I572 P587 S588 M589 P590	L321-W345 HydrophobicContact CD2-CH2 4.34Å; V323-W345 HydrophobicContact CG2-CH2 3.87Å; V323-W345 HydrophobicContact CG2-CZ3 4.05Å; D336-W345 HydrophobicContact CB-CE3 3.69Å; D336-W345 HydrophobicContact CB-CZ3 3.88Å; F337-W345 CarbonylContact O-C 3.57Å; F337-W345 WeakPolarHBondContact O-CA 3.33Å; L338-W345 HydrophobicContact CB-CD2 3.88Å; L338-W345 HydrophobicContact CB-CE3 3.8Å; L338-W345 HydrophobicContact CB-CH2 3.64Å; L338-W345 HydrophobicContact CB-CZ2 3.71Å; L338-W345 HydrophobicContact CB-CZ3 3.7Å; L338-W345 HydrophobicContact CD1-CD2 4.38Å; L338-W345 HydrophobicContact CD1-CZ2 4.48Å; L338-W345 HydrophobicContact CD2-CZ2 4.11Å; L338-W345 HydrophobicContact CG-CZ2 4.32Å; W345-I572 HydrophobicContact CH2-CD1 4.09Å; W345-I572 HydrophobicContact CZ2-CD1 3.58Å; W345-P587 PolarHBondContact NE1-O 3.42Å; W345-S588 PolarHBondContact NE1-O 3.09Å; W345-M589 HydrophobicContact CH2-CG 3.67Å; W345-M589 HydrophobicContact CZ2-CB 4.25Å; W345-M589 HydrophobicContact CZ2-CG 3.6Å; W345-P590 HydrophobicContact CB-CG 3.89Å; W345-P590 HydrophobicContact CD2-CG 4.3Å; W345-P590 HydrophobicContact CG-CG 4Å
346	T	88.8	Confident	91.1	Very high	65 Å²	65	53.5 Å²	53.5	40%	0.399	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142	171.2	54.5	0	0	0	0	109.6	F337	F337-T346 PolarHBondContact N-O 3.25Å; F337-T346 PolarHBondContact O-N 3.44Å; F337-T346 PolarHBondContact O-OG1 2.96Å
347	S	93.9	Very high	91.1	Very high	95 Å²	95	57 Å²	57	66%	0.664	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.1	174.9	-59.4	0	0	0	0	110.2	V335 D336	V335-S347 WeakPolarHBondContact O-CA 3.49Å; D336-S347 PolarHBondContact OD1-OG 3.37Å
348	L	92.5	Very high	91.3	Very high	31 Å²	31	57.2 Å²	57.2	16%	0.162	30%	0.295	C	S	.	.			trans	-97.6	179.6	177.2	-63.3	-176.5	0	0	0	110.8	M322 V335 F337 E350 F385 F387 N390	M322-L348 HydrophobicContact CE-CD1 4.23Å; M322-L348 HydrophobicContact CG-CD1 4.42Å; M322-L348 HydrophobicContact SD-CD1 4.48Å; V335-L348 HydrophobicContact CB-CB 4.22Å; V335-L348 HydrophobicContact CG1-CB 3.9Å; V335-L348 HydrophobicContact CG1-CD1 4.26Å; V335-L348 PolarHBondContact O-N 3.33Å; F337-L348 HydrophobicContact CB-CD1 3.74Å; F337-L348 HydrophobicContact CB-CD2 4.36Å; F337-L348 HydrophobicContact CB-CG 3.86Å; F337-L348 HydrophobicContact CG-CD1 4.4Å; L348-E350 PolarHBondContact O-N 3.13Å; L348-F385 HydrophobicContact CB-CZ 4.3Å; L348-F385 HydrophobicContact CD1-CE1 4.07Å; L348-F385 HydrophobicContact CD1-CZ 4.04Å; L348-F387 HydrophobicContact CD1-CD2 4.24Å; L348-F387 HydrophobicContact CD1-CE2 3.72Å; L348-N390 WeakPolarHBondContact CB-OD1 3.31Å
349	K	91.1	Very high	91.5	Very high	126 Å²	126	57.5 Å²	57.5	55%	0.548	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-58.6	124.4	174.7	-175.1	77.9	174.8	-166.5	0	109.8	F385 N390 W392	K349-F385 HydrophobicContact CB-CE2 4.2Å; K349-N390 WeakPolarHBondContact CB-O 3.41Å; K349-N390 WeakPolarHBondContact CB-OD1 3.35Å; K349-N390 PolarHBondContact N-OD1 2.75Å; K349-W392 PolarHBondContact O-NE1 2.74Å
350	E	98	Very high	92.2	Very high	78 Å²	78	57.2 Å²	57.2	36%	0.364	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-61.7	152.4	178	-71.6	-176.1	-164.6	0	0	113.4	R333 L348 W392	R333-E350 HydrophobicContact CB-CB 4.13Å; R333-E350 HydrophobicContact CB-CG 4.44Å; R333-E350 IonicContact CZ-OE2 2.91Å; R333-E350 IonicContact NE-OE2 2.71Å; R333-E350 PolarHBondContact NE-OE2 3.41Å; R333-E350 IonicContact NH2-OE2 3.37Å; R333-E350 PolarHBondContact NH2-OE2 2.89Å; R333-E350 WeakPolarHBondContact O-CA 3.41Å; L348-E350 PolarHBondContact O-N 3.13Å; E350-W392 PolarHBondContact O-NE1 3.01Å
351	L	98.3	Very high	92.9	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-55.3	143.1	170.1	-76	165	0	0	0	111.2	I324 R333 V335 M353 R355 F358 W392	I324-L351 HydrophobicContact CG2-CD1 3.9Å; I324-L351 HydrophobicContact CG2-CD2 3.99Å; I324-L351 HydrophobicContact CG2-CG 3.95Å; R333-L351 HydrophobicContact CB-CB 4.41Å; R333-L351 HydrophobicContact CG-CB 4.44Å; R333-L351 PolarHBondContact NE-O 3.39Å; R333-L351 PolarHBondContact O-N 2.98Å; V335-L351 HydrophobicContact CG2-CG 4.34Å; L351-M353 VanDerWaalsContact CB-O 3.31Å; L351-M353 WeakPolarHBondContact CB-O 3.28Å; L351-M353 PolarHBondContact O-N 3Å; L351-M353 VanDerWaalsContact O-N 3.13Å; L351-R355 HydrophobicContact CD1-CB 3.73Å; L351-F358 HydrophobicContact CD1-CZ 4.38Å; L351-W392 HydrophobicContact CD2-CD2 4.23Å; L351-W392 HydrophobicContact CD2-CE3 4.19Å; L351-W392 HydrophobicContact CD2-CH2 3.48Å; L351-W392 VanDerWaalsContact CD2-CH2 3.48Å; L351-W392 HydrophobicContact CD2-CZ2 3.53Å; L351-W392 HydrophobicContact CD2-CZ3 3.82Å; L351-W392 HydrophobicContact CG-CH2 4.44Å; L351-W392 HydrophobicContact CG-CZ2 4.07Å
352	P	96.6	Very high	93.6	Very high	68 Å²	68	49.9 Å²	49.9	44%	0.442	27%	0.265	S	S	.	.	S	Bend	trans	-54.9	-35.4	177.3	-27.1	34.5	0	0	0	113.5	R333 E383 W392	R333-P352 PolarHBondContact NH1-O 3.48Å; P352-E383 HydrophobicContact CG-CG 4.32Å; P352-W392 HydrophobicContact CG-CB 3.93Å; P352-W392 HydrophobicContact CG-CG 4.32Å
353	M	96.2	Very high	94.2	Very high	66 Å²	66	46.5 Å²	46.5	33%	0.325	24%	0.244	S	C	.	.	S	Bend	trans	-134.9	157.5	174.9	60.2	174.3	52.2	0	0	111.3	R333 L351 R355 N374	R333-M353 VanDerWaalsContact CG-C 3.46Å; L351-M353 VanDerWaalsContact CB-O 3.31Å; L351-M353 WeakPolarHBondContact CB-O 3.28Å; L351-M353 PolarHBondContact O-N 3Å; L351-M353 VanDerWaalsContact O-N 3.13Å; M353-R355 PolarHBondContact O-N 3.29Å; M353-N374 HydrophobicContact SD-CB 3.94Å
354	R	98.2	Very high	94.1	Very high	133 Å²	133	46.6 Å²	46.6	50%	0.502	24%	0.24	S	C	.	.			trans	-51.9	138.3	171.5	-67.6	171	-178	-112.8	3.5	109	A331 I332 R333 N374	A331-R354 HydrophobicContact CB-CB 3.9Å; A331-R354 VanDerWaalsContact O-CD 3.27Å; A331-R354 WeakPolarHBondContact O-CD 3.37Å; A331-R354 WeakPolarHBondContact O-CG 3.42Å; A331-R354 PolarHBondContact O-NH1 2.95Å; A331-R354 VanDerWaalsContact O-NH1 3.16Å; I332-R354 WeakPolarHBondContact O-CA 3.34Å; R333-R354 HydrophobicContact CG-CB 4.39Å; R333-R354 HydrophobicContact CG-CG 3.97Å; R333-R354 VanDerWaalsContact CG-N 3.34Å; R354-N374 WeakPolarHBondContact O-CA 3.38Å; R354-N374 VanDerWaalsContact O-CB 3.22Å; R354-N374 WeakPolarHBondContact O-CB 3.47Å
355	R	98.4	Very high	93.9	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.233	C	C	.	.			trans	-151.5	129.1	-179.4	-157.1	-179.4	-79.4	-115.1	3.6	111.1	G326 I332 L351 M353 F358 G371 F373 T381 E383	G326-R355 PolarHBondContact N-O 3.33Å; I332-R355 PolarHBondContact O-N 3.27Å; L351-R355 HydrophobicContact CD1-CB 3.73Å; M353-R355 PolarHBondContact O-N 3.29Å; R355-F358 HydrophobicContact CB-CD1 4.03Å; R355-F358 HydrophobicContact CB-CE1 4.06Å; R355-F358 HydrophobicContact CG-CB 3.99Å; R355-F358 HydrophobicContact CG-CD1 3.5Å; R355-F358 HydrophobicContact CG-CE1 4.01Å; R355-F358 HydrophobicContact CG-CG 3.79Å; R355-F358 WeakPolarHBondContact O-CE1 3.11Å; R355-G371 WeakPolarHBondContact CD-O 3.18Å; R355-G371 PolarHBondContact NH1-O 3.09Å; R355-F373 WeakPolarHBondContact CA-O 3.44Å; R355-T381 PolarHBondContact NH1-O 3.46Å; R355-T381 PolarHBondContact NH2-OG1 2.93Å; R355-E383 IonicContact NH2-OE1 3.87Å; R355-E383 PolarHBondContact NH2-OE1 3.46Å
356	C	98.1	Very high	93.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-136.9	168.7	166.1	70	0	0	0	0	109.9	G326 Q327 A331 F358 G372 F373	G326-C356 WeakPolarHBondContact O-CB 3.49Å; Q327-C356 HydrophobicContact CB-CB 4.16Å; A331-C356 HydrophobicContact CB-CB 4.22Å; C356-F358 PolarHBondContact O-N 3.04Å; C356-F358 VanDerWaalsContact O-N 3.14Å; C356-G372 CarbonylContact O-C 3.55Å; C356-G372 WeakPolarHBondContact O-CA 3.26Å; C356-F373 PolarHBondContact N-O 3.01Å; C356-F373 PolarHBondContact O-N 3.14Å
357	R	98.2	Very high	93.9	Very high	75 Å²	75	41.1 Å²	41.1	28%	0.283	21%	0.212	S	C	.	.	S	Bend	trans	59.4	28.4	175.9	-52.4	170	-171.5	-174.7	3.8	112.8	G372 S403 T404 Y595	R357-G372 WeakPolarHBondContact O-CA 2.9Å; R357-S403 CarbonylContact O-C 3.41Å; R357-T404 HydrophobicContact CB-CG2 3.83Å; R357-T404 HydrophobicContact CG-CG2 3.94Å; R357-T404 PolarHBondContact O-N 2.85Å; R357-Y595 HydrophobicContact CB-CD1 4.17Å; R357-Y595 HydrophobicContact CB-CG 4.43Å; R357-Y595 HydrophobicContact CG-CD1 3.61Å; R357-Y595 HydrophobicContact CG-CD2 3.79Å; R357-Y595 HydrophobicContact CG-CE1 3.89Å; R357-Y595 HydrophobicContact CG-CE2 4.04Å; R357-Y595 HydrophobicContact CG-CG 3.55Å; R357-Y595 PolarHBondContact N-O 2.71Å
358	F	98.5	Very high	94.1	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.057	18%	0.183	C	C	.	.			trans	-101.2	165	175.6	65.2	-79	0	0	0	109.1	I324 L351 R355 C356 V360 V370 G371	I324-F358 HydrophobicContact CB-CE2 4.31Å; I324-F358 HydrophobicContact CB-CZ 3.97Å; I324-F358 HydrophobicContact CG2-CE2 4.13Å; I324-F358 HydrophobicContact CG2-CZ 3.84Å; I324-F358 WeakPolarHBondContact O-CZ 3.47Å; L351-F358 HydrophobicContact CD1-CZ 4.38Å; R355-F358 HydrophobicContact CB-CD1 4.03Å; R355-F358 HydrophobicContact CB-CE1 4.06Å; R355-F358 HydrophobicContact CG-CB 3.99Å; R355-F358 HydrophobicContact CG-CD1 3.5Å; R355-F358 HydrophobicContact CG-CE1 4.01Å; R355-F358 HydrophobicContact CG-CG 3.79Å; R355-F358 WeakPolarHBondContact O-CE1 3.11Å; C356-F358 PolarHBondContact O-N 3.04Å; C356-F358 VanDerWaalsContact O-N 3.14Å; F358-V360 HydrophobicContact CD2-CG2 3.93Å; F358-V360 HydrophobicContact CE2-CG2 3.49Å; F358-V360 VanDerWaalsContact CE2-CG2 3.49Å; F358-V360 HydrophobicContact CZ-CG2 4.48Å; F358-V370 WeakPolarHBondContact CB-O 3.19Å; F358-G371 WeakPolarHBondContact CB-O 3.27Å
359	G	98.1	Very high	94.4	Very high	7 Å²	7	35.7 Å²	35.7	7%	0.072	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	157.4	171.1	0	0	0	0	0	111.2	V370	G359-V370 PolarHBondContact N-O 2.87Å; G359-V370 VanDerWaalsContact N-O 3.11Å; G359-V370 PolarHBondContact O-N 3.34Å
360	V	98.2	Very high	94.7	Very high	20 Å²	20	29.7 Å²	29.7	12%	0.121	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.2	174.9	173.6	0	0	0	0	109.5	I324 F358 I367 Y368 G597 T599	I324-V360 HydrophobicContact CD1-CG1 4.29Å; I324-V360 HydrophobicContact CD1-CG2 4.12Å; F358-V360 HydrophobicContact CD2-CG2 3.93Å; F358-V360 HydrophobicContact CE2-CG2 3.49Å; F358-V360 VanDerWaalsContact CE2-CG2 3.49Å; F358-V360 HydrophobicContact CZ-CG2 4.48Å; V360-I367 HydrophobicContact CG1-CG2 3.78Å; V360-Y368 VanDerWaalsContact CA-O 3.27Å; V360-Y368 WeakPolarHBondContact CA-O 3.09Å; V360-G597 VanDerWaalsContact CG2-CA 3.46Å; V360-T599 HydrophobicContact CG1-CG2 3.91Å
361	A	96	Very high	94.7	Very high	3 Å²	3	26 Å²	26	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140	168.2	0	0	0	0	0	109.4	I367 Y368 V407 E409 I414	A361-I367 CarbonylContact O-C 3.34Å; A361-I367 WeakPolarHBondContact O-CA 3.36Å; A361-Y368 PolarHBondContact N-O 2.85Å; A361-Y368 PolarHBondContact O-N 3.21Å; A361-V407 HydrophobicContact CB-CG1 3.84Å; A361-E409 HydrophobicContact CB-CB 4.34Å; A361-I414 HydrophobicContact CB-CB 4.32Å; A361-I414 HydrophobicContact CB-CD1 4.08Å; A361-I414 HydrophobicContact CB-CG1 3.91Å; A361-I414 HydrophobicContact CB-CG2 3.61Å
362	N	92.5	Very high	94.7	Very high	30 Å²	30	25.9 Å²	25.9	16%	0.16	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.5	169.6	179.4	-8.6	0	0	0	107.2	G365 T599 L600	N362-G365 WeakPolarHBondContact OD1-CA 3.2Å; N362-G365 PolarHBondContact OD1-N 2.92Å; N362-T599 WeakPolarHBondContact CB-OG1 3.35Å; N362-L600 PolarHBondContact ND2-O 2.83Å
363	V	88.1	Confident	94.8	Very high	10 Å²	10	24.4 Å²	24.4	6%	0.061	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105.4	177.5	-170.6	0	0	0	0	107.5	G365 D366 Y368 E409 I414 P434	V363-G365 PolarHBondContact O-N 3.03Å; V363-G365 VanDerWaalsContact O-N 3.16Å; V363-D366 PolarHBondContact N-O 3.26Å; V363-D366 VanDerWaalsContact O-CB 3.29Å; V363-D366 WeakPolarHBondContact O-CB 2.98Å; V363-D366 PolarHBondContact O-N 3.23Å; V363-Y368 HydrophobicContact CB-CD2 4.49Å; V363-Y368 HydrophobicContact CB-CE2 4.09Å; V363-Y368 HydrophobicContact CG2-CD2 4.02Å; V363-Y368 HydrophobicContact CG2-CE2 3.97Å; V363-E409 HydrophobicContact CB-CG 4.38Å; V363-E409 HydrophobicContact CG1-CG 4.47Å; V363-E409 HydrophobicContact CG2-CG 3.82Å; V363-I414 HydrophobicContact CG2-CD1 3.74Å; V363-I414 HydrophobicContact CG2-CG1 3.47Å; V363-I414 VanDerWaalsContact CG2-CG1 3.47Å; V363-P434 HydrophobicContact CG1-CG 4.35Å
364	D	79.4	Confident	94.8	Very high	64 Å²	64	23.3 Å²	23.3	34%	0.342	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	45.2	179	-58.1	-31.8	0	0	0	113.4	D366 R605	D364-D366 VanDerWaalsContact C-N 3.27Å; D364-D366 PolarHBondContact O-N 3.41Å; D364-R605 HydrophobicContact CB-CB 4.3Å; D364-R605 VanDerWaalsContact O-CG 3.24Å; D364-R605 WeakPolarHBondContact O-CG 3.3Å
365	G	81	Confident	94.6	Very high	18 Å²	18	19.2 Å²	19.2	19%	0.186	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-7.3	179.8	0	0	0	0	0	115.2	N362 V363 I367	N362-G365 WeakPolarHBondContact OD1-CA 3.2Å; N362-G365 PolarHBondContact OD1-N 2.92Å; V363-G365 PolarHBondContact O-N 3.03Å; V363-G365 VanDerWaalsContact O-N 3.16Å; G365-I367 WeakPolarHBondContact O-CD1 3.49Å
366	D	85.9	Confident	94.4	Very high	22 Å²	22	21.5 Å²	21.5	12%	0.118	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.2	172.3	-73.2	-13.9	0	0	0	109.6	V363 D364 Y368 L384 K386 R605	V363-D366 PolarHBondContact N-O 3.26Å; V363-D366 VanDerWaalsContact O-CB 3.29Å; V363-D366 WeakPolarHBondContact O-CB 2.98Å; V363-D366 PolarHBondContact O-N 3.23Å; D364-D366 VanDerWaalsContact C-N 3.27Å; D364-D366 PolarHBondContact O-N 3.41Å; D366-Y368 HydrophobicContact CB-CE2 3.73Å; D366-Y368 VanDerWaalsContact O-CD2 3.31Å; D366-Y368 WeakPolarHBondContact O-CD2 3.5Å; D366-L384 HydrophobicContact CB-CD1 3.62Å; D366-K386 VanDerWaalsContact OD1-CD 3.22Å; D366-K386 WeakPolarHBondContact OD1-CD 3.38Å; D366-K386 IonicContact OD1-NZ 2.76Å; D366-K386 PolarHBondContact OD1-NZ 3.44Å; D366-K386 IonicContact OD2-NZ 3.38Å; D366-K386 PolarHBondContact OD2-NZ 2.92Å; D366-R605 IonicContact OD1-NH2 2.63Å; D366-R605 PolarHBondContact OD1-NH2 3.32Å; D366-R605 IonicContact OD2-NH2 3.1Å
367	I	95	Very high	94.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.8	-172.8	-58.1	111.8	0	0	0	110.4	M322 I324 V360 A361 G365 L384 F385 F387 T599 I601	M322-I367 HydrophobicContact SD-CD1 4.26Å; M322-I367 HydrophobicContact SD-CG2 4.43Å; I324-I367 HydrophobicContact CD1-CG2 3.75Å; V360-I367 HydrophobicContact CG1-CG2 3.78Å; A361-I367 CarbonylContact O-C 3.34Å; A361-I367 WeakPolarHBondContact O-CA 3.36Å; G365-I367 WeakPolarHBondContact O-CD1 3.49Å; I367-L384 CarbonylContact O-C 3.57Å; I367-L384 WeakPolarHBondContact O-CA 3.01Å; I367-F385 HydrophobicContact CB-CB 4.23Å; I367-F385 HydrophobicContact CD1-CD1 3.98Å; I367-F385 PolarHBondContact N-O 3.42Å; I367-F385 VanDerWaalsContact N-O 3.12Å; I367-F385 PolarHBondContact O-N 2.59Å; I367-F387 HydrophobicContact CD1-CB 4.06Å; I367-T599 HydrophobicContact CG1-CG2 4.22Å; I367-T599 HydrophobicContact CG2-CG2 3.94Å; I367-I601 HydrophobicContact CD1-CD1 3.5Å; I367-I601 HydrophobicContact CG1-CD1 4Å
368	Y	97.5	Very high	94.2	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.047	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.4	-179	-66.6	-99.3	0	0	0	110.7	V360 A361 V363 D366 V382 E383 L384 A395 I414 Y432	V360-Y368 VanDerWaalsContact CA-O 3.27Å; V360-Y368 WeakPolarHBondContact CA-O 3.09Å; A361-Y368 PolarHBondContact N-O 2.85Å; A361-Y368 PolarHBondContact O-N 3.21Å; V363-Y368 HydrophobicContact CB-CD2 4.49Å; V363-Y368 HydrophobicContact CB-CE2 4.09Å; V363-Y368 HydrophobicContact CG2-CD2 4.02Å; V363-Y368 HydrophobicContact CG2-CE2 3.97Å; D366-Y368 HydrophobicContact CB-CE2 3.73Å; D366-Y368 VanDerWaalsContact O-CD2 3.31Å; D366-Y368 WeakPolarHBondContact O-CD2 3.5Å; Y368-V382 HydrophobicContact CD1-CG1 4Å; Y368-E383 CarbonylContact C-O 3.59Å; Y368-E383 WeakPolarHBondContact CA-O 3.43Å; Y368-L384 HydrophobicContact CD1-CB 4.21Å; Y368-L384 HydrophobicContact CD1-CD1 4.45Å; Y368-L384 HydrophobicContact CD2-CD1 4.31Å; Y368-L384 HydrophobicContact CE1-CB 4.05Å; Y368-L384 HydrophobicContact CE1-CD1 4.08Å; Y368-L384 HydrophobicContact CE1-CD2 4.28Å; Y368-L384 HydrophobicContact CE1-CG 4.37Å; Y368-L384 HydrophobicContact CE2-CD1 3.92Å; Y368-A395 HydrophobicContact CD1-CB 4.21Å; Y368-A395 HydrophobicContact CE1-CB 4.05Å; Y368-I414 HydrophobicContact CD1-CD1 3.86Å; Y368-I414 HydrophobicContact CD2-CD1 3.49Å; Y368-I414 VanDerWaalsContact CD2-CD1 3.49Å; Y368-I414 HydrophobicContact CE1-CD1 4.34Å; Y368-I414 HydrophobicContact CE2-CD1 4.03Å; Y368-I414 HydrophobicContact CG-CD1 3.39Å; Y368-Y432 AromaticContact CE1-CE1 3.93Å; Y368-Y432 HydrophobicContact CE1-CE1 3.93Å
369	S	98.3	Very high	94.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.3	167	68.6	0	0	0	0	109.5	V382 E383	S369-V382 CarbonylContact O-C 3.57Å; S369-V382 VanDerWaalsContact O-CA 3.23Å; S369-V382 WeakPolarHBondContact O-CA 3.47Å; S369-V382 WeakPolarHBondContact O-CG1 3.23Å; S369-E383 PolarHBondContact N-O 3.21Å; S369-E383 PolarHBondContact O-N 2.99Å; S369-E383 WeakPolarHBondContact OG-CB 3.27Å; S369-E383 PolarHBondContact OG-O 3.28Å
370	V	98.7	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.7	-164.4	179.8	0	0	0	0	110.7	F358 G359 V382 L398 L405 V407 I414 A416 W439	F358-V370 WeakPolarHBondContact CB-O 3.19Å; G359-V370 PolarHBondContact N-O 2.87Å; G359-V370 VanDerWaalsContact N-O 3.11Å; G359-V370 PolarHBondContact O-N 3.34Å; V370-V382 HydrophobicContact CG1-CG2 4.25Å; V370-V382 HydrophobicContact CG2-CG1 4.01Å; V370-L398 HydrophobicContact CG1-CD1 3.89Å; V370-L398 HydrophobicContact CG1-CD2 3.9Å; V370-L398 HydrophobicContact CG1-CG 4.08Å; V370-L405 HydrophobicContact CG1-CD1 4.21Å; V370-V407 HydrophobicContact CB-CG2 4.01Å; V370-V407 HydrophobicContact CG1-CG2 4.08Å; V370-V407 HydrophobicContact CG2-CG1 4.32Å; V370-I414 HydrophobicContact CG2-CG2 4.29Å; V370-A416 HydrophobicContact CG1-CB 4.23Å; V370-W439 HydrophobicContact CG1-CH2 3.79Å; V370-W439 HydrophobicContact CG1-CZ2 4.03Å; V370-W439 HydrophobicContact CG2-CH2 4.39Å; V370-W439 HydrophobicContact CG2-CZ2 4.45Å
371	G	98.4	Very high	94.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64	-149.4	177	0	0	0	0	0	113.8	R355 F358 T381	R355-G371 WeakPolarHBondContact CD-O 3.18Å; R355-G371 PolarHBondContact NH1-O 3.09Å; F358-G371 WeakPolarHBondContact CB-O 3.27Å; G371-T381 PolarHBondContact N-O 3.41Å; G371-T381 VanDerWaalsContact N-O 3.11Å
372	G	98.4	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.2	-156.2	177	0	0	0	0	0	114.5	C356 R357 R378 V379 R402	C356-G372 CarbonylContact O-C 3.55Å; C356-G372 WeakPolarHBondContact O-CA 3.26Å; R357-G372 WeakPolarHBondContact O-CA 2.9Å; G372-R378 CarbonylContact O-C 3.59Å; G372-R378 WeakPolarHBondContact O-CA 3.43Å; G372-V379 PolarHBondContact O-N 2.81Å; G372-R402 PolarHBondContact N-O 3.29Å
373	F	98.4	Very high	94.6	Very high	36 Å²	36	33.8 Å²	33.8	16%	0.158	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.4	-177.5	179.8	-111.6	0	0	0	110.1	R355 C356 G375 G376 L377 R378	R355-F373 WeakPolarHBondContact CA-O 3.44Å; C356-F373 PolarHBondContact N-O 3.01Å; C356-F373 PolarHBondContact O-N 3.14Å; F373-G375 WeakPolarHBondContact CZ-O 3.47Å; F373-G376 VanDerWaalsContact CE2-C 3.42Å; F373-G376 WeakPolarHBondContact CE2-O 3.47Å; F373-L377 WeakPolarHBondContact CA-O 3.31Å; F373-L377 VanDerWaalsContact CD2-C 3.45Å; F373-L377 WeakPolarHBondContact CD2-O 3.16Å; F373-R378 HydrophobicContact CD2-CG 4.39Å
374	N	96.1	Very high	94.9	Very high	44 Å²	44	34.1 Å²	34.1	24%	0.235	19%	0.192	C	C	.	.			trans	-97	12	-174.1	72.7	0.1	0	0	0	115	M353 R354 G376 L377 V379	M353-N374 HydrophobicContact SD-CB 3.94Å; R354-N374 WeakPolarHBondContact O-CA 3.38Å; R354-N374 VanDerWaalsContact O-CB 3.22Å; R354-N374 WeakPolarHBondContact O-CB 3.47Å; N374-G376 PolarHBondContact OD1-N 3.12Å; N374-L377 PolarHBondContact N-O 3.19Å; N374-L377 VanDerWaalsContact N-O 3.09Å; N374-L377 PolarHBondContact OD1-N 3.23Å; N374-L377 PolarHBondContact OD1-O 3.28Å; N374-V379 HydrophobicContact CB-CG1 4.14Å
375	G	93	Very high	95.6	Very high	46 Å²	46	31 Å²	31	47%	0.474	18%	0.176	S	C	.	.	S	Bend	trans	95.4	-20.4	-172.7	0	0	0	0	0	113.9	F373	F373-G375 WeakPolarHBondContact CZ-O 3.47Å
376	G	93.8	Very high	95.7	Very high	50 Å²	50	31.5 Å²	31.5	52%	0.515	17%	0.173	S	C	.	.	S	Bend	trans	-121.1	-49.7	174.5	0	0	0	0	0	113.3	F373 N374	F373-G376 VanDerWaalsContact CE2-C 3.42Å; F373-G376 WeakPolarHBondContact CE2-O 3.47Å; N374-G376 PolarHBondContact OD1-N 3.12Å
377	L	96	Very high	95.6	Very high	119 Å²	119	32 Å²	32	62%	0.623	17%	0.174	S	C	*	.	S	Bend	trans	-126.2	153.4	-173.4	-63.6	174.6	0	0	0	112	F373 N374	F373-L377 WeakPolarHBondContact CA-O 3.31Å; F373-L377 VanDerWaalsContact CD2-C 3.45Å; F373-L377 WeakPolarHBondContact CD2-O 3.16Å; N374-L377 PolarHBondContact N-O 3.19Å; N374-L377 VanDerWaalsContact N-O 3.09Å; N374-L377 PolarHBondContact OD1-N 3.23Å; N374-L377 PolarHBondContact OD1-O 3.28Å
378	R	97.6	Very high	94.7	Very high	83 Å²	83	37.5 Å²	37.5	31%	0.313	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.2	165.7	-65.8	70.1	164.4	162	-6.2	106.5	G372 F373 R401 S403	G372-R378 CarbonylContact O-C 3.59Å; G372-R378 WeakPolarHBondContact O-CA 3.43Å; F373-R378 HydrophobicContact CD2-CG 4.39Å; R378-R401 HydrophobicContact CB-CB 4.44Å; R378-R401 WeakPolarHBondContact O-CD 3.33Å; R378-S403 VanDerWaalsContact CG-OG 3.3Å; R378-S403 WeakPolarHBondContact CG-OG 3.21Å
379	V	98	Very high	93.7	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.085	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	155.1	-170.9	-61.4	0	0	0	0	111.3	G372 N374 R402	G372-V379 PolarHBondContact O-N 2.81Å; N374-V379 HydrophobicContact CB-CG1 4.14Å; V379-R402 PolarHBondContact O-N 2.77Å
