A0A096MVC6_PAPAN Loading...

E3 UFM1-protein ligase 1

AlphaFold DB (A0A096NDT9), UniProt , Accession A0A096MVC6, Species PAPAN (Papio anubis, Olive baboon), Gene UFL1, Length 793 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	54	Low	75.3	Confident	213 Å²	213	127.8 Å²	127.8	100%	1.049	62%	0.622	S	S	*	*				0	-45.9	0	-76.6	-73.7	-96.1	0	0	111.8
2	A	62.6	Low	75.7	Confident	74 Å²	74	121.8 Å²	121.8	61%	0.612	61%	0.608	S	S	*	*	H	α-helix	trans	-69.1	-45.3	174	0	0	0	0	0	113.3	A4 W5 E6	A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.28Å; A2-W5 WeakPolarHBondContact O-CB 3.34Å; A2-W5 PolarHBondContact O-N 3.28Å; A2-E6 PolarHBondContact O-N 3.11Å
3	D	69.1	Low	76.3	Confident	125 Å²	125	115 Å²	115	67%	0.668	58%	0.583	S	S	*	*	H	α-helix	trans	-59.7	-39.4	178.6	-66.7	-19.8	0	0	0	113.5	W5 E6 E7	D3-W5 VanDerWaalsContact C-N 3.26Å; D3-W5 PolarHBondContact O-N 3.03Å; D3-E6 PolarHBondContact O-N 3.03Å; D3-E7 WeakPolarHBondContact O-CB 3.42Å; D3-E7 PolarHBondContact O-N 3.05Å
4	A	71.4	Confident	76.5	Confident	50 Å²	50	111.2 Å²	111.2	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-64.8	-31.4	176.4	0	0	0	0	0	112.2	A2 I8	A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.28Å; A4-I8 WeakPolarHBondContact O-CB 3.3Å; A4-I8 WeakPolarHBondContact O-CD1 3.49Å; A4-I8 WeakPolarHBondContact O-CG1 2.93Å; A4-I8 PolarHBondContact O-N 3.2Å
5	W	79	Confident	76.6	Confident	148 Å²	148	112.5 Å²	112.5	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-74.9	-40.8	176.8	-140.8	108.6	0	0	0	110.8	A2 D3 E7 I8 R9	A2-W5 WeakPolarHBondContact O-CB 3.34Å; A2-W5 PolarHBondContact O-N 3.28Å; D3-W5 VanDerWaalsContact C-N 3.26Å; D3-W5 PolarHBondContact O-N 3.03Å; W5-E7 VanDerWaalsContact C-N 3.31Å; W5-E7 PolarHBondContact O-N 2.88Å; W5-I8 PolarHBondContact O-N 3.44Å; W5-R9 HydrophobicContact CE3-CB 4.11Å; W5-R9 HydrophobicContact CZ3-CB 3.98Å; W5-R9 HydrophobicContact CZ3-CG 4.16Å; W5-R9 WeakPolarHBondContact O-CB 3.38Å; W5-R9 PolarHBondContact O-N 2.94Å
6	E	81.8	Confident	76.8	Confident	126 Å²	126	112.5 Å²	112.5	59%	0.589	56%	0.563	S	S	*	*	H	α-helix	trans	-64.2	-36.8	173.6	-75.8	-175.7	165.7	0	0	112.3	A2 D3 R9 R10	A2-E6 PolarHBondContact O-N 3.11Å; D3-E6 PolarHBondContact O-N 3.03Å; E6-R9 PolarHBondContact O-N 3.17Å; E6-R10 WeakPolarHBondContact O-CB 3.43Å; E6-R10 PolarHBondContact O-N 3.16Å
7	E	81.6	Confident	76.8	Confident	128 Å²	128	115.9 Å²	115.9	60%	0.598	57%	0.567	S	S	*	*	H	α-helix	trans	-66.2	-43.4	174.5	-163.1	167.6	-150.7	0	0	111.8	D3 W5 R9 R10 L11	D3-E7 WeakPolarHBondContact O-CB 3.42Å; D3-E7 PolarHBondContact O-N 3.05Å; W5-E7 VanDerWaalsContact C-N 3.31Å; W5-E7 PolarHBondContact O-N 2.88Å; E7-R9 VanDerWaalsContact C-N 3.34Å; E7-R9 PolarHBondContact O-N 3.34Å; E7-R10 PolarHBondContact O-N 3Å; E7-L11 HydrophobicContact CG-CD1 4.43Å; E7-L11 WeakPolarHBondContact O-CB 3.47Å; E7-L11 VanDerWaalsContact O-CG 3.31Å; E7-L11 WeakPolarHBondContact O-CG 3.46Å; E7-L11 PolarHBondContact O-N 3.28Å
8	I	79.3	Confident	76.7	Confident	103 Å²	103	113.2 Å²	113.2	53%	0.528	57%	0.567	S	S	.	*	H	α-helix	trans	-61.2	-41.8	172	-70.1	163.7	0	0	0	111.1	A4 W5 L11 A12	A4-I8 WeakPolarHBondContact O-CB 3.3Å; A4-I8 WeakPolarHBondContact O-CD1 3.49Å; A4-I8 WeakPolarHBondContact O-CG1 2.93Å; A4-I8 PolarHBondContact O-N 3.2Å; W5-I8 PolarHBondContact O-N 3.44Å; I8-L11 PolarHBondContact O-N 3.47Å; I8-A12 WeakPolarHBondContact O-CB 3.47Å; I8-A12 PolarHBondContact O-N 2.99Å
9	R	83.1	Confident	76.2	Confident	152 Å²	152	114.1 Å²	114.1	57%	0.574	57%	0.569	S	S	*	*	H	α-helix	trans	-68.6	-36.7	179.6	-162.5	-177.2	-82	150.6	2.2	111.5	W5 E6 E7 A12 A13	W5-R9 HydrophobicContact CE3-CB 4.11Å; W5-R9 HydrophobicContact CZ3-CB 3.98Å; W5-R9 HydrophobicContact CZ3-CG 4.16Å; W5-R9 WeakPolarHBondContact O-CB 3.38Å; W5-R9 PolarHBondContact O-N 2.94Å; E6-R9 PolarHBondContact O-N 3.17Å; E7-R9 VanDerWaalsContact C-N 3.34Å; E7-R9 PolarHBondContact O-N 3.34Å; R9-A12 PolarHBondContact O-N 3.24Å; R9-A13 WeakPolarHBondContact O-CB 3.35Å; R9-A13 PolarHBondContact O-N 3.37Å
10	R	84.5	Confident	75.9	Confident	175 Å²	175	116.4 Å²	116.4	66%	0.66	58%	0.575	S	S	*	*	H	α-helix	trans	-67.5	-45.3	173.6	-175.7	-179.5	169.2	178.9	-1.4	111.3	E6 E7 A12 A13 D14	E6-R10 WeakPolarHBondContact O-CB 3.43Å; E6-R10 PolarHBondContact O-N 3.16Å; E7-R10 PolarHBondContact O-N 3Å; R10-A12 VanDerWaalsContact C-N 3.31Å; R10-A12 PolarHBondContact O-N 3.47Å; R10-A13 PolarHBondContact O-N 3.43Å; R10-D14 IonicContact NE-OD2 2.62Å; R10-D14 WeakPolarHBondContact O-CB 3.42Å; R10-D14 PolarHBondContact O-N 2.81Å
11	L	82.4	Confident	75.4	Confident	112 Å²	112	114 Å²	114	59%	0.586	58%	0.575	S	S	*	*	H	α-helix	trans	-60.7	-40	174.2	-76.7	165.9	0	0	0	111.6	E7 I8 D14 F15	E7-L11 HydrophobicContact CG-CD1 4.43Å; E7-L11 WeakPolarHBondContact O-CB 3.47Å; E7-L11 VanDerWaalsContact O-CG 3.31Å; E7-L11 WeakPolarHBondContact O-CG 3.46Å; E7-L11 PolarHBondContact O-N 3.28Å; I8-L11 PolarHBondContact O-N 3.47Å; L11-D14 PolarHBondContact O-N 3.24Å; L11-F15 WeakPolarHBondContact O-CB 3.32Å; L11-F15 PolarHBondContact O-N 3.09Å
12	A	79.8	Confident	75.7	Confident	55 Å²	55	112.3 Å²	112.3	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-64.8	-40	174.7	0	0	0	0	0	112.3	I8 R9 R10 F15 Q16	I8-A12 WeakPolarHBondContact O-CB 3.47Å; I8-A12 PolarHBondContact O-N 2.99Å; R9-A12 PolarHBondContact O-N 3.24Å; R10-A12 VanDerWaalsContact C-N 3.31Å; R10-A12 PolarHBondContact O-N 3.47Å; A12-F15 PolarHBondContact O-N 2.94Å; A12-Q16 WeakPolarHBondContact O-CB 3.45Å; A12-Q16 PolarHBondContact O-N 3.22Å
13	A	83.1	Confident	75.4	Confident	34 Å²	34	112.3 Å²	112.3	28%	0.281	56%	0.564	S	S	.	*	H	α-helix	trans	-69.6	-40.4	176.1	0	0	0	0	0	112.4	R9 R10 F15 Q16 R17	R9-A13 WeakPolarHBondContact O-CB 3.35Å; R9-A13 PolarHBondContact O-N 3.37Å; R10-A13 PolarHBondContact O-N 3.43Å; A13-F15 VanDerWaalsContact C-N 3.33Å; A13-Q16 PolarHBondContact O-N 3.06Å; A13-R17 WeakPolarHBondContact O-CG 3.45Å; A13-R17 PolarHBondContact O-N 3.21Å
14	D	79.9	Confident	75	Confident	62 Å²	62	113.5 Å²	113.5	33%	0.332	58%	0.576	S	S	.	*	H	α-helix	trans	-67.1	-36.6	175	-74.3	-19.3	0	0	0	110.8	R10 L11 R17 A18	R10-D14 IonicContact NE-OD2 2.62Å; R10-D14 WeakPolarHBondContact O-CB 3.42Å; R10-D14 PolarHBondContact O-N 2.81Å; L11-D14 PolarHBondContact O-N 3.24Å; D14-R17 PolarHBondContact O-N 3.07Å; D14-R17 IonicContact OD1-CZ 2.64Å; D14-R17 IonicContact OD1-NH1 2.72Å; D14-R17 PolarHBondContact OD1-NH1 3.12Å; D14-R17 IonicContact OD1-NH2 3.46Å; D14-A18 WeakPolarHBondContact O-CB 3.23Å; D14-A18 PolarHBondContact O-N 2.99Å
15	F	77.6	Confident	74.6	Confident	130 Å²	130	119.6 Å²	119.6	57%	0.57	60%	0.596	S	S	*	*	H	α-helix	trans	-64.7	-42.9	171.6	-173.9	-103.9	0	0	0	112	L11 A12 A13 R17 A18 Q19	L11-F15 WeakPolarHBondContact O-CB 3.32Å; L11-F15 PolarHBondContact O-N 3.09Å; A12-F15 PolarHBondContact O-N 2.94Å; A13-F15 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 2.89Å; F15-A18 PolarHBondContact O-N 2.88Å; F15-Q19 HydrophobicContact CD1-CG 4.32Å; F15-Q19 VanDerWaalsContact CE1-CD 3.4Å; F15-Q19 HydrophobicContact CE1-CG 4.02Å; F15-Q19 HydrophobicContact CZ-CG 4.23Å; F15-Q19 WeakPolarHBondContact O-CG 3.41Å; F15-Q19 PolarHBondContact O-N 2.93Å
16	Q	79.6	Confident	73.8	Confident	113 Å²	113	123.3 Å²	123.3	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-60	-45.4	173.2	-117.7	-176.1	-20.8	0	0	111.4	A12 A13 A18 Q19 F20	A12-Q16 WeakPolarHBondContact O-CB 3.45Å; A12-Q16 PolarHBondContact O-N 3.22Å; A13-Q16 PolarHBondContact O-N 3.06Å; Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.34Å; Q16-Q19 PolarHBondContact O-N 3.12Å; Q16-F20 HydrophobicContact CG-CE2 3.99Å; Q16-F20 WeakPolarHBondContact O-CD2 3.42Å; Q16-F20 PolarHBondContact O-N 2.9Å
17	R	77.2	Confident	73.3	Confident	170 Å²	170	122.3 Å²	122.3	64%	0.642	61%	0.608	S	S	*	*	H	α-helix	trans	-61.7	-39.8	175.5	-73.7	-171.1	-141.7	127.3	11.8	112.2	A13 D14 F15 F20 A21	A13-R17 WeakPolarHBondContact O-CG 3.45Å; A13-R17 PolarHBondContact O-N 3.21Å; D14-R17 PolarHBondContact O-N 3.07Å; D14-R17 IonicContact OD1-CZ 2.64Å; D14-R17 IonicContact OD1-NH1 2.72Å; D14-R17 PolarHBondContact OD1-NH1 3.12Å; D14-R17 IonicContact OD1-NH2 3.46Å; F15-R17 PolarHBondContact O-N 2.89Å; R17-F20 PolarHBondContact O-N 2.99Å; R17-A21 PolarHBondContact O-N 3.48Å; R17-A21 VanDerWaalsContact O-N 3.11Å
18	A	74	Confident	73.1	Confident	67 Å²	67	119 Å²	119	55%	0.554	60%	0.598	S	S	*	*	H	α-helix	trans	-67	-35.7	176.3	0	0	0	0	0	112.4	D14 F15 Q16 A21	D14-A18 WeakPolarHBondContact O-CB 3.23Å; D14-A18 PolarHBondContact O-N 2.99Å; F15-A18 PolarHBondContact O-N 2.88Å; Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.34Å; A18-A21 PolarHBondContact O-N 2.94Å