380	R	97.8	Very high	93	Very high	132 Å²	132	42.2 Å²	42.2	50%	0.498	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-2.2	168.9	66	173.1	-179.5	179.9	2.9	112.6	P397 L398 R401	R380-P397 HydrophobicContact CG-CB 4.11Å; R380-P397 CarbonylContact O-C 3.6Å; R380-P397 VanDerWaalsContact O-CA 3.31Å; R380-P397 WeakPolarHBondContact O-CA 3.4Å; R380-P397 WeakPolarHBondContact O-CB 3.43Å; R380-L398 HydrophobicContact CB-CB 4.06Å; R380-L398 WeakPolarHBondContact CD-O 3.4Å; R380-L398 PolarHBondContact O-N 3.49Å; R380-R401 HydrophobicContact CB-CG 4.38Å
381	T	98.2	Very high	92.4	Very high	47 Å²	47	44.4 Å²	44.4	29%	0.288	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.6	-176.1	50.3	0	0	0	0	110.7	R355 G371	R355-T381 PolarHBondContact NH1-O 3.46Å; R355-T381 PolarHBondContact NH2-OG1 2.93Å; G371-T381 PolarHBondContact N-O 3.41Å; G371-T381 VanDerWaalsContact N-O 3.11Å
382	V	98.5	Very high	92.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.9	176.1	-177.5	0	0	0	0	107.4	Y368 S369 V370 A395 A396 L398 W439	Y368-V382 HydrophobicContact CD1-CG1 4Å; S369-V382 CarbonylContact O-C 3.57Å; S369-V382 VanDerWaalsContact O-CA 3.23Å; S369-V382 WeakPolarHBondContact O-CA 3.47Å; S369-V382 WeakPolarHBondContact O-CG1 3.23Å; V370-V382 HydrophobicContact CG1-CG2 4.25Å; V370-V382 HydrophobicContact CG2-CG1 4.01Å; V382-A395 HydrophobicContact CB-CB 4.2Å; V382-A395 HydrophobicContact CG1-CB 3.98Å; V382-A395 PolarHBondContact O-N 2.9Å; V382-A396 WeakPolarHBondContact CG2-O 3.33Å; V382-L398 HydrophobicContact CG2-CG 4.26Å; V382-W439 HydrophobicContact CG2-CZ2 3.92Å
383	E	98	Very high	91.9	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.9	174	-39.9	-59	158.2	0	0	109.6	P352 R355 Y368 S369 W392 M393 S394	P352-E383 HydrophobicContact CG-CG 4.32Å; R355-E383 IonicContact NH2-OE1 3.87Å; R355-E383 PolarHBondContact NH2-OE1 3.46Å; Y368-E383 CarbonylContact C-O 3.59Å; Y368-E383 WeakPolarHBondContact CA-O 3.43Å; S369-E383 PolarHBondContact N-O 3.21Å; S369-E383 PolarHBondContact O-N 2.99Å; S369-E383 WeakPolarHBondContact OG-CB 3.27Å; S369-E383 PolarHBondContact OG-O 3.28Å; E383-W392 HydrophobicContact CB-CD2 4.47Å; E383-W392 HydrophobicContact CB-CE3 3.47Å; E383-W392 VanDerWaalsContact CB-CE3 3.47Å; E383-W392 HydrophobicContact CB-CZ3 3.84Å; E383-M393 CarbonylContact C-O 3.57Å; E383-M393 WeakPolarHBondContact CA-O 3.32Å; E383-S394 PolarHBondContact OE2-OG 3.43Å
384	L	95.4	Very high	91.7	Very high	17 Å²	17	51.6 Å²	51.6	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.9	174.6	164.2	57.1	0	0	0	109.3	D366 I367 Y368 K386 W392 M393 A395	D366-L384 HydrophobicContact CB-CD1 3.62Å; I367-L384 CarbonylContact O-C 3.57Å; I367-L384 WeakPolarHBondContact O-CA 3.01Å; Y368-L384 HydrophobicContact CD1-CB 4.21Å; Y368-L384 HydrophobicContact CD1-CD1 4.45Å; Y368-L384 HydrophobicContact CD2-CD1 4.31Å; Y368-L384 HydrophobicContact CE1-CB 4.05Å; Y368-L384 HydrophobicContact CE1-CD1 4.08Å; Y368-L384 HydrophobicContact CE1-CD2 4.28Å; Y368-L384 HydrophobicContact CE1-CG 4.37Å; Y368-L384 HydrophobicContact CE2-CD1 3.92Å; L384-K386 HydrophobicContact CD1-CD 4.3Å; L384-K386 HydrophobicContact CG-CD 4.44Å; L384-W392 CarbonylContact O-C 3.51Å; L384-W392 WeakPolarHBondContact O-CA 3.48Å; L384-M393 HydrophobicContact CD2-CE 3.64Å; L384-M393 HydrophobicContact CG-CE 3.97Å; L384-M393 PolarHBondContact N-O 2.89Å; L384-M393 PolarHBondContact O-N 3.17Å; L384-A395 HydrophobicContact CB-CB 4.3Å
385	F	94.2	Very high	91.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.9	172.1	-173.5	-107.4	0	0	0	111	M322 L348 K349 I367 F387 N390 T391 W392	M322-F385 HydrophobicContact CE-CD1 3.4Å; M322-F385 VanDerWaalsContact CE-CD1 3.4Å; M322-F385 HydrophobicContact CE-CD2 4.49Å; M322-F385 HydrophobicContact CE-CE1 3.47Å; M322-F385 VanDerWaalsContact CE-CE1 3.47Å; M322-F385 HydrophobicContact CE-CG 3.93Å; M322-F385 HydrophobicContact CE-CZ 4.07Å; M322-F385 HydrophobicContact SD-CD1 4.09Å; M322-F385 HydrophobicContact SD-CE1 4.16Å; L348-F385 HydrophobicContact CB-CZ 4.3Å; L348-F385 HydrophobicContact CD1-CE1 4.07Å; L348-F385 HydrophobicContact CD1-CZ 4.04Å; K349-F385 HydrophobicContact CB-CE2 4.2Å; I367-F385 HydrophobicContact CB-CB 4.23Å; I367-F385 HydrophobicContact CD1-CD1 3.98Å; I367-F385 PolarHBondContact N-O 3.42Å; I367-F385 VanDerWaalsContact N-O 3.12Å; I367-F385 PolarHBondContact O-N 2.59Å; F385-F387 HydrophobicContact CD1-CB 4.45Å; F385-F387 HydrophobicContact CE1-CB 4.2Å; F385-F387 AromaticContact CE1-CD2 3.91Å; F385-F387 HydrophobicContact CE1-CD2 3.91Å; F385-F387 HydrophobicContact CE1-CG 4.41Å; F385-N390 VanDerWaalsContact CZ-OD1 3.28Å; F385-N390 WeakPolarHBondContact CZ-OD1 3.33Å; F385-T391 WeakPolarHBondContact CA-O 3.23Å; F385-T391 WeakPolarHBondContact CD2-O 3.24Å; F385-W392 HydrophobicContact CB-CD2 3.9Å; F385-W392 HydrophobicContact CB-CE3 3.61Å; F385-W392 HydrophobicContact CB-CH2 3.67Å; F385-W392 HydrophobicContact CB-CZ2 3.93Å; F385-W392 HydrophobicContact CB-CZ3 3.52Å; F385-W392 AromaticContact CD2-CD1 3.78Å; F385-W392 AromaticContact CD2-CD2 3.64Å; F385-W392 HydrophobicContact CD2-CD2 3.64Å; F385-W392 AromaticContact CD2-CE2 3.41Å; F385-W392 VanDerWaalsContact CD2-CE2 3.41Å; F385-W392 HydrophobicContact CD2-CE3 4.26Å; F385-W392 AromaticContact CD2-CG 3.86Å; F385-W392 HydrophobicContact CD2-CG 3.86Å; F385-W392 HydrophobicContact CD2-CH2 4.46Å; F385-W392 AromaticContact CD2-CZ2 3.86Å; F385-W392 HydrophobicContact CD2-CZ2 3.86Å; F385-W392 AromaticContact CD2-NE1 3.49Å; F385-W392 AromaticContact CE2-NE1 3.79Å; F385-W392 HydrophobicContact CG-CD2 4.21Å; F385-W392 HydrophobicContact CG-CE3 4.41Å; F385-W392 HydrophobicContact CG-CH2 4.27Å; F385-W392 HydrophobicContact CG-CZ2 4.04Å; F385-W392 HydrophobicContact CG-CZ3 4.46Å
386	K	82.9	Confident	91.7	Very high	28 Å²	28	49.4 Å²	49.4	12%	0.122	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	105.5	172.1	-62.8	-63.2	-162.9	-179.3	0	108.7	D366 L384 H388 I389 N390 T391 M393	D366-K386 VanDerWaalsContact OD1-CD 3.22Å; D366-K386 WeakPolarHBondContact OD1-CD 3.38Å; D366-K386 IonicContact OD1-NZ 2.76Å; D366-K386 PolarHBondContact OD1-NZ 3.44Å; D366-K386 IonicContact OD2-NZ 3.38Å; D366-K386 PolarHBondContact OD2-NZ 2.92Å; L384-K386 HydrophobicContact CD1-CD 4.3Å; L384-K386 HydrophobicContact CG-CD 4.44Å; K386-H388 PolarHBondContact O-N 3.37Å; K386-I389 HydrophobicContact CB-CD1 3.79Å; K386-I389 HydrophobicContact CB-CG1 3.44Å; K386-I389 VanDerWaalsContact CB-CG1 3.44Å; K386-I389 HydrophobicContact CG-CD1 4.21Å; K386-I389 HydrophobicContact CG-CG1 4.39Å; K386-I389 PolarHBondContact O-N 2.55Å; K386-N390 PolarHBondContact O-N 2.87Å; K386-T391 PolarHBondContact N-O 3.34Å; K386-T391 PolarHBondContact O-N 2.77Å; K386-M393 HydrophobicContact CD-CE 4.06Å; K386-M393 HydrophobicContact CG-CE 3.55Å
387	F	83.5	Confident	91.9	Very high	32 Å²	32	50 Å²	50	14%	0.14	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.7	-45.2	-173	-169.3	-87.1	0	0	0	113.3	F337 L348 I367 F385 I389 N390 I601	F337-F387 HydrophobicContact CD1-CZ 4.13Å; F337-F387 AromaticContact CD2-CE2 3.8Å; F337-F387 HydrophobicContact CD2-CE2 3.8Å; F337-F387 AromaticContact CD2-CZ 3.93Å; F337-F387 HydrophobicContact CD2-CZ 3.93Å; F337-F387 AromaticContact CE1-CZ 3.98Å; F337-F387 HydrophobicContact CE1-CZ 3.98Å; F337-F387 AromaticContact CE2-CE2 3.94Å; F337-F387 HydrophobicContact CE2-CE2 3.94Å; F337-F387 AromaticContact CE2-CZ 3.76Å; F337-F387 HydrophobicContact CE2-CZ 3.76Å; F337-F387 HydrophobicContact CG-CE2 4.17Å; F337-F387 HydrophobicContact CG-CZ 4.12Å; F337-F387 HydrophobicContact CZ-CE2 4.44Å; F337-F387 AromaticContact CZ-CZ 3.8Å; F337-F387 HydrophobicContact CZ-CZ 3.8Å; L348-F387 HydrophobicContact CD1-CD2 4.24Å; L348-F387 HydrophobicContact CD1-CE2 3.72Å; I367-F387 HydrophobicContact CD1-CB 4.06Å; F385-F387 HydrophobicContact CD1-CB 4.45Å; F385-F387 HydrophobicContact CE1-CB 4.2Å; F385-F387 AromaticContact CE1-CD2 3.91Å; F385-F387 HydrophobicContact CE1-CD2 3.91Å; F385-F387 HydrophobicContact CE1-CG 4.41Å; F387-I389 VanDerWaalsContact C-N 3.27Å; F387-I389 PolarHBondContact O-N 3.43Å; F387-N390 PolarHBondContact O-N 2.91Å; F387-N390 VanDerWaalsContact O-N 3.1Å; F387-I601 HydrophobicContact CD1-CG2 4Å; F387-I601 HydrophobicContact CD2-CB 4.44Å; F387-I601 HydrophobicContact CD2-CD1 3.6Å; F387-I601 HydrophobicContact CD2-CG1 3.75Å; F387-I601 HydrophobicContact CD2-CG2 3.87Å; F387-I601 HydrophobicContact CE1-CG2 4.03Å; F387-I601 HydrophobicContact CE2-CB 4.26Å; F387-I601 HydrophobicContact CE2-CD1 3.99Å; F387-I601 HydrophobicContact CE2-CG1 3.6Å; F387-I601 HydrophobicContact CE2-CG2 3.9Å; F387-I601 HydrophobicContact CG-CD1 4.38Å; F387-I601 HydrophobicContact CG-CG2 3.93Å; F387-I601 HydrophobicContact CZ-CG1 4.35Å; F387-I601 HydrophobicContact CZ-CG2 3.98Å
388	H	76.9	Confident	92	Very high	117 Å²	117	44.3 Å²	44.3	54%	0.542	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-67.2	-20.9	-175.7	60.2	-80.7	0	0	0	114.8	K386	K386-H388 PolarHBondContact O-N 3.37Å
389	I	76.4	Confident	92	Very high	48 Å²	48	44.7 Å²	44.7	25%	0.246	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-113	5.8	172.8	57.2	168.7	0	0	0	112.5	K386 F387 T391	K386-I389 HydrophobicContact CB-CD1 3.79Å; K386-I389 HydrophobicContact CB-CG1 3.44Å; K386-I389 VanDerWaalsContact CB-CG1 3.44Å; K386-I389 HydrophobicContact CG-CD1 4.21Å; K386-I389 HydrophobicContact CG-CG1 4.39Å; K386-I389 PolarHBondContact O-N 2.55Å; F387-I389 VanDerWaalsContact C-N 3.27Å; F387-I389 PolarHBondContact O-N 3.43Å; I389-T391 VanDerWaalsContact C-N 3.27Å; I389-T391 PolarHBondContact O-N 3.12Å; I389-T391 PolarHBondContact O-OG1 3.12Å
390	N	82	Confident	91.9	Very high	62 Å²	62	45.3 Å²	45.3	33%	0.332	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	46.6	179.1	-170.3	24.9	0	0	0	113.5	L348 K349 F385 K386 F387	L348-N390 WeakPolarHBondContact CB-OD1 3.31Å; K349-N390 WeakPolarHBondContact CB-O 3.41Å; K349-N390 WeakPolarHBondContact CB-OD1 3.35Å; K349-N390 PolarHBondContact N-OD1 2.75Å; F385-N390 VanDerWaalsContact CZ-OD1 3.28Å; F385-N390 WeakPolarHBondContact CZ-OD1 3.33Å; K386-N390 PolarHBondContact O-N 2.87Å; F387-N390 PolarHBondContact O-N 2.91Å; F387-N390 VanDerWaalsContact O-N 3.1Å
391	T	86.1	Confident	91.9	Very high	47 Å²	47	46.5 Å²	46.5	29%	0.288	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.4	-171.3	-64.1	0	0	0	0	112.1	F385 K386 I389	F385-T391 WeakPolarHBondContact CA-O 3.23Å; F385-T391 WeakPolarHBondContact CD2-O 3.24Å; K386-T391 PolarHBondContact N-O 3.34Å; K386-T391 PolarHBondContact O-N 2.77Å; I389-T391 VanDerWaalsContact C-N 3.27Å; I389-T391 PolarHBondContact O-N 3.12Å; I389-T391 PolarHBondContact O-OG1 3.12Å
392	W	94.5	Very high	91.9	Very high	27 Å²	27	44.3 Å²	44.3	10%	0.102	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.3	172.9	-69.1	97.6	0	0	0	110.9	M322 I324 V335 K349 E350 L351 P352 E383 L384 F385	M322-W392 HydrophobicContact CE-CZ2 4.22Å; I324-W392 HydrophobicContact CD1-CH2 4.29Å; I324-W392 HydrophobicContact CG2-CH2 3.87Å; I324-W392 HydrophobicContact CG2-CZ2 3.96Å; V335-W392 HydrophobicContact CG2-CZ2 4.07Å; K349-W392 PolarHBondContact O-NE1 2.74Å; E350-W392 PolarHBondContact O-NE1 3.01Å; L351-W392 HydrophobicContact CD2-CD2 4.23Å; L351-W392 HydrophobicContact CD2-CE3 4.19Å; L351-W392 HydrophobicContact CD2-CH2 3.48Å; L351-W392 VanDerWaalsContact CD2-CH2 3.48Å; L351-W392 HydrophobicContact CD2-CZ2 3.53Å; L351-W392 HydrophobicContact CD2-CZ3 3.82Å; L351-W392 HydrophobicContact CG-CH2 4.44Å; L351-W392 HydrophobicContact CG-CZ2 4.07Å; P352-W392 HydrophobicContact CG-CB 3.93Å; P352-W392 HydrophobicContact CG-CG 4.32Å; E383-W392 HydrophobicContact CB-CD2 4.47Å; E383-W392 HydrophobicContact CB-CE3 3.47Å; E383-W392 VanDerWaalsContact CB-CE3 3.47Å; E383-W392 HydrophobicContact CB-CZ3 3.84Å; L384-W392 CarbonylContact O-C 3.51Å; L384-W392 WeakPolarHBondContact O-CA 3.48Å; F385-W392 HydrophobicContact CB-CD2 3.9Å; F385-W392 HydrophobicContact CB-CE3 3.61Å; F385-W392 HydrophobicContact CB-CH2 3.67Å; F385-W392 HydrophobicContact CB-CZ2 3.93Å; F385-W392 HydrophobicContact CB-CZ3 3.52Å; F385-W392 AromaticContact CD2-CD1 3.78Å; F385-W392 AromaticContact CD2-CD2 3.64Å; F385-W392 HydrophobicContact CD2-CD2 3.64Å; F385-W392 AromaticContact CD2-CE2 3.41Å; F385-W392 VanDerWaalsContact CD2-CE2 3.41Å; F385-W392 HydrophobicContact CD2-CE3 4.26Å; F385-W392 AromaticContact CD2-CG 3.86Å; F385-W392 HydrophobicContact CD2-CG 3.86Å; F385-W392 HydrophobicContact CD2-CH2 4.46Å; F385-W392 AromaticContact CD2-CZ2 3.86Å; F385-W392 HydrophobicContact CD2-CZ2 3.86Å; F385-W392 AromaticContact CD2-NE1 3.49Å; F385-W392 AromaticContact CE2-NE1 3.79Å; F385-W392 HydrophobicContact CG-CD2 4.21Å; F385-W392 HydrophobicContact CG-CE3 4.41Å; F385-W392 HydrophobicContact CG-CH2 4.27Å; F385-W392 HydrophobicContact CG-CZ2 4.04Å; F385-W392 HydrophobicContact CG-CZ3 4.46Å
393	M	93	Very high	91.9	Very high	56 Å²	56	44.3 Å²	44.3	28%	0.276	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.5	174.1	-58.1	-178.4	-54.7	0	0	108.8	E383 L384 K386	E383-M393 CarbonylContact C-O 3.57Å; E383-M393 WeakPolarHBondContact CA-O 3.32Å; L384-M393 HydrophobicContact CD2-CE 3.64Å; L384-M393 HydrophobicContact CG-CE 3.97Å; L384-M393 PolarHBondContact N-O 2.89Å; L384-M393 PolarHBondContact O-N 3.17Å; K386-M393 HydrophobicContact CD-CE 4.06Å; K386-M393 HydrophobicContact CG-CE 3.55Å
394	S	94.8	Very high	91.9	Very high	104 Å²	104	44.6 Å²	44.6	73%	0.727	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81	137.9	174.6	-65.3	0	0	0	0	111.1	E383	E383-S394 PolarHBondContact OE2-OG 3.43Å
395	A	93.8	Very high	92.1	Very high	21 Å²	21	44.3 Å²	44.3	17%	0.174	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	173.6	172.6	0	0	0	0	0	110.6	Y368 V382 L384	Y368-A395 HydrophobicContact CD1-CB 4.21Å; Y368-A395 HydrophobicContact CE1-CB 4.05Å; V382-A395 HydrophobicContact CB-CB 4.2Å; V382-A395 HydrophobicContact CG1-CB 3.98Å; V382-A395 PolarHBondContact O-N 2.9Å; L384-A395 HydrophobicContact CB-CB 4.3Å
396	A	94.8	Very high	92.3	Very high	23 Å²	23	44.6 Å²	44.6	19%	0.19	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-56.8	132.2	179.1	0	0	0	0	0	110.9	V382 Y432 S437 W439	V382-A396 WeakPolarHBondContact CG2-O 3.33Å; A396-Y432 HydrophobicContact CB-CE2 3.77Å; A396-S437 VanDerWaalsContact CB-O 3.23Å; A396-S437 WeakPolarHBondContact CB-O 3.43Å; A396-W439 PolarHBondContact O-NE1 3.2Å
397	P	97.9	Very high	93	Very high	61 Å²	61	44 Å²	44	40%	0.396	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-74.5	153.8	-179.1	31.3	-35.2	0	0	0	111.5	R380	R380-P397 HydrophobicContact CG-CB 4.11Å; R380-P397 CarbonylContact O-C 3.6Å; R380-P397 VanDerWaalsContact O-CA 3.31Å; R380-P397 WeakPolarHBondContact O-CA 3.4Å; R380-P397 WeakPolarHBondContact O-CB 3.43Å
398	L	98.4	Very high	93.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-56.2	152.3	167.7	-66.4	161.7	0	0	0	110.9	V370 R380 V382 S400 R402 L405 A416 W439	V370-L398 HydrophobicContact CG1-CD1 3.89Å; V370-L398 HydrophobicContact CG1-CD2 3.9Å; V370-L398 HydrophobicContact CG1-CG 4.08Å; R380-L398 HydrophobicContact CB-CB 4.06Å; R380-L398 WeakPolarHBondContact CD-O 3.4Å; R380-L398 PolarHBondContact O-N 3.49Å; V382-L398 HydrophobicContact CG2-CG 4.26Å; L398-S400 VanDerWaalsContact CB-O 3.23Å; L398-S400 WeakPolarHBondContact CB-O 3.29Å; L398-R402 HydrophobicContact CD1-CB 4.09Å; L398-R402 HydrophobicContact CD1-CG 4.21Å; L398-L405 HydrophobicContact CD1-CD1 4.43Å; L398-A416 HydrophobicContact CD2-CB 3.72Å; L398-W439 HydrophobicContact CD2-CD2 3.8Å; L398-W439 HydrophobicContact CD2-CE3 3.66Å; L398-W439 HydrophobicContact CD2-CH2 3.67Å; L398-W439 HydrophobicContact CD2-CZ2 3.8Å; L398-W439 HydrophobicContact CD2-CZ3 3.6Å; L398-W439 HydrophobicContact CG-CZ2 4.41Å
399	Q	97.2	Very high	94.4	Very high	90 Å²	90	40.5 Å²	40.5	42%	0.421	22%	0.222	S	C	.	.	S	Bend	trans	-66.6	-46.6	173.4	-58.6	-63.7	-32.8	0	0	110.3	E430 W439 Y441	Q399-E430 VanDerWaalsContact CB-OE2 3.23Å; Q399-E430 WeakPolarHBondContact CB-OE2 3.42Å; Q399-E430 WeakPolarHBondContact CG-OE2 3.28Å; Q399-E430 PolarHBondContact N-OE2 2.9Å; Q399-W439 HydrophobicContact CG-CB 4.2Å; Q399-W439 PolarHBondContact NE2-O 3.4Å; Q399-W439 VanDerWaalsContact NE2-O 3.14Å; Q399-Y441 HydrophobicContact CB-CE1 4.36Å; Q399-Y441 HydrophobicContact CB-CE2 3.8Å; Q399-Y441 VanDerWaalsContact CB-OH 3.29Å; Q399-Y441 WeakPolarHBondContact CB-OH 3.28Å; Q399-Y441 HydrophobicContact CG-CE2 4.09Å
400	S	95.6	Very high	95.1	Very high	28 Å²	28	38.6 Å²	38.6	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	-101.1	152.7	175.8	-65.7	0	0	0	0	112.6	L398 E430 Y441	L398-S400 VanDerWaalsContact CB-O 3.23Å; L398-S400 WeakPolarHBondContact CB-O 3.29Å; S400-E430 PolarHBondContact N-OE1 2.93Å; S400-Y441 PolarHBondContact OG-OH 2.95Å
401	R	98.1	Very high	95	Very high	157 Å²	157	37.9 Å²	37.9	59%	0.592	22%	0.22	S	C	*	.			trans	-67.7	135	163.8	-67.1	173.7	-174.9	138.7	2.5	108.7	R378 R380 D421	R378-R401 HydrophobicContact CB-CB 4.44Å; R378-R401 WeakPolarHBondContact O-CD 3.33Å; R380-R401 HydrophobicContact CB-CG 4.38Å; R401-D421 WeakPolarHBondContact O-CA 3.13Å; R401-D421 VanDerWaalsContact O-CB 3.32Å; R401-D421 WeakPolarHBondContact O-CB 3.37Å
402	R	98.5	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.218	C	C	.	.			trans	-142.1	122.6	-179.2	-61.8	-175.6	178.8	-95.2	-2.8	110	G372 V379 L398 L405 G418 L426 T428 E430	G372-R402 PolarHBondContact N-O 3.29Å; V379-R402 PolarHBondContact O-N 2.77Å; L398-R402 HydrophobicContact CD1-CB 4.09Å; L398-R402 HydrophobicContact CD1-CG 4.21Å; R402-L405 HydrophobicContact CB-CB 4.18Å; R402-L405 HydrophobicContact CB-CD1 3.69Å; R402-L405 HydrophobicContact CB-CG 4.43Å; R402-L405 HydrophobicContact CG-CD1 4.49Å; R402-G418 PolarHBondContact NH1-O 3.07Å; R402-L426 HydrophobicContact CG-CD1 3.71Å; R402-T428 PolarHBondContact NH1-O 3.47Å; R402-T428 PolarHBondContact NH2-OG1 3.07Å; R402-E430 IonicContact CZ-OE1 2.97Å; R402-E430 IonicContact NE-OE1 3.06Å; R402-E430 PolarHBondContact NE-OE1 2.86Å; R402-E430 IonicContact NH2-OE1 3.32Å; R402-E430 PolarHBondContact NH2-OE1 2.95Å
403	S	98.2	Very high	94.4	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.021	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-121.1	160.1	163.4	62.9	0	0	0	0	109.4	R357 R378 L405 G419 F420	R357-S403 CarbonylContact O-C 3.41Å; R378-S403 VanDerWaalsContact CG-OG 3.3Å; R378-S403 WeakPolarHBondContact CG-OG 3.21Å; S403-L405 PolarHBondContact O-N 2.78Å; S403-G419 CarbonylContact O-C 3.59Å; S403-G419 WeakPolarHBondContact O-CA 3.46Å; S403-F420 PolarHBondContact N-O 2.8Å; S403-F420 PolarHBondContact O-N 2.79Å; S403-F420 PolarHBondContact OG-O 3.03Å
404	T	98	Very high	94.6	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.086	20%	0.202	C	C	.	.	S	Bend	trans	52.1	28.8	-175.7	68	0	0	0	0	113.6	R357 S451 V452 Y595	R357-T404 HydrophobicContact CB-CG2 3.83Å; R357-T404 HydrophobicContact CG-CG2 3.94Å; R357-T404 PolarHBondContact O-N 2.85Å; T404-S451 VanDerWaalsContact O-CA 3.27Å; T404-S451 WeakPolarHBondContact O-CA 3.4Å; T404-S451 PolarHBondContact O-N 2.97Å; T404-S451 PolarHBondContact OG1-N 2.95Å; T404-V452 PolarHBondContact O-N 2.92Å; T404-Y595 HydrophobicContact CG2-CE1 4.14Å
405	L	98.6	Very high	94.8	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.058	17%	0.168	C	C	.	.			trans	-78.7	161.3	173.8	77.7	179.9	0	0	0	110.7	V370 L398 R402 S403 V407 A416	V370-L405 HydrophobicContact CG1-CD1 4.21Å; L398-L405 HydrophobicContact CD1-CD1 4.43Å; R402-L405 HydrophobicContact CB-CB 4.18Å; R402-L405 HydrophobicContact CB-CD1 3.69Å; R402-L405 HydrophobicContact CB-CG 4.43Å; R402-L405 HydrophobicContact CG-CD1 4.49Å; S403-L405 PolarHBondContact O-N 2.78Å; L405-V407 HydrophobicContact CD1-CG2 3.88Å; L405-V407 HydrophobicContact CG-CG2 3.94Å; L405-A416 HydrophobicContact CD1-CB 4.12Å
406	G	98.4	Very high	95	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.1	163.8	0	0	0	0	0	110.4	V417 V452	G406-V417 PolarHBondContact N-O 2.78Å; G406-V417 PolarHBondContact O-N 3.36Å; G406-V452 VanDerWaalsContact N-CG1 3.32Å
407	V	98.7	Very high	95.2	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.097	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138	178.7	173.4	0	0	0	0	109.6	A361 V370 L405 I414 Y415 A416	A361-V407 HydrophobicContact CB-CG1 3.84Å; V370-V407 HydrophobicContact CB-CG2 4.01Å; V370-V407 HydrophobicContact CG1-CG2 4.08Å; V370-V407 HydrophobicContact CG2-CG1 4.32Å; L405-V407 HydrophobicContact CD1-CG2 3.88Å; L405-V407 HydrophobicContact CG-CG2 3.94Å; V407-I414 HydrophobicContact CG1-CG2 3.57Å; V407-Y415 VanDerWaalsContact CA-O 3.22Å; V407-Y415 WeakPolarHBondContact CA-O 3.44Å; V407-A416 HydrophobicContact CG2-CB 4.33Å
408	A	97.1	Very high	95.2	Very high	12 Å²	12	23.7 Å²	23.7	10%	0.099	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.6	168.4	0	0	0	0	0	111.4	Y415 V454 V456 L461	A408-Y415 PolarHBondContact N-O 2.84Å; A408-Y415 VanDerWaalsContact N-O 3.16Å; A408-Y415 PolarHBondContact O-N 2.85Å; A408-V454 HydrophobicContact CB-CG1 3.87Å; A408-V456 HydrophobicContact CB-CG2 3.75Å; A408-L461 HydrophobicContact CB-CD1 3.71Å
409	E	92.8	Very high	95.2	Very high	64 Å²	64	23.7 Å²	23.7	30%	0.299	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.4	171.4	-175.9	-75	136	0	0	109.4	A361 V363 G411 G412 R413 V456	A361-E409 HydrophobicContact CB-CB 4.34Å; V363-E409 HydrophobicContact CB-CG 4.38Å; V363-E409 HydrophobicContact CG1-CG 4.47Å; V363-E409 HydrophobicContact CG2-CG 3.82Å; E409-G411 PolarHBondContact OE1-N 3.02Å; E409-G412 WeakPolarHBondContact OE1-CA 3.3Å; E409-G412 PolarHBondContact OE1-N 2.77Å; E409-R413 CarbonylContact C-O 3.58Å; E409-R413 WeakPolarHBondContact CA-O 3.35Å; E409-V456 WeakPolarHBondContact O-CG2 3.4Å
410	M	90.1	Very high	95.2	Very high	8 Å²	8	22 Å²	22	4%	0.039	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	114	173.5	-177.7	169.6	55.7	0	0	110.5	R413 Y415 V456 L461 Y481 P483	M410-R413 PolarHBondContact N-O 3.29Å; M410-R413 PolarHBondContact O-N 3.15Å; M410-Y415 HydrophobicContact CB-CD2 4.08Å; M410-Y415 HydrophobicContact CB-CE2 3.83Å; M410-Y415 HydrophobicContact CE-CD2 4.11Å; M410-Y415 HydrophobicContact CE-CE1 4.26Å; M410-Y415 HydrophobicContact CE-CE2 3.64Å; M410-V456 HydrophobicContact CB-CG1 4.1Å; M410-V456 HydrophobicContact CB-CG2 3.88Å; M410-V456 HydrophobicContact CG-CG1 3.84Å; M410-V456 HydrophobicContact CG-CG2 4.41Å; M410-V456 HydrophobicContact SD-CG1 3.77Å; M410-V456 HydrophobicContact SD-CG2 4.26Å; M410-L461 HydrophobicContact CE-CB 4.01Å; M410-Y481 HydrophobicContact CE-CD1 4.47Å; M410-P483 HydrophobicContact CE-CB 4.42Å; M410-P483 HydrophobicContact CE-CG 3.27Å; M410-P483 HydrophobicContact SD-CG 3.96Å
411	G	80	Confident	95.2	Very high	47 Å²	47	22.9 Å²	22.9	49%	0.485	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	38.6	174.1	0	0	0	0	0	113.7	E409 R413	E409-G411 PolarHBondContact OE1-N 3.02Å; G411-R413 VanDerWaalsContact C-N 3.26Å; G411-R413 PolarHBondContact O-N 3.03Å
412	G	80.8	Confident	95	Very high	25 Å²	25	17.1 Å²	17.1	26%	0.258	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	7.7	-178.3	0	0	0	0	0	114.1	E409 P434	E409-G412 WeakPolarHBondContact OE1-CA 3.3Å; E409-G412 PolarHBondContact OE1-N 2.77Å; G412-P434 WeakPolarHBondContact O-CD 3.37Å; G412-P434 WeakPolarHBondContact O-CG 2.93Å
413	R	88.1	Confident	94.7	Very high	12 Å²	12	22.3 Å²	22.3	5%	0.045	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.4	-178.4	-69.1	179.6	170.1	-155.5	-8.2	111	E409 M410 G411 Y415 Y432 D433 W618	E409-R413 CarbonylContact C-O 3.58Å; E409-R413 WeakPolarHBondContact CA-O 3.35Å; M410-R413 PolarHBondContact N-O 3.29Å; M410-R413 PolarHBondContact O-N 3.15Å; G411-R413 VanDerWaalsContact C-N 3.26Å; G411-R413 PolarHBondContact O-N 3.03Å; R413-Y415 HydrophobicContact CB-CD2 4.49Å; R413-Y415 HydrophobicContact CB-CE2 3.76Å; R413-Y432 WeakPolarHBondContact CA-O 3.27Å; R413-Y432 WeakPolarHBondContact CB-O 3.49Å; R413-D433 IonicContact CZ-OD2 3.85Å; R413-D433 IonicContact NE-OD2 2.64Å; R413-D433 PolarHBondContact NE-OD2 3.3Å; R413-D433 IonicContact NH2-OD2 2.74Å; R413-D433 PolarHBondContact NH2-OD2 3.26Å; R413-W618 VanDerWaalsContact NH1-CE2 3.27Å; R413-W618 VanDerWaalsContact NH1-CH2 3.34Å
414	I	96.8	Very high	94.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.8	178.8	-51	172.7	0	0	0	109.1	A361 V363 Y368 V370 V407 A431 Y432 W439	A361-I414 HydrophobicContact CB-CB 4.32Å; A361-I414 HydrophobicContact CB-CD1 4.08Å; A361-I414 HydrophobicContact CB-CG1 3.91Å; A361-I414 HydrophobicContact CB-CG2 3.61Å; V363-I414 HydrophobicContact CG2-CD1 3.74Å; V363-I414 HydrophobicContact CG2-CG1 3.47Å; V363-I414 VanDerWaalsContact CG2-CG1 3.47Å; Y368-I414 HydrophobicContact CD1-CD1 3.86Å; Y368-I414 HydrophobicContact CD2-CD1 3.49Å; Y368-I414 VanDerWaalsContact CD2-CD1 3.49Å; Y368-I414 HydrophobicContact CE1-CD1 4.34Å; Y368-I414 HydrophobicContact CE2-CD1 4.03Å; Y368-I414 HydrophobicContact CG-CD1 3.39Å; V370-I414 HydrophobicContact CG2-CG2 4.29Å; V407-I414 HydrophobicContact CG1-CG2 3.57Å; I414-A431 CarbonylContact O-C 3.54Å; I414-A431 VanDerWaalsContact O-CA 3.25Å; I414-A431 WeakPolarHBondContact O-CA 3.34Å; I414-Y432 HydrophobicContact CD1-CD1 3.79Å; I414-Y432 HydrophobicContact CD1-CE1 4.43Å; I414-Y432 HydrophobicContact CG1-CD1 4.22Å; I414-Y432 PolarHBondContact N-O 3.16Å; I414-Y432 VanDerWaalsContact N-O 3.08Å; I414-Y432 PolarHBondContact O-N 3.45Å; I414-W439 HydrophobicContact CB-CH2 4.27Å; I414-W439 HydrophobicContact CG2-CH2 4.01Å
415	Y	98.5	Very high	94.4	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.5	178.4	-67.5	-97.6	0	0	0	109.8	V407 A408 M410 R413 E430 A431 I442 L461 Y481	V407-Y415 VanDerWaalsContact CA-O 3.22Å; V407-Y415 WeakPolarHBondContact CA-O 3.44Å; A408-Y415 PolarHBondContact N-O 2.84Å; A408-Y415 VanDerWaalsContact N-O 3.16Å; A408-Y415 PolarHBondContact O-N 2.85Å; M410-Y415 HydrophobicContact CB-CD2 4.08Å; M410-Y415 HydrophobicContact CB-CE2 3.83Å; M410-Y415 HydrophobicContact CE-CD2 4.11Å; M410-Y415 HydrophobicContact CE-CE1 4.26Å; M410-Y415 HydrophobicContact CE-CE2 3.64Å; R413-Y415 HydrophobicContact CB-CD2 4.49Å; R413-Y415 HydrophobicContact CB-CE2 3.76Å; Y415-E430 CarbonylContact C-O 3.59Å; Y415-E430 WeakPolarHBondContact CA-O 3.39Å; Y415-A431 HydrophobicContact CD1-CB 3.73Å; Y415-A431 HydrophobicContact CE1-CB 3.61Å; Y415-A431 HydrophobicContact CG-CB 4.41Å; Y415-I442 HydrophobicContact CD1-CD1 3.95Å; Y415-I442 HydrophobicContact CE1-CD1 4.28Å; Y415-L461 HydrophobicContact CD1-CD2 4.13Å; Y415-L461 HydrophobicContact CG-CD2 3.98Å; Y415-Y481 HydrophobicContact CD1-CE1 4.44Å; Y415-Y481 HydrophobicContact CE1-CD1 4.44Å; Y415-Y481 AromaticContact CE1-CE1 3.82Å; Y415-Y481 HydrophobicContact CE1-CE1 3.82Å
416	A	98.7	Very high	94.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113	175.7	0	0	0	0	0	109.7	V370 L398 L405 V407 A429 E430 W439	V370-A416 HydrophobicContact CG1-CB 4.23Å; L398-A416 HydrophobicContact CD2-CB 3.72Å; L405-A416 HydrophobicContact CD1-CB 4.12Å; V407-A416 HydrophobicContact CG2-CB 4.33Å; A416-A429 CarbonylContact O-C 3.48Å; A416-A429 VanDerWaalsContact O-CA 3.25Å; A416-A429 WeakPolarHBondContact O-CA 3.27Å; A416-E430 PolarHBondContact N-O 2.93Å; A416-E430 PolarHBondContact O-N 3.39Å; A416-W439 HydrophobicContact CB-CH2 4.09Å; A416-W439 HydrophobicContact CB-CZ3 3.71Å
417	V	98.8	Very high	94.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.4	-168.4	-175.5	0	0	0	0	110.9	G406 A429 M445 V452 V454 L461 A463 W488	G406-V417 PolarHBondContact N-O 2.78Å; G406-V417 PolarHBondContact O-N 3.36Å; V417-A429 HydrophobicContact CB-CB 4.33Å; V417-A429 HydrophobicContact CG1-CB 4.28Å; V417-A429 HydrophobicContact CG2-CB 4.14Å; V417-M445 HydrophobicContact CG1-CE 3.74Å; V417-M445 HydrophobicContact CG1-SD 3.46Å; V417-M445 WeakPolarHBondContact CG1-SD 3.49Å; V417-V452 WeakPolarHBondContact O-CG1 3.27Å; V417-V454 HydrophobicContact CB-CG2 3.92Å; V417-V454 HydrophobicContact CG1-CG2 4.37Å; V417-V454 HydrophobicContact CG2-CG1 4.36Å; V417-V454 HydrophobicContact CG2-CG2 4.19Å; V417-L461 HydrophobicContact CG2-CD2 3.62Å; V417-A463 HydrophobicContact CG1-CB 4.08Å; V417-W488 HydrophobicContact CG1-CH2 3.85Å; V417-W488 HydrophobicContact CG1-CZ2 4.16Å; V417-W488 HydrophobicContact CG2-CH2 4.02Å; V417-W488 HydrophobicContact CG2-CZ2 4.32Å
418	G	98.3	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.178	C	C	.	.			trans	59.8	-141	173.7	0	0	0	0	0	113.2	R402 T428 R449	R402-G418 PolarHBondContact NH1-O 3.07Å; G418-T428 PolarHBondContact N-O 2.78Å; G418-T428 VanDerWaalsContact N-O 3.11Å; G418-R449 CarbonylContact C-O 3.36Å; G418-R449 WeakPolarHBondContact CA-O 3.36Å
419	G	98	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.174	C	C	.	.			trans	95.6	-162.3	-174	0	0	0	0	0	113.4	S403 G425 L426 R449	S403-G419 CarbonylContact O-C 3.59Å; S403-G419 WeakPolarHBondContact O-CA 3.46Å; G419-G425 CarbonylContact O-C 3.57Å; G419-G425 WeakPolarHBondContact O-CA 3.25Å; G419-L426 PolarHBondContact O-N 2.8Å; G419-R449 PolarHBondContact N-O 3.07Å
420	F	97.1	Very high	94.6	Very high	55 Å²	55	23.4 Å²	23.4	24%	0.241	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-135.7	127.5	-176.9	-176.9	-100.8	0	0	0	109.8	S403 G422 T424	S403-F420 PolarHBondContact N-O 2.8Å; S403-F420 PolarHBondContact O-N 2.79Å; S403-F420 PolarHBondContact OG-O 3.03Å; F420-G422 WeakPolarHBondContact CZ-O 3.17Å; F420-T424 VanDerWaalsContact CD2-O 3.23Å; F420-T424 WeakPolarHBondContact CD2-O 3.38Å
421	D	96.2	Very high	95	Very high	47 Å²	47	23 Å²	23	25%	0.251	16%	0.157	S	C	.	.			trans	-88.8	-10.1	-173.4	63.3	1.5	0	0	0	114.6	R401 S423 T424 L426	R401-D421 WeakPolarHBondContact O-CA 3.13Å; R401-D421 VanDerWaalsContact O-CB 3.32Å; R401-D421 WeakPolarHBondContact O-CB 3.37Å; D421-S423 WeakPolarHBondContact OD1-CA 3.11Å; D421-S423 PolarHBondContact OD1-N 2.83Å; D421-T424 PolarHBondContact N-O 2.8Å; D421-T424 PolarHBondContact OD1-N 3.09Å; D421-L426 HydrophobicContact CB-CD1 4.29Å; D421-L426 HydrophobicContact CB-CD2 4.14Å; D421-L426 HydrophobicContact CB-CG 4.42Å
422	G	93.3	Very high	95.8	Very high	35 Å²	35	21.1 Å²	21.1	36%	0.361	14%	0.136	S	C	.	.	S	Bend	trans	119.7	-22.1	-170.5	0	0	0	0	0	113.1	F420	F420-G422 WeakPolarHBondContact CZ-O 3.17Å
423	S	93.1	Very high	95.9	Very high	110 Å²	110	20.2 Å²	20.2	77%	0.769	13%	0.125	S	C	*	.	S	Bend	trans	-122.4	-44.2	-176.6	-61.9	0	0	0	0	112.4	D421	D421-S423 WeakPolarHBondContact OD1-CA 3.11Å; D421-S423 PolarHBondContact OD1-N 2.83Å
424	T	93.5	Very high	95.7	Very high	56 Å²	56	21.1 Å²	21.1	34%	0.344	13%	0.132	S	C	.	.	S	Bend	trans	-145.2	158.3	-177.2	-163.2	0	0	0	0	112.8	F420 D421 K448	F420-T424 VanDerWaalsContact CD2-O 3.23Å; F420-T424 WeakPolarHBondContact CD2-O 3.38Å; D421-T424 PolarHBondContact N-O 2.8Å; D421-T424 PolarHBondContact OD1-N 3.09Å; T424-K448 PolarHBondContact OG1-NZ 3.37Å
425	G	94.7	Very high	95	Very high	7 Å²	7	29.7 Å²	29.7	7%	0.072	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-65	140.5	166.8	0	0	0	0	0	110.3	G419 K448	G419-G425 CarbonylContact O-C 3.57Å; G419-G425 WeakPolarHBondContact O-CA 3.25Å; G425-K448 WeakPolarHBondContact O-CD 3.3Å; G425-K448 VanDerWaalsContact O-CE 3.29Å; G425-K448 WeakPolarHBondContact O-CE 3.17Å; G425-K448 WeakPolarHBondContact O-CG 3.46Å
426	L	97.4	Very high	94.1	Very high	15 Å²	15	32.5 Å²	32.5	8%	0.079	18%	0.184	C	C	.	.			trans	-94.5	136.6	-174.8	-63.6	174.2	0	0	0	111.2	R402 G419 D421 R449	R402-L426 HydrophobicContact CG-CD1 3.71Å; G419-L426 PolarHBondContact O-N 2.8Å; D421-L426 HydrophobicContact CB-CD1 4.29Å; D421-L426 HydrophobicContact CB-CD2 4.14Å; D421-L426 HydrophobicContact CB-CG 4.42Å; L426-R449 PolarHBondContact O-N 2.86Å; L426-R449 VanDerWaalsContact O-N 3.09Å
427	I	97.4	Very high	93.7	Very high	49 Å²	49	35.3 Å²	35.3	25%	0.251	20%	0.204	S	C	.	.			trans	-95.1	-14.5	170.9	-164.8	167.4	0	0	0	112.1	Q444 M445 K448	I427-Q444 HydrophobicContact CG1-CB 4.44Å; I427-M445 WeakPolarHBondContact CD1-O 3.14Å; I427-M445 HydrophobicContact CG1-CB 4.35Å; I427-M445 WeakPolarHBondContact CG1-O 3.49Å; I427-M445 PolarHBondContact O-N 3.25Å; I427-K448 HydrophobicContact CB-CG 3.9Å
428	T	98.5	Very high	93.2	Very high	22 Å²	22	40.1 Å²	40.1	14%	0.135	23%	0.226	C	C	.	.			trans	-85.2	155.2	-174.8	56.2	0	0	0	0	111.3	R402 G418 Q444	R402-T428 PolarHBondContact NH1-O 3.47Å; R402-T428 PolarHBondContact NH2-OG1 3.07Å; G418-T428 PolarHBondContact N-O 2.78Å; G418-T428 VanDerWaalsContact N-O 3.11Å; T428-Q444 HydrophobicContact CG2-CG 4.16Å
429	A	98.7	Very high	93.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.6	167.5	0	0	0	0	0	109.8	A416 V417 I442 W488	A416-A429 CarbonylContact O-C 3.48Å; A416-A429 VanDerWaalsContact O-CA 3.25Å; A416-A429 WeakPolarHBondContact O-CA 3.27Å; V417-A429 HydrophobicContact CB-CB 4.33Å; V417-A429 HydrophobicContact CG1-CB 4.28Å; V417-A429 HydrophobicContact CG2-CB 4.14Å; A429-I442 HydrophobicContact CB-CD1 3.75Å; A429-I442 HydrophobicContact CB-CG1 3.65Å; A429-I442 WeakPolarHBondContact O-CG1 2.86Å; A429-I442 PolarHBondContact O-N 3.3Å; A429-W488 HydrophobicContact CB-CZ2 4.05Å
430	E	98.4	Very high	93.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.9	179.9	-68	168	-121.1	0	0	109.7	Q399 S400 R402 Y415 A416 W439 Q440 Y441	Q399-E430 VanDerWaalsContact CB-OE2 3.23Å; Q399-E430 WeakPolarHBondContact CB-OE2 3.42Å; Q399-E430 WeakPolarHBondContact CG-OE2 3.28Å; Q399-E430 PolarHBondContact N-OE2 2.9Å; S400-E430 PolarHBondContact N-OE1 2.93Å; R402-E430 IonicContact CZ-OE1 2.97Å; R402-E430 IonicContact NE-OE1 3.06Å; R402-E430 PolarHBondContact NE-OE1 2.86Å; R402-E430 IonicContact NH2-OE1 3.32Å; R402-E430 PolarHBondContact NH2-OE1 2.95Å; Y415-E430 CarbonylContact C-O 3.59Å; Y415-E430 WeakPolarHBondContact CA-O 3.39Å; A416-E430 PolarHBondContact N-O 2.93Å; A416-E430 PolarHBondContact O-N 3.39Å; E430-W439 HydrophobicContact CB-CE3 3.83Å; E430-W439 HydrophobicContact CB-CZ3 4.37Å; E430-Q440 CarbonylContact C-O 3.58Å; E430-Q440 VanDerWaalsContact CA-O 3.24Å; E430-Q440 WeakPolarHBondContact CA-O 3.11Å; E430-Y441 HydrophobicContact CG-CD1 3.41Å; E430-Y441 VanDerWaalsContact CG-CD1 3.41Å; E430-Y441 HydrophobicContact CG-CE1 3.52Å; E430-Y441 HydrophobicContact CG-CG 4.21Å
431	A	97.9	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	174.5	0	0	0	0	0	110.3	I414 Y415 W439 Q440 I442 W618	I414-A431 CarbonylContact O-C 3.54Å; I414-A431 VanDerWaalsContact O-CA 3.25Å; I414-A431 WeakPolarHBondContact O-CA 3.34Å; Y415-A431 HydrophobicContact CD1-CB 3.73Å; Y415-A431 HydrophobicContact CE1-CB 3.61Å; Y415-A431 HydrophobicContact CG-CB 4.41Å; A431-W439 CarbonylContact O-C 3.57Å; A431-W439 WeakPolarHBondContact O-CA 3.23Å; A431-Q440 PolarHBondContact N-O 3.44Å; A431-Q440 PolarHBondContact O-N 2.82Å; A431-I442 HydrophobicContact CB-CG2 3.75Å; A431-W618 HydrophobicContact CB-CH2 3.96Å; A431-W618 HydrophobicContact CB-CZ2 4.39Å
432	Y	96.7	Very high	93.3	Very high	7 Å²	7	45 Å²	45	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.6	176	-178.1	-115.9	0	0	0	110.3	Y368 A396 R413 I414 P434 Q438 W439	Y368-Y432 AromaticContact CE1-CE1 3.93Å; Y368-Y432 HydrophobicContact CE1-CE1 3.93Å; A396-Y432 HydrophobicContact CB-CE2 3.77Å; R413-Y432 WeakPolarHBondContact CA-O 3.27Å; R413-Y432 WeakPolarHBondContact CB-O 3.49Å; I414-Y432 HydrophobicContact CD1-CD1 3.79Å; I414-Y432 HydrophobicContact CD1-CE1 4.43Å; I414-Y432 HydrophobicContact CG1-CD1 4.22Å; I414-Y432 PolarHBondContact N-O 3.16Å; I414-Y432 VanDerWaalsContact N-O 3.08Å; I414-Y432 PolarHBondContact O-N 3.45Å; Y432-P434 HydrophobicContact CD1-CG 3.9Å; Y432-P434 HydrophobicContact CE1-CB 3.97Å; Y432-P434 HydrophobicContact CE1-CG 3.77Å; Y432-Q438 WeakPolarHBondContact CA-O 3.5Å; Y432-Q438 WeakPolarHBondContact CD2-O 3.4Å; Y432-W439 AromaticContact CD2-CD1 3.62Å; Y432-W439 AromaticContact CD2-CD2 3.98Å; Y432-W439 HydrophobicContact CD2-CD2 3.98Å; Y432-W439 AromaticContact CD2-CE2 3.7Å; Y432-W439 AromaticContact CD2-CG 3.95Å; Y432-W439 HydrophobicContact CD2-CG 3.95Å; Y432-W439 HydrophobicContact CD2-CZ2 4.31Å; Y432-W439 AromaticContact CD2-NE1 3.46Å; Y432-W439 HydrophobicContact CG-CD2 4.17Å; Y432-W439 AromaticContact CG-CE2 3.83Å; Y432-W439 HydrophobicContact CG-CH2 4.48Å; Y432-W439 HydrophobicContact CG-CZ2 4.01Å
433	D	84.7	Confident	93.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	108.2	169	-168.4	-28.5	0	0	0	109.3	R413 R435 C436 S437 Q438	R413-D433 IonicContact CZ-OD2 3.85Å; R413-D433 IonicContact NE-OD2 2.64Å; R413-D433 PolarHBondContact NE-OD2 3.3Å; R413-D433 IonicContact NH2-OD2 2.74Å; R413-D433 PolarHBondContact NH2-OD2 3.26Å; D433-R435 PolarHBondContact O-N 3.27Å; D433-R435 VanDerWaalsContact O-N 3.13Å; D433-R435 VanDerWaalsContact OD1-CB 3.27Å; D433-R435 WeakPolarHBondContact OD1-CB 3.42Å; D433-R435 WeakPolarHBondContact OD1-CG 3.12Å; D433-R435 IonicContact OD1-CZ 3.58Å; D433-R435 PolarHBondContact OD1-N 3.24Å; D433-R435 VanDerWaalsContact OD1-N 3.07Å; D433-R435 IonicContact OD1-NE 3.67Å; D433-R435 PolarHBondContact OD1-NE 3.31Å; D433-R435 IonicContact OD1-NH2 3.71Å; D433-R435 IonicContact OD2-CZ 2.6Å; D433-R435 IonicContact OD2-NE 2.7Å; D433-R435 PolarHBondContact OD2-NE 3.2Å; D433-R435 IonicContact OD2-NH2 3.47Å; D433-R435 PolarHBondContact OD2-NH2 3.14Å; D433-C436 PolarHBondContact O-N 3.05Å; D433-S437 PolarHBondContact O-N 3.03Å; D433-Q438 PolarHBondContact N-O 3.3Å; D433-Q438 VanDerWaalsContact N-O 3.1Å
434	P	82.2	Confident	93.8	Very high	32 Å²	32	45 Å²	45	21%	0.208	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27	179.8	-24.6	33.2	0	0	0	113.8	V363 G412 Y432 C436 S437	V363-P434 HydrophobicContact CG1-CG 4.35Å; G412-P434 WeakPolarHBondContact O-CD 3.37Å; G412-P434 WeakPolarHBondContact O-CG 2.93Å; Y432-P434 HydrophobicContact CD1-CG 3.9Å; Y432-P434 HydrophobicContact CE1-CB 3.97Å; Y432-P434 HydrophobicContact CE1-CG 3.77Å; P434-C436 VanDerWaalsContact C-N 3.34Å; P434-C436 PolarHBondContact O-N 3.26Å; P434-S437 PolarHBondContact O-N 2.74Å; P434-S437 PolarHBondContact O-OG 2.94Å
435	R	82.3	Confident	94	Very high	180 Å²	180	42.6 Å²	42.6	68%	0.679	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.3	-176.2	-58.3	172.3	-66.2	-177.5	2.1	112.9	D433	D433-R435 PolarHBondContact O-N 3.27Å; D433-R435 VanDerWaalsContact O-N 3.13Å; D433-R435 VanDerWaalsContact OD1-CB 3.27Å; D433-R435 WeakPolarHBondContact OD1-CB 3.42Å; D433-R435 WeakPolarHBondContact OD1-CG 3.12Å; D433-R435 IonicContact OD1-CZ 3.58Å; D433-R435 PolarHBondContact OD1-N 3.24Å; D433-R435 VanDerWaalsContact OD1-N 3.07Å; D433-R435 IonicContact OD1-NE 3.67Å; D433-R435 PolarHBondContact OD1-NE 3.31Å; D433-R435 IonicContact OD1-NH2 3.71Å; D433-R435 IonicContact OD2-CZ 2.6Å; D433-R435 IonicContact OD2-NE 2.7Å; D433-R435 PolarHBondContact OD2-NE 3.2Å; D433-R435 IonicContact OD2-NH2 3.47Å; D433-R435 PolarHBondContact OD2-NH2 3.14Å
436	C	81.2	Confident	94.1	Very high	63 Å²	63	45.1 Å²	45.1	43%	0.426	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-1.5	175.5	63.8	0	0	0	0	113.1	D433 P434 Q438	D433-C436 PolarHBondContact O-N 3.05Å; P434-C436 VanDerWaalsContact C-N 3.34Å; P434-C436 PolarHBondContact O-N 3.26Å; C436-Q438 VanDerWaalsContact C-N 3.28Å; C436-Q438 WeakPolarHBondContact O-CG 3.22Å; C436-Q438 PolarHBondContact O-N 3.14Å
437	S	88.9	Confident	94	Very high	58 Å²	58	45.6 Å²	45.6	41%	0.406	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	42.7	-179.4	-63.2	0	0	0	0	113	A396 D433 P434	A396-S437 VanDerWaalsContact CB-O 3.23Å; A396-S437 WeakPolarHBondContact CB-O 3.43Å; D433-S437 PolarHBondContact O-N 3.03Å; P434-S437 PolarHBondContact O-N 2.74Å; P434-S437 PolarHBondContact O-OG 2.94Å
438	Q	89.2	Confident	94	Very high	102 Å²	102	47 Å²	47	48%	0.477	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.9	-179.6	-66.6	-60.2	-35.2	0	0	112.3	Y432 D433 C436	Y432-Q438 WeakPolarHBondContact CA-O 3.5Å; Y432-Q438 WeakPolarHBondContact CD2-O 3.4Å; D433-Q438 PolarHBondContact N-O 3.3Å; D433-Q438 VanDerWaalsContact N-O 3.1Å; C436-Q438 VanDerWaalsContact C-N 3.28Å; C436-Q438 WeakPolarHBondContact O-CG 3.22Å; C436-Q438 PolarHBondContact O-N 3.14Å
439	W	97.8	Very high	93.9	Very high	6 Å²	6	46 Å²	46	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.1	166.6	-71	91.2	0	0	0	110.3	V370 V382 A396 L398 Q399 I414 A416 E430 A431 Y432	V370-W439 HydrophobicContact CG1-CH2 3.79Å; V370-W439 HydrophobicContact CG1-CZ2 4.03Å; V370-W439 HydrophobicContact CG2-CH2 4.39Å; V370-W439 HydrophobicContact CG2-CZ2 4.45Å; V382-W439 HydrophobicContact CG2-CZ2 3.92Å; A396-W439 PolarHBondContact O-NE1 3.2Å; L398-W439 HydrophobicContact CD2-CD2 3.8Å; L398-W439 HydrophobicContact CD2-CE3 3.66Å; L398-W439 HydrophobicContact CD2-CH2 3.67Å; L398-W439 HydrophobicContact CD2-CZ2 3.8Å; L398-W439 HydrophobicContact CD2-CZ3 3.6Å; L398-W439 HydrophobicContact CG-CZ2 4.41Å; Q399-W439 HydrophobicContact CG-CB 4.2Å; Q399-W439 PolarHBondContact NE2-O 3.4Å; Q399-W439 VanDerWaalsContact NE2-O 3.14Å; I414-W439 HydrophobicContact CB-CH2 4.27Å; I414-W439 HydrophobicContact CG2-CH2 4.01Å; A416-W439 HydrophobicContact CB-CH2 4.09Å; A416-W439 HydrophobicContact CB-CZ3 3.71Å; E430-W439 HydrophobicContact CB-CE3 3.83Å; E430-W439 HydrophobicContact CB-CZ3 4.37Å; A431-W439 CarbonylContact O-C 3.57Å; A431-W439 WeakPolarHBondContact O-CA 3.23Å; Y432-W439 AromaticContact CD2-CD1 3.62Å; Y432-W439 AromaticContact CD2-CD2 3.98Å; Y432-W439 HydrophobicContact CD2-CD2 3.98Å; Y432-W439 AromaticContact CD2-CE2 3.7Å; Y432-W439 AromaticContact CD2-CG 3.95Å; Y432-W439 HydrophobicContact CD2-CG 3.95Å; Y432-W439 HydrophobicContact CD2-CZ2 4.31Å; Y432-W439 AromaticContact CD2-NE1 3.46Å; Y432-W439 HydrophobicContact CG-CD2 4.17Å; Y432-W439 AromaticContact CG-CE2 3.83Å; Y432-W439 HydrophobicContact CG-CH2 4.48Å; Y432-W439 HydrophobicContact CG-CZ2 4.01Å
440	Q	96.6	Very high	93.9	Very high	70 Å²	70	46.6 Å²	46.6	33%	0.327	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.3	175.2	-61.6	-175.5	14.2	0	0	110.4	E430 A431 W618	E430-Q440 CarbonylContact C-O 3.58Å; E430-Q440 VanDerWaalsContact CA-O 3.24Å; E430-Q440 WeakPolarHBondContact CA-O 3.11Å; A431-Q440 PolarHBondContact N-O 3.44Å; A431-Q440 PolarHBondContact O-N 2.82Å; Q440-W618 HydrophobicContact CB-CH2 4.21Å; Q440-W618 HydrophobicContact CB-CZ2 4.2Å; Q440-W618 HydrophobicContact CG-CZ2 4.37Å; Q440-W618 VanDerWaalsContact OE1-CE2 3.28Å; Q440-W618 VanDerWaalsContact OE1-CE3 3.23Å
441	Y	98.4	Very high	93.8	Very high	117 Å²	117	47.4 Å²	47.4	46%	0.459	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136	170.8	-69.4	-72.2	0	0	0	110.2	Q399 S400 E430	Q399-Y441 HydrophobicContact CB-CE1 4.36Å; Q399-Y441 HydrophobicContact CB-CE2 3.8Å; Q399-Y441 VanDerWaalsContact CB-OH 3.29Å; Q399-Y441 WeakPolarHBondContact CB-OH 3.28Å; Q399-Y441 HydrophobicContact CG-CE2 4.09Å; S400-Y441 PolarHBondContact OG-OH 2.95Å; E430-Y441 HydrophobicContact CG-CD1 3.41Å; E430-Y441 VanDerWaalsContact CG-CD1 3.41Å; E430-Y441 HydrophobicContact CG-CE1 3.52Å; E430-Y441 HydrophobicContact CG-CG 4.21Å