19	Q	68	Low	72.9	Confident	130 Å²	130	122 Å²	122	61%	0.607	61%	0.61	S	S	*	*	H	α-helix	trans	-70.1	-33	175.5	-77.4	-170.2	-35.2	0	0	113.3	F15 Q16	F15-Q19 HydrophobicContact CD1-CG 4.32Å; F15-Q19 VanDerWaalsContact CE1-CD 3.4Å; F15-Q19 HydrophobicContact CE1-CG 4.02Å; F15-Q19 HydrophobicContact CZ-CG 4.23Å; F15-Q19 WeakPolarHBondContact O-CG 3.41Å; F15-Q19 PolarHBondContact O-N 2.93Å; Q16-Q19 PolarHBondContact O-N 3.12Å
20	F	70.4	Confident	72.6	Confident	160 Å²	160	123.4 Å²	123.4	70%	0.702	62%	0.616	S	S	*	*	H	α-helix	trans	-85.2	-6.6	176.2	-69.8	-62.1	0	0	0	113.8	Q16 R17 E22	Q16-F20 HydrophobicContact CG-CE2 3.99Å; Q16-F20 WeakPolarHBondContact O-CD2 3.42Å; Q16-F20 PolarHBondContact O-N 2.9Å; R17-F20 PolarHBondContact O-N 2.99Å; F20-E22 PolarHBondContact O-N 3.47Å; F20-E22 VanDerWaalsContact O-N 3.16Å
21	A	65.7	Low	72.4	Confident	68 Å²	68	118.5 Å²	118.5	56%	0.562	60%	0.603	S	S	*	*	S	Bend	trans	-72.9	103.5	170.7	0	0	0	0	0	109.2	R17 A18 A23	R17-A21 PolarHBondContact O-N 3.48Å; R17-A21 VanDerWaalsContact O-N 3.11Å; A18-A21 PolarHBondContact O-N 2.94Å; A21-A23 PolarHBondContact O-N 3.18Å
22	E	58.9	Low	72.2	Confident	177 Å²	177	115.7 Å²	115.7	83%	0.827	59%	0.592	S	S	*	*			trans	-63.9	105.4	171.5	-77.6	-172.6	151.8	0	0	109.9	F20 T24	F20-E22 PolarHBondContact O-N 3.47Å; F20-E22 VanDerWaalsContact O-N 3.16Å; E22-T24 PolarHBondContact O-N 2.96Å
23	A	58.2	Low	72.2	Confident	73 Å²	73	116.8 Å²	116.8	60%	0.603	59%	0.589	S	S	*	*			trans	-62.1	118.2	170	0	0	0	0	0	109.4	A21 Q25	A21-A23 PolarHBondContact O-N 3.18Å; A23-Q25 PolarHBondContact O-N 2.75Å
24	T	59.5	Low	72.1	Confident	150 Å²	150	120 Å²	120	92%	0.92	60%	0.599	S	S	*	*	S	Bend	trans	-64.5	-5.7	-173.4	23.4	0	0	0	0	115.1	E22	E22-T24 PolarHBondContact O-N 2.96Å
25	Q	62.3	Low	72.2	Confident	178 Å²	178	120.9 Å²	120.9	83%	0.832	60%	0.602	S	S	*	*			trans	-140.8	103	174.3	-65.9	-173.7	-2.9	0	0	110.3	A23	A23-Q25 PolarHBondContact O-N 2.75Å
26	R	63.7	Low	72.4	Confident	227 Å²	227	116.1 Å²	116.1	86%	0.857	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-86.9	117.7	166	-72.5	-174.4	176.3	179.7	0.3	108.7
27	L	70	Confident	72.4	Confident	105 Å²	105	114.4 Å²	114.4	55%	0.55	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-68.7	130.8	166.5	-72.1	161.1	0	0	0	108.1	N31 C32 I35	L27-N31 HydrophobicContact CD2-CB 4.07Å; L27-C32 VanDerWaalsContact CB-SG 3.58Å; L27-I35 HydrophobicContact CD1-CD1 4.25Å; L27-I35 HydrophobicContact CD2-CD1 4.03Å
28	S	77.6	Confident	72.7	Confident	57 Å²	57	112.9 Å²	112.9	40%	0.399	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-68	153.2	169.6	64.8	0	0	0	0	109.7	R30 N31 C32	S28-R30 PolarHBondContact O-N 3.43Å; S28-R30 VanDerWaalsContact O-N 3.16Å; S28-N31 WeakPolarHBondContact O-CA 3.28Å; S28-N31 WeakPolarHBondContact O-CB 3.39Å; S28-N31 PolarHBondContact O-N 3.48Å; S28-N31 PolarHBondContact OG-N 3.42Å; S28-N31 PolarHBondContact OG-ND2 3.38Å; S28-N31 PolarHBondContact OG-OD1 3.06Å; S28-C32 PolarHBondContact O-N 2.97Å
29	E	75.5	Confident	73	Confident	167 Å²	167	112.3 Å²	112.3	78%	0.78	56%	0.563	S	S	*	*	H	α-helix	trans	-52.4	-39	175.9	-68.6	175.5	178.2	0	0	111.8	N31 C32 I33	E29-N31 PolarHBondContact O-N 3.49Å; E29-C32 WeakPolarHBondContact O-CB 3.37Å; E29-C32 PolarHBondContact O-N 3.42Å; E29-I33 VanDerWaalsContact O-CG1 3.28Å; E29-I33 WeakPolarHBondContact O-CG1 3.34Å; E29-I33 PolarHBondContact O-N 2.94Å
30	R	77.9	Confident	73.7	Confident	181 Å²	181	108.9 Å²	108.9	68%	0.683	55%	0.549	S	S	*	.	H	α-helix	trans	-60.3	-44.4	175	-174.9	175	176.8	162.2	2.7	112.4	S28 C32 I33 E34	S28-R30 PolarHBondContact O-N 3.43Å; S28-R30 VanDerWaalsContact O-N 3.16Å; R30-C32 VanDerWaalsContact C-N 3.34Å; R30-I33 PolarHBondContact O-N 3.15Å; R30-E34 IonicContact NE-OE1 3.37Å; R30-E34 PolarHBondContact NE-OE1 3.1Å; R30-E34 WeakPolarHBondContact O-CG 3.39Å; R30-E34 PolarHBondContact O-N 2.93Å
31	N	80.3	Confident	74.3	Confident	72 Å²	72	105.2 Å²	105.2	39%	0.385	55%	0.548	S	S	.	.	H	α-helix	trans	-67.1	-37.6	177.5	-67.8	-2.5	0	0	0	111	L27 S28 E29 E34 I35	L27-N31 HydrophobicContact CD2-CB 4.07Å; S28-N31 WeakPolarHBondContact O-CA 3.28Å; S28-N31 WeakPolarHBondContact O-CB 3.39Å; S28-N31 PolarHBondContact O-N 3.48Å; S28-N31 PolarHBondContact OG-N 3.42Å; S28-N31 PolarHBondContact OG-ND2 3.38Å; S28-N31 PolarHBondContact OG-OD1 3.06Å; E29-N31 PolarHBondContact O-N 3.49Å; N31-E34 PolarHBondContact O-N 3.11Å; N31-I35 WeakPolarHBondContact O-CB 3.32Å; N31-I35 WeakPolarHBondContact O-CD1 3.41Å; N31-I35 WeakPolarHBondContact O-CG1 3.44Å; N31-I35 PolarHBondContact O-N 3.27Å
32	C	77.9	Confident	75.3	Confident	53 Å²	53	107.1 Å²	107.1	36%	0.358	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-45.1	174.7	-68	0	0	0	0	111.7	L27 S28 E29 R30 I35 V36	L27-C32 VanDerWaalsContact CB-SG 3.58Å; S28-C32 PolarHBondContact O-N 2.97Å; E29-C32 WeakPolarHBondContact O-CB 3.37Å; E29-C32 PolarHBondContact O-N 3.42Å; R30-C32 VanDerWaalsContact C-N 3.34Å; C32-I35 PolarHBondContact O-N 3.22Å; C32-V36 VanDerWaalsContact O-CG2 3.29Å; C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.37Å
33	I	79.8	Confident	76.2	Confident	78 Å²	78	108.1 Å²	108.1	40%	0.4	55%	0.547	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.7	-66.9	163	0	0	0	110.8	E29 R30 I35 V36 N37	E29-I33 VanDerWaalsContact O-CG1 3.28Å; E29-I33 WeakPolarHBondContact O-CG1 3.34Å; E29-I33 PolarHBondContact O-N 2.94Å; R30-I33 PolarHBondContact O-N 3.15Å; I33-I35 PolarHBondContact O-N 2.94Å; I33-V36 PolarHBondContact O-N 3.06Å; I33-N37 VanDerWaalsContact O-CB 3.31Å; I33-N37 WeakPolarHBondContact O-CB 3.49Å; I33-N37 PolarHBondContact O-N 3.4Å; I33-N37 PolarHBondContact O-ND2 3.14Å
34	E	81.1	Confident	77.1	Confident	103 Å²	103	111.2 Å²	111.2	48%	0.481	55%	0.549	S	S	.	.	H	α-helix	trans	-64.2	-39.1	177.6	-74.6	178.9	-163.3	0	0	112.4	R30 N31 K38	R30-E34 IonicContact NE-OE1 3.37Å; R30-E34 PolarHBondContact NE-OE1 3.1Å; R30-E34 WeakPolarHBondContact O-CG 3.39Å; R30-E34 PolarHBondContact O-N 2.93Å; N31-E34 PolarHBondContact O-N 3.11Å; E34-K38 WeakPolarHBondContact O-CB 3.3Å; E34-K38 PolarHBondContact O-N 2.87Å
35	I	81	Confident	78	Confident	79 Å²	79	107 Å²	107	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-48.7	174.7	-69.4	163.9	0	0	0	110.5	L27 N31 C32 I33 N37 K38 L39	L27-I35 HydrophobicContact CD1-CD1 4.25Å; L27-I35 HydrophobicContact CD2-CD1 4.03Å; N31-I35 WeakPolarHBondContact O-CB 3.32Å; N31-I35 WeakPolarHBondContact O-CD1 3.41Å; N31-I35 WeakPolarHBondContact O-CG1 3.44Å; N31-I35 PolarHBondContact O-N 3.27Å; C32-I35 PolarHBondContact O-N 3.22Å; I33-I35 PolarHBondContact O-N 2.94Å; I35-N37 PolarHBondContact O-N 3.43Å; I35-K38 PolarHBondContact O-N 3.26Å; I35-K38 VanDerWaalsContact O-N 3.17Å; I35-L39 HydrophobicContact CG2-CD1 3.99Å; I35-L39 HydrophobicContact CG2-CG 4.44Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 2.88Å
36	V	81.5	Confident	78.7	Confident	30 Å²	30	104.7 Å²	104.7	18%	0.182	51%	0.51	C	S	.	.	H	α-helix	trans	-60.8	-45.6	178.8	171.3	0	0	0	0	110.6	C32 I33 K38 L39 I40 L45 V47 Y56	C32-V36 VanDerWaalsContact O-CG2 3.29Å; C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.37Å; I33-V36 PolarHBondContact O-N 3.06Å; V36-K38 VanDerWaalsContact C-N 3.29Å; V36-K38 PolarHBondContact O-N 2.91Å; V36-L39 PolarHBondContact O-N 3.01Å; V36-L39 VanDerWaalsContact O-N 3.13Å; V36-I40 HydrophobicContact CG1-CD1 3.84Å; V36-I40 HydrophobicContact CG1-CG1 4.4Å; V36-I40 VanDerWaalsContact O-CG1 3.29Å; V36-I40 WeakPolarHBondContact O-CG1 3.49Å; V36-I40 PolarHBondContact O-N 3.47Å; V36-L45 HydrophobicContact CG1-CD2 4.22Å; V36-V47 HydrophobicContact CG1-CG2 4.28Å; V36-Y56 HydrophobicContact CG1-CD1 3.97Å; V36-Y56 HydrophobicContact CG1-CD2 4.47Å; V36-Y56 HydrophobicContact CG1-CE1 3.57Å; V36-Y56 HydrophobicContact CG1-CE2 4.19Å; V36-Y56 HydrophobicContact CG1-CG 4.36Å
37	N	80.9	Confident	79.5	Confident	77 Å²	77	95.1 Å²	95.1	41%	0.412	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-37.9	176	-73.4	-19.9	0	0	0	112.3	I33 I35 I40 A41	I33-N37 VanDerWaalsContact O-CB 3.31Å; I33-N37 WeakPolarHBondContact O-CB 3.49Å; I33-N37 PolarHBondContact O-N 3.4Å; I33-N37 PolarHBondContact O-ND2 3.14Å; I35-N37 PolarHBondContact O-N 3.43Å; N37-I40 PolarHBondContact O-N 2.81Å; N37-A41 WeakPolarHBondContact O-CB 3.07Å; N37-A41 PolarHBondContact O-N 3.24Å
38	K	82.5	Confident	80	Confident	138 Å²	138	90.7 Å²	90.7	60%	0.6	45%	0.454	S	S	*	.	H	α-helix	trans	-68.4	-37.9	175.8	-164.8	171.5	-176.8	177.3	0	112.1	E34 I35 V36 A41 Q42	E34-K38 WeakPolarHBondContact O-CB 3.3Å; E34-K38 PolarHBondContact O-N 2.87Å; I35-K38 PolarHBondContact O-N 3.26Å; I35-K38 VanDerWaalsContact O-N 3.17Å; V36-K38 VanDerWaalsContact C-N 3.29Å; V36-K38 PolarHBondContact O-N 2.91Å; K38-A41 PolarHBondContact O-N 3.4Å; K38-Q42 WeakPolarHBondContact O-CB 3.43Å; K38-Q42 WeakPolarHBondContact O-CG 3.36Å; K38-Q42 PolarHBondContact O-N 2.98Å
39	L	81.2	Confident	80.1	Confident	55 Å²	55	92 Å²	92	29%	0.288	45%	0.453	S	S	.	.	H	α-helix	trans	-67.5	-38.1	175	-69.4	170.7	0	0	0	112.4	I35 V36 Q42 K43 Q44 L45	I35-L39 HydrophobicContact CG2-CD1 3.99Å; I35-L39 HydrophobicContact CG2-CG 4.44Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 2.88Å; V36-L39 PolarHBondContact O-N 3.01Å; V36-L39 VanDerWaalsContact O-N 3.13Å; L39-Q42 PolarHBondContact O-N 3.45Å; L39-K43 PolarHBondContact O-N 3.15Å; L39-Q44 HydrophobicContact CD2-CB 4.37Å; L39-Q44 PolarHBondContact O-N 3.26Å; L39-L45 HydrophobicContact CB-CB 3.95Å; L39-L45 HydrophobicContact CB-CD2 4.44Å; L39-L45 PolarHBondContact O-N 3.08Å
40	I	82.6	Confident	80.4	Confident	59 Å²	59	84.4 Å²	84.4	30%	0.303	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-47	172.5	-65.5	164.9	0	0	0	110.1	V36 N37 Q42 K43 V47 Y56	V36-I40 HydrophobicContact CG1-CD1 3.84Å; V36-I40 HydrophobicContact CG1-CG1 4.4Å; V36-I40 VanDerWaalsContact O-CG1 3.29Å; V36-I40 WeakPolarHBondContact O-CG1 3.49Å; V36-I40 PolarHBondContact O-N 3.47Å; N37-I40 PolarHBondContact O-N 2.81Å; I40-Q42 VanDerWaalsContact C-N 3.25Å; I40-Q42 PolarHBondContact O-N 2.95Å; I40-K43 WeakPolarHBondContact O-CA 3.43Å; I40-K43 PolarHBondContact O-N 3.4Å; I40-V47 HydrophobicContact CD1-CG2 3.57Å; I40-V47 HydrophobicContact CG1-CG2 3.8Å; I40-Y56 HydrophobicContact CD1-CE1 4.29Å
41	A	82.5	Confident	80.4	Confident	82 Å²	82	80.4 Å²	80.4	68%	0.678	41%	0.41	S	S	*	.	H	α-helix	trans	-62	-32.9	178.9	0	0	0	0	0	112.8	N37 K38 K43	N37-A41 WeakPolarHBondContact O-CB 3.07Å; N37-A41 PolarHBondContact O-N 3.24Å; K38-A41 PolarHBondContact O-N 3.4Å; A41-K43 VanDerWaalsContact C-N 3.25Å; A41-K43 PolarHBondContact O-N 2.82Å
42	Q	86.1	Confident	80.3	Confident	109 Å²	109	82 Å²	82	51%	0.509	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2	174.7	-70	-178	-12.3	0	0	113.7	K38 L39 I40 Q44	K38-Q42 WeakPolarHBondContact O-CB 3.43Å; K38-Q42 WeakPolarHBondContact O-CG 3.36Å; K38-Q42 PolarHBondContact O-N 2.98Å; L39-Q42 PolarHBondContact O-N 3.45Å; I40-Q42 VanDerWaalsContact C-N 3.25Å; I40-Q42 PolarHBondContact O-N 2.95Å; Q42-Q44 HydrophobicContact CB-CG 4.11Å; Q42-Q44 PolarHBondContact O-N 3.23Å
43	K	78.1	Confident	80.1	Confident	197 Å²	197	81.9 Å²	81.9	86%	0.857	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	24.6	-174.6	-59.3	-175.1	177.4	-175.7	0	114	L39 I40 A41	L39-K43 PolarHBondContact O-N 3.15Å; I40-K43 WeakPolarHBondContact O-CA 3.43Å; I40-K43 PolarHBondContact O-N 3.4Å; A41-K43 VanDerWaalsContact C-N 3.25Å; A41-K43 PolarHBondContact O-N 2.82Å
44	Q	77.3	Confident	79.8	Confident	139 Å²	139	86.4 Å²	86.4	65%	0.65	44%	0.443	S	S	*	.	S	Bend	trans	-88.2	-15.6	177.3	-68	-173.1	-24.5	0	0	112.2	L39 Q42	L39-Q44 HydrophobicContact CD2-CB 4.37Å; L39-Q44 PolarHBondContact O-N 3.26Å; Q42-Q44 HydrophobicContact CB-CG 4.11Å; Q42-Q44 PolarHBondContact O-N 3.23Å
45	L	79.1	Confident	79.8	Confident	61 Å²	61	87.5 Å²	87.5	32%	0.319	45%	0.448	S	S	.	.			trans	-138.7	125.1	179	-174	69.1	0	0	0	110.3	V36 L39 V47	V36-L45 HydrophobicContact CG1-CD2 4.22Å; L39-L45 HydrophobicContact CB-CB 3.95Å; L39-L45 HydrophobicContact CB-CD2 4.44Å; L39-L45 PolarHBondContact O-N 3.08Å; L45-V47 HydrophobicContact CD1-CG1 4.06Å; L45-V47 HydrophobicContact CD2-CG1 3.97Å; L45-V47 HydrophobicContact CD2-CG2 4.02Å; L45-V47 HydrophobicContact CG-CG1 3.81Å; L45-V47 HydrophobicContact CG-CG2 4.17Å
46	E	76	Confident	79.8	Confident	130 Å²	130	87.2 Å²	87.2	61%	0.607	44%	0.442	S	S	*	.			trans	-104.4	108.9	170.6	-170.5	-172.7	159	0	0	108.3	P59 R96	E46-P59 HydrophobicContact CG-CG 3.97Å; E46-P59 WeakPolarHBondContact O-CD 3.48Å; E46-R96 IonicContact OE1-NH2 3.65Å; E46-R96 PolarHBondContact OE1-NH2 3.48Å
47	V	80.4	Confident	79.9	Confident	26 Å²	26	86.4 Å²	86.4	16%	0.158	44%	0.437	C	S	.	.			trans	-136.3	146.1	178.9	-76.4	0	0	0	0	109.7	V36 I40 L45 Y56 I57 T58	V36-V47 HydrophobicContact CG1-CG2 4.28Å; I40-V47 HydrophobicContact CD1-CG2 3.57Å; I40-V47 HydrophobicContact CG1-CG2 3.8Å; L45-V47 HydrophobicContact CD1-CG1 4.06Å; L45-V47 HydrophobicContact CD2-CG1 3.97Å; L45-V47 HydrophobicContact CD2-CG2 4.02Å; L45-V47 HydrophobicContact CG-CG1 3.81Å; L45-V47 HydrophobicContact CG-CG2 4.17Å; V47-Y56 HydrophobicContact CB-CD1 4.16Å; V47-Y56 HydrophobicContact CG2-CD1 3.68Å; V47-Y56 HydrophobicContact CG2-CE1 4.33Å; V47-Y56 HydrophobicContact CG2-CG 4.46Å; V47-I57 WeakPolarHBondContact CA-O 2.97Å; V47-T58 HydrophobicContact CG1-CG2 4Å
48	V	80.2	Confident	80.1	Confident	12 Å²	12	85.7 Å²	85.7	7%	0.073	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.9	177.3	-179.7	0	0	0	0	108.1	Y56 I57 I62 V88 H92	V48-Y56 CarbonylContact O-C 3.51Å; V48-Y56 WeakPolarHBondContact O-CA 3.05Å; V48-I57 PolarHBondContact N-O 3.02Å; V48-I57 PolarHBondContact O-N 3.26Å; V48-I62 HydrophobicContact CB-CD1 4.32Å; V48-I62 HydrophobicContact CG2-CD1 4.28Å; V48-V88 HydrophobicContact CG1-CG1 3.81Å; V48-H92 HydrophobicContact CG1-CB 4.31Å; V48-H92 WeakPolarHBondContact CG1-CD2 3.43Å; V48-H92 HydrophobicContact CG2-CB 4.44Å
49	H	79.4	Confident	80	Confident	85 Å²	85	79.7 Å²	79.7	39%	0.394	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.1	173.4	-74.6	-93	0	0	0	110.8	E55 Y56	H49-E55 WeakPolarHBondContact CA-O 3.5Å; H49-Y56 AromaticContact CD2-CE1 3.86Å; H49-Y56 AromaticContact CE1-CD1 3.66Å; H49-Y56 AromaticContact CE1-CE1 2.91Å; H49-Y56 WeakPolarHBondContact CE1-CE1 3.43Å; H49-Y56 AromaticContact CE1-CE2 3.96Å; H49-Y56 AromaticContact CE1-CZ 3.08Å; H49-Y56 PolarHBondContact CE1-OH 3.47Å; H49-Y56 AromaticContact ND1-CD1 3.85Å; H49-Y56 AromaticContact ND1-CE1 3.57Å; H49-Y56 AromaticContact ND1-CZ 3.84Å; H49-Y56 AromaticContact NE2-CD1 3.85Å; H49-Y56 AromaticContact NE2-CE1 3.08Å; H49-Y56 WeakPolarHBondContact NE2-CE1 3.44Å; H49-Y56 AromaticContact NE2-CZ 3.66Å
50	T	82	Confident	80.1	Confident	7 Å²	7	80.5 Å²	80.5	4%	0.043	43%	0.425	C	S	.	.			trans	-60.5	155.1	164.2	52.4	0	0	0	0	111	D52 G53 K54 E55 I57 N87	T50-D52 PolarHBondContact O-N 3.03Å; T50-D52 VanDerWaalsContact O-N 3.16Å; T50-G53 WeakPolarHBondContact O-CA 3.27Å; T50-G53 PolarHBondContact O-N 3.25Å; T50-K54 PolarHBondContact OG1-N 3.29Å; T50-E55 HydrophobicContact CG2-CB 3.8Å; T50-E55 PolarHBondContact N-O 2.98Å; T50-E55 PolarHBondContact OG1-N 2.9Å; T50-E55 PolarHBondContact OG1-O 3.37Å; T50-I57 HydrophobicContact CG2-CD1 3.48Å; T50-I57 VanDerWaalsContact CG2-CD1 3.48Å; T50-I57 HydrophobicContact CG2-CG1 4.02Å; T50-N87 CarbonylContact C-O 3.54Å; T50-N87 WeakPolarHBondContact CA-O 3.34Å; T50-N87 WeakPolarHBondContact CB-O 3.5Å
51	L	78.9	Confident	80.2	Confident	96 Å²	96	81.2 Å²	81.2	50%	0.503	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.3	176.7	-64.2	168.9	0	0	0	112.6	G53 Q83 N87 D89	L51-G53 VanDerWaalsContact C-N 3.26Å; L51-G53 PolarHBondContact O-N 3.44Å; L51-Q83 HydrophobicContact CD1-CG 4.47Å; L51-N87 PolarHBondContact N-O 3.3Å; L51-D89 HydrophobicContact CD2-CB 4.11Å
52	D	77.1	Confident	80.3	Confident	107 Å²	107	77.3 Å²	77.3	57%	0.572	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.3	174.9	-66.7	-36.9	0	0	0	114.1	T50 K54 N87	T50-D52 PolarHBondContact O-N 3.03Å; T50-D52 VanDerWaalsContact O-N 3.16Å; D52-K54 HydrophobicContact CB-CD 4.38Å; D52-K54 HydrophobicContact CB-CG 4.37Å; D52-K54 PolarHBondContact O-N 3.2Å; D52-K54 VanDerWaalsContact O-N 3.16Å; D52-N87 PolarHBondContact OD2-ND2 2.89Å
53	G	73.8	Confident	80.2	Confident	50 Å²	50	73 Å²	73	52%	0.515	38%	0.376	S	S	.	.	S	Bend	trans	68.6	5.8	-179.7	0	0	0	0	0	115.7	T50 L51	T50-G53 WeakPolarHBondContact O-CA 3.27Å; T50-G53 PolarHBondContact O-N 3.25Å; L51-G53 VanDerWaalsContact C-N 3.26Å; L51-G53 PolarHBondContact O-N 3.44Å
54	K	74.1	Confident	80.6	Confident	173 Å²	173	68.5 Å²	68.5	75%	0.752	36%	0.357	S	S	*	.	S	Bend	trans	-87.3	-29.4	-172.9	-68.6	176.2	-175.7	170.9	0	113.9	T50 D52	T50-K54 PolarHBondContact OG1-N 3.29Å; D52-K54 HydrophobicContact CB-CD 4.38Å; D52-K54 HydrophobicContact CB-CG 4.37Å; D52-K54 PolarHBondContact O-N 3.2Å; D52-K54 VanDerWaalsContact O-N 3.16Å
55	E	80.5	Confident	81.1	Confident	125 Å²	125	64.6 Å²	64.6	58%	0.584	34%	0.339	S	S	*	.			trans	-127.4	148.9	-172.4	-60.6	179.8	176.9	0	0	112	H49 T50	H49-E55 WeakPolarHBondContact CA-O 3.5Å; T50-E55 HydrophobicContact CG2-CB 3.8Å; T50-E55 PolarHBondContact N-O 2.98Å; T50-E55 PolarHBondContact OG1-N 2.9Å; T50-E55 PolarHBondContact OG1-O 3.37Å