442	I	98	Very high	93.8	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.051	24%	0.242	C	C	.	.			trans	-101.9	-179.5	167.1	59.8	161.6	0	0	0	109.4	Y415 A429 A431 Y481 W488 W618	Y415-I442 HydrophobicContact CD1-CD1 3.95Å; Y415-I442 HydrophobicContact CE1-CD1 4.28Å; A429-I442 HydrophobicContact CB-CD1 3.75Å; A429-I442 HydrophobicContact CB-CG1 3.65Å; A429-I442 WeakPolarHBondContact O-CG1 2.86Å; A429-I442 PolarHBondContact O-N 3.3Å; A431-I442 HydrophobicContact CB-CG2 3.75Å; I442-Y481 HydrophobicContact CB-CE2 4.32Å; I442-Y481 HydrophobicContact CD1-CD1 4.16Å; I442-Y481 HydrophobicContact CD1-CD2 4.12Å; I442-Y481 HydrophobicContact CD1-CE1 3.82Å; I442-Y481 HydrophobicContact CD1-CE2 3.78Å; I442-Y481 HydrophobicContact CD1-CG 4.3Å; I442-W488 HydrophobicContact CD1-CZ2 4.15Å; I442-W618 HydrophobicContact CG2-CH2 4.37Å
443	A	98	Very high	93.9	Very high	25 Å²	25	47.7 Å²	47.7	21%	0.207	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-51.9	146.2	175.6	0	0	0	0	0	112.4	Y481 N486 W488	A443-Y481 HydrophobicContact CB-CE2 4.4Å; A443-N486 WeakPolarHBondContact CB-O 3.17Å; A443-N486 PolarHBondContact N-OD1 2.91Å; A443-W488 VanDerWaalsContact O-CD1 3.3Å; A443-W488 PolarHBondContact O-NE1 3.16Å
444	Q	98.4	Very high	94.6	Very high	120 Å²	120	48.1 Å²	48.1	56%	0.561	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-79.6	147.3	178.9	-59.4	-175.7	-7.8	0	0	110.1	I427 T428 W488	I427-Q444 HydrophobicContact CG1-CB 4.44Å; T428-Q444 HydrophobicContact CG2-CG 4.16Å; Q444-W488 VanDerWaalsContact C-CD1 3.48Å
445	M	98.4	Very high	95.3	Very high	6 Å²	6	47 Å²	47	3%	0.03	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-66.7	169	168.1	-65.2	175.4	-66.7	0	0	109.9	V417 I427 R449 A463 W488	V417-M445 HydrophobicContact CG1-CE 3.74Å; V417-M445 HydrophobicContact CG1-SD 3.46Å; V417-M445 WeakPolarHBondContact CG1-SD 3.49Å; I427-M445 WeakPolarHBondContact CD1-O 3.14Å; I427-M445 HydrophobicContact CG1-CB 4.35Å; I427-M445 WeakPolarHBondContact CG1-O 3.49Å; I427-M445 PolarHBondContact O-N 3.25Å; M445-R449 HydrophobicContact CE-CB 4.27Å; M445-R449 HydrophobicContact CE-CG 4.3Å; M445-R449 HydrophobicContact SD-CG 4.26Å; M445-A463 HydrophobicContact SD-CB 3.83Å; M445-W488 HydrophobicContact CG-CD2 3.69Å; M445-W488 HydrophobicContact CG-CE3 4.04Å; M445-W488 HydrophobicContact CG-CG 4.1Å; M445-W488 HydrophobicContact CG-CH2 4.35Å; M445-W488 HydrophobicContact CG-CZ2 4.03Å; M445-W488 HydrophobicContact CG-CZ3 4.36Å; M445-W488 HydrophobicContact SD-CH2 4.46Å
446	S	96.5	Very high	95.9	Very high	60 Å²	60	40.3 Å²	40.3	42%	0.42	22%	0.218	S	C	.	.	S	Bend	trans	-87.9	-12.7	175	62.7	0	0	0	0	113.4	E479 R490	S446-E479 WeakPolarHBondContact CB-OE2 3.29Å; S446-E479 PolarHBondContact N-OE2 2.86Å; S446-E479 PolarHBondContact OG-OE1 2.86Å; S446-E479 PolarHBondContact OG-OE2 2.96Å; S446-R490 PolarHBondContact OG-NE 3.1Å; S446-R490 PolarHBondContact OG-NH1 3.17Å; S446-R490 PolarHBondContact OG-NH2 3.33Å
447	T	95.3	Very high	96.5	Very high	25 Å²	25	37.3 Å²	37.3	15%	0.153	20%	0.198	C	C	.	.	S	Bend	trans	-135.8	144.1	176.5	-57.4	0	0	0	0	110.4	D468 L475 R490	T447-D468 HydrophobicContact CG2-CB 4.08Å; T447-L475 HydrophobicContact CG2-CD1 4.07Å; T447-L475 HydrophobicContact CG2-CD2 4.32Å; T447-R490 PolarHBondContact OG1-NH2 3.26Å
448	K	97.2	Very high	96.5	Very high	80 Å²	80	40 Å²	40	35%	0.348	20%	0.202	S	C	.	.			trans	-65.8	137.5	171	-72.2	174	168.8	-170.2	0	109.8	T424 G425 I427 D468	T424-K448 PolarHBondContact OG1-NZ 3.37Å; G425-K448 WeakPolarHBondContact O-CD 3.3Å; G425-K448 VanDerWaalsContact O-CE 3.29Å; G425-K448 WeakPolarHBondContact O-CE 3.17Å; G425-K448 WeakPolarHBondContact O-CG 3.46Å; I427-K448 HydrophobicContact CB-CG 3.9Å; K448-D468 WeakPolarHBondContact O-CA 3.33Å
449	R	97.7	Very high	96.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.			trans	-137.6	105.6	-179.5	-56.6	-179.2	179	-93.3	-3.9	111.1	G418 G419 L426 M445 V452 G465 L475 T477 E479	G418-R449 CarbonylContact C-O 3.36Å; G418-R449 WeakPolarHBondContact CA-O 3.36Å; G419-R449 PolarHBondContact N-O 3.07Å; L426-R449 PolarHBondContact O-N 2.86Å; L426-R449 VanDerWaalsContact O-N 3.09Å; M445-R449 HydrophobicContact CE-CB 4.27Å; M445-R449 HydrophobicContact CE-CG 4.3Å; M445-R449 HydrophobicContact SD-CG 4.26Å; R449-V452 HydrophobicContact CB-CB 3.83Å; R449-V452 HydrophobicContact CB-CG1 4.44Å; R449-V452 HydrophobicContact CB-CG2 3.9Å; R449-V452 HydrophobicContact CG-CG2 4.5Å; R449-G465 PolarHBondContact NH1-O 3.2Å; R449-L475 HydrophobicContact CG-CD1 3.96Å; R449-T477 PolarHBondContact NH1-O 3.16Å; R449-T477 PolarHBondContact NH1-OG1 2.7Å; R449-T477 PolarHBondContact NH2-OG1 3.26Å; R449-E479 IonicContact CZ-OE1 3.29Å; R449-E479 IonicContact NE-OE1 2.76Å; R449-E479 PolarHBondContact NE-OE1 3.04Å; R449-E479 IonicContact NH2-OE1 2.74Å; R449-E479 PolarHBondContact NH2-OE1 3.05Å
450	S	97.3	Very high	96.2	Very high	12 Å²	12	39.5 Å²	39.5	8%	0.084	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-99.7	153.1	164.7	64.5	0	0	0	0	110.3	V452 G466 Y467	S450-V452 PolarHBondContact O-N 3.11Å; S450-G466 CarbonylContact O-C 3.52Å; S450-G466 WeakPolarHBondContact O-CA 3.39Å; S450-Y467 PolarHBondContact N-O 2.9Å; S450-Y467 PolarHBondContact O-N 3.35Å; S450-Y467 PolarHBondContact OG-O 3.46Å
451	S	97.4	Very high	96.2	Very high	17 Å²	17	36.2 Å²	36.2	12%	0.119	20%	0.196	C	C	.	.	S	Bend	trans	53.8	39.9	-172.6	-56	0	0	0	0	112.7	T404 G466 S499 G500	T404-S451 VanDerWaalsContact O-CA 3.27Å; T404-S451 WeakPolarHBondContact O-CA 3.4Å; T404-S451 PolarHBondContact O-N 2.97Å; T404-S451 PolarHBondContact OG1-N 2.95Å; S451-G466 WeakPolarHBondContact O-CA 3.05Å; S451-S499 WeakPolarHBondContact CB-OG 3.36Å; S451-G500 PolarHBondContact O-N 3.06Å
452	V	98.4	Very high	96.2	Very high	8 Å²	8	30.9 Å²	30.9	5%	0.048	18%	0.175	C	C	.	.			trans	-83.7	138.3	-176.5	63.4	0	0	0	0	111	T404 G406 V417 R449 S450 V454 A463	T404-V452 PolarHBondContact O-N 2.92Å; G406-V452 VanDerWaalsContact N-CG1 3.32Å; V417-V452 WeakPolarHBondContact O-CG1 3.27Å; R449-V452 HydrophobicContact CB-CB 3.83Å; R449-V452 HydrophobicContact CB-CG1 4.44Å; R449-V452 HydrophobicContact CB-CG2 3.9Å; R449-V452 HydrophobicContact CG-CG2 4.5Å; S450-V452 PolarHBondContact O-N 3.11Å; V452-V454 HydrophobicContact CG1-CG2 4.33Å; V452-V454 HydrophobicContact CG2-CG2 4.29Å; V452-A463 HydrophobicContact CG2-CB 4.16Å
453	G	98.3	Very high	96.3	Very high	5 Å²	5	30.4 Å²	30.4	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	139.6	168.8	0	0	0	0	0	110.6	V464	G453-V464 PolarHBondContact N-O 2.82Å; G453-V464 PolarHBondContact O-N 2.66Å
454	V	98.6	Very high	96.3	Very high	14 Å²	14	29.2 Å²	29.2	9%	0.085	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133	-178	175	0	0	0	0	110.4	A408 V417 V452 L461 Y462	A408-V454 HydrophobicContact CB-CG1 3.87Å; V417-V454 HydrophobicContact CB-CG2 3.92Å; V417-V454 HydrophobicContact CG1-CG2 4.37Å; V417-V454 HydrophobicContact CG2-CG1 4.36Å; V417-V454 HydrophobicContact CG2-CG2 4.19Å; V452-V454 HydrophobicContact CG1-CG2 4.33Å; V452-V454 HydrophobicContact CG2-CG2 4.29Å; V454-L461 HydrophobicContact CG1-CD1 3.34Å; V454-L461 HydrophobicContact CG1-CD2 4.44Å; V454-L461 HydrophobicContact CG1-CG 3.88Å; V454-Y462 VanDerWaalsContact CA-O 3.3Å; V454-Y462 WeakPolarHBondContact CA-O 3.46Å
455	A	97.5	Very high	96.3	Very high	9 Å²	9	23.5 Å²	23.5	7%	0.074	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	168.5	171.3	0	0	0	0	0	110.9	Y462 V503 V505 L510	A455-Y462 PolarHBondContact N-O 3.11Å; A455-Y462 PolarHBondContact O-N 2.83Å; A455-V503 HydrophobicContact CB-CB 4.5Å; A455-V503 HydrophobicContact CB-CG1 3.72Å; A455-V505 HydrophobicContact CB-CG2 4.15Å; A455-L510 HydrophobicContact CB-CD1 3.74Å
456	V	94.9	Very high	96.3	Very high	39 Å²	39	23.2 Å²	23.2	24%	0.236	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.3	-177	174.1	0	0	0	0	109.2	A408 E409 M410 F460 L461 V505	A408-V456 HydrophobicContact CB-CG2 3.75Å; E409-V456 WeakPolarHBondContact O-CG2 3.4Å; M410-V456 HydrophobicContact CB-CG1 4.1Å; M410-V456 HydrophobicContact CB-CG2 3.88Å; M410-V456 HydrophobicContact CG-CG1 3.84Å; M410-V456 HydrophobicContact CG-CG2 4.41Å; M410-V456 HydrophobicContact SD-CG1 3.77Å; M410-V456 HydrophobicContact SD-CG2 4.26Å; V456-F460 CarbonylContact C-O 3.57Å; V456-F460 VanDerWaalsContact CA-O 3.28Å; V456-F460 WeakPolarHBondContact CA-O 3.44Å; V456-L461 HydrophobicContact CG2-CD1 3.51Å; V456-V505 WeakPolarHBondContact O-CG2 3.33Å
457	L	92.9	Very high	96.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.7	178.2	175	62.7	0	0	0	108.7	G459 F460 Y462 V505 G508 L510 F528 D530	L457-G459 PolarHBondContact O-N 2.84Å; L457-G459 VanDerWaalsContact O-N 3.13Å; L457-F460 PolarHBondContact N-O 3.07Å; L457-F460 PolarHBondContact O-N 3.26Å; L457-Y462 HydrophobicContact CB-CD2 4.03Å; L457-Y462 HydrophobicContact CB-CE2 3.77Å; L457-Y462 HydrophobicContact CD2-CE2 4.35Å; L457-Y462 HydrophobicContact CG-CE2 4.44Å; L457-V505 HydrophobicContact CB-CG2 3.92Å; L457-V505 HydrophobicContact CD1-CG1 3.71Å; L457-V505 HydrophobicContact CD1-CG2 4.3Å; L457-G508 WeakPolarHBondContact CD1-O 3.47Å; L457-L510 HydrophobicContact CD2-CB 4.19Å; L457-F528 HydrophobicContact CD2-CD1 4.39Å; L457-D530 HydrophobicContact CD2-CB 4.07Å
458	K	89	Confident	96.1	Very high	113 Å²	113	23.9 Å²	23.9	49%	0.491	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	40.9	175.7	-63.1	171.6	-177.8	169	0	113.9	F460 D530	K458-F460 VanDerWaalsContact O-CD2 3.27Å; K458-F460 WeakPolarHBondContact O-CD2 3.47Å; K458-F460 WeakPolarHBondContact O-CE2 3.39Å; K458-D530 VanDerWaalsContact CD-OD2 3.29Å; K458-D530 WeakPolarHBondContact CD-OD2 3.23Å; K458-D530 WeakPolarHBondContact CE-OD1 3.44Å; K458-D530 VanDerWaalsContact NZ-CG 3.29Å; K458-D530 IonicContact NZ-OD1 3.76Å; K458-D530 PolarHBondContact NZ-OD1 2.83Å; K458-D530 IonicContact NZ-OD2 3.92Å; K458-D530 PolarHBondContact NZ-OD2 3.09Å; K458-D530 VanDerWaalsContact NZ-OD2 3.1Å
459	G	87.4	Confident	95.5	Very high	42 Å²	42	21.7 Å²	21.7	43%	0.433	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	12.3	178.1	0	0	0	0	0	115.4	L457	L457-G459 PolarHBondContact O-N 2.84Å; L457-G459 VanDerWaalsContact O-N 3.13Å
460	F	93.8	Very high	94.7	Very high	57 Å²	57	24.9 Å²	24.9	25%	0.25	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.5	173.7	-58.9	-86.5	0	0	0	110.8	V456 L457 K458 Y462 R480 E482	V456-F460 CarbonylContact C-O 3.57Å; V456-F460 VanDerWaalsContact CA-O 3.28Å; V456-F460 WeakPolarHBondContact CA-O 3.44Å; L457-F460 PolarHBondContact N-O 3.07Å; L457-F460 PolarHBondContact O-N 3.26Å; K458-F460 VanDerWaalsContact O-CD2 3.27Å; K458-F460 WeakPolarHBondContact O-CD2 3.47Å; K458-F460 WeakPolarHBondContact O-CE2 3.39Å; F460-Y462 HydrophobicContact CB-CD2 4.44Å; F460-Y462 HydrophobicContact CB-CE2 3.84Å; F460-R480 HydrophobicContact CB-CG 3.67Å; F460-R480 HydrophobicContact CD1-CG 4.26Å; F460-R480 HydrophobicContact CG-CG 4.19Å; F460-E482 HydrophobicContact CD1-CB 4.18Å; F460-E482 HydrophobicContact CD1-CG 4.34Å; F460-E482 HydrophobicContact CE1-CB 4.09Å; F460-E482 HydrophobicContact CE1-CG 3.81Å
461	L	97.5	Very high	94	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.3	178.7	-176	78.1	0	0	0	109.5	A408 M410 Y415 V417 V454 V456 R480 Y481 W488	A408-L461 HydrophobicContact CB-CD1 3.71Å; M410-L461 HydrophobicContact CE-CB 4.01Å; Y415-L461 HydrophobicContact CD1-CD2 4.13Å; Y415-L461 HydrophobicContact CG-CD2 3.98Å; V417-L461 HydrophobicContact CG2-CD2 3.62Å; V454-L461 HydrophobicContact CG1-CD1 3.34Å; V454-L461 HydrophobicContact CG1-CD2 4.44Å; V454-L461 HydrophobicContact CG1-CG 3.88Å; V456-L461 HydrophobicContact CG2-CD1 3.51Å; L461-R480 CarbonylContact O-C 3.56Å; L461-R480 WeakPolarHBondContact O-CA 3.12Å; L461-Y481 HydrophobicContact CB-CD1 4.42Å; L461-Y481 PolarHBondContact N-O 2.76Å; L461-Y481 PolarHBondContact O-N 2.89Å; L461-W488 HydrophobicContact CD2-CH2 3.85Å; L461-W488 HydrophobicContact CD2-CZ2 4.39Å; L461-W488 HydrophobicContact CG-CH2 4.39Å
462	Y	98.6	Very high	93.4	Very high	6 Å²	6	32.9 Å²	32.9	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.8	-179.8	-74	-104.1	0	0	0	110.1	V454 A455 L457 F460 V478 E479 R480 V491 L510 F528	V454-Y462 VanDerWaalsContact CA-O 3.3Å; V454-Y462 WeakPolarHBondContact CA-O 3.46Å; A455-Y462 PolarHBondContact N-O 3.11Å; A455-Y462 PolarHBondContact O-N 2.83Å; L457-Y462 HydrophobicContact CB-CD2 4.03Å; L457-Y462 HydrophobicContact CB-CE2 3.77Å; L457-Y462 HydrophobicContact CD2-CE2 4.35Å; L457-Y462 HydrophobicContact CG-CE2 4.44Å; F460-Y462 HydrophobicContact CB-CD2 4.44Å; F460-Y462 HydrophobicContact CB-CE2 3.84Å; Y462-V478 HydrophobicContact CD1-CG1 4.01Å; Y462-E479 CarbonylContact C-O 3.52Å; Y462-E479 WeakPolarHBondContact CA-O 3.46Å; Y462-R480 HydrophobicContact CD1-CB 4.18Å; Y462-R480 HydrophobicContact CD1-CG 4.39Å; Y462-R480 HydrophobicContact CD2-CG 4.31Å; Y462-R480 HydrophobicContact CE1-CB 3.95Å; Y462-R480 HydrophobicContact CE1-CG 3.96Å; Y462-R480 HydrophobicContact CE2-CG 3.86Å; Y462-R480 WeakPolarHBondContact OH-CD 3.08Å; Y462-V491 HydrophobicContact CD1-CG2 4.48Å; Y462-V491 HydrophobicContact CE1-CG1 4.27Å; Y462-V491 HydrophobicContact CE1-CG2 4.35Å; Y462-L510 HydrophobicContact CD1-CD2 4.19Å; Y462-L510 HydrophobicContact CG-CD2 4.18Å; Y462-F528 HydrophobicContact CE1-CD1 4.23Å; Y462-F528 AromaticContact CE1-CE1 3.62Å; Y462-F528 HydrophobicContact CE1-CE1 3.62Å; Y462-F528 HydrophobicContact CE1-CZ 4.37Å
463	A	98.7	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	108.9	171.5	0	0	0	0	0	109.4	V417 M445 V452 V478 E479 W488	V417-A463 HydrophobicContact CG1-CB 4.08Å; M445-A463 HydrophobicContact SD-CB 3.83Å; V452-A463 HydrophobicContact CG2-CB 4.16Å; A463-V478 WeakPolarHBondContact O-CA 3.33Å; A463-E479 PolarHBondContact N-O 3.22Å; A463-E479 PolarHBondContact O-N 2.77Å; A463-W488 HydrophobicContact CB-CE3 4.48Å; A463-W488 HydrophobicContact CB-CH2 4.08Å; A463-W488 HydrophobicContact CB-CZ3 3.63Å
464	V	98.7	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.5	-164.9	-177.5	0	0	0	0	110.5	G453 V478 M494 V503 L510 V512	G453-V464 PolarHBondContact N-O 2.82Å; G453-V464 PolarHBondContact O-N 2.66Å; V464-V478 HydrophobicContact CB-CG2 4.43Å; V464-V478 HydrophobicContact CG1-CG2 4.04Å; V464-V478 HydrophobicContact CG2-CG1 3.92Å; V464-V478 HydrophobicContact CG2-CG2 4.49Å; V464-M494 HydrophobicContact CG1-CE 3.94Å; V464-M494 HydrophobicContact CG1-CG 4.46Å; V464-M494 HydrophobicContact CG1-SD 3.33Å; V464-M494 WeakPolarHBondContact CG1-SD 3.25Å; V464-V503 HydrophobicContact CB-CG2 4.06Å; V464-V503 HydrophobicContact CG1-CG2 4.22Å; V464-V503 HydrophobicContact CG2-CG1 4.01Å; V464-V503 HydrophobicContact CG2-CG2 4.43Å; V464-L510 HydrophobicContact CG2-CD2 4Å; V464-V512 HydrophobicContact CG1-CG1 4.16Å; V464-V512 HydrophobicContact CG1-CG2 3.77Å
465	G	98	Very high	92.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.			trans	60.1	-140.7	175.6	0	0	0	0	0	113.4	R449 L475 T477	R449-G465 PolarHBondContact NH1-O 3.2Å; G465-L475 WeakPolarHBondContact CA-O 3.26Å; G465-T477 PolarHBondContact N-O 2.83Å
466	G	97.8	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.228	C	C	.	.			trans	101	-159.2	-174.8	0	0	0	0	0	112.9	S450 S451 C474 L475 R498	S450-G466 CarbonylContact O-C 3.52Å; S450-G466 WeakPolarHBondContact O-CA 3.39Å; S451-G466 WeakPolarHBondContact O-CA 3.05Å; G466-C474 CarbonylContact O-C 3.55Å; G466-C474 WeakPolarHBondContact O-CA 3.23Å; G466-L475 PolarHBondContact O-N 3.49Å; G466-R498 PolarHBondContact N-O 2.93Å
467	Y	96.6	Very high	92.9	Very high	71 Å²	71	38 Å²	38	28%	0.278	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-135.9	128.8	-177.8	178.8	-101.2	0	0	0	109.7	S450 H472 Q473	S450-Y467 PolarHBondContact N-O 2.9Å; S450-Y467 PolarHBondContact O-N 3.35Å; S450-Y467 PolarHBondContact OG-O 3.46Å; Y467-H472 VanDerWaalsContact CE2-C 3.43Å; Y467-H472 WeakPolarHBondContact OH-CA 3.07Å; Y467-H472 PolarHBondContact OH-ND1 2.87Å; Y467-H472 VanDerWaalsContact OH-ND1 3.16Å; Y467-Q473 VanDerWaalsContact CD2-O 3.23Å; Y467-Q473 WeakPolarHBondContact CD2-O 3.47Å
468	D	92.3	Very high	93.1	Very high	27 Å²	27	38 Å²	38	14%	0.144	22%	0.222	C	C	.	.			trans	-85.5	-22.1	-172	71	-4.9	0	0	0	114.4	T447 K448 G470 S471 L475	T447-D468 HydrophobicContact CG2-CB 4.08Å; K448-D468 WeakPolarHBondContact O-CA 3.33Å; D468-G470 PolarHBondContact O-N 2.72Å; D468-G470 PolarHBondContact OD1-N 2.8Å; D468-G470 VanDerWaalsContact OD1-N 3.13Å; D468-S471 PolarHBondContact OD1-N 2.82Å; D468-S471 VanDerWaalsContact OD1-N 3.1Å; D468-S471 PolarHBondContact OD1-OG 2.96Å; D468-S471 VanDerWaalsContact OD1-OG 3.09Å; D468-S471 VanDerWaalsContact OD2-CB 3.3Å; D468-S471 WeakPolarHBondContact OD2-CB 3.45Å; D468-S471 PolarHBondContact OD2-N 3.36Å; D468-S471 PolarHBondContact OD2-OG 2.89Å; D468-L475 HydrophobicContact CB-CD1 4.29Å; D468-L475 HydrophobicContact CB-CD2 4.2Å; D468-L475 HydrophobicContact CB-CG 4.48Å
469	G	84.9	Confident	93.6	Very high	35 Å²	35	32.6 Å²	32.6	36%	0.361	20%	0.199	S	C	.	.	S	Bend	trans	69.9	-19.3	-172.4	0	0	0	0	0	115.7
470	G	81.1	Confident	94.1	Very high	66 Å²	66	33.7 Å²	33.7	68%	0.68	19%	0.19	S	C	*	.	S	Bend	trans	-86.8	-45.7	-177.1	0	0	0	0	0	113.5	D468 H472	D468-G470 PolarHBondContact O-N 2.72Å; D468-G470 PolarHBondContact OD1-N 2.8Å; D468-G470 VanDerWaalsContact OD1-N 3.13Å; G470-H472 VanDerWaalsContact C-N 3.35Å
471	S	82.4	Confident	94.3	Very high	62 Å²	62	31.3 Å²	31.3	43%	0.434	18%	0.179	S	C	.	.	S	Bend	trans	-89.8	-5.5	176	66.8	0	0	0	0	112.9	D468 Q473	D468-S471 PolarHBondContact OD1-N 2.82Å; D468-S471 VanDerWaalsContact OD1-N 3.1Å; D468-S471 PolarHBondContact OD1-OG 2.96Å; D468-S471 VanDerWaalsContact OD1-OG 3.09Å; D468-S471 VanDerWaalsContact OD2-CB 3.3Å; D468-S471 WeakPolarHBondContact OD2-CB 3.45Å; D468-S471 PolarHBondContact OD2-N 3.36Å; D468-S471 PolarHBondContact OD2-OG 2.89Å; S471-Q473 PolarHBondContact O-N 3.06Å; S471-Q473 WeakPolarHBondContact OG-CB 3.41Å; S471-Q473 PolarHBondContact OG-N 2.72Å
472	H	83.3	Confident	94.1	Very high	135 Å²	135	33.7 Å²	33.7	63%	0.625	19%	0.19	S	C	*	.	S	Bend	trans	56.2	26.2	-169.5	-59	-73.5	0	0	0	114	Y467 G470	Y467-H472 VanDerWaalsContact CE2-C 3.43Å; Y467-H472 WeakPolarHBondContact OH-CA 3.07Å; Y467-H472 PolarHBondContact OH-ND1 2.87Å; Y467-H472 VanDerWaalsContact OH-ND1 3.16Å; G470-H472 VanDerWaalsContact C-N 3.35Å
473	Q	89	Confident	93.6	Very high	94 Å²	94	34.5 Å²	34.5	44%	0.439	20%	0.196	S	C	.	.			trans	-112.6	149.8	179	-61.1	-60.7	-45.9	0	0	112	Y467 S471	Y467-Q473 VanDerWaalsContact CD2-O 3.23Å; Y467-Q473 WeakPolarHBondContact CD2-O 3.47Å; S471-Q473 PolarHBondContact O-N 3.06Å; S471-Q473 WeakPolarHBondContact OG-CB 3.41Å; S471-Q473 PolarHBondContact OG-N 2.72Å
474	C	95.8	Very high	93.1	Very high	7 Å²	7	43 Å²	43	5%	0.047	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-66.9	153.4	161.5	-59.8	0	0	0	0	109.4	G466 R497 S499 H516 D517	G466-C474 CarbonylContact O-C 3.55Å; G466-C474 WeakPolarHBondContact O-CA 3.23Å; C474-R497 HydrophobicContact CB-CB 3.96Å; C474-R497 WeakPolarHBondContact O-CD 3.3Å; C474-R497 WeakPolarHBondContact O-CG 3.5Å; C474-S499 VanDerWaalsContact SG-CB 3.59Å; C474-H516 PolarHBondContact SG-O 3.49Å; C474-D517 PolarHBondContact SG-O 3.13Å; C474-D517 VanDerWaalsContact SG-O 3.36Å
475	L	97.4	Very high	92.8	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.079	26%	0.259	C	S	.	.			trans	-100.8	141.2	-175.7	-63.9	171	0	0	0	111	T447 R449 G465 G466 D468 R497 R498	T447-L475 HydrophobicContact CG2-CD1 4.07Å; T447-L475 HydrophobicContact CG2-CD2 4.32Å; R449-L475 HydrophobicContact CG-CD1 3.96Å; G465-L475 WeakPolarHBondContact CA-O 3.26Å; G466-L475 PolarHBondContact O-N 3.49Å; D468-L475 HydrophobicContact CB-CD1 4.29Å; D468-L475 HydrophobicContact CB-CD2 4.2Å; D468-L475 HydrophobicContact CB-CG 4.48Å; L475-R497 WeakPolarHBondContact O-CA 3.22Å; L475-R498 PolarHBondContact O-N 2.78Å
476	D	97.1	Very high	92.7	Very high	47 Å²	47	52.8 Å²	52.8	25%	0.251	28%	0.278	S	S	.	.			trans	-102.3	-15.6	164	56.9	4.2	0	0	0	112	M494 R497	D476-M494 HydrophobicContact CB-CB 4.34Å; D476-M494 WeakPolarHBondContact O-CB 3.4Å; D476-M494 PolarHBondContact O-N 3.3Å; D476-R497 HydrophobicContact CB-CG 3.92Å
477	T	97.8	Very high	92.7	Very high	21 Å²	21	55 Å²	55	13%	0.129	29%	0.293	C	S	.	.			trans	-66.3	148.5	178.7	65.3	0	0	0	0	112.1	R449 G465	R449-T477 PolarHBondContact NH1-O 3.16Å; R449-T477 PolarHBondContact NH1-OG1 2.7Å; R449-T477 PolarHBondContact NH2-OG1 3.26Å; G465-T477 PolarHBondContact N-O 2.83Å
478	V	98.6	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.8	175.8	-178.2	0	0	0	0	109.4	Y462 A463 V464 V491 M494 W535	Y462-V478 HydrophobicContact CD1-CG1 4.01Å; A463-V478 WeakPolarHBondContact O-CA 3.33Å; V464-V478 HydrophobicContact CB-CG2 4.43Å; V464-V478 HydrophobicContact CG1-CG2 4.04Å; V464-V478 HydrophobicContact CG2-CG1 3.92Å; V464-V478 HydrophobicContact CG2-CG2 4.49Å; V478-V491 HydrophobicContact CB-CG2 3.61Å; V478-V491 HydrophobicContact CG1-CG2 3.62Å; V478-V491 PolarHBondContact O-N 2.88Å; V478-M494 HydrophobicContact CG2-CE 4.44Å; V478-M494 HydrophobicContact CG2-CG 3.79Å; V478-M494 HydrophobicContact CG2-SD 4.31Å; V478-W535 HydrophobicContact CG2-CZ2 3.84Å
479	E	98.6	Very high	93	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.2	177.4	-72.7	174.4	-99.4	0	0	110.3	S446 R449 Y462 A463 W488 T489 R490	S446-E479 WeakPolarHBondContact CB-OE2 3.29Å; S446-E479 PolarHBondContact N-OE2 2.86Å; S446-E479 PolarHBondContact OG-OE1 2.86Å; S446-E479 PolarHBondContact OG-OE2 2.96Å; R449-E479 IonicContact CZ-OE1 3.29Å; R449-E479 IonicContact NE-OE1 2.76Å; R449-E479 PolarHBondContact NE-OE1 3.04Å; R449-E479 IonicContact NH2-OE1 2.74Å; R449-E479 PolarHBondContact NH2-OE1 3.05Å; Y462-E479 CarbonylContact C-O 3.52Å; Y462-E479 WeakPolarHBondContact CA-O 3.46Å; A463-E479 PolarHBondContact N-O 3.22Å; A463-E479 PolarHBondContact O-N 2.77Å; E479-W488 HydrophobicContact CB-CE3 3.85Å; E479-T489 CarbonylContact C-O 3.58Å; E479-T489 WeakPolarHBondContact CA-O 3.31Å; E479-R490 HydrophobicContact CG-CG 3.78Å