56	Y	81.6	Confident	81.4	Confident	73 Å²	73	61.8 Å²	61.8	29%	0.286	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.7	172.4	-70.1	-88.6	0	0	0	108.8	V36 I40 V47 V48 H49	V36-Y56 HydrophobicContact CG1-CD1 3.97Å; V36-Y56 HydrophobicContact CG1-CD2 4.47Å; V36-Y56 HydrophobicContact CG1-CE1 3.57Å; V36-Y56 HydrophobicContact CG1-CE2 4.19Å; V36-Y56 HydrophobicContact CG1-CG 4.36Å; I40-Y56 HydrophobicContact CD1-CE1 4.29Å; V47-Y56 HydrophobicContact CB-CD1 4.16Å; V47-Y56 HydrophobicContact CG2-CD1 3.68Å; V47-Y56 HydrophobicContact CG2-CE1 4.33Å; V47-Y56 HydrophobicContact CG2-CG 4.46Å; V48-Y56 CarbonylContact O-C 3.51Å; V48-Y56 WeakPolarHBondContact O-CA 3.05Å; H49-Y56 AromaticContact CD2-CE1 3.86Å; H49-Y56 AromaticContact CE1-CD1 3.66Å; H49-Y56 AromaticContact CE1-CE1 2.91Å; H49-Y56 WeakPolarHBondContact CE1-CE1 3.43Å; H49-Y56 AromaticContact CE1-CE2 3.96Å; H49-Y56 AromaticContact CE1-CZ 3.08Å; H49-Y56 PolarHBondContact CE1-OH 3.47Å; H49-Y56 AromaticContact ND1-CD1 3.85Å; H49-Y56 AromaticContact ND1-CE1 3.57Å; H49-Y56 AromaticContact ND1-CZ 3.84Å; H49-Y56 AromaticContact NE2-CD1 3.85Å; H49-Y56 AromaticContact NE2-CE1 3.08Å; H49-Y56 WeakPolarHBondContact NE2-CE1 3.44Å; H49-Y56 AromaticContact NE2-CZ 3.66Å
57	I	83.8	Confident	81.7	Confident	14 Å²	14	60.5 Å²	60.5	7%	0.072	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.1	-178.4	-55	178.5	0	0	0	109	V47 V48 T50 Q61 I62 V88	V47-I57 WeakPolarHBondContact CA-O 2.97Å; V48-I57 PolarHBondContact N-O 3.02Å; V48-I57 PolarHBondContact O-N 3.26Å; T50-I57 HydrophobicContact CG2-CD1 3.48Å; T50-I57 VanDerWaalsContact CG2-CD1 3.48Å; T50-I57 HydrophobicContact CG2-CG1 4.02Å; I57-Q61 HydrophobicContact CG2-CB 3.95Å; I57-Q61 HydrophobicContact CG2-CG 4Å; I57-I62 HydrophobicContact CB-CG1 4.38Å; I57-I62 HydrophobicContact CG2-CD1 4.34Å; I57-I62 HydrophobicContact CG2-CG1 3.54Å; I57-V88 HydrophobicContact CD1-CG2 3.73Å
58	T	84.6	Confident	82	Confident	61 Å²	61	63.1 Å²	63.1	37%	0.374	33%	0.327	S	S	.	.			trans	-78.3	147.4	173.4	63.7	0	0	0	0	110.2	V47 A60 Q61 I62	V47-T58 HydrophobicContact CG1-CG2 4Å; T58-A60 PolarHBondContact O-N 3.33Å; T58-A60 VanDerWaalsContact O-N 3.17Å; T58-Q61 WeakPolarHBondContact O-CA 3.33Å; T58-Q61 WeakPolarHBondContact O-CB 3.48Å; T58-Q61 PolarHBondContact O-N 3.32Å; T58-Q61 WeakPolarHBondContact OG1-CB 3.33Å; T58-Q61 PolarHBondContact OG1-N 2.99Å; T58-I62 PolarHBondContact O-N 3.29Å; T58-I62 VanDerWaalsContact O-N 3.09Å
59	P	81.8	Confident	82.3	Confident	13 Å²	13	64.3 Å²	64.3	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-26.6	179.9	-17.9	25.5	0	0	0	114.8	E46 Q61 S63 R96	E46-P59 HydrophobicContact CG-CG 3.97Å; E46-P59 WeakPolarHBondContact O-CD 3.48Å; P59-Q61 VanDerWaalsContact C-N 3.34Å; P59-S63 PolarHBondContact O-N 3.02Å; P59-S63 VanDerWaalsContact O-N 3.08Å; P59-S63 PolarHBondContact O-OG 2.73Å; P59-R96 VanDerWaalsContact CB-NE 3.31Å
60	A	82.8	Confident	82.6	Confident	72 Å²	72	60.9 Å²	60.9	60%	0.595	32%	0.316	S	S	*	.	H	α-helix	trans	-66.6	-36.9	172.3	0	0	0	0	0	111.9	T58 S63 K64	T58-A60 PolarHBondContact O-N 3.33Å; T58-A60 VanDerWaalsContact O-N 3.17Å; A60-S63 PolarHBondContact O-N 3.43Å; A60-K64 PolarHBondContact O-N 3.02Å
61	Q	84.4	Confident	82.8	Confident	73 Å²	73	67.7 Å²	67.7	34%	0.341	35%	0.347	S	S	.	.	H	α-helix	trans	-69.5	-42.8	175.5	-176.9	62.1	18	0	0	111.3	I57 T58 P59 S63 K64 E65	I57-Q61 HydrophobicContact CG2-CB 3.95Å; I57-Q61 HydrophobicContact CG2-CG 4Å; T58-Q61 WeakPolarHBondContact O-CA 3.33Å; T58-Q61 WeakPolarHBondContact O-CB 3.48Å; T58-Q61 PolarHBondContact O-N 3.32Å; T58-Q61 WeakPolarHBondContact OG1-CB 3.33Å; T58-Q61 PolarHBondContact OG1-N 2.99Å; P59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-S63 VanDerWaalsContact C-N 3.26Å; Q61-S63 PolarHBondContact O-N 3.16Å; Q61-K64 WeakPolarHBondContact O-CB 3.28Å; Q61-K64 PolarHBondContact O-N 2.8Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.44Å; Q61-E65 PolarHBondContact NE2-OE1 2.89Å; Q61-E65 PolarHBondContact O-N 3.41Å
62	I	84.8	Confident	83.1	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-54.9	-46.4	172.5	-60.6	173.5	0	0	0	110.2	V48 I57 T58 K64 E65 M66 V88	V48-I62 HydrophobicContact CB-CD1 4.32Å; V48-I62 HydrophobicContact CG2-CD1 4.28Å; I57-I62 HydrophobicContact CB-CG1 4.38Å; I57-I62 HydrophobicContact CG2-CD1 4.34Å; I57-I62 HydrophobicContact CG2-CG1 3.54Å; T58-I62 PolarHBondContact O-N 3.29Å; T58-I62 VanDerWaalsContact O-N 3.09Å; I62-K64 VanDerWaalsContact C-N 3.27Å; I62-K64 PolarHBondContact O-N 2.91Å; I62-E65 PolarHBondContact O-N 3.36Å; I62-M66 HydrophobicContact CG2-CG 4.35Å; I62-M66 HydrophobicContact CG2-SD 3.92Å; I62-M66 WeakPolarHBondContact O-CB 3.37Å; I62-M66 VanDerWaalsContact O-CG 3.22Å; I62-M66 WeakPolarHBondContact O-CG 3.32Å; I62-M66 PolarHBondContact O-N 2.97Å; I62-V88 HydrophobicContact CD1-CG1 4.08Å; I62-V88 HydrophobicContact CD1-CG2 4.41Å
63	S	84.5	Confident	83.4	Confident	17 Å²	17	68 Å²	68	12%	0.119	35%	0.346	C	S	.	.	H	α-helix	trans	-65.2	-31	179.7	-55.4	0	0	0	0	113	P59 A60 Q61 R67	P59-S63 PolarHBondContact O-N 3.02Å; P59-S63 VanDerWaalsContact O-N 3.08Å; P59-S63 PolarHBondContact O-OG 2.73Å; A60-S63 PolarHBondContact O-N 3.43Å; Q61-S63 VanDerWaalsContact C-N 3.26Å; Q61-S63 PolarHBondContact O-N 3.16Å; S63-R67 WeakPolarHBondContact O-CG 3.49Å; S63-R67 PolarHBondContact O-N 3.18Å; S63-R67 PolarHBondContact O-NE 3.41Å
64	K	85.8	Confident	83.5	Confident	103 Å²	103	66.6 Å²	66.6	45%	0.448	33%	0.331	S	S	.	.	H	α-helix	trans	-74	-47.1	175.9	-174.9	-174.9	173	-171.1	0	110.8	A60 Q61 I62 M66 R67 D68	A60-K64 PolarHBondContact O-N 3.02Å; Q61-K64 WeakPolarHBondContact O-CB 3.28Å; Q61-K64 PolarHBondContact O-N 2.8Å; I62-K64 VanDerWaalsContact C-N 3.27Å; I62-K64 PolarHBondContact O-N 2.91Å; K64-M66 VanDerWaalsContact C-N 3.33Å; K64-M66 PolarHBondContact O-N 3.2Å; K64-R67 WeakPolarHBondContact O-CB 3.29Å; K64-R67 PolarHBondContact O-N 3.26Å; K64-R67 VanDerWaalsContact O-N 3.09Å; K64-D68 PolarHBondContact O-N 3.05Å
65	E	86.6	Confident	83.9	Confident	57 Å²	57	58.4 Å²	58.4	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-39.5	178.2	-73.2	172.5	-168.5	0	0	112	Q61 I62 R67 D68 E69 I86	Q61-E65 WeakPolarHBondContact CG-OE1 3.44Å; Q61-E65 PolarHBondContact NE2-OE1 2.89Å; Q61-E65 PolarHBondContact O-N 3.41Å; I62-E65 PolarHBondContact O-N 3.36Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 2.89Å; E65-D68 PolarHBondContact O-N 2.91Å; E65-E69 VanDerWaalsContact O-CB 3.24Å; E65-E69 WeakPolarHBondContact O-CB 3.38Å; E65-E69 PolarHBondContact O-N 2.68Å; E65-I86 HydrophobicContact CB-CD1 4.3Å; E65-I86 HydrophobicContact CB-CG1 4.28Å
66	M	85.3	Confident	84.3	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-39.3	172.5	-73.3	175.7	70.5	0	0	112.8	I62 K64 L70 L82 I86 I93 R96 I97 I100 L114	I62-M66 HydrophobicContact CG2-CG 4.35Å; I62-M66 HydrophobicContact CG2-SD 3.92Å; I62-M66 WeakPolarHBondContact O-CB 3.37Å; I62-M66 VanDerWaalsContact O-CG 3.22Å; I62-M66 WeakPolarHBondContact O-CG 3.32Å; I62-M66 PolarHBondContact O-N 2.97Å; K64-M66 VanDerWaalsContact C-N 3.33Å; K64-M66 PolarHBondContact O-N 3.2Å; M66-L70 VanDerWaalsContact O-CB 3.26Å; M66-L70 WeakPolarHBondContact O-CB 3.1Å; M66-L70 PolarHBondContact O-N 3.05Å; M66-L82 HydrophobicContact CE-CD1 4.29Å; M66-I86 HydrophobicContact CB-CD1 4.37Å; M66-I86 HydrophobicContact CG-CD1 3.39Å; M66-I93 HydrophobicContact CE-CG2 3.94Å; M66-I93 HydrophobicContact SD-CG2 4.16Å; M66-R96 HydrophobicContact SD-CB 4.23Å; M66-I97 HydrophobicContact CE-CB 4.44Å; M66-I97 HydrophobicContact CE-CD1 4.12Å; M66-I97 HydrophobicContact CE-CG1 3.28Å; M66-I100 HydrophobicContact CB-CD1 3.95Å; M66-I100 HydrophobicContact CE-CD1 3.63Å; M66-I100 HydrophobicContact SD-CD1 3.86Å; M66-L114 HydrophobicContact CE-CD1 3.98Å
67	R	84.4	Confident	84.6	Confident	104 Å²	104	51.5 Å²	51.5	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-70.7	-44.8	177.3	-81.3	-179.3	-87.5	131.5	-11.9	111.8	S63 K64 E65 E69 L70 H71 E104	S63-R67 WeakPolarHBondContact O-CG 3.49Å; S63-R67 PolarHBondContact O-N 3.18Å; S63-R67 PolarHBondContact O-NE 3.41Å; K64-R67 WeakPolarHBondContact O-CB 3.29Å; K64-R67 PolarHBondContact O-N 3.26Å; K64-R67 VanDerWaalsContact O-N 3.09Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 2.89Å; R67-E69 VanDerWaalsContact C-N 3.34Å; R67-L70 PolarHBondContact O-N 3.3Å; R67-H71 WeakPolarHBondContact O-CB 3.37Å; R67-H71 PolarHBondContact O-N 2.98Å; R67-E104 VanDerWaalsContact CD-OE1 3.3Å; R67-E104 WeakPolarHBondContact CD-OE1 3.48Å
68	D	86.2	Confident	84.8	Confident	81 Å²	81	53.4 Å²	53.4	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-44	178.1	-68	-16.1	0	0	0	109.9	K64 E65 H71 V72	K64-D68 PolarHBondContact O-N 3.05Å; E65-D68 PolarHBondContact O-N 2.91Å; D68-H71 PolarHBondContact O-N 3.46Å; D68-V72 WeakPolarHBondContact O-CB 3.49Å; D68-V72 WeakPolarHBondContact O-CG2 3.37Å; D68-V72 PolarHBondContact O-N 3.25Å