480	R	98.3	Very high	93.6	Very high	65 Å²	65	59.4 Å²	59.4	25%	0.245	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.9	177	-175.6	-165.6	76.2	-169.8	5.6	109.5	F460 L461 Y462 E482 W488 T489 V491	F460-R480 HydrophobicContact CB-CG 3.67Å; F460-R480 HydrophobicContact CD1-CG 4.26Å; F460-R480 HydrophobicContact CG-CG 4.19Å; L461-R480 CarbonylContact O-C 3.56Å; L461-R480 WeakPolarHBondContact O-CA 3.12Å; Y462-R480 HydrophobicContact CD1-CB 4.18Å; Y462-R480 HydrophobicContact CD1-CG 4.39Å; Y462-R480 HydrophobicContact CD2-CG 4.31Å; Y462-R480 HydrophobicContact CE1-CB 3.95Å; Y462-R480 HydrophobicContact CE1-CG 3.96Å; Y462-R480 HydrophobicContact CE2-CG 3.86Å; Y462-R480 WeakPolarHBondContact OH-CD 3.08Å; R480-E482 IonicContact NH2-OE2 3.21Å; R480-W488 CarbonylContact O-C 3.59Å; R480-W488 WeakPolarHBondContact O-CA 3.39Å; R480-T489 PolarHBondContact N-O 2.74Å; R480-T489 PolarHBondContact O-N 3.06Å; R480-V491 HydrophobicContact CB-CG1 3.87Å
481	Y	98.4	Very high	94.4	Very high	6 Å²	6	57.3 Å²	57.3	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.2	171.3	177.5	-112.1	0	0	0	110.9	M410 Y415 I442 A443 L461 P483 N486 C487 W488	M410-Y481 HydrophobicContact CE-CD1 4.47Å; Y415-Y481 HydrophobicContact CD1-CE1 4.44Å; Y415-Y481 HydrophobicContact CE1-CD1 4.44Å; Y415-Y481 AromaticContact CE1-CE1 3.82Å; Y415-Y481 HydrophobicContact CE1-CE1 3.82Å; I442-Y481 HydrophobicContact CB-CE2 4.32Å; I442-Y481 HydrophobicContact CD1-CD1 4.16Å; I442-Y481 HydrophobicContact CD1-CD2 4.12Å; I442-Y481 HydrophobicContact CD1-CE1 3.82Å; I442-Y481 HydrophobicContact CD1-CE2 3.78Å; I442-Y481 HydrophobicContact CD1-CG 4.3Å; A443-Y481 HydrophobicContact CB-CE2 4.4Å; L461-Y481 HydrophobicContact CB-CD1 4.42Å; L461-Y481 PolarHBondContact N-O 2.76Å; L461-Y481 PolarHBondContact O-N 2.89Å; Y481-P483 HydrophobicContact CD1-CG 3.97Å; Y481-P483 HydrophobicContact CE1-CB 4.03Å; Y481-P483 HydrophobicContact CE1-CG 3.87Å; Y481-P483 WeakPolarHBondContact O-CD 3.32Å; Y481-N486 WeakPolarHBondContact CE2-OD1 3.33Å; Y481-N486 PolarHBondContact OH-OD1 2.83Å; Y481-C487 WeakPolarHBondContact CA-O 3.48Å; Y481-C487 WeakPolarHBondContact CD2-O 3.12Å; Y481-W488 AromaticContact CD2-CD1 3.89Å; Y481-W488 HydrophobicContact CD2-CD2 4.06Å; Y481-W488 AromaticContact CD2-CE2 3.73Å; Y481-W488 HydrophobicContact CD2-CG 4.18Å; Y481-W488 HydrophobicContact CD2-CZ2 4.23Å; Y481-W488 AromaticContact CD2-NE1 3.6Å; Y481-W488 HydrophobicContact CG-CD2 4.29Å; Y481-W488 AromaticContact CG-CE2 3.99Å; Y481-W488 HydrophobicContact CG-CH2 4.46Å; Y481-W488 HydrophobicContact CG-CZ2 4.09Å
482	E	93.5	Very high	95.1	Very high	51 Å²	51	57 Å²	57	24%	0.238	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.2	172.6	179.9	160.3	-172.7	0	0	110.2	F460 R480 R484 M485 N486 C487	F460-E482 HydrophobicContact CD1-CB 4.18Å; F460-E482 HydrophobicContact CD1-CG 4.34Å; F460-E482 HydrophobicContact CE1-CB 4.09Å; F460-E482 HydrophobicContact CE1-CG 3.81Å; R480-E482 IonicContact NH2-OE2 3.21Å; E482-R484 VanDerWaalsContact C-N 3.3Å; E482-R484 PolarHBondContact O-N 2.83Å; E482-M485 HydrophobicContact CB-CB 4.36Å; E482-M485 HydrophobicContact CG-CB 3.99Å; E482-M485 HydrophobicContact CG-CG 3.96Å; E482-M485 PolarHBondContact O-N 2.76Å; E482-N486 WeakPolarHBondContact O-CA 3.4Å; E482-N486 PolarHBondContact O-N 2.93Å; E482-C487 PolarHBondContact N-O 3.2Å; E482-C487 PolarHBondContact O-N 2.86Å
483	P	87.6	Confident	95.8	Very high	22 Å²	22	54.1 Å²	54.1	14%	0.143	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.7	-174.3	-29.5	38.3	0	0	0	114.8	M410 Y481 F615	M410-P483 HydrophobicContact CE-CB 4.42Å; M410-P483 HydrophobicContact CE-CG 3.27Å; M410-P483 HydrophobicContact SD-CG 3.96Å; Y481-P483 HydrophobicContact CD1-CG 3.97Å; Y481-P483 HydrophobicContact CE1-CB 4.03Å; Y481-P483 HydrophobicContact CE1-CG 3.87Å; Y481-P483 WeakPolarHBondContact O-CD 3.32Å; P483-F615 HydrophobicContact CB-CE1 3.58Å; P483-F615 HydrophobicContact CB-CZ 4.15Å; P483-F615 HydrophobicContact CG-CE1 4.4Å
484	R	88.9	Confident	96.3	Very high	178 Å²	178	50 Å²	50	67%	0.672	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-37.7	-179.1	-67.8	-175.4	67.2	94.1	-3.4	112.4	E482	E482-R484 VanDerWaalsContact C-N 3.3Å; E482-R484 PolarHBondContact O-N 2.83Å
485	M	91.2	Very high	96.4	Very high	131 Å²	131	56.8 Å²	56.8	65%	0.645	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-10	-179.8	-62.6	-59	-68	0	0	112.4	E482 C487	E482-M485 HydrophobicContact CB-CB 4.36Å; E482-M485 HydrophobicContact CG-CB 3.99Å; E482-M485 HydrophobicContact CG-CG 3.96Å; E482-M485 PolarHBondContact O-N 2.76Å; M485-C487 VanDerWaalsContact C-N 3.3Å; M485-C487 VanDerWaalsContact CB-SG 3.58Å; M485-C487 PolarHBondContact O-N 2.76Å
486	N	95.9	Very high	96.3	Very high	76 Å²	76	61.7 Å²	61.7	41%	0.406	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.8	54.9	-172.4	-172.2	33.2	0	0	0	111.6	A443 Y481 E482	A443-N486 WeakPolarHBondContact CB-O 3.17Å; A443-N486 PolarHBondContact N-OD1 2.91Å; Y481-N486 WeakPolarHBondContact CE2-OD1 3.33Å; Y481-N486 PolarHBondContact OH-OD1 2.83Å; E482-N486 WeakPolarHBondContact O-CA 3.4Å; E482-N486 PolarHBondContact O-N 2.93Å
487	C	97.5	Very high	96.3	Very high	46 Å²	46	64.8 Å²	64.8	31%	0.311	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.3	179.4	67.5	0	0	0	0	111.3	Y481 E482 M485	Y481-C487 WeakPolarHBondContact CA-O 3.48Å; Y481-C487 WeakPolarHBondContact CD2-O 3.12Å; E482-C487 PolarHBondContact N-O 3.2Å; E482-C487 PolarHBondContact O-N 2.86Å; M485-C487 VanDerWaalsContact C-N 3.3Å; M485-C487 VanDerWaalsContact CB-SG 3.58Å; M485-C487 PolarHBondContact O-N 2.76Å
488	W	98.7	Very high	96.3	Very high	28 Å²	28	63.8 Å²	63.8	11%	0.106	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.4	172	-67.2	87.8	0	0	0	109.6	V417 A429 I442 A443 Q444 M445 L461 A463 E479 R480 Y481	V417-W488 HydrophobicContact CG1-CH2 3.85Å; V417-W488 HydrophobicContact CG1-CZ2 4.16Å; V417-W488 HydrophobicContact CG2-CH2 4.02Å; V417-W488 HydrophobicContact CG2-CZ2 4.32Å; A429-W488 HydrophobicContact CB-CZ2 4.05Å; I442-W488 HydrophobicContact CD1-CZ2 4.15Å; A443-W488 VanDerWaalsContact O-CD1 3.3Å; A443-W488 PolarHBondContact O-NE1 3.16Å; Q444-W488 VanDerWaalsContact C-CD1 3.48Å; M445-W488 HydrophobicContact CG-CD2 3.69Å; M445-W488 HydrophobicContact CG-CE3 4.04Å; M445-W488 HydrophobicContact CG-CG 4.1Å; M445-W488 HydrophobicContact CG-CH2 4.35Å; M445-W488 HydrophobicContact CG-CZ2 4.03Å; M445-W488 HydrophobicContact CG-CZ3 4.36Å; M445-W488 HydrophobicContact SD-CH2 4.46Å; L461-W488 HydrophobicContact CD2-CH2 3.85Å; L461-W488 HydrophobicContact CD2-CZ2 4.39Å; L461-W488 HydrophobicContact CG-CH2 4.39Å; A463-W488 HydrophobicContact CB-CE3 4.48Å; A463-W488 HydrophobicContact CB-CH2 4.08Å; A463-W488 HydrophobicContact CB-CZ3 3.63Å; E479-W488 HydrophobicContact CB-CE3 3.85Å; R480-W488 CarbonylContact O-C 3.59Å; R480-W488 WeakPolarHBondContact O-CA 3.39Å; Y481-W488 AromaticContact CD2-CD1 3.89Å; Y481-W488 HydrophobicContact CD2-CD2 4.06Å; Y481-W488 AromaticContact CD2-CE2 3.73Å; Y481-W488 HydrophobicContact CD2-CG 4.18Å; Y481-W488 HydrophobicContact CD2-CZ2 4.23Å; Y481-W488 AromaticContact CD2-NE1 3.6Å; Y481-W488 HydrophobicContact CG-CD2 4.29Å; Y481-W488 AromaticContact CG-CE2 3.99Å; Y481-W488 HydrophobicContact CG-CH2 4.46Å; Y481-W488 HydrophobicContact CG-CZ2 4.09Å
489	T	98	Very high	96.3	Very high	66 Å²	66	64 Å²	64	41%	0.405	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.9	176.9	-54.8	0	0	0	0	109	E479 R480	E479-T489 CarbonylContact C-O 3.58Å; E479-T489 WeakPolarHBondContact CA-O 3.31Å; R480-T489 PolarHBondContact N-O 2.74Å; R480-T489 PolarHBondContact O-N 3.06Å
490	R	97.6	Very high	96.3	Very high	132 Å²	132	64.3 Å²	64.3	50%	0.498	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	136	172.7	-76.2	-171.3	174.5	106.1	-0.3	110.3	S446 T447 E479	S446-R490 PolarHBondContact OG-NE 3.1Å; S446-R490 PolarHBondContact OG-NH1 3.17Å; S446-R490 PolarHBondContact OG-NH2 3.33Å; T447-R490 PolarHBondContact OG1-NH2 3.26Å; E479-R490 HydrophobicContact CG-CG 3.78Å
491	V	96.8	Very high	96.3	Very high	22 Å²	22	61.8 Å²	61.8	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	179.7	169.3	-58.2	0	0	0	0	109.6	Y462 V478 R480 N493	Y462-V491 HydrophobicContact CD1-CG2 4.48Å; Y462-V491 HydrophobicContact CE1-CG1 4.27Å; Y462-V491 HydrophobicContact CE1-CG2 4.35Å; V478-V491 HydrophobicContact CB-CG2 3.61Å; V478-V491 HydrophobicContact CG1-CG2 3.62Å; V478-V491 PolarHBondContact O-N 2.88Å; R480-V491 HydrophobicContact CB-CG1 3.87Å; V491-N493 PolarHBondContact O-N 3.06Å
492	V	97.8	Very high	96.3	Very high	56 Å²	56	61.7 Å²	61.7	34%	0.339	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-56.2	137	178.1	62.8	0	0	0	0	111	F528 N533 W535	V492-F528 HydrophobicContact CG1-CD2 4.11Å; V492-F528 HydrophobicContact CG1-CE2 3.65Å; V492-N533 WeakPolarHBondContact CG1-O 3.16Å; V492-W535 PolarHBondContact O-NE1 2.82Å
493	N	98.3	Very high	96.5	Very high	74 Å²	74	60.1 Å²	60.1	40%	0.396	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-65.4	146.4	179.8	-67	3.9	0	0	0	111.1	V491 W535	V491-N493 PolarHBondContact O-N 3.06Å; N493-W535 PolarHBondContact O-NE1 2.59Å
494	M	98.2	Very high	97	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.03	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-55.3	158.4	166.1	-73.8	-174.5	-58.2	0	0	111.2	V464 D476 V478 R496 R498 V512 E526 W535	V464-M494 HydrophobicContact CG1-CE 3.94Å; V464-M494 HydrophobicContact CG1-CG 4.46Å; V464-M494 HydrophobicContact CG1-SD 3.33Å; V464-M494 WeakPolarHBondContact CG1-SD 3.25Å; D476-M494 HydrophobicContact CB-CB 4.34Å; D476-M494 WeakPolarHBondContact O-CB 3.4Å; D476-M494 PolarHBondContact O-N 3.3Å; V478-M494 HydrophobicContact CG2-CE 4.44Å; V478-M494 HydrophobicContact CG2-CG 3.79Å; V478-M494 HydrophobicContact CG2-SD 4.31Å; M494-R496 VanDerWaalsContact C-N 3.26Å; M494-R496 WeakPolarHBondContact CB-O 3.46Å; M494-R496 PolarHBondContact O-N 3.05Å; M494-R498 HydrophobicContact CE-CB 4.17Å; M494-R498 HydrophobicContact CE-CG 4.47Å; M494-V512 HydrophobicContact SD-CG1 3.91Å; M494-V512 HydrophobicContact SD-CG2 4.34Å; M494-E526 VanDerWaalsContact CA-OE1 3.25Å; M494-E526 WeakPolarHBondContact CA-OE1 3.39Å; M494-E526 WeakPolarHBondContact CB-OE1 3.45Å; M494-E526 WeakPolarHBondContact CG-OE1 3.44Å; M494-W535 HydrophobicContact CG-CD2 4.16Å; M494-W535 HydrophobicContact CG-CE3 4.35Å; M494-W535 HydrophobicContact CG-CH2 3.85Å; M494-W535 HydrophobicContact CG-CZ2 3.63Å; M494-W535 HydrophobicContact CG-CZ3 4.2Å; M494-W535 HydrophobicContact SD-CH2 4.41Å
495	R	97.2	Very high	97.3	Very high	150 Å²	150	53.2 Å²	53.2	57%	0.566	26%	0.256	S	S	*	.	S	Bend	trans	-74.3	-21.9	178.2	-61.1	171.4	76	104.6	0.6	111.9	E526 W535 D537	R495-E526 PolarHBondContact N-OE1 2.84Å; R495-W535 HydrophobicContact CG-CB 3.89Å; R495-W535 PolarHBondContact NH1-O 2.83Å; R495-W535 VanDerWaalsContact NH1-O 3.16Å; R495-D537 IonicContact CZ-OD2 3.94Å; R495-D537 VanDerWaalsContact CZ-OD2 3.23Å; R495-D537 IonicContact NE-OD1 2.85Å; R495-D537 IonicContact NE-OD2 3.19Å; R495-D537 PolarHBondContact NE-OD2 2.8Å; R495-D537 IonicContact NH2-OD2 2.69Å; R495-D537 PolarHBondContact NH2-OD2 3.14Å
496	R	96.3	Very high	97.3	Very high	119 Å²	119	47.1 Å²	47.1	45%	0.449	23%	0.226	S	C	.	.	S	Bend	trans	-134.3	148.8	-179.6	-60.9	-179.8	-173.3	-87.6	-3.4	110.7	M494	M494-R496 VanDerWaalsContact C-N 3.26Å; M494-R496 WeakPolarHBondContact CB-O 3.46Å; M494-R496 PolarHBondContact O-N 3.05Å
497	R	97.4	Very high	96.9	Very high	112 Å²	112	48.6 Å²	48.6	42%	0.423	23%	0.234	S	C	.	.			trans	-71.9	134.2	169.5	-68.5	-177.5	-70.3	-89.5	5.6	109.3	C474 L475 D476 D517	C474-R497 HydrophobicContact CB-CB 3.96Å; C474-R497 WeakPolarHBondContact O-CD 3.3Å; C474-R497 WeakPolarHBondContact O-CG 3.5Å; L475-R497 WeakPolarHBondContact O-CA 3.22Å; D476-R497 HydrophobicContact CB-CG 3.92Å; R497-D517 HydrophobicContact CB-CB 4.35Å
498	R	98.2	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.			trans	-141.8	123.2	-177.2	-61.1	175.9	-174.8	-100.7	6.7	111	G466 L475 M494 P501 G514 H516 S524 E526	G466-R498 PolarHBondContact N-O 2.93Å; L475-R498 PolarHBondContact O-N 2.78Å; M494-R498 HydrophobicContact CE-CB 4.17Å; M494-R498 HydrophobicContact CE-CG 4.47Å; R498-P501 HydrophobicContact CB-CB 4.21Å; R498-P501 HydrophobicContact CB-CG 4.28Å; R498-G514 WeakPolarHBondContact CD-O 3.11Å; R498-G514 PolarHBondContact NH1-O 2.85Å; R498-H516 CarbonylContact C-O 3.56Å; R498-H516 WeakPolarHBondContact CA-O 3.3Å; R498-S524 PolarHBondContact NH1-O 2.81Å; R498-S524 PolarHBondContact NH1-OG 2.89Å; R498-S524 PolarHBondContact NH2-O 2.84Å; R498-S524 PolarHBondContact NH2-OG 2.89Å; R498-S524 VanDerWaalsContact NH2-OG 3.1Å; R498-E526 IonicContact CZ-OE2 2.76Å; R498-E526 IonicContact NE-OE2 2.59Å; R498-E526 PolarHBondContact NE-OE2 3.47Å; R498-E526 IonicContact NH2-OE2 3.61Å; R498-E526 PolarHBondContact NH2-OE2 2.92Å
499	S	97.9	Very high	96.4	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.028	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-110.1	137.8	163.7	164.3	0	0	0	0	109.7	S451 C474 P501 G515 H516	S451-S499 WeakPolarHBondContact CB-OG 3.36Å; C474-S499 VanDerWaalsContact SG-CB 3.59Å; S499-P501 VanDerWaalsContact C-CD 3.42Å; S499-G515 CarbonylContact O-C 3.52Å; S499-G515 VanDerWaalsContact O-CA 3.28Å; S499-G515 WeakPolarHBondContact O-CA 3.42Å; S499-H516 WeakPolarHBondContact CB-NE2 3.03Å; S499-H516 PolarHBondContact N-O 2.83Å; S499-H516 PolarHBondContact O-CD2 3.13Å; S499-H516 PolarHBondContact O-N 3.25Å; S499-H516 PolarHBondContact OG-NE2 3.25Å
500	G	97.6	Very high	96.4	Very high	7 Å²	7	45.3 Å²	45.3	7%	0.072	22%	0.22	C	C	.	.	S	Bend	trans	60.6	40.1	-173.7	0	0	0	0	0	115.5	S451 N547	S451-G500 PolarHBondContact O-N 3.06Å; G500-N547 WeakPolarHBondContact CA-OD1 3.36Å; G500-N547 WeakPolarHBondContact O-CA 3.36Å; G500-N547 PolarHBondContact O-N 2.84Å
501	P	98.5	Very high	96.4	Very high	12 Å²	12	39.4 Å²	39.4	8%	0.078	20%	0.198	C	C	.	.			trans	-72.1	153.2	173	33.2	-34.7	0	0	0	111.3	R498 S499 V503 V512 L513	R498-P501 HydrophobicContact CB-CB 4.21Å; R498-P501 HydrophobicContact CB-CG 4.28Å; S499-P501 VanDerWaalsContact C-CD 3.42Å; P501-V503 HydrophobicContact CB-CG2 4.26Å; P501-V503 HydrophobicContact CG-CG2 4.02Å; P501-V512 HydrophobicContact CB-CG1 3.71Å; P501-V512 HydrophobicContact CG-CG1 4.34Å; P501-L513 WeakPolarHBondContact CA-O 3.35Å
502	G	98.4	Very high	96.5	Very high	4 Å²	4	38.4 Å²	38.4	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.1	160.2	0	0	0	0	0	109.1	V512 L513 V548	G502-V512 CarbonylContact O-C 3.48Å; G502-V512 WeakPolarHBondContact O-CA 3.41Å; G502-L513 PolarHBondContact N-O 3.31Å; G502-L513 PolarHBondContact O-N 2.62Å; G502-V548 VanDerWaalsContact N-CG1 3.33Å
503	V	98.5	Very high	96.5	Very high	17 Å²	17	35.7 Å²	35.7	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.9	-178.4	-175.3	0	0	0	0	109.1	A455 V464 P501 L510 Y511 V512	A455-V503 HydrophobicContact CB-CB 4.5Å; A455-V503 HydrophobicContact CB-CG1 3.72Å; V464-V503 HydrophobicContact CB-CG2 4.06Å; V464-V503 HydrophobicContact CG1-CG2 4.22Å; V464-V503 HydrophobicContact CG2-CG1 4.01Å; V464-V503 HydrophobicContact CG2-CG2 4.43Å; P501-V503 HydrophobicContact CB-CG2 4.26Å; P501-V503 HydrophobicContact CG-CG2 4.02Å; V503-L510 HydrophobicContact CG1-CD1 3.58Å; V503-L510 HydrophobicContact CG1-CG 4.22Å; V503-Y511 WeakPolarHBondContact CA-O 3.37Å; V503-V512 HydrophobicContact CG1-CG2 4.47Å; V503-V512 HydrophobicContact CG2-CG1 4.36Å; V503-V512 HydrophobicContact CG2-CG2 4.34Å
504	V	97.5	Very high	96.5	Very high	16 Å²	16	32.2 Å²	32.2	10%	0.097	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.4	-176.5	66.6	0	0	0	0	110.5	Y511 A550 A552 V557	V504-Y511 PolarHBondContact N-O 3.09Å; V504-Y511 VanDerWaalsContact N-O 3.07Å; V504-Y511 PolarHBondContact O-N 3.38Å; V504-A550 HydrophobicContact CB-CB 4.06Å; V504-A550 HydrophobicContact CG1-CB 4.11Å; V504-A552 HydrophobicContact CG2-CB 3.56Å; V504-V557 HydrophobicContact CG1-CG1 3.8Å; V504-V557 HydrophobicContact CG1-CG2 4.48Å
505	V	95.2	Very high	96.5	Very high	40 Å²	40	31.9 Å²	31.9	24%	0.242	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.4	173.6	172.9	0	0	0	0	109.9	A455 V456 L457 L509 L510 A552	A455-V505 HydrophobicContact CB-CG2 4.15Å; V456-V505 WeakPolarHBondContact O-CG2 3.33Å; L457-V505 HydrophobicContact CB-CG2 3.92Å; L457-V505 HydrophobicContact CD1-CG1 3.71Å; L457-V505 HydrophobicContact CD1-CG2 4.3Å; V505-L509 VanDerWaalsContact CA-O 3.24Å; V505-L509 WeakPolarHBondContact CA-O 3.41Å; V505-L510 HydrophobicContact CG2-CB 4.47Å; V505-L510 HydrophobicContact CG2-CD1 3.76Å; V505-A552 WeakPolarHBondContact O-CB 3.44Å
506	A	91.3	Very high	96.6	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.8	174.8	0	0	0	0	0	108.6	G508 L509 Y511 A552 V557	A506-G508 PolarHBondContact O-N 3.18Å; A506-G508 VanDerWaalsContact O-N 3.1Å; A506-L509 PolarHBondContact N-O 3.15Å; A506-L509 PolarHBondContact O-N 3.1Å; A506-Y511 HydrophobicContact CB-CD2 4.1Å; A506-Y511 HydrophobicContact CB-CE2 3.87Å; A506-A552 HydrophobicContact CB-CB 3.83Å; A506-V557 HydrophobicContact CB-CG2 3.54Å
507	D	88.1	Confident	96.5	Very high	107 Å²	107	22.9 Å²	22.9	57%	0.572	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	40.5	-176.5	-165.9	25.2	0	0	0	114	L509 D555	D507-L509 PolarHBondContact O-N 2.88Å; D507-L509 VanDerWaalsContact O-N 3.16Å; D507-D555 HydrophobicContact CB-CB 4.28Å
508	G	89.7	Confident	96.2	Very high	33 Å²	33	20 Å²	20	34%	0.34	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	17.9	-179.5	0	0	0	0	0	115.4	L457 A506	L457-G508 WeakPolarHBondContact CD1-O 3.47Å; A506-G508 PolarHBondContact O-N 3.18Å; A506-G508 VanDerWaalsContact O-N 3.1Å
509	L	95.6	Very high	95.8	Very high	37 Å²	37	25.9 Å²	25.9	19%	0.194	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.9	177.2	-64.2	169.8	0	0	0	110.8	V505 A506 D507 Y511 I527 D529	V505-L509 VanDerWaalsContact CA-O 3.24Å; V505-L509 WeakPolarHBondContact CA-O 3.41Å; A506-L509 PolarHBondContact N-O 3.15Å; A506-L509 PolarHBondContact O-N 3.1Å; D507-L509 PolarHBondContact O-N 2.88Å; D507-L509 VanDerWaalsContact O-N 3.16Å; L509-Y511 HydrophobicContact CB-CD2 4.44Å; L509-Y511 HydrophobicContact CB-CE2 3.94Å; L509-I527 HydrophobicContact CD1-CD1 4.26Å; L509-D529 HydrophobicContact CD2-CB 3.66Å
510	L	97.7	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.3	178.8	179.4	79.4	0	0	0	110.4	A455 L457 Y462 V464 V503 V505 I527 F528 W535	A455-L510 HydrophobicContact CB-CD1 3.74Å; L457-L510 HydrophobicContact CD2-CB 4.19Å; Y462-L510 HydrophobicContact CD1-CD2 4.19Å; Y462-L510 HydrophobicContact CG-CD2 4.18Å; V464-L510 HydrophobicContact CG2-CD2 4Å; V503-L510 HydrophobicContact CG1-CD1 3.58Å; V503-L510 HydrophobicContact CG1-CG 4.22Å; V505-L510 HydrophobicContact CG2-CB 4.47Å; V505-L510 HydrophobicContact CG2-CD1 3.76Å; L510-I527 CarbonylContact O-C 3.26Å; L510-I527 VanDerWaalsContact O-CA 3.28Å; L510-I527 WeakPolarHBondContact O-CA 3.34Å; L510-F528 HydrophobicContact CB-CB 4.14Å; L510-F528 HydrophobicContact CB-CD1 4.3Å; L510-F528 HydrophobicContact CD2-CB 4.31Å; L510-F528 HydrophobicContact CD2-CD1 4.24Å; L510-F528 PolarHBondContact N-O 3Å; L510-F528 PolarHBondContact O-N 3.22Å; L510-W535 HydrophobicContact CD2-CH2 3.91Å
511	Y	98.4	Very high	95.7	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.035	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.2	177.8	-73.1	-108.1	0	0	0	111.1	V503 V504 A506 L509 V525 I527 V557 F575	V503-Y511 WeakPolarHBondContact CA-O 3.37Å; V504-Y511 PolarHBondContact N-O 3.09Å; V504-Y511 VanDerWaalsContact N-O 3.07Å; V504-Y511 PolarHBondContact O-N 3.38Å; A506-Y511 HydrophobicContact CB-CD2 4.1Å; A506-Y511 HydrophobicContact CB-CE2 3.87Å; L509-Y511 HydrophobicContact CB-CD2 4.44Å; L509-Y511 HydrophobicContact CB-CE2 3.94Å; Y511-V525 HydrophobicContact CD1-CG1 4.33Å; Y511-I527 HydrophobicContact CD1-CG2 3.36Å; Y511-I527 HydrophobicContact CD2-CG2 4.07Å; Y511-I527 HydrophobicContact CE1-CG2 3.33Å; Y511-I527 HydrophobicContact CE2-CG2 4.03Å; Y511-I527 HydrophobicContact CG-CG2 3.73Å; Y511-V557 HydrophobicContact CD1-CG2 4.09Å; Y511-V557 HydrophobicContact CD2-CG2 4.23Å; Y511-V557 HydrophobicContact CE1-CG2 4.21Å; Y511-V557 HydrophobicContact CE2-CG2 4.36Å; Y511-V557 HydrophobicContact CG-CG2 4.11Å; Y511-F575 HydrophobicContact CE1-CD1 4.1Å; Y511-F575 HydrophobicContact CE1-CE1 4.01Å
512	V	98.7	Very high	95.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.3	176.8	-176.1	0	0	0	0	109.7	V464 M494 P501 G502 V503 V525 E526 W535	V464-V512 HydrophobicContact CG1-CG1 4.16Å; V464-V512 HydrophobicContact CG1-CG2 3.77Å; M494-V512 HydrophobicContact SD-CG1 3.91Å; M494-V512 HydrophobicContact SD-CG2 4.34Å; P501-V512 HydrophobicContact CB-CG1 3.71Å; P501-V512 HydrophobicContact CG-CG1 4.34Å; G502-V512 CarbonylContact O-C 3.48Å; G502-V512 WeakPolarHBondContact O-CA 3.41Å; V503-V512 HydrophobicContact CG1-CG2 4.47Å; V503-V512 HydrophobicContact CG2-CG1 4.36Å; V503-V512 HydrophobicContact CG2-CG2 4.34Å; V512-V525 WeakPolarHBondContact O-CA 2.97Å; V512-E526 HydrophobicContact CB-CG 4.13Å; V512-E526 PolarHBondContact N-O 3.16Å; V512-E526 PolarHBondContact O-N 2.84Å; V512-W535 HydrophobicContact CB-CZ3 4.26Å; V512-W535 HydrophobicContact CG2-CH2 3.6Å; V512-W535 HydrophobicContact CG2-CZ3 3.49Å; V512-W535 VanDerWaalsContact CG2-CZ3 3.49Å