69	E	85.8	Confident	84.9	Confident	37 Å²	37	51.1 Å²	51.1	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-38.4	177.7	-169	62.5	-165.1	0	0	112.4	E65 R67 H71 V72 R73 L82 V85	E65-E69 VanDerWaalsContact O-CB 3.24Å; E65-E69 WeakPolarHBondContact O-CB 3.38Å; E65-E69 PolarHBondContact O-N 2.68Å; R67-E69 VanDerWaalsContact C-N 3.34Å; E69-H71 VanDerWaalsContact C-N 3.3Å; E69-H71 PolarHBondContact O-N 3.41Å; E69-V72 PolarHBondContact O-N 3.29Å; E69-R73 WeakPolarHBondContact O-CB 3.31Å; E69-R73 PolarHBondContact O-N 3.33Å; E69-R73 WeakPolarHBondContact OE1-CD 3.43Å; E69-R73 IonicContact OE1-CZ 3.45Å; E69-R73 IonicContact OE1-NE 2.74Å; E69-R73 PolarHBondContact OE1-NE 3.41Å; E69-R73 IonicContact OE1-NH2 3.77Å; E69-R73 PolarHBondContact OE1-NH2 3.07Å; E69-L82 HydrophobicContact CB-CD2 3.94Å; E69-L82 HydrophobicContact CG-CD2 3.78Å; E69-V85 HydrophobicContact CG-CG1 4.44Å
70	L	86.1	Confident	85.1	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-60.1	-42.1	172.7	-177.9	63	0	0	0	111.3	M66 R67 G74 G75 V77 V107 L114 D116	M66-L70 VanDerWaalsContact O-CB 3.26Å; M66-L70 WeakPolarHBondContact O-CB 3.1Å; M66-L70 PolarHBondContact O-N 3.05Å; R67-L70 PolarHBondContact O-N 3.3Å; L70-G74 PolarHBondContact O-N 3.39Å; L70-G75 VanDerWaalsContact CD1-C 3.5Å; L70-G75 WeakPolarHBondContact O-CA 3.42Å; L70-G75 PolarHBondContact O-N 3.25Å; L70-V77 HydrophobicContact CB-CG2 4.44Å; L70-V77 HydrophobicContact CD1-CG2 3.95Å; L70-V107 HydrophobicContact CD2-CG1 4.04Å; L70-V107 HydrophobicContact CD2-CG2 3.9Å; L70-L114 HydrophobicContact CD1-CB 4.21Å; L70-D116 HydrophobicContact CD2-CB 4.48Å
71	H	85.2	Confident	85.2	Confident	151 Å²	151	53 Å²	53	70%	0.699	26%	0.261	S	S	*	.	H	α-helix	trans	-69.5	-45.3	177.7	-171.8	73.9	0	0	0	112.3	R67 D68 E69 R73 G74	R67-H71 WeakPolarHBondContact O-CB 3.37Å; R67-H71 PolarHBondContact O-N 2.98Å; D68-H71 PolarHBondContact O-N 3.46Å; E69-H71 VanDerWaalsContact C-N 3.3Å; E69-H71 PolarHBondContact O-N 3.41Å; H71-R73 VanDerWaalsContact C-N 3.33Å; H71-R73 PolarHBondContact O-N 3.29Å; H71-G74 PolarHBondContact O-N 2.99Å
72	V	86.4	Confident	85.2	Confident	111 Å²	111	49.6 Å²	49.6	67%	0.673	25%	0.245	S	C	*	.	H	α-helix	trans	-62	-40.5	-179.6	168.5	0	0	0	0	111.4	D68 E69 G74	D68-V72 WeakPolarHBondContact O-CB 3.49Å; D68-V72 WeakPolarHBondContact O-CG2 3.37Å; D68-V72 PolarHBondContact O-N 3.25Å; E69-V72 PolarHBondContact O-N 3.29Å; V72-G74 PolarHBondContact O-N 3.4Å
73	R	82.4	Confident	85.3	Confident	99 Å²	99	51.6 Å²	51.6	37%	0.374	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	10.9	175.8	-67.2	-170.6	178.1	-160.1	9.3	113.9	E69 H71 G75 V77 D81	E69-R73 WeakPolarHBondContact O-CB 3.31Å; E69-R73 PolarHBondContact O-N 3.33Å; E69-R73 WeakPolarHBondContact OE1-CD 3.43Å; E69-R73 IonicContact OE1-CZ 3.45Å; E69-R73 IonicContact OE1-NE 2.74Å; E69-R73 PolarHBondContact OE1-NE 3.41Å; E69-R73 IonicContact OE1-NH2 3.77Å; E69-R73 PolarHBondContact OE1-NH2 3.07Å; H71-R73 VanDerWaalsContact C-N 3.33Å; H71-R73 PolarHBondContact O-N 3.29Å; R73-G75 VanDerWaalsContact C-N 3.33Å; R73-G75 PolarHBondContact O-N 2.94Å; R73-V77 HydrophobicContact CB-CG2 3.82Å; R73-V77 HydrophobicContact CG-CG2 4.25Å; R73-D81 IonicContact NH1-OD2 3.18Å; R73-D81 PolarHBondContact NH1-OD2 3.23Å
74	G	76.9	Confident	85.3	Confident	20 Å²	20	57.6 Å²	57.6	21%	0.206	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	19.7	172.3	0	0	0	0	0	114.7	L70 H71 V72 R122	L70-G74 PolarHBondContact O-N 3.39Å; H71-G74 PolarHBondContact O-N 2.99Å; V72-G74 PolarHBondContact O-N 3.4Å; G74-R122 PolarHBondContact O-NH1 3.41Å
75	G	82.4	Confident	85.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.01	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	10.1	171.1	0	0	0	0	0	115.9	L70 R73 I115 D116	L70-G75 VanDerWaalsContact CD1-C 3.5Å; L70-G75 WeakPolarHBondContact O-CA 3.42Å; L70-G75 PolarHBondContact O-N 3.25Å; R73-G75 VanDerWaalsContact C-N 3.33Å; R73-G75 PolarHBondContact O-N 2.94Å; G75-I115 CarbonylContact O-C 3.59Å; G75-I115 WeakPolarHBondContact O-CA 3.33Å; G75-D116 PolarHBondContact O-N 2.7Å
76	R	88.1	Confident	85	Confident	51 Å²	51	53.9 Å²	53.9	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	123.4	173	-179.6	177	179	-172.9	1.5	111.8	Q113 L114 I115 Y119 Y146 D147	R76-Q113 VanDerWaalsContact CZ-OE1 3.26Å; R76-L114 VanDerWaalsContact CA-O 3.3Å; R76-L114 WeakPolarHBondContact CA-O 3.42Å; R76-I115 HydrophobicContact CG-CG1 4.34Å; R76-Y119 HydrophobicContact CB-CD1 4.39Å; R76-Y119 HydrophobicContact CB-CD2 4.1Å; R76-Y119 HydrophobicContact CB-CE1 4.37Å; R76-Y119 HydrophobicContact CB-CE2 4.09Å; R76-Y119 HydrophobicContact CB-CG 4.25Å; R76-Y119 PolarHBondContact NH1-OH 2.87Å; R76-Y119 VanDerWaalsContact NH1-OH 3.15Å; R76-Y146 VanDerWaalsContact CZ-O 3.31Å; R76-Y146 PolarHBondContact NH1-O 2.98Å; R76-Y146 PolarHBondContact NH2-O 3.07Å; R76-D147 PolarHBondContact NH2-O 3.42Å
77	V	88.4	Confident	85	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	136.7	178.1	-162.4	0	0	0	0	112	L70 R73 D81 L82 Q113 L114	L70-V77 HydrophobicContact CB-CG2 4.44Å; L70-V77 HydrophobicContact CD1-CG2 3.95Å; R73-V77 HydrophobicContact CB-CG2 3.82Å; R73-V77 HydrophobicContact CG-CG2 4.25Å; V77-D81 HydrophobicContact CG1-CB 4.41Å; V77-L82 HydrophobicContact CB-CD1 4.4Å; V77-L82 HydrophobicContact CB-CD2 4.35Å; V77-L82 HydrophobicContact CB-CG 4.24Å; V77-L82 HydrophobicContact CG1-CD1 4.26Å; V77-L82 HydrophobicContact CG1-CD2 3.74Å; V77-L82 HydrophobicContact CG1-CG 3.59Å; V77-Q113 CarbonylContact O-C 3.58Å; V77-Q113 WeakPolarHBondContact O-CA 3.15Å; V77-L114 PolarHBondContact N-O 3.42Å; V77-L114 PolarHBondContact O-N 3.42Å
78	N	88	Confident	85	Confident	54 Å²	54	51 Å²	51	29%	0.289	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.7	170.7	-172.1	-22.6	0	0	0	110.4	V80 D81 L82 G112 Q113	N78-V80 PolarHBondContact O-N 2.69Å; N78-V80 PolarHBondContact OD1-N 3.23Å; N78-V80 VanDerWaalsContact OD1-N 3.08Å; N78-D81 HydrophobicContact CB-CB 4.38Å; N78-D81 WeakPolarHBondContact O-CB 3.39Å; N78-D81 PolarHBondContact O-N 3.01Å; N78-D81 VanDerWaalsContact O-N 3.09Å; N78-L82 PolarHBondContact O-N 3.17Å; N78-G112 PolarHBondContact OD1-O 2.8Å; N78-Q113 HydrophobicContact CB-CG 4.45Å
79	I	86	Confident	84.8	Confident	13 Å²	13	49.9 Å²	49.9	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-35.6	178.4	-58.5	172	0	0	0	111.8	D81 L82 Q83 L90 I93 I97 L109 G112	I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 3.21Å; I79-L82 WeakPolarHBondContact O-CB 3.22Å; I79-L82 PolarHBondContact O-N 3.04Å; I79-Q83 PolarHBondContact O-N 2.92Å; I79-L90 HydrophobicContact CG2-CD1 3.43Å; I79-L90 VanDerWaalsContact CG2-CD1 3.43Å; I79-I93 HydrophobicContact CG2-CG2 3.86Å; I79-I97 HydrophobicContact CB-CD1 4.36Å; I79-I97 HydrophobicContact CD1-CD1 3.41Å; I79-I97 VanDerWaalsContact CD1-CD1 3.41Å; I79-I97 HydrophobicContact CG1-CD1 3.47Å; I79-I97 VanDerWaalsContact CG1-CD1 3.47Å; I79-I97 HydrophobicContact CG2-CD1 3.93Å; I79-L109 HydrophobicContact CD1-CD1 3.69Å; I79-L109 HydrophobicContact CG1-CD1 4.35Å; I79-G112 VanDerWaalsContact CG1-O 3.23Å; I79-G112 WeakPolarHBondContact CG1-O 3.43Å; I79-G112 PolarHBondContact N-O 2.79Å
80	V	85.9	Confident	84.7	Confident	70 Å²	70	50.5 Å²	50.5	42%	0.424	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-36.4	177.9	-178.4	0	0	0	0	111.3	N78 Q83 Q84	N78-V80 PolarHBondContact O-N 2.69Å; N78-V80 PolarHBondContact OD1-N 3.23Å; N78-V80 VanDerWaalsContact OD1-N 3.08Å; V80-Q83 WeakPolarHBondContact O-CB 3.3Å; V80-Q83 PolarHBondContact O-N 2.98Å; V80-Q84 PolarHBondContact O-N 3.43Å
81	D	85.1	Confident	84.6	Confident	55 Å²	55	54.6 Å²	54.6	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-70.2	-37.6	175.3	-62	-11.5	0	0	0	110.9	R73 V77 N78 I79 Q83 Q84 V85	R73-D81 IonicContact NH1-OD2 3.18Å; R73-D81 PolarHBondContact NH1-OD2 3.23Å; V77-D81 HydrophobicContact CG1-CB 4.41Å; N78-D81 HydrophobicContact CB-CB 4.38Å; N78-D81 WeakPolarHBondContact O-CB 3.39Å; N78-D81 PolarHBondContact O-N 3.01Å; N78-D81 VanDerWaalsContact O-N 3.09Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-D81 PolarHBondContact O-N 3.21Å; D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 PolarHBondContact O-N 3.04Å; D81-Q84 PolarHBondContact O-N 3.29Å; D81-V85 WeakPolarHBondContact O-CG2 3.3Å; D81-V85 PolarHBondContact O-N 3.38Å
82	L	85.6	Confident	84.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-40.6	173.5	-72.6	170.5	0	0	0	111.2	M66 E69 V77 N78 I79 Q84 V85 I86 L114	M66-L82 HydrophobicContact CE-CD1 4.29Å; E69-L82 HydrophobicContact CB-CD2 3.94Å; E69-L82 HydrophobicContact CG-CD2 3.78Å; V77-L82 HydrophobicContact CB-CD1 4.4Å; V77-L82 HydrophobicContact CB-CD2 4.35Å; V77-L82 HydrophobicContact CB-CG 4.24Å; V77-L82 HydrophobicContact CG1-CD1 4.26Å; V77-L82 HydrophobicContact CG1-CD2 3.74Å; V77-L82 HydrophobicContact CG1-CG 3.59Å; N78-L82 PolarHBondContact O-N 3.17Å; I79-L82 WeakPolarHBondContact O-CB 3.22Å; I79-L82 PolarHBondContact O-N 3.04Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 2.92Å; L82-V85 PolarHBondContact O-N 3.46Å; L82-I86 HydrophobicContact CB-CD1 4.38Å; L82-I86 HydrophobicContact CD2-CD1 4.25Å; L82-I86 VanDerWaalsContact O-CB 3.25Å; L82-I86 WeakPolarHBondContact O-CB 3.33Å; L82-I86 VanDerWaalsContact O-CG1 3.32Å; L82-I86 WeakPolarHBondContact O-CG1 3.31Å; L82-I86 PolarHBondContact O-N 2.87Å; L82-L114 HydrophobicContact CD1-CD1 3.76Å
83	Q	85.3	Confident	84.3	Confident	42 Å²	42	45.6 Å²	45.6	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-42.6	174.4	169.4	169.5	32	0	0	112.4	L51 I79 V80 D81 N87 V88 I93	L51-Q83 HydrophobicContact CD1-CG 4.47Å; I79-Q83 PolarHBondContact O-N 2.92Å; V80-Q83 WeakPolarHBondContact O-CB 3.3Å; V80-Q83 PolarHBondContact O-N 2.98Å; D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 PolarHBondContact O-N 3.04Å; Q83-N87 VanDerWaalsContact O-CA 3.29Å; Q83-N87 WeakPolarHBondContact O-CA 3.21Å; Q83-N87 PolarHBondContact O-N 2.98Å; Q83-V88 WeakPolarHBondContact CG-O 3.43Å; Q83-I93 HydrophobicContact CB-CD1 3.81Å
84	Q	84.5	Confident	84.4	Confident	144 Å²	144	45.9 Å²	45.9	67%	0.673	24%	0.238	S	C	*	.	H	α-helix	trans	-69.7	-39.6	179.2	-67.7	180	10.3	0	0	112.7	V80 D81 L82	V80-Q84 PolarHBondContact O-N 3.43Å; D81-Q84 PolarHBondContact O-N 3.29Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 2.92Å
85	V	84.1	Confident	84.7	Confident	73 Å²	73	49.8 Å²	49.8	44%	0.442	25%	0.254	S	S	.	.	H	α-helix	trans	-75.2	-43	-177.6	176.1	0	0	0	0	111.6	E69 D81 L82 N87	E69-V85 HydrophobicContact CG-CG1 4.44Å; D81-V85 WeakPolarHBondContact O-CG2 3.3Å; D81-V85 PolarHBondContact O-N 3.38Å; L82-V85 PolarHBondContact O-N 3.46Å; V85-N87 VanDerWaalsContact C-N 3.34Å
86	I	83.8	Confident	84.7	Confident	9 Å²	9	52.3 Å²	52.3	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-82	-17.7	-178.8	-59.4	174.3	0	0	0	111.1	E65 M66 L82 V88	E65-I86 HydrophobicContact CB-CD1 4.3Å; E65-I86 HydrophobicContact CB-CG1 4.28Å; M66-I86 HydrophobicContact CB-CD1 4.37Å; M66-I86 HydrophobicContact CG-CD1 3.39Å; L82-I86 HydrophobicContact CB-CD1 4.38Å; L82-I86 HydrophobicContact CD2-CD1 4.25Å; L82-I86 VanDerWaalsContact O-CB 3.25Å; L82-I86 WeakPolarHBondContact O-CB 3.33Å; L82-I86 VanDerWaalsContact O-CG1 3.32Å; L82-I86 WeakPolarHBondContact O-CG1 3.31Å; L82-I86 PolarHBondContact O-N 2.87Å; I86-V88 VanDerWaalsContact C-N 3.28Å; I86-V88 HydrophobicContact CG2-CB 4.07Å; I86-V88 HydrophobicContact CG2-CG2 3.8Å; I86-V88 PolarHBondContact O-N 2.88Å
87	N	84.4	Confident	84.5	Confident	44 Å²	44	50.1 Å²	50.1	24%	0.235	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	36.6	179.9	-162.7	26	0	0	0	113.7	T50 L51 D52 Q83 V85	T50-N87 CarbonylContact C-O 3.54Å; T50-N87 WeakPolarHBondContact CA-O 3.34Å; T50-N87 WeakPolarHBondContact CB-O 3.5Å; L51-N87 PolarHBondContact N-O 3.3Å; D52-N87 PolarHBondContact OD2-ND2 2.89Å; Q83-N87 VanDerWaalsContact O-CA 3.29Å; Q83-N87 WeakPolarHBondContact O-CA 3.21Å; Q83-N87 PolarHBondContact O-N 2.98Å; V85-N87 VanDerWaalsContact C-N 3.34Å
88	V	84.1	Confident	84.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.			trans	-123.3	146.2	-179	172	0	0	0	0	109.7	V48 I57 I62 Q83 I86 H92	V48-V88 HydrophobicContact CG1-CG1 3.81Å; I57-V88 HydrophobicContact CD1-CG2 3.73Å; I62-V88 HydrophobicContact CD1-CG1 4.08Å; I62-V88 HydrophobicContact CD1-CG2 4.41Å; Q83-V88 WeakPolarHBondContact CG-O 3.43Å; I86-V88 VanDerWaalsContact C-N 3.28Å; I86-V88 HydrophobicContact CG2-CB 4.07Å; I86-V88 HydrophobicContact CG2-CG2 3.8Å; I86-V88 PolarHBondContact O-N 2.88Å; V88-H92 HydrophobicContact CG1-CB 3.75Å
89	D	82.9	Confident	83.9	Confident	59 Å²	59	52.1 Å²	52.1	32%	0.316	27%	0.273	S	S	.	.			trans	-58.2	145.1	179.4	-171.3	31.8	0	0	0	113.3	L51 I91 H92 I93	L51-D89 HydrophobicContact CD2-CB 4.11Å; D89-I91 PolarHBondContact O-N 3.32Å; D89-I91 VanDerWaalsContact O-N 3.15Å; D89-H92 PolarHBondContact O-N 3.43Å; D89-H92 VanDerWaalsContact O-N 3.07Å; D89-I93 PolarHBondContact O-N 2.85Å
90	L	83.1	Confident	83.7	Confident	49 Å²	49	51.8 Å²	51.8	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-36.2	-172.1	-171.1	69.7	0	0	0	112.1	I79 H92 I93 E94	I79-L90 HydrophobicContact CG2-CD1 3.43Å; I79-L90 VanDerWaalsContact CG2-CD1 3.43Å; L90-H92 VanDerWaalsContact C-N 3.29Å; L90-H92 PolarHBondContact O-N 3Å; L90-I93 PolarHBondContact O-N 3.33Å; L90-I93 VanDerWaalsContact O-N 3.11Å; L90-E94 HydrophobicContact CG-CG 4.19Å; L90-E94 WeakPolarHBondContact O-CG 3.28Å; L90-E94 PolarHBondContact O-N 3.44Å
91	I	84.4	Confident	83.6	Confident	98 Å²	98	51.3 Å²	51.3	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-40.5	-179	-60	173.4	0	0	0	111.1	D89 N95	D89-I91 PolarHBondContact O-N 3.32Å; D89-I91 VanDerWaalsContact O-N 3.15Å; I91-N95 WeakPolarHBondContact O-CB 3.28Å; I91-N95 VanDerWaalsContact O-CG 3.27Å; I91-N95 PolarHBondContact O-N 2.91Å; I91-N95 PolarHBondContact O-ND2 3.11Å
92	H	82.3	Confident	83.4	Confident	73 Å²	73	56.5 Å²	56.5	34%	0.338	29%	0.286	S	S	.	.	H	α-helix	trans	-73.8	-31.8	179.7	-65.6	-65.1	0	0	0	111.7	V48 V88 D89 L90 R96	V48-H92 HydrophobicContact CG1-CB 4.31Å; V48-H92 WeakPolarHBondContact CG1-CD2 3.43Å; V48-H92 HydrophobicContact CG2-CB 4.44Å; V88-H92 HydrophobicContact CG1-CB 3.75Å; D89-H92 PolarHBondContact O-N 3.43Å; D89-H92 VanDerWaalsContact O-N 3.07Å; L90-H92 VanDerWaalsContact C-N 3.29Å; L90-H92 PolarHBondContact O-N 3Å; H92-R96 VanDerWaalsContact O-CG 3.26Å; H92-R96 WeakPolarHBondContact O-CG 3.35Å; H92-R96 PolarHBondContact O-N 3.37Å
93	I	83.6	Confident	83.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-70.6	-49.3	175.7	-62.9	174.6	0	0	0	110.2	M66 I79 Q83 D89 L90 N95 R96 I97	M66-I93 HydrophobicContact CE-CG2 3.94Å; M66-I93 HydrophobicContact SD-CG2 4.16Å; I79-I93 HydrophobicContact CG2-CG2 3.86Å; Q83-I93 HydrophobicContact CB-CD1 3.81Å; D89-I93 PolarHBondContact O-N 2.85Å; L90-I93 PolarHBondContact O-N 3.33Å; L90-I93 VanDerWaalsContact O-N 3.11Å; I93-N95 VanDerWaalsContact C-N 3.34Å; I93-N95 PolarHBondContact O-N 3.12Å; I93-R96 PolarHBondContact O-N 3.38Å; I93-I97 HydrophobicContact CG2-CD1 3.99Å; I93-I97 HydrophobicContact CG2-CG1 4.35Å; I93-I97 WeakPolarHBondContact O-CG1 3.48Å; I93-I97 PolarHBondContact O-N 3.37Å
94	E	83.7	Confident	82.9	Confident	105 Å²	105	60.9 Å²	60.9	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-42	178.9	-74.1	-177.7	164.1	0	0	112.9	L90 R96 I97 G98	L90-E94 HydrophobicContact CG-CG 4.19Å; L90-E94 WeakPolarHBondContact O-CG 3.28Å; L90-E94 PolarHBondContact O-N 3.44Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.85Å; E94-I97 PolarHBondContact O-N 2.93Å; E94-G98 PolarHBondContact O-N 3.27Å
95	N	83.8	Confident	82.6	Confident	102 Å²	102	63.1 Å²	63.1	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-39.1	175.4	-77.2	-42.6	0	0	0	111.8	I91 I93	I91-N95 WeakPolarHBondContact O-CB 3.28Å; I91-N95 VanDerWaalsContact O-CG 3.27Å; I91-N95 PolarHBondContact O-N 2.91Å; I91-N95 PolarHBondContact O-ND2 3.11Å; I93-N95 VanDerWaalsContact C-N 3.34Å; I93-N95 PolarHBondContact O-N 3.12Å
96	R	82.8	Confident	82.5	Confident	55 Å²	55	63.1 Å²	63.1	21%	0.208	32%	0.319	C	S	.	.	H	α-helix	trans	-79.6	-28.4	-179.8	-64.4	-59	172.1	-169.8	4	113.6	E46 P59 M66 H92 I93 E94 G98 D99 I100	E46-R96 IonicContact OE1-NH2 3.65Å; E46-R96 PolarHBondContact OE1-NH2 3.48Å; P59-R96 VanDerWaalsContact CB-NE 3.31Å; M66-R96 HydrophobicContact SD-CB 4.23Å; H92-R96 VanDerWaalsContact O-CG 3.26Å; H92-R96 WeakPolarHBondContact O-CG 3.35Å; H92-R96 PolarHBondContact O-N 3.37Å; I93-R96 PolarHBondContact O-N 3.38Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.85Å; R96-G98 PolarHBondContact O-N 3.24Å; R96-D99 IonicContact CZ-OD2 3.94Å; R96-D99 IonicContact NH1-OD2 3.07Å; R96-D99 PolarHBondContact NH1-OD2 3.36Å; R96-D99 WeakPolarHBondContact O-CB 3.45Å; R96-D99 PolarHBondContact O-N 3.22Å; R96-I100 WeakPolarHBondContact O-CG1 3.44Å; R96-I100 PolarHBondContact O-N 3.49Å