513	L	98.6	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.3	-170.8	-42	-173.4	0	0	0	110.8	P501 G502 G515 V525 M541 V548 A550 V557 A559 W582	P501-L513 WeakPolarHBondContact CA-O 3.35Å; G502-L513 PolarHBondContact N-O 3.31Å; G502-L513 PolarHBondContact O-N 2.62Å; L513-G515 PolarHBondContact O-N 3.39Å; L513-V525 HydrophobicContact CD2-CB 4.34Å; L513-V525 HydrophobicContact CD2-CG1 3.4Å; L513-V525 VanDerWaalsContact CD2-CG1 3.4Å; L513-V525 HydrophobicContact CD2-CG2 3.99Å; L513-M541 HydrophobicContact CB-CE 4.27Å; L513-M541 HydrophobicContact CB-SD 4.08Å; L513-V548 HydrophobicContact CB-CG1 4.31Å; L513-A550 HydrophobicContact CD1-CB 3.74Å; L513-A550 HydrophobicContact CG-CB 4.41Å; L513-V557 HydrophobicContact CD1-CG1 3.99Å; L513-V557 HydrophobicContact CD2-CG1 4.28Å; L513-A559 HydrophobicContact CD1-CB 4.03Å; L513-W582 HydrophobicContact CD1-CH2 4.06Å; L513-W582 HydrophobicContact CD2-CH2 4.05Å; L513-W582 HydrophobicContact CD2-CZ2 4.05Å
514	G	98.4	Very high	95.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.197	C	C	.	.			trans	57.6	-131.7	168.1	0	0	0	0	0	114.4	R498 H522 S524 R545	R498-G514 WeakPolarHBondContact CD-O 3.11Å; R498-G514 PolarHBondContact NH1-O 2.85Å; G514-H522 WeakPolarHBondContact CA-O 3.2Å; G514-S524 PolarHBondContact N-O 2.87Å; G514-R545 WeakPolarHBondContact CA-O 3.47Å
515	G	98.2	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.192	C	C	.	.			trans	86.3	-167.5	-167.6	0	0	0	0	0	112	S499 L513 H522 R545	S499-G515 CarbonylContact O-C 3.52Å; S499-G515 VanDerWaalsContact O-CA 3.28Å; S499-G515 WeakPolarHBondContact O-CA 3.42Å; L513-G515 PolarHBondContact O-N 3.39Å; G515-H522 PolarHBondContact O-N 2.84Å; G515-R545 PolarHBondContact N-O 2.86Å
516	H	97.7	Very high	95.9	Very high	39 Å²	39	29.7 Å²	29.7	18%	0.181	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-139.7	155.7	177.1	71.9	90.8	0	0	0	111.6	C474 R498 S499 G518 E520 V521 R546	C474-H516 PolarHBondContact SG-O 3.49Å; R498-H516 CarbonylContact C-O 3.56Å; R498-H516 WeakPolarHBondContact CA-O 3.3Å; S499-H516 WeakPolarHBondContact CB-NE2 3.03Å; S499-H516 PolarHBondContact N-O 2.83Å; S499-H516 PolarHBondContact O-CD2 3.13Å; S499-H516 PolarHBondContact O-N 3.25Å; S499-H516 PolarHBondContact OG-NE2 3.25Å; H516-G518 PolarHBondContact ND1-N 2.98Å; H516-E520 WeakPolarHBondContact CA-O 3.49Å; H516-E520 WeakPolarHBondContact CB-O 3.35Å; H516-V521 HydrophobicContact CB-CG2 4.46Å; H516-R546 HydrophobicContact CB-CB 4.41Å
517	D	95.5	Very high	96.2	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.219	19%	0.186	C	C	.	.			trans	-101.1	-1.3	175	62.5	1.9	0	0	0	113.3	C474 R497 P519 E520 H522	C474-D517 PolarHBondContact SG-O 3.13Å; C474-D517 VanDerWaalsContact SG-O 3.36Å; R497-D517 HydrophobicContact CB-CB 4.35Å; D517-P519 WeakPolarHBondContact OD1-CD 3.46Å; D517-E520 PolarHBondContact N-O 3.21Å; D517-E520 PolarHBondContact OD1-N 2.92Å; D517-H522 IonicContact OD1-CE1 3.98Å; D517-H522 IonicContact OD1-NE2 2.75Å; D517-H522 IonicContact OD2-CE1 3.51Å; D517-H522 IonicContact OD2-NE2 3.6Å
518	G	90.2	Very high	96.7	Very high	51 Å²	51	25.9 Å²	25.9	53%	0.526	16%	0.16	S	C	.	.	S	Bend	trans	123.4	-65.4	179.7	0	0	0	0	0	109.5	H516	H516-G518 PolarHBondContact ND1-N 2.98Å
519	P	90.1	Very high	97	Very high	124 Å²	124	26.6 Å²	26.6	81%	0.805	16%	0.156	S	C	*	.	S	Bend	trans	-71.2	-41.8	172.4	-21.3	34.3	0	0	0	114.7	D517	D517-P519 WeakPolarHBondContact OD1-CD 3.46Å
520	E	95.7	Very high	96.9	Very high	110 Å²	110	27.1 Å²	27.1	51%	0.514	16%	0.159	S	C	.	.			trans	-118.7	143.5	-170.2	-65.5	-164.3	171.7	0	0	113.5	H516 D517	H516-E520 WeakPolarHBondContact CA-O 3.49Å; H516-E520 WeakPolarHBondContact CB-O 3.35Å; D517-E520 PolarHBondContact N-O 3.21Å; D517-E520 PolarHBondContact OD1-N 2.92Å
521	V	98.1	Very high	96.7	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.079	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-89.8	130.8	165.3	-175.7	0	0	0	0	109	H516 R544 R546	H516-V521 HydrophobicContact CB-CG2 4.46Å; V521-R544 HydrophobicContact CB-CB 4.34Å; V521-R544 HydrophobicContact CG1-CB 3.94Å; V521-R544 VanDerWaalsContact O-CD 3.31Å; V521-R544 WeakPolarHBondContact O-CD 3.38Å; V521-R544 PolarHBondContact O-NH1 3.27Å; V521-R546 HydrophobicContact CG1-CB 3.98Å; V521-R546 HydrophobicContact CG1-CG 4.21Å; V521-R546 HydrophobicContact CG2-CG 4.22Å
522	H	98	Very high	96.5	Very high	10 Å²	10	35 Å²	35	5%	0.046	21%	0.21	C	C	.	.			trans	-97.4	147.7	-175.7	-58	-48.4	0	0	0	112.4	G514 G515 D517 R545	G514-H522 WeakPolarHBondContact CA-O 3.2Å; G515-H522 PolarHBondContact O-N 2.84Å; D517-H522 IonicContact OD1-CE1 3.98Å; D517-H522 IonicContact OD1-NE2 2.75Å; D517-H522 IonicContact OD2-CE1 3.51Å; D517-H522 IonicContact OD2-NE2 3.6Å; H522-R545 PolarHBondContact O-N 3.26Å
523	N	98.2	Very high	96.3	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.203	23%	0.229	C	C	.	.			trans	-107.3	-0.6	161.2	65.8	-28.1	0	0	0	112.1	N540 M541 S543 R544	N523-N540 CarbonylContact O-C 3.57Å; N523-N540 WeakPolarHBondContact O-CA 3.5Å; N523-M541 HydrophobicContact CB-CB 4.24Å; N523-M541 WeakPolarHBondContact CB-O 3.45Å; N523-M541 PolarHBondContact ND2-O 3.25Å; N523-M541 PolarHBondContact O-N 3.24Å; N523-S543 VanDerWaalsContact CB-O 3.24Å; N523-S543 WeakPolarHBondContact CB-O 3.26Å; N523-R544 HydrophobicContact CB-CB 4.45Å; N523-R544 HydrophobicContact CB-CG 3.97Å
524	S	98.3	Very high	96.3	Very high	8 Å²	8	47 Å²	47	6%	0.056	26%	0.261	C	S	.	.			trans	-70.2	149.2	-179.3	59.7	0	0	0	0	111.9	R498 G514 N540	R498-S524 PolarHBondContact NH1-O 2.81Å; R498-S524 PolarHBondContact NH1-OG 2.89Å; R498-S524 PolarHBondContact NH2-O 2.84Å; R498-S524 PolarHBondContact NH2-OG 2.89Å; R498-S524 VanDerWaalsContact NH2-OG 3.1Å; G514-S524 PolarHBondContact N-O 2.87Å; S524-N540 VanDerWaalsContact CA-OD1 3.3Å; S524-N540 WeakPolarHBondContact CA-OD1 3.45Å
525	V	98.6	Very high	96.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.5	-180	-176.7	0	0	0	0	108.5	Y511 V512 L513 V538 M541 W582	Y511-V525 HydrophobicContact CD1-CG1 4.33Å; V512-V525 WeakPolarHBondContact O-CA 2.97Å; L513-V525 HydrophobicContact CD2-CB 4.34Å; L513-V525 HydrophobicContact CD2-CG1 3.4Å; L513-V525 VanDerWaalsContact CD2-CG1 3.4Å; L513-V525 HydrophobicContact CD2-CG2 3.99Å; V525-V538 HydrophobicContact CB-CG2 3.63Å; V525-V538 HydrophobicContact CG1-CG2 3.41Å; V525-V538 VanDerWaalsContact CG1-CG2 3.41Å; V525-V538 PolarHBondContact O-N 3.42Å; V525-M541 HydrophobicContact CG2-CE 4.49Å; V525-M541 HydrophobicContact CG2-CG 3.76Å; V525-M541 HydrophobicContact CG2-SD 4.42Å; V525-W582 HydrophobicContact CG1-CZ2 4.38Å; V525-W582 HydrophobicContact CG2-CZ2 3.76Å
526	E	98.1	Very high	96.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.2	173.9	59.4	-167.6	-98.7	0	0	110.2	M494 R495 R498 V512 W535 S536	M494-E526 VanDerWaalsContact CA-OE1 3.25Å; M494-E526 WeakPolarHBondContact CA-OE1 3.39Å; M494-E526 WeakPolarHBondContact CB-OE1 3.45Å; M494-E526 WeakPolarHBondContact CG-OE1 3.44Å; R495-E526 PolarHBondContact N-OE1 2.84Å; R498-E526 IonicContact CZ-OE2 2.76Å; R498-E526 IonicContact NE-OE2 2.59Å; R498-E526 PolarHBondContact NE-OE2 3.47Å; R498-E526 IonicContact NH2-OE2 3.61Å; R498-E526 PolarHBondContact NH2-OE2 2.92Å; V512-E526 HydrophobicContact CB-CG 4.13Å; V512-E526 PolarHBondContact N-O 3.16Å; V512-E526 PolarHBondContact O-N 2.84Å; E526-W535 HydrophobicContact CB-CE3 4.13Å; E526-W535 HydrophobicContact CG-CE3 3.7Å; E526-W535 HydrophobicContact CG-CZ3 3.98Å; E526-S536 CarbonylContact C-O 3.54Å; E526-S536 VanDerWaalsContact CA-O 3.26Å; E526-S536 WeakPolarHBondContact CA-O 3.34Å
527	I	97.9	Very high	96.3	Very high	28 Å²	28	52 Å²	52	14%	0.144	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.5	178.5	60.8	174.2	0	0	0	109.9	L509 L510 Y511 W535 S536 V538	L509-I527 HydrophobicContact CD1-CD1 4.26Å; L510-I527 CarbonylContact O-C 3.26Å; L510-I527 VanDerWaalsContact O-CA 3.28Å; L510-I527 WeakPolarHBondContact O-CA 3.34Å; Y511-I527 HydrophobicContact CD1-CG2 3.36Å; Y511-I527 HydrophobicContact CD2-CG2 4.07Å; Y511-I527 HydrophobicContact CE1-CG2 3.33Å; Y511-I527 HydrophobicContact CE2-CG2 4.03Å; Y511-I527 HydrophobicContact CG-CG2 3.73Å; I527-W535 CarbonylContact O-C 3.55Å; I527-W535 VanDerWaalsContact O-CA 3.3Å; I527-W535 WeakPolarHBondContact O-CA 3.3Å; I527-S536 PolarHBondContact N-O 2.78Å; I527-S536 PolarHBondContact O-N 2.76Å; I527-V538 HydrophobicContact CB-CG1 4.41Å; I527-V538 HydrophobicContact CD1-CG1 3.64Å; I527-V538 HydrophobicContact CG1-CG1 3.8Å; I527-V538 HydrophobicContact CG2-CG1 3.78Å; I527-V538 HydrophobicContact CG2-CG2 4.17Å
528	F	98.5	Very high	96.3	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.7	172.3	171.1	-103.7	0	0	0	110.5	L457 Y462 V492 L510 D530 N533 W535	L457-F528 HydrophobicContact CD2-CD1 4.39Å; Y462-F528 HydrophobicContact CE1-CD1 4.23Å; Y462-F528 AromaticContact CE1-CE1 3.62Å; Y462-F528 HydrophobicContact CE1-CE1 3.62Å; Y462-F528 HydrophobicContact CE1-CZ 4.37Å; V492-F528 HydrophobicContact CG1-CD2 4.11Å; V492-F528 HydrophobicContact CG1-CE2 3.65Å; L510-F528 HydrophobicContact CB-CB 4.14Å; L510-F528 HydrophobicContact CB-CD1 4.3Å; L510-F528 HydrophobicContact CD2-CB 4.31Å; L510-F528 HydrophobicContact CD2-CD1 4.24Å; L510-F528 PolarHBondContact N-O 3Å; L510-F528 PolarHBondContact O-N 3.22Å; F528-D530 HydrophobicContact CE1-CB 3.77Å; F528-D530 HydrophobicContact CZ-CB 4.23Å; F528-N533 WeakPolarHBondContact CE2-OD1 3.46Å; F528-W535 HydrophobicContact CB-CD2 3.74Å; F528-W535 HydrophobicContact CB-CE3 3.59Å; F528-W535 HydrophobicContact CB-CH2 3.47Å; F528-W535 VanDerWaalsContact CB-CH2 3.47Å; F528-W535 HydrophobicContact CB-CZ2 3.61Å; F528-W535 HydrophobicContact CB-CZ3 3.46Å; F528-W535 VanDerWaalsContact CB-CZ3 3.46Å; F528-W535 HydrophobicContact CD2-CD2 4.21Å; F528-W535 AromaticContact CD2-CE2 3.81Å; F528-W535 HydrophobicContact CD2-CG 4.43Å; F528-W535 HydrophobicContact CD2-CZ2 4.13Å; F528-W535 AromaticContact CD2-NE1 3.83Å; F528-W535 HydrophobicContact CG-CD2 4.42Å; F528-W535 HydrophobicContact CG-CH2 4.27Å; F528-W535 AromaticContact CG-CZ2 3.96Å; F528-W535 HydrophobicContact CG-CZ2 3.96Å
529	D	96	Very high	96.6	Very high	49 Å²	49	50 Å²	50	26%	0.262	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.4	168.9	170	17	0	0	0	108.6	L509 V531 S532 N533 R534	L509-D529 HydrophobicContact CD2-CB 3.66Å; D529-V531 VanDerWaalsContact C-N 3.3Å; D529-V531 PolarHBondContact O-N 2.95Å; D529-V531 WeakPolarHBondContact OD1-CB 3.36Å; D529-V531 PolarHBondContact OD1-N 3.22Å; D529-S532 WeakPolarHBondContact CB-OG 3.47Å; D529-S532 VanDerWaalsContact CG-OG 3.28Å; D529-S532 VanDerWaalsContact OD2-CB 3.22Å; D529-S532 WeakPolarHBondContact OD2-CB 3.42Å; D529-S532 PolarHBondContact OD2-N 2.9Å; D529-S532 PolarHBondContact OD2-OG 3.29Å; D529-N533 WeakPolarHBondContact O-CA 3.48Å; D529-N533 PolarHBondContact O-N 3.06Å; D529-R534 PolarHBondContact N-O 2.83Å; D529-R534 PolarHBondContact O-N 2.81Å
530	D	94.3	Very high	97	Very high	48 Å²	48	48.2 Å²	48.2	26%	0.257	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.7	179.8	65.9	-62.2	0	0	0	113.2	L457 K458 F528	L457-D530 HydrophobicContact CD2-CB 4.07Å; K458-D530 VanDerWaalsContact CD-OD2 3.29Å; K458-D530 WeakPolarHBondContact CD-OD2 3.23Å; K458-D530 WeakPolarHBondContact CE-OD1 3.44Å; K458-D530 VanDerWaalsContact NZ-CG 3.29Å; K458-D530 IonicContact NZ-OD1 3.76Å; K458-D530 PolarHBondContact NZ-OD1 2.83Å; K458-D530 IonicContact NZ-OD2 3.92Å; K458-D530 PolarHBondContact NZ-OD2 3.09Å; K458-D530 VanDerWaalsContact NZ-OD2 3.1Å; F528-D530 HydrophobicContact CE1-CB 3.77Å; F528-D530 HydrophobicContact CZ-CB 4.23Å
531	V	92.7	Very high	97.2	Very high	116 Å²	116	43.1 Å²	43.1	70%	0.703	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-50.2	179.2	-178.7	0	0	0	0	110.2	D529 N533	D529-V531 VanDerWaalsContact C-N 3.3Å; D529-V531 PolarHBondContact O-N 2.95Å; D529-V531 WeakPolarHBondContact OD1-CB 3.36Å; D529-V531 PolarHBondContact OD1-N 3.22Å; V531-N533 VanDerWaalsContact C-N 3.31Å
532	S	95	Very high	97.2	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.1	175.1	66.5	0	0	0	0	113.5	D529 R534	D529-S532 WeakPolarHBondContact CB-OG 3.47Å; D529-S532 VanDerWaalsContact CG-OG 3.28Å; D529-S532 VanDerWaalsContact OD2-CB 3.22Å; D529-S532 WeakPolarHBondContact OD2-CB 3.42Å; D529-S532 PolarHBondContact OD2-N 2.9Å; D529-S532 PolarHBondContact OD2-OG 3.29Å; S532-R534 VanDerWaalsContact C-N 3.34Å; S532-R534 WeakPolarHBondContact O-CG 3.28Å; S532-R534 PolarHBondContact O-N 2.83Å
533	N	94.8	Very high	97.2	Very high	78 Å²	78	48.4 Å²	48.4	42%	0.417	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	51.2	-175.2	-170.7	38.6	0	0	0	111.9	V492 F528 D529 V531	V492-N533 WeakPolarHBondContact CG1-O 3.16Å; F528-N533 WeakPolarHBondContact CE2-OD1 3.46Å; D529-N533 WeakPolarHBondContact O-CA 3.48Å; D529-N533 PolarHBondContact O-N 3.06Å; V531-N533 VanDerWaalsContact C-N 3.31Å
534	R	97.7	Very high	97.2	Very high	174 Å²	174	52.1 Å²	52.1	66%	0.657	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.8	-175.9	-74.6	175.8	-172	-85.2	-0.4	112.2	D529 S532	D529-R534 PolarHBondContact N-O 2.83Å; D529-R534 PolarHBondContact O-N 2.81Å; S532-R534 VanDerWaalsContact C-N 3.34Å; S532-R534 WeakPolarHBondContact O-CG 3.28Å; S532-R534 PolarHBondContact O-N 2.83Å
535	W	98.5	Very high	97.2	Very high	13 Å²	13	51.8 Å²	51.8	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.7	170.6	-67.6	94.1	0	0	0	111.4	V478 V492 N493 M494 R495 L510 V512 E526 I527 F528	V478-W535 HydrophobicContact CG2-CZ2 3.84Å; V492-W535 PolarHBondContact O-NE1 2.82Å; N493-W535 PolarHBondContact O-NE1 2.59Å; M494-W535 HydrophobicContact CG-CD2 4.16Å; M494-W535 HydrophobicContact CG-CE3 4.35Å; M494-W535 HydrophobicContact CG-CH2 3.85Å; M494-W535 HydrophobicContact CG-CZ2 3.63Å; M494-W535 HydrophobicContact CG-CZ3 4.2Å; M494-W535 HydrophobicContact SD-CH2 4.41Å; R495-W535 HydrophobicContact CG-CB 3.89Å; R495-W535 PolarHBondContact NH1-O 2.83Å; R495-W535 VanDerWaalsContact NH1-O 3.16Å; L510-W535 HydrophobicContact CD2-CH2 3.91Å; V512-W535 HydrophobicContact CB-CZ3 4.26Å; V512-W535 HydrophobicContact CG2-CH2 3.6Å; V512-W535 HydrophobicContact CG2-CZ3 3.49Å; V512-W535 VanDerWaalsContact CG2-CZ3 3.49Å; E526-W535 HydrophobicContact CB-CE3 4.13Å; E526-W535 HydrophobicContact CG-CE3 3.7Å; E526-W535 HydrophobicContact CG-CZ3 3.98Å; I527-W535 CarbonylContact O-C 3.55Å; I527-W535 VanDerWaalsContact O-CA 3.3Å; I527-W535 WeakPolarHBondContact O-CA 3.3Å; F528-W535 HydrophobicContact CB-CD2 3.74Å; F528-W535 HydrophobicContact CB-CE3 3.59Å; F528-W535 HydrophobicContact CB-CH2 3.47Å; F528-W535 VanDerWaalsContact CB-CH2 3.47Å; F528-W535 HydrophobicContact CB-CZ2 3.61Å; F528-W535 HydrophobicContact CB-CZ3 3.46Å; F528-W535 VanDerWaalsContact CB-CZ3 3.46Å; F528-W535 HydrophobicContact CD2-CD2 4.21Å; F528-W535 AromaticContact CD2-CE2 3.81Å; F528-W535 HydrophobicContact CD2-CG 4.43Å; F528-W535 HydrophobicContact CD2-CZ2 4.13Å; F528-W535 AromaticContact CD2-NE1 3.83Å; F528-W535 HydrophobicContact CG-CD2 4.42Å; F528-W535 HydrophobicContact CG-CH2 4.27Å; F528-W535 AromaticContact CG-CZ2 3.96Å; F528-W535 HydrophobicContact CG-CZ2 3.96Å
536	S	97.7	Very high	97.2	Very high	61 Å²	61	55.2 Å²	55.2	43%	0.427	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.9	176.4	-64.2	0	0	0	0	110.4	E526 I527	E526-S536 CarbonylContact C-O 3.54Å; E526-S536 VanDerWaalsContact CA-O 3.26Å; E526-S536 WeakPolarHBondContact CA-O 3.34Å; I527-S536 PolarHBondContact N-O 2.78Å; I527-S536 PolarHBondContact O-N 2.76Å
537	D	97.6	Very high	97.2	Very high	70 Å²	70	55.8 Å²	55.8	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.6	171.5	-65.1	-66.5	0	0	0	109.2	R495	R495-D537 IonicContact CZ-OD2 3.94Å; R495-D537 VanDerWaalsContact CZ-OD2 3.23Å; R495-D537 IonicContact NE-OD1 2.85Å; R495-D537 IonicContact NE-OD2 3.19Å; R495-D537 PolarHBondContact NE-OD2 2.8Å; R495-D537 IonicContact NH2-OD2 2.69Å; R495-D537 PolarHBondContact NH2-OD2 3.14Å
538	V	96.2	Very high	97.2	Very high	13 Å²	13	55 Å²	55	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	171.1	168.4	-60.5	0	0	0	0	108.7	V525 I527 N540 F580	V525-V538 HydrophobicContact CB-CG2 3.63Å; V525-V538 HydrophobicContact CG1-CG2 3.41Å; V525-V538 VanDerWaalsContact CG1-CG2 3.41Å; V525-V538 PolarHBondContact O-N 3.42Å; I527-V538 HydrophobicContact CB-CG1 4.41Å; I527-V538 HydrophobicContact CD1-CG1 3.64Å; I527-V538 HydrophobicContact CG1-CG1 3.8Å; I527-V538 HydrophobicContact CG2-CG1 3.78Å; I527-V538 HydrophobicContact CG2-CG2 4.17Å; V538-N540 PolarHBondContact O-N 3.04Å; V538-F580 HydrophobicContact CG1-CE2 4.48Å
539	P	97.7	Very high	97.2	Very high	37 Å²	37	55.2 Å²	55.2	24%	0.24	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-49.3	139.4	179.9	-30.8	37.6	0	0	0	112.4	F575 F580 W582	P539-F575 HydrophobicContact CB-CE2 4.39Å; P539-F575 HydrophobicContact CG-CE2 4.14Å; P539-F580 VanDerWaalsContact CD-CZ 3.49Å; P539-F580 HydrophobicContact CG-CD1 3.71Å; P539-F580 HydrophobicContact CG-CE1 3.62Å; P539-F580 HydrophobicContact CG-CG 4.22Å; P539-F580 HydrophobicContact CG-CZ 4.05Å; P539-F580 WeakPolarHBondContact CG-O 3.42Å; P539-W582 VanDerWaalsContact O-CD1 3.24Å; P539-W582 PolarHBondContact O-NE1 2.94Å
540	N	98.4	Very high	97.3	Very high	88 Å²	88	53.7 Å²	53.7	47%	0.471	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-69.6	148.4	178.9	-63	-22.6	0	0	0	110.4	N523 S524 V538 W582	N523-N540 CarbonylContact O-C 3.57Å; N523-N540 WeakPolarHBondContact O-CA 3.5Å; S524-N540 VanDerWaalsContact CA-OD1 3.3Å; S524-N540 WeakPolarHBondContact CA-OD1 3.45Å; V538-N540 PolarHBondContact O-N 3.04Å; N540-W582 VanDerWaalsContact C-CD1 3.43Å
541	M	98.4	Very high	97.3	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-57	151.6	164.8	-64.8	179.6	-62	0	0	110.1	L513 N523 V525 S543 R545 A559 E573 W582	L513-M541 HydrophobicContact CB-CE 4.27Å; L513-M541 HydrophobicContact CB-SD 4.08Å; N523-M541 HydrophobicContact CB-CB 4.24Å; N523-M541 WeakPolarHBondContact CB-O 3.45Å; N523-M541 PolarHBondContact ND2-O 3.25Å; N523-M541 PolarHBondContact O-N 3.24Å; V525-M541 HydrophobicContact CG2-CE 4.49Å; V525-M541 HydrophobicContact CG2-CG 3.76Å; V525-M541 HydrophobicContact CG2-SD 4.42Å; M541-S543 VanDerWaalsContact C-N 3.32Å; M541-S543 WeakPolarHBondContact CB-O 3.22Å; M541-R545 HydrophobicContact CE-CB 4.14Å; M541-R545 HydrophobicContact CE-CG 4.21Å; M541-R545 HydrophobicContact SD-CG 4.49Å; M541-A559 HydrophobicContact SD-CB 3.57Å; M541-A559 VanDerWaalsContact SD-CB 3.57Å; M541-E573 WeakPolarHBondContact CB-OE2 3.35Å; M541-W582 HydrophobicContact CB-CD2 4.46Å; M541-W582 HydrophobicContact CG-CD2 3.88Å; M541-W582 HydrophobicContact CG-CE3 4.09Å; M541-W582 HydrophobicContact CG-CH2 3.98Å; M541-W582 HydrophobicContact CG-CZ2 3.76Å; M541-W582 HydrophobicContact CG-CZ3 4.14Å; M541-W582 HydrophobicContact SD-CH2 4.37Å
542	I	98	Very high	97.3	Very high	102 Å²	102	47.4 Å²	47.4	52%	0.523	25%	0.247	S	C	.	.	S	Bend	trans	-60.8	-44.9	175	-54.3	171.7	0	0	0	109.5	E573 W582 A584	I542-E573 WeakPolarHBondContact CA-OE2 3.46Å; I542-E573 HydrophobicContact CB-CG 4.49Å; I542-E573 VanDerWaalsContact CB-OE2 3.24Å; I542-E573 WeakPolarHBondContact CB-OE2 3.45Å; I542-E573 HydrophobicContact CD1-CG 4.3Å; I542-E573 WeakPolarHBondContact CG1-OE2 3.24Å; I542-E573 PolarHBondContact N-OE2 2.66Å; I542-W582 HydrophobicContact CG1-CB 4.18Å; I542-A584 HydrophobicContact CD1-CB 4.34Å
543	S	98	Very high	96.8	Very high	33 Å²	33	48.8 Å²	48.8	23%	0.231	24%	0.243	C	C	.	.	S	Bend	trans	-107.3	150.2	-179.8	-41.9	0	0	0	0	112.1	N523 M541 E573	N523-S543 VanDerWaalsContact CB-O 3.24Å; N523-S543 WeakPolarHBondContact CB-O 3.26Å; M541-S543 VanDerWaalsContact C-N 3.32Å; M541-S543 WeakPolarHBondContact CB-O 3.22Å; S543-E573 WeakPolarHBondContact CB-OE1 3.22Å; S543-E573 PolarHBondContact N-OE1 2.69Å; S543-E573 PolarHBondContact OG-OE1 2.85Å
544	R	98.6	Very high	96.1	Very high	116 Å²	116	47 Å²	47	44%	0.438	24%	0.243	S	C	.	.			trans	-72.1	137.1	167.6	-66.5	172.8	-175.4	-95.7	2.6	109.2	V521 N523 D564	V521-R544 HydrophobicContact CB-CB 4.34Å; V521-R544 HydrophobicContact CG1-CB 3.94Å; V521-R544 VanDerWaalsContact O-CD 3.31Å; V521-R544 WeakPolarHBondContact O-CD 3.38Å; V521-R544 PolarHBondContact O-NH1 3.27Å; N523-R544 HydrophobicContact CB-CB 4.45Å; N523-R544 HydrophobicContact CB-CG 3.97Å; R544-D564 VanDerWaalsContact O-CA 3.3Å; R544-D564 WeakPolarHBondContact O-CA 3.39Å; R544-D564 WeakPolarHBondContact O-CB 3.15Å
545	R	98.6	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.			trans	-146.5	112.6	-176.8	-48.8	-178.8	174.2	-103.6	-2	111.3	G514 G515 H522 M541 V548 G561 D563 L569 S571 E573	G514-R545 WeakPolarHBondContact CA-O 3.47Å; G515-R545 PolarHBondContact N-O 2.86Å; H522-R545 PolarHBondContact O-N 3.26Å; M541-R545 HydrophobicContact CE-CB 4.14Å; M541-R545 HydrophobicContact CE-CG 4.21Å; M541-R545 HydrophobicContact SD-CG 4.49Å; R545-V548 HydrophobicContact CB-CB 3.77Å; R545-V548 HydrophobicContact CB-CG1 4.36Å; R545-V548 HydrophobicContact CB-CG2 3.94Å; R545-V548 HydrophobicContact CG-CG2 4.4Å; R545-G561 WeakPolarHBondContact CD-O 3.27Å; R545-G561 PolarHBondContact NH1-O 3.5Å; R545-D563 CarbonylContact C-O 3.59Å; R545-D563 WeakPolarHBondContact CA-O 3.37Å; R545-L569 HydrophobicContact CG-CD1 3.91Å; R545-S571 PolarHBondContact NH1-O 3.36Å; R545-S571 PolarHBondContact NH2-O 2.83Å; R545-S571 PolarHBondContact NH2-OG 2.82Å; R545-E573 IonicContact CZ-OE1 3.1Å; R545-E573 IonicContact NE-OE1 3.41Å; R545-E573 PolarHBondContact NE-OE1 3.08Å; R545-E573 IonicContact NH2-OE1 2.68Å; R545-E573 PolarHBondContact NH2-OE1 2.8Å