97	I	83.4	Confident	82.5	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-55	-43.3	169.2	-72.1	172.6	0	0	0	110.8	M66 I79 I93 E94 D99 I100 I101 L109 L114	M66-I97 HydrophobicContact CE-CB 4.44Å; M66-I97 HydrophobicContact CE-CD1 4.12Å; M66-I97 HydrophobicContact CE-CG1 3.28Å; I79-I97 HydrophobicContact CB-CD1 4.36Å; I79-I97 HydrophobicContact CD1-CD1 3.41Å; I79-I97 VanDerWaalsContact CD1-CD1 3.41Å; I79-I97 HydrophobicContact CG1-CD1 3.47Å; I79-I97 VanDerWaalsContact CG1-CD1 3.47Å; I79-I97 HydrophobicContact CG2-CD1 3.93Å; I93-I97 HydrophobicContact CG2-CD1 3.99Å; I93-I97 HydrophobicContact CG2-CG1 4.35Å; I93-I97 WeakPolarHBondContact O-CG1 3.48Å; I93-I97 PolarHBondContact O-N 3.37Å; E94-I97 PolarHBondContact O-N 2.93Å; I97-D99 PolarHBondContact O-N 3.04Å; I97-I100 PolarHBondContact O-N 2.97Å; I97-I101 HydrophobicContact CG2-CD1 3.58Å; I97-I101 HydrophobicContact CG2-CG1 4.23Å; I97-I101 WeakPolarHBondContact O-CG1 3.36Å; I97-I101 PolarHBondContact O-N 3.47Å; I97-L109 HydrophobicContact CG2-CD1 4.47Å; I97-L109 HydrophobicContact CG2-CD2 4.1Å; I97-L114 HydrophobicContact CD1-CD1 4.42Å; I97-L114 HydrophobicContact CD1-CD2 4.46Å; I97-L114 HydrophobicContact CG1-CD1 4.18Å; I97-L114 HydrophobicContact CG1-CD2 4.3Å; I97-L114 HydrophobicContact CG2-CD2 3.76Å
98	G	80	Confident	82.6	Confident	29 Å²	29	64.4 Å²	64.4	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-33.6	177	0	0	0	0	0	113.7	E94 R96 K102	E94-G98 PolarHBondContact O-N 3.27Å; R96-G98 PolarHBondContact O-N 3.24Å; G98-K102 WeakPolarHBondContact O-CD 3.09Å; G98-K102 VanDerWaalsContact O-CG 3.26Å; G98-K102 WeakPolarHBondContact O-CG 3.33Å; G98-K102 PolarHBondContact O-N 3.05Å
99	D	82.2	Confident	82.6	Confident	69 Å²	69	68.2 Å²	68.2	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-76.4	-38.1	175.8	-66.6	-25.2	0	0	0	111.6	R96 I97 K102 S103	R96-D99 IonicContact CZ-OD2 3.94Å; R96-D99 IonicContact NH1-OD2 3.07Å; R96-D99 PolarHBondContact NH1-OD2 3.36Å; R96-D99 WeakPolarHBondContact O-CB 3.45Å; R96-D99 PolarHBondContact O-N 3.22Å; I97-D99 PolarHBondContact O-N 3.04Å; D99-K102 PolarHBondContact O-N 3.49Å; D99-S103 WeakPolarHBondContact O-CB 3.07Å; D99-S103 PolarHBondContact O-N 3.16Å; D99-S103 PolarHBondContact O-OG 3.37Å
100	I	82.1	Confident	82.6	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-46.9	177.2	-67.9	169	0	0	0	110.5	M66 R96 I97 K102 S103 E104	M66-I100 HydrophobicContact CB-CD1 3.95Å; M66-I100 HydrophobicContact CE-CD1 3.63Å; M66-I100 HydrophobicContact SD-CD1 3.86Å; R96-I100 WeakPolarHBondContact O-CG1 3.44Å; R96-I100 PolarHBondContact O-N 3.49Å; I97-I100 PolarHBondContact O-N 2.97Å; I100-K102 VanDerWaalsContact C-N 3.25Å; I100-K102 PolarHBondContact O-N 3.4Å; I100-S103 WeakPolarHBondContact CA-OG 3.31Å; I100-S103 PolarHBondContact O-N 2.89Å; I100-S103 VanDerWaalsContact O-N 3.17Å; I100-S103 PolarHBondContact O-OG 2.98Å; I100-S103 VanDerWaalsContact O-OG 3.04Å; I100-E104 WeakPolarHBondContact O-CB 3.32Å; I100-E104 PolarHBondContact O-N 3.43Å
101	I	83.7	Confident	82.5	Confident	60 Å²	60	71 Å²	71	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-33.8	178.3	-64	165.1	0	0	0	111.8	I97 L109	I97-I101 HydrophobicContact CG2-CD1 3.58Å; I97-I101 HydrophobicContact CG2-CG1 4.23Å; I97-I101 WeakPolarHBondContact O-CG1 3.36Å; I97-I101 PolarHBondContact O-N 3.47Å; I101-L109 HydrophobicContact CD1-CB 3.65Å; I101-L109 HydrophobicContact CD1-CD2 4.43Å
102	K	82.4	Confident	82.3	Confident	164 Å²	164	67.5 Å²	67.5	71%	0.713	35%	0.346	S	S	*	.	H	α-helix	trans	-73.3	-36.9	177	-74.4	172	-172	167.8	0	112.7	G98 D99 I100	G98-K102 WeakPolarHBondContact O-CD 3.09Å; G98-K102 VanDerWaalsContact O-CG 3.26Å; G98-K102 WeakPolarHBondContact O-CG 3.33Å; G98-K102 PolarHBondContact O-N 3.05Å; D99-K102 PolarHBondContact O-N 3.49Å; I100-K102 VanDerWaalsContact C-N 3.25Å; I100-K102 PolarHBondContact O-N 3.4Å
103	S	80.9	Confident	82.5	Confident	89 Å²	89	65.4 Å²	65.4	62%	0.622	34%	0.336	S	S	*	.	H	α-helix	trans	-79.8	-34.5	-179.8	49.1	0	0	0	0	112.2	D99 I100	D99-S103 WeakPolarHBondContact O-CB 3.07Å; D99-S103 PolarHBondContact O-N 3.16Å; D99-S103 PolarHBondContact O-OG 3.37Å; I100-S103 WeakPolarHBondContact CA-OG 3.31Å; I100-S103 PolarHBondContact O-N 2.89Å; I100-S103 VanDerWaalsContact O-N 3.17Å; I100-S103 PolarHBondContact O-OG 2.98Å; I100-S103 VanDerWaalsContact O-OG 3.04Å
104	E	79.5	Confident	82.6	Confident	46 Å²	46	65.5 Å²	65.5	22%	0.215	34%	0.337	C	S	.	.			trans	-121.6	96.7	-174.1	-68.5	-179.8	171.3	0	0	111.3	R67 I100 H106 V107	R67-E104 VanDerWaalsContact CD-OE1 3.3Å; R67-E104 WeakPolarHBondContact CD-OE1 3.48Å; I100-E104 WeakPolarHBondContact O-CB 3.32Å; I100-E104 PolarHBondContact O-N 3.43Å; E104-H106 PolarHBondContact O-N 3.36Å; E104-H106 VanDerWaalsContact O-N 3.12Å; E104-H106 IonicContact OE2-NE2 3.92Å; E104-V107 HydrophobicContact CB-CG2 4.11Å; E104-V107 PolarHBondContact O-N 2.96Å; E104-V107 VanDerWaalsContact O-N 3.15Å
105	K	77.8	Confident	82.9	Confident	190 Å²	190	60.6 Å²	60.6	83%	0.826	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.8	179.7	-64.7	-175.1	179.9	180	0	114.6
106	H	81.6	Confident	83.1	Confident	74 Å²	74	56.5 Å²	56.5	34%	0.343	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.5	178.7	58.8	-94.6	0	0	0	112.6	E104 D116 E117	E104-H106 PolarHBondContact O-N 3.36Å; E104-H106 VanDerWaalsContact O-N 3.12Å; E104-H106 IonicContact OE2-NE2 3.92Å; H106-D116 IonicContact CD2-OD1 3.35Å; H106-D116 PolarHBondContact CD2-OD1 2.9Å; H106-D116 IonicContact CG-OD1 2.69Å; H106-D116 CarbonylContact O-C 3.59Å; H106-E117 HydrophobicContact CB-CB 3.93Å; H106-E117 PolarHBondContact O-N 2.76Å
107	V	84.9	Confident	83.3	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131	177.4	-174.7	0	0	0	0	110.2	L70 E104 L114 I115	L70-V107 HydrophobicContact CD2-CG1 4.04Å; L70-V107 HydrophobicContact CD2-CG2 3.9Å; E104-V107 HydrophobicContact CB-CG2 4.11Å; E104-V107 PolarHBondContact O-N 2.96Å; E104-V107 VanDerWaalsContact O-N 3.15Å; V107-L114 HydrophobicContact CG1-CB 4.38Å; V107-L114 HydrophobicContact CG1-CD2 4.17Å; V107-I115 CarbonylContact C-O 3.48Å; V107-I115 WeakPolarHBondContact CA-O 3.49Å
108	Q	84.7	Confident	83.5	Confident	78 Å²	78	61.5 Å²	61.5	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.8	-179.8	-61.7	-178.6	4.8	0	0	110.8	I115	Q108-I115 PolarHBondContact N-O 3.21Å; Q108-I115 PolarHBondContact O-N 3.46Å
109	L	84.8	Confident	83.9	Confident	80 Å²	80	62.3 Å²	62.3	42%	0.419	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.2	176.3	178.3	69.3	0	0	0	110.3	I79 I97 I101 Q113 L114	I79-L109 HydrophobicContact CD1-CD1 3.69Å; I79-L109 HydrophobicContact CG1-CD1 4.35Å; I97-L109 HydrophobicContact CG2-CD1 4.47Å; I97-L109 HydrophobicContact CG2-CD2 4.1Å; I101-L109 HydrophobicContact CD1-CB 3.65Å; I101-L109 HydrophobicContact CD1-CD2 4.43Å; L109-Q113 WeakPolarHBondContact CA-O 3.4Å; L109-L114 HydrophobicContact CB-CD2 4.35Å; L109-L114 HydrophobicContact CD1-CD2 3.96Å
110	V	83.7	Confident	84.2	Confident	16 Å²	16	59.4 Å²	59.4	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	118.6	-179.1	-175.6	0	0	0	0	109.5	G112 Q113 I115 P149 F152	V110-G112 PolarHBondContact O-N 3.04Å; V110-G112 VanDerWaalsContact O-N 3.1Å; V110-Q113 PolarHBondContact N-O 3.22Å; V110-Q113 WeakPolarHBondContact O-CB 3.12Å; V110-Q113 PolarHBondContact O-N 3.18Å; V110-I115 HydrophobicContact CB-CD1 4.06Å; V110-I115 HydrophobicContact CG2-CD1 4.11Å; V110-P149 HydrophobicContact CG1-CG 3.69Å; V110-F152 HydrophobicContact CG1-CD1 4.44Å; V110-F152 HydrophobicContact CG1-CG 4.32Å; V110-F152 HydrophobicContact CG2-CD1 4.27Å; V110-F152 HydrophobicContact CG2-CD2 3.77Å; V110-F152 HydrophobicContact CG2-CE1 4.04Å; V110-F152 HydrophobicContact CG2-CE2 3.5Å; V110-F152 HydrophobicContact CG2-CG 4.14Å; V110-F152 HydrophobicContact CG2-CZ 3.66Å
111	L	80.2	Confident	84.6	Confident	150 Å²	150	61.3 Å²	61.3	79%	0.785	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	38.6	178.9	-61.9	-177.4	0	0	0	114.7	P149	L111-P149 HydrophobicContact CD1-CG 3.61Å; L111-P149 HydrophobicContact CG-CG 3.94Å
112	G	80.8	Confident	84.8	Confident	25 Å²	25	64.3 Å²	64.3	26%	0.258	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	20.4	-177.8	0	0	0	0	0	114.4	N78 I79 V110	N78-G112 PolarHBondContact OD1-O 2.8Å; I79-G112 VanDerWaalsContact CG1-O 3.23Å; I79-G112 WeakPolarHBondContact CG1-O 3.43Å; I79-G112 PolarHBondContact N-O 2.79Å; V110-G112 PolarHBondContact O-N 3.04Å; V110-G112 VanDerWaalsContact O-N 3.1Å
113	Q	85.5	Confident	85.2	Confident	28 Å²	28	56.8 Å²	56.8	13%	0.131	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132	173.8	-57.3	-179.8	-7.5	0	0	110.3	R76 V77 N78 L109 V110	R76-Q113 VanDerWaalsContact CZ-OE1 3.26Å; V77-Q113 CarbonylContact O-C 3.58Å; V77-Q113 WeakPolarHBondContact O-CA 3.15Å; N78-Q113 HydrophobicContact CB-CG 4.45Å; L109-Q113 WeakPolarHBondContact CA-O 3.4Å; V110-Q113 PolarHBondContact N-O 3.22Å; V110-Q113 WeakPolarHBondContact O-CB 3.12Å; V110-Q113 PolarHBondContact O-N 3.18Å