546	R	98	Very high	95.2	Very high	72 Å²	72	43.3 Å²	43.3	27%	0.272	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-96.7	153	158.7	64.9	174.9	-177.4	-126.6	-3	110.1	H516 V521 V548 G562 D563	H516-R546 HydrophobicContact CB-CB 4.41Å; V521-R546 HydrophobicContact CG1-CB 3.98Å; V521-R546 HydrophobicContact CG1-CG 4.21Å; V521-R546 HydrophobicContact CG2-CG 4.22Å; R546-V548 PolarHBondContact O-N 3.06Å; R546-G562 WeakPolarHBondContact O-CA 3.39Å; R546-D563 HydrophobicContact CG-CB 3.91Å; R546-D563 WeakPolarHBondContact CG-O 3.45Å; R546-D563 IonicContact CZ-OD1 3.1Å; R546-D563 IonicContact CZ-OD2 3.53Å; R546-D563 PolarHBondContact N-O 3.16Å; R546-D563 IonicContact NE-OD1 2.93Å; R546-D563 PolarHBondContact NE-OD1 3.42Å; R546-D563 IonicContact NE-OD2 2.98Å; R546-D563 IonicContact NH1-OD1 3.84Å; R546-D563 IonicContact NH2-OD1 2.91Å; R546-D563 PolarHBondContact NH2-OD1 3.36Å; R546-D563 IonicContact NH2-OD2 2.79Å; R546-D563 PolarHBondContact NH2-OD2 3.26Å; R546-D563 PolarHBondContact O-N 2.84Å
547	N	98.2	Very high	95.1	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.07	22%	0.217	C	C	.	.	S	Bend	trans	54.1	39.2	178.5	-49.1	-49.8	0	0	0	112.1	G500 Y595	G500-N547 WeakPolarHBondContact CA-OD1 3.36Å; G500-N547 WeakPolarHBondContact O-CA 3.36Å; G500-N547 PolarHBondContact O-N 2.84Å; N547-Y595 HydrophobicContact CB-CD1 3.68Å; N547-Y595 HydrophobicContact CB-CD2 3.97Å; N547-Y595 HydrophobicContact CB-CE1 3.74Å; N547-Y595 HydrophobicContact CB-CE2 4.04Å; N547-Y595 HydrophobicContact CB-CG 3.8Å; N547-Y595 VanDerWaalsContact CG-CE2 3.48Å; N547-Y595 WeakPolarHBondContact ND2-CE2 3.19Å; N547-Y595 PolarHBondContact ND2-OH 3.19Å; N547-Y595 PolarHBondContact O-N 2.92Å; N547-Y595 WeakPolarHBondContact OD1-CE1 3.44Å; N547-Y595 PolarHBondContact OD1-OH 2.67Å; N547-Y595 VanDerWaalsContact OD1-OH 3.08Å
548	V	98.5	Very high	95.1	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	20%	0.202	C	C	.	.			trans	-79.2	141.7	-177.5	60.9	0	0	0	0	110.3	G502 L513 R545 R546 A559	G502-V548 VanDerWaalsContact N-CG1 3.33Å; L513-V548 HydrophobicContact CB-CG1 4.31Å; R545-V548 HydrophobicContact CB-CB 3.77Å; R545-V548 HydrophobicContact CB-CG1 4.36Å; R545-V548 HydrophobicContact CB-CG2 3.94Å; R545-V548 HydrophobicContact CG-CG2 4.4Å; R546-V548 PolarHBondContact O-N 3.06Å; V548-A559 HydrophobicContact CG2-CB 4.15Å
549	G	98.1	Very high	95.2	Very high	7 Å²	7	37.2 Å²	37.2	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.5	166.7	0	0	0	0	0	110.2	I560 V598	G549-I560 PolarHBondContact N-O 3.1Å; G549-I560 PolarHBondContact O-N 2.73Å; G549-V598 VanDerWaalsContact CA-CG2 3.5Å
550	A	97.8	Very high	95.2	Very high	17 Å²	17	35.7 Å²	35.7	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.7	175.1	0	0	0	0	0	110.7	V504 L513 Y558 V598	V504-A550 HydrophobicContact CB-CB 4.06Å; V504-A550 HydrophobicContact CG1-CB 4.11Å; L513-A550 HydrophobicContact CD1-CB 3.74Å; L513-A550 HydrophobicContact CG-CB 4.41Å; A550-Y558 WeakPolarHBondContact CA-O 3.48Å; A550-V598 WeakPolarHBondContact O-CG2 3.39Å
551	C	95.3	Very high	95.2	Very high	10 Å²	10	31.5 Å²	31.5	7%	0.068	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.5	169.4	68.3	0	0	0	0	110.5	L321 Y558 I560 L600	L321-C551 VanDerWaalsContact CD1-SG 3.56Å; C551-Y558 PolarHBondContact N-O 2.8Å; C551-Y558 PolarHBondContact O-N 2.82Å; C551-I560 VanDerWaalsContact SG-CD1 3.57Å; C551-L600 HydrophobicContact CB-CD2 4.47Å; C551-L600 HydrophobicContact CB-CG 4.13Å
552	A	91.7	Very high	95.2	Very high	22 Å²	22	31.5 Å²	31.5	18%	0.182	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.7	-178.7	0	0	0	0	0	110.5	V504 V505 A506 I556 L600	V504-A552 HydrophobicContact CG2-CB 3.56Å; V505-A552 WeakPolarHBondContact O-CB 3.44Å; A506-A552 HydrophobicContact CB-CB 3.83Å; A552-I556 CarbonylContact C-O 3.58Å; A552-I556 VanDerWaalsContact CA-O 3.22Å; A552-I556 WeakPolarHBondContact CA-O 3.34Å; A552-L600 WeakPolarHBondContact O-CD1 3.47Å
553	R	85	Confident	95.2	Very high	85 Å²	85	27.5 Å²	27.5	32%	0.321	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.4	174.3	180	-173.9	173.2	-177	0.1	107.7	A318 D555 I556 Y558 L600	A318-R553 HydrophobicContact CB-CG 4.43Å; R553-D555 PolarHBondContact O-N 3.06Å; R553-I556 PolarHBondContact N-O 3.4Å; R553-I556 WeakPolarHBondContact O-CB 3.49Å; R553-I556 PolarHBondContact O-N 3.14Å; R553-I556 VanDerWaalsContact O-N 3.15Å; R553-Y558 HydrophobicContact CB-CE2 3.98Å; R553-L600 HydrophobicContact CB-CD1 3.94Å
554	G	80.8	Confident	95.2	Very high	41 Å²	41	27.8 Å²	27.8	42%	0.423	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-125.1	-165.6	0	0	0	0	0	109.6
555	D	85.3	Confident	95	Very high	70 Å²	70	24.1 Å²	24.1	37%	0.374	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.8	-178.9	-46.1	-32.2	0	0	0	112.6	D507 R553 P577	D507-D555 HydrophobicContact CB-CB 4.28Å; R553-D555 PolarHBondContact O-N 3.06Å; D555-P577 HydrophobicContact CB-CG 4.15Å; D555-P577 VanDerWaalsContact O-CD 3.23Å; D555-P577 WeakPolarHBondContact O-CD 3.18Å; D555-P577 WeakPolarHBondContact O-CG 3.46Å
556	I	90.9	Very high	94.9	Very high	39 Å²	39	34.5 Å²	34.5	20%	0.2	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.2	-175.3	-56	-59.5	0	0	0	110.3	A552 R553 Y558 V574 D576	A552-I556 CarbonylContact C-O 3.58Å; A552-I556 VanDerWaalsContact CA-O 3.22Å; A552-I556 WeakPolarHBondContact CA-O 3.34Å; R553-I556 PolarHBondContact N-O 3.4Å; R553-I556 WeakPolarHBondContact O-CB 3.49Å; R553-I556 PolarHBondContact O-N 3.14Å; R553-I556 VanDerWaalsContact O-N 3.15Å; I556-Y558 HydrophobicContact CB-CE2 4.14Å; I556-Y558 HydrophobicContact CG2-CD2 4.23Å; I556-Y558 HydrophobicContact CG2-CE2 3.55Å; I556-V574 HydrophobicContact CG2-CG1 3.21Å; I556-D576 HydrophobicContact CD1-CB 3.76Å; I556-D576 VanDerWaalsContact CD1-CG 3.49Å
557	V	95.8	Very high	94.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.5	-178.2	177.4	0	0	0	0	110.9	V504 A506 Y511 L513 V574 F575 W582	V504-V557 HydrophobicContact CG1-CG1 3.8Å; V504-V557 HydrophobicContact CG1-CG2 4.48Å; A506-V557 HydrophobicContact CB-CG2 3.54Å; Y511-V557 HydrophobicContact CD1-CG2 4.09Å; Y511-V557 HydrophobicContact CD2-CG2 4.23Å; Y511-V557 HydrophobicContact CE1-CG2 4.21Å; Y511-V557 HydrophobicContact CE2-CG2 4.36Å; Y511-V557 HydrophobicContact CG-CG2 4.11Å; L513-V557 HydrophobicContact CD1-CG1 3.99Å; L513-V557 HydrophobicContact CD2-CG1 4.28Å; V557-V574 CarbonylContact O-C 3.59Å; V557-V574 WeakPolarHBondContact O-CA 3.42Å; V557-F575 HydrophobicContact CB-CB 4.27Å; V557-F575 PolarHBondContact N-O 3Å; V557-F575 PolarHBondContact O-N 2.98Å; V557-W582 HydrophobicContact CG1-CH2 4.04Å
558	Y	97.4	Very high	94.8	Very high	17 Å²	17	35 Å²	35	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131	179.7	-65.5	-108.3	0	0	0	110.7	F340 A550 C551 R553 I556 I572 E573 V574 F585	F340-Y558 HydrophobicContact CE1-CE1 4.16Å; F340-Y558 HydrophobicContact CZ-CE1 4.4Å; A550-Y558 WeakPolarHBondContact CA-O 3.48Å; C551-Y558 PolarHBondContact N-O 2.8Å; C551-Y558 PolarHBondContact O-N 2.82Å; R553-Y558 HydrophobicContact CB-CE2 3.98Å; I556-Y558 HydrophobicContact CB-CE2 4.14Å; I556-Y558 HydrophobicContact CG2-CD2 4.23Å; I556-Y558 HydrophobicContact CG2-CE2 3.55Å; Y558-I572 HydrophobicContact CD1-CG2 4.16Å; Y558-E573 CarbonylContact C-O 3.56Å; Y558-E573 WeakPolarHBondContact CA-O 3.19Å; Y558-V574 HydrophobicContact CD1-CG2 3.3Å; Y558-V574 HydrophobicContact CE1-CG2 3.31Å; Y558-V574 HydrophobicContact CG-CG2 3.98Å; Y558-F585 HydrophobicContact CE1-CD2 4.12Å; Y558-F585 HydrophobicContact CE1-CE2 4.17Å
559	A	98.5	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.2	169.5	0	0	0	0	0	109.5	L513 M541 V548 I572 E573 W582	L513-A559 HydrophobicContact CD1-CB 4.03Å; M541-A559 HydrophobicContact SD-CB 3.57Å; M541-A559 VanDerWaalsContact SD-CB 3.57Å; V548-A559 HydrophobicContact CG2-CB 4.15Å; A559-I572 WeakPolarHBondContact O-CA 3.36Å; A559-E573 HydrophobicContact CB-CB 4.49Å; A559-E573 PolarHBondContact N-O 3.48Å; A559-E573 PolarHBondContact O-N 3.27Å; A559-W582 HydrophobicContact CB-CH2 4.13Å; A559-W582 HydrophobicContact CB-CZ3 3.75Å
560	I	98.4	Very high	94.8	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.9	-165.3	-58.2	121.9	0	0	0	110.2	L321 V323 G549 C551 I572 M589 V598	L321-I560 HydrophobicContact CD1-CD1 4.08Å; L321-I560 HydrophobicContact CD2-CD1 3.97Å; L321-I560 HydrophobicContact CD2-CG1 3.77Å; L321-I560 HydrophobicContact CD2-CG2 4.28Å; V323-I560 HydrophobicContact CG2-CG2 3.98Å; G549-I560 PolarHBondContact N-O 3.1Å; G549-I560 PolarHBondContact O-N 2.73Å; C551-I560 VanDerWaalsContact SG-CD1 3.57Å; I560-I572 HydrophobicContact CB-CG1 4.45Å; I560-I572 HydrophobicContact CG1-CD1 4.46Å; I560-I572 HydrophobicContact CG1-CG1 4.25Å; I560-I572 HydrophobicContact CG1-CG2 4.1Å; I560-I572 HydrophobicContact CG2-CD1 4.33Å; I560-I572 HydrophobicContact CG2-CG1 4.15Å; I560-M589 HydrophobicContact CG2-CE 3.97Å; I560-M589 HydrophobicContact CG2-CG 4.5Å; I560-M589 HydrophobicContact CG2-SD 3.48Å; I560-M589 WeakPolarHBondContact CG2-SD 3.14Å; I560-V598 HydrophobicContact CB-CG1 4.22Å; I560-V598 HydrophobicContact CD1-CB 4.45Å; I560-V598 HydrophobicContact CD1-CG1 4.42Å; I560-V598 HydrophobicContact CD1-CG2 4.44Å; I560-V598 HydrophobicContact CG2-CG1 4.02Å
561	G	98.3	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.			trans	58.4	-139	179	0	0	0	0	0	113.6	R545 L569 S571 M589	R545-G561 WeakPolarHBondContact CD-O 3.27Å; R545-G561 PolarHBondContact NH1-O 3.5Å; G561-L569 WeakPolarHBondContact CA-O 3.41Å; G561-S571 PolarHBondContact N-O 3.44Å; G561-M589 VanDerWaalsContact CA-CE 3.41Å
562	G	98.3	Very high	95	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.213	C	C	.	.			trans	95.7	-167.9	-171.4	0	0	0	0	0	111.9	R546 N568 L569 R593	R546-G562 WeakPolarHBondContact O-CA 3.39Å; G562-N568 CarbonylContact O-C 3.58Å; G562-N568 WeakPolarHBondContact O-CA 3.42Å; G562-L569 PolarHBondContact O-N 2.79Å; G562-R593 PolarHBondContact N-O 3.33Å
563	D	97.8	Very high	95.3	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.102	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-129	132.1	-177.1	172.8	-47.8	0	0	0	109.1	R545 R546 G565 S567	R545-D563 CarbonylContact C-O 3.59Å; R545-D563 WeakPolarHBondContact CA-O 3.37Å; R546-D563 HydrophobicContact CG-CB 3.91Å; R546-D563 WeakPolarHBondContact CG-O 3.45Å; R546-D563 IonicContact CZ-OD1 3.1Å; R546-D563 IonicContact CZ-OD2 3.53Å; R546-D563 PolarHBondContact N-O 3.16Å; R546-D563 IonicContact NE-OD1 2.93Å; R546-D563 PolarHBondContact NE-OD1 3.42Å; R546-D563 IonicContact NE-OD2 2.98Å; R546-D563 IonicContact NH1-OD1 3.84Å; R546-D563 IonicContact NH2-OD1 2.91Å; R546-D563 PolarHBondContact NH2-OD1 3.36Å; R546-D563 IonicContact NH2-OD2 2.79Å; R546-D563 PolarHBondContact NH2-OD2 3.26Å; R546-D563 PolarHBondContact O-N 2.84Å; D563-G565 WeakPolarHBondContact OD1-CA 3.37Å; D563-G565 PolarHBondContact OD1-N 3.24Å; D563-S567 WeakPolarHBondContact CA-O 3.31Å
564	D	97.5	Very high	95.8	Very high	39 Å²	39	34.8 Å²	34.8	21%	0.209	20%	0.196	C	C	.	.			trans	-90.6	0.6	-175.2	65.1	0.3	0	0	0	114.6	R544 Y566 S567 L569	R544-D564 VanDerWaalsContact O-CA 3.3Å; R544-D564 WeakPolarHBondContact O-CA 3.39Å; R544-D564 WeakPolarHBondContact O-CB 3.15Å; D564-Y566 WeakPolarHBondContact OD1-CA 3.35Å; D564-Y566 WeakPolarHBondContact OD1-CB 3.33Å; D564-Y566 PolarHBondContact OD1-N 3.22Å; D564-S567 PolarHBondContact N-O 3.02Å; D564-S567 PolarHBondContact OD1-N 2.84Å; D564-L569 HydrophobicContact CB-CD1 4.19Å; D564-L569 HydrophobicContact CB-CD2 4.12Å; D564-L569 HydrophobicContact CB-CG 4.28Å
565	G	95.4	Very high	96.6	Very high	38 Å²	38	33 Å²	33	39%	0.392	18%	0.176	S	C	.	.	S	Bend	trans	104.8	-20.3	-170.7	0	0	0	0	0	113.4	D563	D563-G565 WeakPolarHBondContact OD1-CA 3.37Å; D563-G565 PolarHBondContact OD1-N 3.24Å
566	Y	95.4	Very high	96.8	Very high	218 Å²	218	31.4 Å²	31.4	86%	0.855	17%	0.168	S	C	*	.	S	Bend	trans	-117.4	-40.4	-177.9	-58	-81.4	0	0	0	112.5	D564	D564-Y566 WeakPolarHBondContact OD1-CA 3.35Å; D564-Y566 WeakPolarHBondContact OD1-CB 3.33Å; D564-Y566 PolarHBondContact OD1-N 3.22Å
567	S	96.9	Very high	96.6	Very high	60 Å²	60	31.2 Å²	31.2	42%	0.42	17%	0.169	S	C	.	.	S	Bend	trans	-151.7	163.7	-174	71	0	0	0	0	113	D563 D564	D563-S567 WeakPolarHBondContact CA-O 3.31Å; D564-S567 PolarHBondContact N-O 3.02Å; D564-S567 PolarHBondContact OD1-N 2.84Å
568	N	98.2	Very high	96.2	Very high	37 Å²	37	39.9 Å²	39.9	20%	0.198	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-78.5	129.9	170.8	-65.9	-63.7	0	0	0	110.1	Q327 G562 S594	Q327-N568 PolarHBondContact O-ND2 2.99Å; G562-N568 CarbonylContact O-C 3.58Å; G562-N568 WeakPolarHBondContact O-CA 3.42Å; N568-S594 WeakPolarHBondContact OD1-CB 3.33Å; N568-S594 PolarHBondContact OD1-N 2.96Å; N568-S594 PolarHBondContact OD1-OG 2.72Å
569	L	98.5	Very high	95.8	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.11	23%	0.225	C	C	.	.			trans	-86.1	143.1	-178.1	-59.2	176.8	0	0	0	111.6	R545 G561 G562 D564 G592 R593	R545-L569 HydrophobicContact CG-CD1 3.91Å; G561-L569 WeakPolarHBondContact CA-O 3.41Å; G562-L569 PolarHBondContact O-N 2.79Å; D564-L569 HydrophobicContact CB-CD1 4.19Å; D564-L569 HydrophobicContact CB-CD2 4.12Å; D564-L569 HydrophobicContact CB-CG 4.28Å; L569-G592 CarbonylContact O-C 3.6Å; L569-G592 VanDerWaalsContact O-CA 3.28Å; L569-G592 WeakPolarHBondContact O-CA 3.31Å; L569-R593 PolarHBondContact O-N 2.69Å; L569-R593 VanDerWaalsContact O-N 3.07Å
570	N	98.1	Very high	95.6	Very high	71 Å²	71	49.5 Å²	49.5	38%	0.38	25%	0.251	S	S	.	.			trans	-102.5	-8.5	167.1	73.6	-20.8	0	0	0	113.2	M589	N570-M589 HydrophobicContact CB-CB 4.32Å; N570-M589 WeakPolarHBondContact CB-O 3.13Å; N570-M589 PolarHBondContact ND2-O 3.45Å; N570-M589 WeakPolarHBondContact O-CB 3.43Å; N570-M589 PolarHBondContact O-N 2.86Å
571	S	98.2	Very high	95.4	Very high	27 Å²	27	51.4 Å²	51.4	19%	0.189	26%	0.264	C	S	.	.			trans	-71.9	149.5	-178	56.3	0	0	0	0	111.8	R545 G561	R545-S571 PolarHBondContact NH1-O 3.36Å; R545-S571 PolarHBondContact NH2-O 2.83Å; R545-S571 PolarHBondContact NH2-OG 2.82Å; G561-S571 PolarHBondContact N-O 3.44Å
572	I	98.3	Very high	95.4	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.6	170.7	-62.1	174.1	0	0	0	107.5	L321 W345 Y558 A559 I560 F585 M589	L321-I572 HydrophobicContact CD2-CD1 4.12Å; W345-I572 HydrophobicContact CH2-CD1 4.09Å; W345-I572 HydrophobicContact CZ2-CD1 3.58Å; Y558-I572 HydrophobicContact CD1-CG2 4.16Å; A559-I572 WeakPolarHBondContact O-CA 3.36Å; I560-I572 HydrophobicContact CB-CG1 4.45Å; I560-I572 HydrophobicContact CG1-CD1 4.46Å; I560-I572 HydrophobicContact CG1-CG1 4.25Å; I560-I572 HydrophobicContact CG1-CG2 4.1Å; I560-I572 HydrophobicContact CG2-CD1 4.33Å; I560-I572 HydrophobicContact CG2-CG1 4.15Å; I572-F585 HydrophobicContact CB-CB 4Å; I572-F585 HydrophobicContact CB-CD1 4.29Å; I572-F585 HydrophobicContact CG2-CB 3.78Å; I572-F585 HydrophobicContact CG2-CD1 4.21Å; I572-F585 HydrophobicContact CG2-CG 4.15Å; I572-F585 PolarHBondContact O-N 2.95Å; I572-M589 HydrophobicContact CD1-CG 3.93Å; I572-M589 HydrophobicContact CG1-CG 4.18Å
573	E	97.7	Very high	95.3	Very high	4 Å²	4	57 Å²	57	2%	0.019	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.2	173.2	-64.1	171.4	-137	0	0	109.8	M541 I542 S543 R545 Y558 A559 W582 K583	M541-E573 WeakPolarHBondContact CB-OE2 3.35Å; I542-E573 WeakPolarHBondContact CA-OE2 3.46Å; I542-E573 HydrophobicContact CB-CG 4.49Å; I542-E573 VanDerWaalsContact CB-OE2 3.24Å; I542-E573 WeakPolarHBondContact CB-OE2 3.45Å; I542-E573 HydrophobicContact CD1-CG 4.3Å; I542-E573 WeakPolarHBondContact CG1-OE2 3.24Å; I542-E573 PolarHBondContact N-OE2 2.66Å; S543-E573 WeakPolarHBondContact CB-OE1 3.22Å; S543-E573 PolarHBondContact N-OE1 2.69Å; S543-E573 PolarHBondContact OG-OE1 2.85Å; R545-E573 IonicContact CZ-OE1 3.1Å; R545-E573 IonicContact NE-OE1 3.41Å; R545-E573 PolarHBondContact NE-OE1 3.08Å; R545-E573 IonicContact NH2-OE1 2.68Å; R545-E573 PolarHBondContact NH2-OE1 2.8Å; Y558-E573 CarbonylContact C-O 3.56Å; Y558-E573 WeakPolarHBondContact CA-O 3.19Å; A559-E573 HydrophobicContact CB-CB 4.49Å; A559-E573 PolarHBondContact N-O 3.48Å; A559-E573 PolarHBondContact O-N 3.27Å; E573-W582 HydrophobicContact CB-CE3 3.77Å; E573-W582 HydrophobicContact CB-CZ3 4.26Å; E573-K583 CarbonylContact C-O 3.55Å; E573-K583 VanDerWaalsContact CA-O 3.31Å; E573-K583 WeakPolarHBondContact CA-O 3.46Å
574	V	96.6	Very high	95.2	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.127	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132	-176.2	173.6	0	0	0	0	109.7	I556 V557 Y558 W582 K583 F585	I556-V574 HydrophobicContact CG2-CG1 3.21Å; V557-V574 CarbonylContact O-C 3.59Å; V557-V574 WeakPolarHBondContact O-CA 3.42Å; Y558-V574 HydrophobicContact CD1-CG2 3.3Å; Y558-V574 HydrophobicContact CE1-CG2 3.31Å; Y558-V574 HydrophobicContact CG-CG2 3.98Å; V574-W582 CarbonylContact O-C 3.54Å; V574-W582 WeakPolarHBondContact O-CA 3.47Å; V574-K583 PolarHBondContact N-O 2.91Å; V574-K583 PolarHBondContact O-N 2.92Å; V574-F585 HydrophobicContact CG2-CB 3.79Å; V574-F585 HydrophobicContact CG2-CD2 3.74Å; V574-F585 HydrophobicContact CG2-CG 4.06Å
575	F	97	Very high	95	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.013	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120	171.3	-178.5	-103.4	0	0	0	109.4	Y511 P539 V557 P577 F580 C581 W582	Y511-F575 HydrophobicContact CE1-CD1 4.1Å; Y511-F575 HydrophobicContact CE1-CE1 4.01Å; P539-F575 HydrophobicContact CB-CE2 4.39Å; P539-F575 HydrophobicContact CG-CE2 4.14Å; V557-F575 HydrophobicContact CB-CB 4.27Å; V557-F575 PolarHBondContact N-O 3Å; V557-F575 PolarHBondContact O-N 2.98Å; F575-P577 HydrophobicContact CD1-CG 4.19Å; F575-P577 HydrophobicContact CE1-CB 4.22Å; F575-P577 HydrophobicContact CE1-CG 4.01Å; F575-F580 HydrophobicContact CE2-CD2 4.49Å; F575-F580 AromaticContact CZ-CD2 3.87Å; F575-F580 HydrophobicContact CZ-CD2 3.87Å; F575-F580 HydrophobicContact CZ-CE2 4.26Å; F575-C581 WeakPolarHBondContact CD2-O 3.24Å; F575-W582 HydrophobicContact CB-CD2 3.71Å; F575-W582 HydrophobicContact CB-CE3 3.81Å; F575-W582 HydrophobicContact CB-CG 4.37Å; F575-W582 HydrophobicContact CB-CH2 3.8Å; F575-W582 HydrophobicContact CB-CZ2 3.68Å; F575-W582 HydrophobicContact CB-CZ3 3.87Å; F575-W582 AromaticContact CD2-CD1 3.79Å; F575-W582 HydrophobicContact CD2-CD2 4.24Å; F575-W582 AromaticContact CD2-CE2 3.93Å; F575-W582 HydrophobicContact CD2-CG 4.16Å; F575-W582 AromaticContact CD2-NE1 3.64Å; F575-W582 HydrophobicContact CG-CD2 4.42Å; F575-W582 HydrophobicContact CG-CZ2 4.23Å
576	D	89.2	Confident	94.6	Very high	37 Å²	37	63.1 Å²	63.1	20%	0.198	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.7	168.2	-174.2	-19.3	0	0	0	108.7	I556 K578 E579 F580	I556-D576 HydrophobicContact CD1-CB 3.76Å; I556-D576 VanDerWaalsContact CD1-CG 3.49Å; D576-K578 PolarHBondContact O-N 2.96Å; D576-K578 VanDerWaalsContact OD1-CB 3.29Å; D576-K578 WeakPolarHBondContact OD1-CB 3.19Å; D576-K578 PolarHBondContact OD1-N 3.42Å; D576-E579 HydrophobicContact CB-CB 4.2Å; D576-E579 HydrophobicContact CB-CG 4.26Å; D576-E579 PolarHBondContact O-N 2.96Å; D576-F580 PolarHBondContact O-N 3.04Å
577	P	86.2	Confident	94.5	Very high	36 Å²	36	54.8 Å²	54.8	23%	0.234	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.9	177	-24.8	34.7	0	0	0	113.9	D555 F575	D555-P577 HydrophobicContact CB-CG 4.15Å; D555-P577 VanDerWaalsContact O-CD 3.23Å; D555-P577 WeakPolarHBondContact O-CD 3.18Å; D555-P577 WeakPolarHBondContact O-CG 3.46Å; F575-P577 HydrophobicContact CD1-CG 4.19Å; F575-P577 HydrophobicContact CE1-CB 4.22Å; F575-P577 HydrophobicContact CE1-CG 4.01Å
578	K	87.9	Confident	94.4	Very high	181 Å²	181	54.3 Å²	54.3	79%	0.787	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-38.5	179.4	-63.1	178.1	179.2	173.8	0	112	D576	D576-K578 PolarHBondContact O-N 2.96Å; D576-K578 VanDerWaalsContact OD1-CB 3.29Å; D576-K578 WeakPolarHBondContact OD1-CB 3.19Å; D576-K578 PolarHBondContact OD1-N 3.42Å
579	E	89.2	Confident	94.4	Very high	98 Å²	98	52.7 Å²	52.7	46%	0.458	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.5	176.7	-59.9	-176.5	142.2	0	0	112.6	D576 C581 K583	D576-E579 HydrophobicContact CB-CB 4.2Å; D576-E579 HydrophobicContact CB-CG 4.26Å; D576-E579 PolarHBondContact O-N 2.96Å; E579-C581 VanDerWaalsContact C-N 3.27Å; E579-C581 PolarHBondContact O-N 3.18Å; E579-K583 IonicContact OE1-NZ 2.66Å; E579-K583 PolarHBondContact OE1-NZ 2.81Å; E579-K583 WeakPolarHBondContact OE2-CE 3.45Å; E579-K583 IonicContact OE2-NZ 3.2Å; E579-K583 PolarHBondContact OE2-NZ 2.9Å
580	F	93.7	Very high	94.3	Very high	122 Å²	122	55.2 Å²	55.2	54%	0.535	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	43.7	178.9	-158.7	-111.1	0	0	0	112.9	V538 P539 F575 D576	V538-F580 HydrophobicContact CG1-CE2 4.48Å; P539-F580 VanDerWaalsContact CD-CZ 3.49Å; P539-F580 HydrophobicContact CG-CD1 3.71Å; P539-F580 HydrophobicContact CG-CE1 3.62Å; P539-F580 HydrophobicContact CG-CG 4.22Å; P539-F580 HydrophobicContact CG-CZ 4.05Å; P539-F580 WeakPolarHBondContact CG-O 3.42Å; F575-F580 HydrophobicContact CE2-CD2 4.49Å; F575-F580 AromaticContact CZ-CD2 3.87Å; F575-F580 HydrophobicContact CZ-CD2 3.87Å; F575-F580 HydrophobicContact CZ-CE2 4.26Å; D576-F580 PolarHBondContact O-N 3.04Å
581	C	95.2	Very high	94.3	Very high	45 Å²	45	53.9 Å²	53.9	30%	0.304	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.2	176.7	66.9	0	0	0	0	112.1	F575 E579	F575-C581 WeakPolarHBondContact CD2-O 3.24Å; E579-C581 VanDerWaalsContact C-N 3.27Å; E579-C581 PolarHBondContact O-N 3.18Å
582	W	98	Very high	94.3	Very high	20 Å²	20	53.4 Å²	53.4	8%	0.076	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134	170.9	-71.5	87.8	0	0	0	110.4	L513 V525 P539 N540 M541 I542 V557 A559 E573 V574 F575	L513-W582 HydrophobicContact CD1-CH2 4.06Å; L513-W582 HydrophobicContact CD2-CH2 4.05Å; L513-W582 HydrophobicContact CD2-CZ2 4.05Å; V525-W582 HydrophobicContact CG1-CZ2 4.38Å; V525-W582 HydrophobicContact CG2-CZ2 3.76Å; P539-W582 VanDerWaalsContact O-CD1 3.24Å; P539-W582 PolarHBondContact O-NE1 2.94Å; N540-W582 VanDerWaalsContact C-CD1 3.43Å; M541-W582 HydrophobicContact CB-CD2 4.46Å; M541-W582 HydrophobicContact CG-CD2 3.88Å; M541-W582 HydrophobicContact CG-CE3 4.09Å; M541-W582 HydrophobicContact CG-CH2 3.98Å; M541-W582 HydrophobicContact CG-CZ2 3.76Å; M541-W582 HydrophobicContact CG-CZ3 4.14Å; M541-W582 HydrophobicContact SD-CH2 4.37Å; I542-W582 HydrophobicContact CG1-CB 4.18Å; V557-W582 HydrophobicContact CG1-CH2 4.04Å; A559-W582 HydrophobicContact CB-CH2 4.13Å; A559-W582 HydrophobicContact CB-CZ3 3.75Å; E573-W582 HydrophobicContact CB-CE3 3.77Å; E573-W582 HydrophobicContact CB-CZ3 4.26Å; V574-W582 CarbonylContact O-C 3.54Å; V574-W582 WeakPolarHBondContact O-CA 3.47Å; F575-W582 HydrophobicContact CB-CD2 3.71Å; F575-W582 HydrophobicContact CB-CE3 3.81Å; F575-W582 HydrophobicContact CB-CG 4.37Å; F575-W582 HydrophobicContact CB-CH2 3.8Å; F575-W582 HydrophobicContact CB-CZ2 3.68Å; F575-W582 HydrophobicContact CB-CZ3 3.87Å; F575-W582 AromaticContact CD2-CD1 3.79Å; F575-W582 HydrophobicContact CD2-CD2 4.24Å; F575-W582 AromaticContact CD2-CE2 3.93Å; F575-W582 HydrophobicContact CD2-CG 4.16Å; F575-W582 AromaticContact CD2-NE1 3.64Å; F575-W582 HydrophobicContact CG-CD2 4.42Å; F575-W582 HydrophobicContact CG-CZ2 4.23Å
583	K	96.6	Very high	94.3	Very high	99 Å²	99	53.4 Å²	53.4	43%	0.43	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.4	175	-68.6	178.6	174	176.5	0	110.2	E573 V574 E579 F585	E573-K583 CarbonylContact C-O 3.55Å; E573-K583 VanDerWaalsContact CA-O 3.31Å; E573-K583 WeakPolarHBondContact CA-O 3.46Å; V574-K583 PolarHBondContact N-O 2.91Å; V574-K583 PolarHBondContact O-N 2.92Å; E579-K583 IonicContact OE1-NZ 2.66Å; E579-K583 PolarHBondContact OE1-NZ 2.81Å; E579-K583 WeakPolarHBondContact OE2-CE 3.45Å; E579-K583 IonicContact OE2-NZ 3.2Å; E579-K583 PolarHBondContact OE2-NZ 2.9Å; K583-F585 PolarHBondContact O-N 3.4Å
584	A	96.5	Very high	94.3	Very high	75 Å²	75	53.3 Å²	53.3	62%	0.62	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.9	169	0	0	0	0	0	109.3	I542	I542-A584 HydrophobicContact CD1-CB 4.34Å
585	F	92.9	Very high	94.4	Very high	39 Å²	39	54.5 Å²	54.5	17%	0.171	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135	176.5	-177.3	-83.8	0	0	0	110.3	L338 Y558 I572 V574 K583	L338-F585 HydrophobicContact CD1-CE1 4.47Å; L338-F585 HydrophobicContact CD2-CD1 4.37Å; L338-F585 HydrophobicContact CD2-CE1 3.42Å; L338-F585 VanDerWaalsContact CD2-CE1 3.42Å; L338-F585 HydrophobicContact CD2-CZ 3.83Å; Y558-F585 HydrophobicContact CE1-CD2 4.12Å; Y558-F585 HydrophobicContact CE1-CE2 4.17Å; I572-F585 HydrophobicContact CB-CB 4Å; I572-F585 HydrophobicContact CB-CD1 4.29Å; I572-F585 HydrophobicContact CG2-CB 3.78Å; I572-F585 HydrophobicContact CG2-CD1 4.21Å; I572-F585 HydrophobicContact CG2-CG 4.15Å; I572-F585 PolarHBondContact O-N 2.95Å; V574-F585 HydrophobicContact CG2-CB 3.79Å; V574-F585 HydrophobicContact CG2-CD2 3.74Å; V574-F585 HydrophobicContact CG2-CG 4.06Å; K583-F585 PolarHBondContact O-N 3.4Å
586	T	87.3	Confident	94.4	Very high	110 Å²	110	55.2 Å²	55.2	68%	0.675	30%	0.303	S	S	*	.	S	Bend	trans	-118.5	143.5	175	53.2	0	0	0	0	110.3
587	P	92.6	Very high	94.9	Very high	43 Å²	43	53.6 Å²	53.6	28%	0.279	30%	0.295	S	S	.	.	S	Bend	cis	-79	148.3	-1.1	31.3	-35.1	0	0	0	114.2	L338 S343 W345	L338-P587 HydrophobicContact CD1-CG 4.13Å; S343-P587 WeakPolarHBondContact O-CD 3.41Å; S343-P587 VanDerWaalsContact O-CG 3.26Å; S343-P587 WeakPolarHBondContact O-CG 3.38Å; W345-P587 PolarHBondContact NE1-O 3.42Å
588	S	95.7	Very high	95.4	Very high	50 Å²	50	53 Å²	53	35%	0.35	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-62.8	159.3	170	-63.3	0	0	0	0	112	W345	W345-S588 PolarHBondContact NE1-O 3.09Å
589	M	97.8	Very high	95.8	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.015	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.6	148.1	176.2	-63.5	-172.8	-70.3	0	0	111.9	V323 W345 I560 G561 N570 I572 I591 R593	V323-M589 HydrophobicContact CB-SD 4.35Å; V323-M589 HydrophobicContact CG1-SD 3.92Å; V323-M589 HydrophobicContact CG2-SD 3.94Å; W345-M589 HydrophobicContact CH2-CG 3.67Å; W345-M589 HydrophobicContact CZ2-CB 4.25Å; W345-M589 HydrophobicContact CZ2-CG 3.6Å; I560-M589 HydrophobicContact CG2-CE 3.97Å; I560-M589 HydrophobicContact CG2-CG 4.5Å; I560-M589 HydrophobicContact CG2-SD 3.48Å; I560-M589 WeakPolarHBondContact CG2-SD 3.14Å; G561-M589 VanDerWaalsContact CA-CE 3.41Å; N570-M589 HydrophobicContact CB-CB 4.32Å; N570-M589 WeakPolarHBondContact CB-O 3.13Å; N570-M589 PolarHBondContact ND2-O 3.45Å; N570-M589 WeakPolarHBondContact O-CB 3.43Å; N570-M589 PolarHBondContact O-N 2.86Å; I572-M589 HydrophobicContact CD1-CG 3.93Å; I572-M589 HydrophobicContact CG1-CG 4.18Å; M589-I591 VanDerWaalsContact C-N 3.26Å; M589-I591 PolarHBondContact O-N 2.86Å; M589-R593 HydrophobicContact CE-CG 4.39Å
590	P	96.2	Very high	95.9	Very high	74 Å²	74	41.6 Å²	41.6	48%	0.481	24%	0.242	S	C	.	.	S	Bend	trans	-60.4	-34.2	174.5	-24.5	34.1	0	0	0	113.4	W345	W345-P590 HydrophobicContact CB-CG 3.89Å; W345-P590 HydrophobicContact CD2-CG 4.3Å; W345-P590 HydrophobicContact CG-CG 4Å
591	I	97.3	Very high	95.6	Very high	43 Å²	43	36.1 Å²	36.1	22%	0.221	22%	0.218	C	C	.	.	S	Bend	trans	-124	129.6	-177.4	-58.9	171.4	0	0	0	109.7	I332 E334 M589	I332-I591 HydrophobicContact CD1-CG2 4.19Å; E334-I591 HydrophobicContact CB-CD1 3.86Å; E334-I591 HydrophobicContact CG-CD1 3.74Å; M589-I591 VanDerWaalsContact C-N 3.26Å; M589-I591 PolarHBondContact O-N 2.86Å
592	G	98.2	Very high	94.5	Very high	17 Å²	17	36.5 Å²	36.5	18%	0.175	22%	0.219	C	C	.	.			trans	-74.6	122.9	169.6	0	0	0	0	0	111.1	S328 L569	S328-G592 VanDerWaalsContact CB-O 3.23Å; S328-G592 WeakPolarHBondContact CB-O 3.39Å; S328-G592 PolarHBondContact OG-O 3.42Å; L569-G592 CarbonylContact O-C 3.6Å; L569-G592 VanDerWaalsContact O-CA 3.28Å; L569-G592 WeakPolarHBondContact O-CA 3.31Å
593	R	98.5	Very high	92.5	Very high	2 Å²	2	37 Å²	37	1%	0.008	22%	0.223	C	C	.	.			trans	-153.1	149.4	-172.5	56.9	-173.9	150.5	-157.1	-9.9	113.1	V323 G325 Q327 I332 D336 G562 L569 M589 A596	V323-R593 VanDerWaalsContact CG1-CZ 3.48Å; G325-R593 WeakPolarHBondContact O-CD 3.39Å; Q327-R593 WeakPolarHBondContact O-CA 3.01Å; I332-R593 HydrophobicContact CD1-CB 4.49Å; D336-R593 IonicContact OD2-CZ 3.19Å; D336-R593 IonicContact OD2-NH1 3.28Å; D336-R593 PolarHBondContact OD2-NH1 2.87Å; D336-R593 IonicContact OD2-NH2 3.57Å; D336-R593 PolarHBondContact OD2-NH2 3.42Å; G562-R593 PolarHBondContact N-O 3.33Å; L569-R593 PolarHBondContact O-N 2.69Å; L569-R593 VanDerWaalsContact O-N 3.07Å; M589-R593 HydrophobicContact CE-CG 4.39Å; R593-A596 HydrophobicContact CG-CB 4.11Å
594	S	98.2	Very high	90.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-116.1	167.9	168.8	61.1	0	0	0	0	111.1	G326 Q327 N568 A596	G326-S594 CarbonylContact C-O 3.6Å; G326-S594 WeakPolarHBondContact CA-O 3.44Å; Q327-S594 PolarHBondContact N-O 3.44Å; Q327-S594 PolarHBondContact O-N 3.49Å; N568-S594 WeakPolarHBondContact OD1-CB 3.33Å; N568-S594 PolarHBondContact OD1-N 2.96Å; N568-S594 PolarHBondContact OD1-OG 2.72Å; S594-A596 PolarHBondContact O-N 2.98Å
595	Y	98.2	Very high	87.5	Confident	46 Å²	46	36.6 Å²	36.6	18%	0.18	21%	0.205	C	C	.	.	S	Bend	trans	54.4	27	-179.1	-71.8	-66.3	0	0	0	114.2	R357 T404 N547	R357-Y595 HydrophobicContact CB-CD1 4.17Å; R357-Y595 HydrophobicContact CB-CG 4.43Å; R357-Y595 HydrophobicContact CG-CD1 3.61Å; R357-Y595 HydrophobicContact CG-CD2 3.79Å; R357-Y595 HydrophobicContact CG-CE1 3.89Å; R357-Y595 HydrophobicContact CG-CE2 4.04Å; R357-Y595 HydrophobicContact CG-CG 3.55Å; R357-Y595 PolarHBondContact N-O 2.71Å; T404-Y595 HydrophobicContact CG2-CE1 4.14Å; N547-Y595 HydrophobicContact CB-CD1 3.68Å; N547-Y595 HydrophobicContact CB-CD2 3.97Å; N547-Y595 HydrophobicContact CB-CE1 3.74Å; N547-Y595 HydrophobicContact CB-CE2 4.04Å; N547-Y595 HydrophobicContact CB-CG 3.8Å; N547-Y595 VanDerWaalsContact CG-CE2 3.48Å; N547-Y595 WeakPolarHBondContact ND2-CE2 3.19Å; N547-Y595 PolarHBondContact ND2-OH 3.19Å; N547-Y595 PolarHBondContact O-N 2.92Å; N547-Y595 WeakPolarHBondContact OD1-CE1 3.44Å; N547-Y595 PolarHBondContact OD1-OH 2.67Å; N547-Y595 VanDerWaalsContact OD1-OH 3.08Å
596	A	98.2	Very high	84.6	Confident	18 Å²	18	41 Å²	41	15%	0.149	23%	0.226	C	C	.	.			trans	-79.5	146.3	175.6	0	0	0	0	0	109.9	V323 R593 S594	V323-A596 HydrophobicContact CG1-CB 3.83Å; R593-A596 HydrophobicContact CG-CB 4.11Å; S594-A596 PolarHBondContact O-N 2.98Å
597	G	98	Very high	81.8	Confident	3 Å²	3	38.9 Å²	38.9	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.9	165.9	0	0	0	0	0	109.4	V323 I324 V360	V323-G597 CarbonylContact C-O 3.55Å; V323-G597 WeakPolarHBondContact CA-O 3.23Å; I324-G597 PolarHBondContact N-O 2.85Å; I324-G597 PolarHBondContact O-N 2.76Å; V360-G597 VanDerWaalsContact CG2-CA 3.46Å
598	V	97.7	Very high	78.8	Confident	22 Å²	22	39.7 Å²	39.7	13%	0.133	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.2	174.5	-61.8	0	0	0	0	109.8	L321 M322 V323 G549 A550 I560	L321-V598 HydrophobicContact CD1-CB 4.41Å; M322-V598 WeakPolarHBondContact O-CA 3.3Å; V323-V598 HydrophobicContact CG1-CG1 4.2Å; V323-V598 HydrophobicContact CG2-CG1 4.28Å; G549-V598 VanDerWaalsContact CA-CG2 3.5Å; A550-V598 WeakPolarHBondContact O-CG2 3.39Å; I560-V598 HydrophobicContact CB-CG1 4.22Å; I560-V598 HydrophobicContact CD1-CB 4.45Å; I560-V598 HydrophobicContact CD1-CG1 4.42Å; I560-V598 HydrophobicContact CD1-CG2 4.44Å; I560-V598 HydrophobicContact CG2-CG1 4.02Å
599	T	95.7	Very high	75.7	Confident	18 Å²	18	44.2 Å²	44.2	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.7	173.6	-166.6	0	0	0	0	110.4	M322 V360 N362 I367 I601	M322-T599 HydrophobicContact CB-CG2 4.22Å; M322-T599 PolarHBondContact N-O 2.62Å; M322-T599 PolarHBondContact O-N 3.28Å; V360-T599 HydrophobicContact CG1-CG2 3.91Å; N362-T599 WeakPolarHBondContact CB-OG1 3.35Å; I367-T599 HydrophobicContact CG1-CG2 4.22Å; I367-T599 HydrophobicContact CG2-CG2 3.94Å; T599-I601 HydrophobicContact CG2-CD1 4.34Å
600	L	92.3	Very high	72.5	Confident	23 Å²	23	49.6 Å²	49.6	12%	0.12	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135	170.3	-68.7	-177.1	0	0	0	109.3	A318 L321 F340 N362 C551 A552 R553 T602	A318-L600 HydrophobicContact CB-CB 3.8Å; A318-L600 HydrophobicContact CB-CD1 3.87Å; A318-L600 HydrophobicContact CB-CD2 4.01Å; A318-L600 HydrophobicContact CB-CG 4.11Å; L321-L600 HydrophobicContact CB-CD2 4.32Å; L321-L600 HydrophobicContact CD1-CD2 4.15Å; F340-L600 HydrophobicContact CE2-CD2 3.84Å; F340-L600 HydrophobicContact CZ-CD2 3.94Å; N362-L600 PolarHBondContact ND2-O 2.83Å; C551-L600 HydrophobicContact CB-CD2 4.47Å; C551-L600 HydrophobicContact CB-CG 4.13Å; A552-L600 WeakPolarHBondContact O-CD1 3.47Å; R553-L600 HydrophobicContact CB-CD1 3.94Å; L600-T602 PolarHBondContact O-N 2.83Å
601	I	87.4	Confident	69.5	Low	6 Å²	6	48 Å²	48	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	105	168.4	-57.3	-58.3	0	0	0	105.8	A318 R319 G320 M322 F337 I367 F387 T599	A318-I601 CarbonylContact C-O 3.51Å; A318-I601 WeakPolarHBondContact CA-O 3.34Å; R319-I601 WeakPolarHBondContact CA-O 3.21Å; R319-I601 HydrophobicContact CB-CB 4.41Å; R319-I601 HydrophobicContact CB-CG2 4.2Å; R319-I601 VanDerWaalsContact CB-O 3.27Å; R319-I601 WeakPolarHBondContact CB-O 3.46Å; R319-I601 PolarHBondContact N-O 2.9Å; G320-I601 PolarHBondContact O-N 3.02Å; M322-I601 HydrophobicContact CB-CD1 3.9Å; M322-I601 HydrophobicContact CB-CG1 3.81Å; M322-I601 HydrophobicContact SD-CD1 3.83Å; F337-I601 HydrophobicContact CD2-CG1 4.09Å; F337-I601 HydrophobicContact CE2-CB 3.95Å; F337-I601 HydrophobicContact CE2-CG1 3.81Å; I367-I601 HydrophobicContact CD1-CD1 3.5Å; I367-I601 HydrophobicContact CG1-CD1 4Å; F387-I601 HydrophobicContact CD1-CG2 4Å; F387-I601 HydrophobicContact CD2-CB 4.44Å; F387-I601 HydrophobicContact CD2-CD1 3.6Å; F387-I601 HydrophobicContact CD2-CG1 3.75Å; F387-I601 HydrophobicContact CD2-CG2 3.87Å; F387-I601 HydrophobicContact CE1-CG2 4.03Å; F387-I601 HydrophobicContact CE2-CB 4.26Å; F387-I601 HydrophobicContact CE2-CD1 3.99Å; F387-I601 HydrophobicContact CE2-CG1 3.6Å; F387-I601 HydrophobicContact CE2-CG2 3.9Å; F387-I601 HydrophobicContact CG-CD1 4.38Å; F387-I601 HydrophobicContact CG-CG2 3.93Å; F387-I601 HydrophobicContact CZ-CG1 4.35Å; F387-I601 HydrophobicContact CZ-CG2 3.98Å; T599-I601 HydrophobicContact CG2-CD1 4.34Å
602	T	71.6	Confident	66.4	Low	53 Å²	53	51.4 Å²	51.4	33%	0.325	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	148.9	165.2	53.2	0	0	0	0	108.2	L600 D604	L600-T602 PolarHBondContact O-N 2.83Å; T602-D604 PolarHBondContact O-N 2.85Å; T602-D604 PolarHBondContact OG1-O 2.93Å
603	N	55.9	Low	63.3	Low	31 Å²	31	58.3 Å²	58.3	17%	0.166	32%	0.32	C	S	.	.	S	Bend	trans	-72.9	-12	-179.5	-91	-47.6	0	0	0	114	Y311 L312 R319	Y311-N603 VanDerWaalsContact CB-CB 3.42Å; Y311-N603 WeakPolarHBondContact O-CB 3.28Å; Y311-N603 PolarHBondContact O-ND2 3.26Å; L312-N603 HydrophobicContact CD2-CB 4.28Å; R319-N603 VanDerWaalsContact CA-ND2 3.26Å; R319-N603 WeakPolarHBondContact CA-ND2 2.98Å; R319-N603 VanDerWaalsContact CB-CG 3.47Å; R319-N603 VanDerWaalsContact CB-ND2 3.27Å; R319-N603 WeakPolarHBondContact CB-ND2 3.41Å; R319-N603 WeakPolarHBondContact CB-OD1 3.35Å; R319-N603 WeakPolarHBondContact CD-OD1 3.47Å; R319-N603 WeakPolarHBondContact CG-OD1 3.35Å; R319-N603 PolarHBondContact N-ND2 2.85Å
604	D	49.4	Very low	60.4	Low	28 Å²	28	64.2 Å²	64.2	15%	0.15	35%	0.346	C	S	.	.	S	Bend	trans	-132.8	163.1	178.3	-86.7	-12.9	0	0	0	115	L312 T602	L312-D604 HydrophobicContact CD1-CB 4.37Å; L312-D604 WeakPolarHBondContact CD1-OD2 3.4Å; L312-D604 HydrophobicContact CD2-CB 3.68Å; L312-D604 HydrophobicContact CG-CB 4.12Å; L312-D604 WeakPolarHBondContact CG-OD2 3.4Å; T602-D604 PolarHBondContact O-N 2.85Å; T602-D604 PolarHBondContact OG1-O 2.93Å
605	R	38.1	Very low	57.5	Low	138 Å²	138	67.2 Å²	67.2	52%	0.521	36%	0.359	S	S	.	.			trans	-72.1	108.8	149.7	-52.4	-161.7	148.9	160.6	-5.1	108.4	D364 D366 C607	D364-R605 HydrophobicContact CB-CB 4.3Å; D364-R605 VanDerWaalsContact O-CG 3.24Å; D364-R605 WeakPolarHBondContact O-CG 3.3Å; D366-R605 IonicContact OD1-NH2 2.63Å; D366-R605 PolarHBondContact OD1-NH2 3.32Å; D366-R605 IonicContact OD2-NH2 3.1Å; R605-C607 PolarHBondContact O-N 3.36Å
606	Q	32.8	Very low	54.6	Low	131 Å²	131	69 Å²	69	61%	0.612	38%	0.377	S	S	*	.			trans	-61.5	104.6	165.5	-77.6	-174.9	-4.7	0	0	108	T608	Q606-T608 PolarHBondContact O-N 2.86Å
607	C	29.2	Very low	51.8	Low	66 Å²	66	73.3 Å²	73.3	45%	0.446	40%	0.403	S	S	.	.			trans	-71.1	89.4	162.5	-98.5	0	0	0	0	108	R306 R605 L609	R306-C607 PolarHBondContact NH1-SG 2.74Å; R306-C607 PolarHBondContact NH2-SG 2.87Å; R605-C607 PolarHBondContact O-N 3.36Å; C607-L609 PolarHBondContact O-N 3.16Å
608	T	28.8	Very low	49.2	Very low	59 Å²	59	77 Å²	77	36%	0.362	42%	0.416	S	S	.	.			trans	-67.6	77.8	165.5	46	0	0	0	0	109.1	Q606 S610 A611 N612	Q606-T608 PolarHBondContact O-N 2.86Å; T608-S610 PolarHBondContact O-N 2.84Å; T608-A611 HydrophobicContact CG2-CB 4.32Å; T608-N612 PolarHBondContact O-ND2 3.32Å
609	L	30	Very low	46.4	Very low	145 Å²	145	86.8 Å²	86.8	76%	0.759	45%	0.451	S	S	*	.	S	Bend	trans	-74.7	-9.4	164.5	-84.5	165.7	0	0	0	112.1	C607	C607-L609 PolarHBondContact O-N 3.16Å
610	S	31.1	Very low	43.1	Very low	116 Å²	116	95 Å²	95	81%	0.811	49%	0.488	S	S	*	.	S	Bend	trans	-106.2	-5.6	179.8	61.3	0	0	0	0	116.3	T608	T608-S610 PolarHBondContact O-N 2.84Å
611	A	33.4	Very low	40.2	Very low	42 Å²	42	97.3 Å²	97.3	35%	0.347	52%	0.517	S	S	.	.	S	Bend	trans	-89.4	-3.9	174.2	0	0	0	0	0	113.7	T608 L613 F614	T608-A611 HydrophobicContact CG2-CB 4.32Å; A611-L613 PolarHBondContact O-N 3.31Å; A611-F614 PolarHBondContact O-N 2.72Å
612	N	31.4	Very low	37.3	Very low	114 Å²	114	103.4 Å²	103.4	61%	0.61	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	9.6	-168.5	-74.6	-37.1	0	0	0	116.5	T608	T608-N612 PolarHBondContact O-ND2 3.32Å
613	L	33.3	Very low	35.3	Very low	161 Å²	161	106.6 Å²	106.6	84%	0.843	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-3.9	175.4	-74	167.7	0	0	0	114.3	A611	A611-L613 PolarHBondContact O-N 3.31Å
614	F	38.5	Very low	33.9	Very low	126 Å²	126	108.4 Å²	108.4	55%	0.553	61%	0.605	S	S	*	*	S	Bend	trans	-94.4	-16.3	-169.7	-77.9	-77.6	0	0	0	116.7	A611	A611-F614 PolarHBondContact O-N 2.72Å
615	F	37.1	Very low	32.8	Very low	65 Å²	65	116.1 Å²	116.1	29%	0.285	64%	0.642	S	S	.	*			trans	-132.5	103.7	-176	-65.7	-71.5	0	0	0	113	P483	P483-F615 HydrophobicContact CB-CE1 3.58Å; P483-F615 HydrophobicContact CB-CZ 4.15Å; P483-F615 HydrophobicContact CG-CE1 4.4Å
616	P	37.1	Very low	32.3	Very low	85 Å²	85	116.7 Å²	116.7	55%	0.552	66%	0.656	S	S	*	*			trans	-62	153.1	165.5	26	-30.9	0	0	0	110.1
617	P	40.1	Very low	32.1	Very low	107 Å²	107	115.7 Å²	115.7	70%	0.695	66%	0.66	S	S	*	*	S	Bend	trans	-52.5	152.1	168.5	22	-30.8	0	0	0	110	R619	P617-R619 PolarHBondContact O-N 3.07Å
618	W	42.8	Very low	32	Very low	82 Å²	82	120.5 Å²	120.5	31%	0.311	68%	0.68	S	S	.	*			trans	-43.2	111.9	-179.4	-63.5	106.4	0	0	0	109.7	R413 A431 Q440 I442 E620	R413-W618 VanDerWaalsContact NH1-CE2 3.27Å; R413-W618 VanDerWaalsContact NH1-CH2 3.34Å; A431-W618 HydrophobicContact CB-CH2 3.96Å; A431-W618 HydrophobicContact CB-CZ2 4.39Å; Q440-W618 HydrophobicContact CB-CH2 4.21Å; Q440-W618 HydrophobicContact CB-CZ2 4.2Å; Q440-W618 HydrophobicContact CG-CZ2 4.37Å; Q440-W618 VanDerWaalsContact OE1-CE2 3.28Å; Q440-W618 VanDerWaalsContact OE1-CE3 3.23Å; I442-W618 HydrophobicContact CG2-CH2 4.37Å; W618-E620 PolarHBondContact O-N 2.83Å; W618-E620 VanDerWaalsContact O-N 3.1Å
619	R	37.7	Very low	31.9	Very low	227 Å²	227	126 Å²	126	86%	0.857	70%	0.702	S	S	*	*			trans	-65.8	115.3	166.6	-77.3	-168	-171.1	-150.4	2.9	105	P617 G621	P617-R619 PolarHBondContact O-N 3.07Å; R619-G621 PolarHBondContact O-N 2.82Å
620	E	27.9	Very low	31.8	Very low	190 Å²	190	124.1 Å²	124.1	89%	0.888	70%	0.7	S	S	*	*			trans	-50.1	109.8	164	-73.8	-177.9	164.2	0	0	106.5	W618 T622	W618-E620 PolarHBondContact O-N 2.83Å; W618-E620 VanDerWaalsContact O-N 3.1Å; E620-T622 PolarHBondContact O-N 3.2Å
621	G	30.8	Very low	31.6	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	70%	0.699	S	S	*	*			trans	-60.5	109.9	175.1	0	0	0	0	0	106.3	R619 S623	R619-G621 PolarHBondContact O-N 2.82Å; G621-S623 VanDerWaalsContact C-N 3.34Å; G621-S623 PolarHBondContact O-N 2.79Å
622	T	27.3	Very low	31.2	Very low	135 Å²	135	132.1 Å²	132.1	83%	0.828	73%	0.726	S	S	*	*			trans	-52.1	105.6	165.2	45.4	0	0	0	0	106.9	E620 G624	E620-T622 PolarHBondContact O-N 3.2Å; T622-G624 PolarHBondContact O-N 3.22Å
623	S	28.5	Very low	31.2	Very low	120 Å²	120	131 Å²	131	84%	0.839	73%	0.728	S	S	*	*	S	Bend	trans	-53.4	120.8	167.3	50.9	0	0	0	0	108.4	G621	G621-S623 VanDerWaalsContact C-N 3.34Å; G621-S623 PolarHBondContact O-N 2.79Å
624	G	27.1	Very low	30.9	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	73%	0.727	S	S	*	*			trans	99	83.8	165.9	0	0	0	0	0	115.1	T622	T622-G624 PolarHBondContact O-N 3.22Å
625	M	25.2	Very low	30.6	Very low	190 Å²	190	132.2 Å²	132.2	94%	0.936	74%	0.739	S	S	*	*			trans	-137.8	100.4	136.1	-79.8	-161.8	179.4	0	0	107.7
626	D	28	Very low	30.1	Very low	150 Å²	150	133.8 Å²	133.8	80%	0.802	76%	0.758	S	S	*	*			trans	-58.8	145.4	166.4	-81.1	-44.1	0	0	0	110.2	I628	D626-I628 PolarHBondContact O-N 2.91Å; D626-I628 VanDerWaalsContact O-N 3.1Å
627	P	28.8	Very low	29.9	Very low	110 Å²	110	137.5 Å²	137.5	71%	0.714	77%	0.768	S	S	*	*			trans	-74	107	-174.7	28.9	-31.6	0	0	0	110.4	H629	P627-H629 PolarHBondContact O-N 2.76Å
628	I	26.8	Very low	29.1	Very low	167 Å²	167	137.5 Å²	137.5	86%	0.856	77%	0.77	S	S	*	*			trans	-71.5	84.7	164.5	-57.1	175.7	0	0	0	107.8	D626	D626-I628 PolarHBondContact O-N 2.91Å; D626-I628 VanDerWaalsContact O-N 3.1Å
629	H	27.8	Very low	28.7	Very low	176 Å²	176	141.4 Å²	141.4	82%	0.815	79%	0.792	S	S	*	*			trans	-102.8	94.6	159.4	-97.8	-70.4	0	0	0	108.2	P627	P627-H629 PolarHBondContact O-N 2.76Å
630	S	26.1	Very low	28.4	Very low	104 Å²	104	141.8 Å²	141.8	73%	0.727	81%	0.81	S	S	*	*			trans	165.3	94.2	141	47.2	0	0	0	0	111
631	V	27.6	Very low	28.5	Very low	130 Å²	130	139.4 Å²	139.4	79%	0.788	81%	0.807	S	S	*	*			trans	-137.9	91.5	140	-175.5	0	0	0	0	107	S633	V631-S633 PolarHBondContact O-N 2.79Å
632	Q	25.1	Very low	28.3	Very low	196 Å²	196	142.9 Å²	142.9	92%	0.916	81%	0.81	S	S	*	*			trans	-67.6	115.7	151.8	-77	176.3	-31.8	0	0	106.7
633	S	30.8	Very low	28.4	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	81%	0.81	S	S	*	*			trans	-125.1	106.4	158.6	60	0	0	0	0	108.2	V631 I635	V631-S633 PolarHBondContact O-N 2.79Å; S633-I635 PolarHBondContact O-N 2.79Å
634	N	27.7	Very low	28.4	Very low	155 Å²	155	144.8 Å²	144.8	83%	0.829	81%	0.808	S	S	*	*			trans	-47	123.6	167.9	-71.1	-40.2	0	0	0	110.6
635	I	31.8	Very low	28.5	Very low	157 Å²	157	149.6 Å²	149.6	81%	0.805	81%	0.814	S	S	*	*			trans	-118.9	86.4	158.8	-58.6	178.5	0	0	0	106.6	S633	S633-I635 PolarHBondContact O-N 2.79Å
636	S	26.8	Very low	28.7	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	81%	0.806	S	S	*	*			trans	-104.8	104.2	156.2	56.7	0	0	0	0	106.9
637	H	32.2	Very low	28.7	Very low	163 Å²	163	146.6 Å²	146.6	76%	0.755	81%	0.807	S	S	*	*			trans	-130	98.3	160.3	-94	-63.5	0	0	0	108.8
638	S	24.2	Very low	28.7	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	81%	0.814	S	S	*	*			trans	-59.2	129.2	150.3	50.4	0	0	0	0	109.5
639	H	34.2	Very low	28.9	Very low	164 Å²	164	148 Å²	148	76%	0.759	81%	0.81	S	S	*	*			trans	-141.7	121.4	150.4	-93.8	-50.2	0	0	0	108.9
640	N	32.2	Very low	29	Very low	234 Å²	234	145.5 Å²	145.5	100%	1.251	81%	0.81	S	S	*	*			trans	8.6	0	159.3	-65.9	-19.2	0	0	0	118.8

Retrieved 640 of 640 residues in 300.3 ms (Link to these results)

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