114	L	86.6	Confident	85.6	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.4	168.8	-66.4	178.9	0	0	0	109.1	M66 L70 R76 V77 L82 I97 V107 L109	M66-L114 HydrophobicContact CE-CD1 3.98Å; L70-L114 HydrophobicContact CD1-CB 4.21Å; R76-L114 VanDerWaalsContact CA-O 3.3Å; R76-L114 WeakPolarHBondContact CA-O 3.42Å; V77-L114 PolarHBondContact N-O 3.42Å; V77-L114 PolarHBondContact O-N 3.42Å; L82-L114 HydrophobicContact CD1-CD1 3.76Å; I97-L114 HydrophobicContact CD1-CD1 4.42Å; I97-L114 HydrophobicContact CD1-CD2 4.46Å; I97-L114 HydrophobicContact CG1-CD1 4.18Å; I97-L114 HydrophobicContact CG1-CD2 4.3Å; I97-L114 HydrophobicContact CG2-CD2 3.76Å; V107-L114 HydrophobicContact CG1-CB 4.38Å; V107-L114 HydrophobicContact CG1-CD2 4.17Å; L109-L114 HydrophobicContact CB-CD2 4.35Å; L109-L114 HydrophobicContact CD1-CD2 3.96Å
115	I	89	Confident	86.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.5	-178.3	-55.4	176.2	0	0	0	108.8	G75 R76 V107 Q108 V110 Y119 L120 L148 F152	G75-I115 CarbonylContact O-C 3.59Å; G75-I115 WeakPolarHBondContact O-CA 3.33Å; R76-I115 HydrophobicContact CG-CG1 4.34Å; V107-I115 CarbonylContact C-O 3.48Å; V107-I115 WeakPolarHBondContact CA-O 3.49Å; Q108-I115 PolarHBondContact N-O 3.21Å; Q108-I115 PolarHBondContact O-N 3.46Å; V110-I115 HydrophobicContact CB-CD1 4.06Å; V110-I115 HydrophobicContact CG2-CD1 4.11Å; I115-Y119 HydrophobicContact CG2-CD1 3.63Å; I115-Y119 HydrophobicContact CG2-CE1 4.36Å; I115-Y119 HydrophobicContact CG2-CG 4.41Å; I115-L120 HydrophobicContact CG2-CD2 3.96Å; I115-L120 HydrophobicContact CG2-CG 3.98Å; I115-L148 HydrophobicContact CD1-CD1 4.46Å; I115-L148 HydrophobicContact CD1-CD2 3.45Å; I115-L148 VanDerWaalsContact CD1-CD2 3.45Å; I115-F152 HydrophobicContact CD1-CE1 4.09Å; I115-F152 HydrophobicContact CD1-CZ 4.43Å
116	D	89.6	Confident	86.7	Confident	16 Å²	16	51.1 Å²	51.1	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	147.6	173	-179.1	21.1	0	0	0	111	L70 G75 H106 N118 Y119 L120	L70-D116 HydrophobicContact CD2-CB 4.48Å; G75-D116 PolarHBondContact O-N 2.7Å; H106-D116 IonicContact CD2-OD1 3.35Å; H106-D116 PolarHBondContact CD2-OD1 2.9Å; H106-D116 IonicContact CG-OD1 2.69Å; H106-D116 CarbonylContact O-C 3.59Å; D116-N118 PolarHBondContact O-N 2.87Å; D116-N118 WeakPolarHBondContact OD2-CB 3.46Å; D116-N118 PolarHBondContact OD2-ND2 3.38Å; D116-Y119 WeakPolarHBondContact O-CB 3.5Å; D116-Y119 PolarHBondContact O-N 2.68Å; D116-L120 PolarHBondContact O-N 2.68Å
117	E	86.8	Confident	87.1	Confident	81 Å²	81	47.6 Å²	47.6	38%	0.379	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-33.9	176.1	-170	168.9	-169.9	0	0	111.9	H106 Y119 L120 D121 R160	H106-E117 HydrophobicContact CB-CB 3.93Å; H106-E117 PolarHBondContact O-N 2.76Å; E117-Y119 VanDerWaalsContact C-N 3.27Å; E117-Y119 PolarHBondContact O-N 3.14Å; E117-L120 CarbonylContact O-C 3.54Å; E117-L120 WeakPolarHBondContact O-CA 3.28Å; E117-L120 WeakPolarHBondContact O-CB 3.29Å; E117-L120 PolarHBondContact O-N 3.49Å; E117-D121 PolarHBondContact O-N 3.11Å; E117-R160 IonicContact OE1-CZ 3.91Å; E117-R160 IonicContact OE1-NH1 3.71Å; E117-R160 IonicContact OE1-NH2 3.13Å; E117-R160 PolarHBondContact OE1-NH2 3.22Å
118	N	86.8	Confident	87.4	Confident	85 Å²	85	48.7 Å²	48.7	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-31.3	175.3	-60.3	-57.8	0	0	0	112.6	D116 D121 R122	D116-N118 PolarHBondContact O-N 2.87Å; D116-N118 WeakPolarHBondContact OD2-CB 3.46Å; D116-N118 PolarHBondContact OD2-ND2 3.38Å; N118-D121 PolarHBondContact O-N 3.34Å; N118-R122 WeakPolarHBondContact O-CG 3.4Å; N118-R122 PolarHBondContact O-N 3.02Å
119	Y	88.7	Confident	87.6	Confident	45 Å²	45	50.2 Å²	50.2	18%	0.176	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-41	172.5	172.5	-94.7	0	0	0	110.5	R76 I115 D116 E117 D121 R122 L123 L148	R76-Y119 HydrophobicContact CB-CD1 4.39Å; R76-Y119 HydrophobicContact CB-CD2 4.1Å; R76-Y119 HydrophobicContact CB-CE1 4.37Å; R76-Y119 HydrophobicContact CB-CE2 4.09Å; R76-Y119 HydrophobicContact CB-CG 4.25Å; R76-Y119 PolarHBondContact NH1-OH 2.87Å; R76-Y119 VanDerWaalsContact NH1-OH 3.15Å; I115-Y119 HydrophobicContact CG2-CD1 3.63Å; I115-Y119 HydrophobicContact CG2-CE1 4.36Å; I115-Y119 HydrophobicContact CG2-CG 4.41Å; D116-Y119 WeakPolarHBondContact O-CB 3.5Å; D116-Y119 PolarHBondContact O-N 2.68Å; E117-Y119 VanDerWaalsContact C-N 3.27Å; E117-Y119 PolarHBondContact O-N 3.14Å; Y119-D121 VanDerWaalsContact C-N 3.31Å; Y119-D121 PolarHBondContact O-N 3.01Å; Y119-R122 PolarHBondContact O-N 2.93Å; Y119-L123 HydrophobicContact CE1-CD2 4.49Å; Y119-L123 WeakPolarHBondContact O-CB 2.99Å; Y119-L123 PolarHBondContact O-N 3.08Å; Y119-L148 HydrophobicContact CE1-CD1 4.45Å
120	L	88.3	Confident	87.8	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-32	176.3	-62.4	177	0	0	0	112.8	I115 D116 E117 L123 A124 F152 A156	I115-L120 HydrophobicContact CG2-CD2 3.96Å; I115-L120 HydrophobicContact CG2-CG 3.98Å; D116-L120 PolarHBondContact O-N 2.68Å; E117-L120 CarbonylContact O-C 3.54Å; E117-L120 WeakPolarHBondContact O-CA 3.28Å; E117-L120 WeakPolarHBondContact O-CB 3.29Å; E117-L120 PolarHBondContact O-N 3.49Å; L120-L123 HydrophobicContact CD2-CD2 4.08Å; L120-A124 VanDerWaalsContact O-CB 3.28Å; L120-A124 WeakPolarHBondContact O-CB 3.5Å; L120-A124 PolarHBondContact O-N 2.93Å; L120-F152 HydrophobicContact CD1-CZ 4.1Å; L120-F152 HydrophobicContact CD2-CE1 3.98Å; L120-F152 HydrophobicContact CD2-CZ 4.28Å; L120-A156 HydrophobicContact CD1-CB 4.3Å; L120-A156 HydrophobicContact CD2-CB 4.44Å
121	D	89.7	Confident	88	Confident	45 Å²	45	49.4 Å²	49.4	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-48.9	173.6	-75.2	-15.5	0	0	0	111.8	E117 N118 Y119 L123 A124 E125 R160 I164	E117-D121 PolarHBondContact O-N 3.11Å; N118-D121 PolarHBondContact O-N 3.34Å; Y119-D121 VanDerWaalsContact C-N 3.31Å; Y119-D121 PolarHBondContact O-N 3.01Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 3.2Å; D121-A124 WeakPolarHBondContact O-CB 3.49Å; D121-A124 PolarHBondContact O-N 3.32Å; D121-A124 VanDerWaalsContact O-N 3.1Å; D121-E125 PolarHBondContact O-N 3.3Å; D121-R160 IonicContact OD1-CZ 3.42Å; D121-R160 IonicContact OD1-NE 2.97Å; D121-R160 PolarHBondContact OD1-NE 3.02Å; D121-R160 IonicContact OD1-NH2 3.95Å; D121-R160 PolarHBondContact OD1-NH2 3.35Å; D121-R160 IonicContact OD2-NH2 2.93Å; D121-I164 HydrophobicContact CB-CD1 4.18Å; D121-I164 WeakPolarHBondContact OD1-CD1 3.49Å
122	R	88.6	Confident	88.3	Confident	124 Å²	124	46.8 Å²	46.8	47%	0.468	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-40.6	175	-65.9	-175.9	-146.4	135.3	7.1	111.8	G74 N118 Y119 A124 E125 E126	G74-R122 PolarHBondContact O-NH1 3.41Å; N118-R122 WeakPolarHBondContact O-CG 3.4Å; N118-R122 PolarHBondContact O-N 3.02Å; Y119-R122 PolarHBondContact O-N 2.93Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.25Å; R122-E125 WeakPolarHBondContact O-CB 3.5Å; R122-E125 PolarHBondContact O-N 3.5Å; R122-E126 PolarHBondContact O-N 2.93Å
123	L	90.1	Very high	88.6	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-45.3	172.6	177	68.5	0	0	0	110.6	Y119 L120 D121 E125 E126 V127 Y146 L148 L153	Y119-L123 HydrophobicContact CE1-CD2 4.49Å; Y119-L123 WeakPolarHBondContact O-CB 2.99Å; Y119-L123 PolarHBondContact O-N 3.08Å; L120-L123 HydrophobicContact CD2-CD2 4.08Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 3.2Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 3.33Å; L123-E126 PolarHBondContact O-N 3.3Å; L123-V127 HydrophobicContact CD1-CG2 4.48Å; L123-V127 WeakPolarHBondContact O-CB 3.08Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.4Å; L123-V127 PolarHBondContact O-N 3.44Å; L123-Y146 HydrophobicContact CD1-CD1 3.21Å; L123-Y146 HydrophobicContact CD1-CD2 3.68Å; L123-Y146 HydrophobicContact CD1-CE1 3.13Å; L123-Y146 HydrophobicContact CD1-CE2 3.63Å; L123-Y146 HydrophobicContact CD1-CG 3.49Å; L123-Y146 VanDerWaalsContact CD1-CG 3.49Å; L123-L148 HydrophobicContact CD2-CD1 4.28Å; L123-L153 HydrophobicContact CD2-CD2 3.86Å
124	A	89.8	Confident	88.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-35.7	178.1	0	0	0	0	0	112.6	L120 D121 R122 V127 N128 L157 R160 I164 I165	L120-A124 VanDerWaalsContact O-CB 3.28Å; L120-A124 WeakPolarHBondContact O-CB 3.5Å; L120-A124 PolarHBondContact O-N 2.93Å; D121-A124 WeakPolarHBondContact O-CB 3.49Å; D121-A124 PolarHBondContact O-N 3.32Å; D121-A124 VanDerWaalsContact O-N 3.1Å; R122-A124 VanDerWaalsContact C-N 3.29Å; R122-A124 PolarHBondContact O-N 3.25Å; A124-V127 PolarHBondContact O-N 3.48Å; A124-N128 WeakPolarHBondContact O-CB 3.49Å; A124-N128 PolarHBondContact O-N 3.01Å; A124-L157 HydrophobicContact CB-CD2 4.48Å; A124-R160 HydrophobicContact CB-CB 4.35Å; A124-I164 HydrophobicContact CB-CB 4.44Å; A124-I164 HydrophobicContact CB-CG2 4Å; A124-I165 HydrophobicContact CB-CD1 3.9Å; A124-I165 HydrophobicContact CB-CG1 4.03Å; A124-I165 WeakPolarHBondContact O-CG1 3.3Å
125	E	90.8	Very high	88.2	Confident	109 Å²	109	55.8 Å²	55.8	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-48.6	171.8	-70.1	175.9	171.7	0	0	111.3	D121 R122 L123 V127 N128 D129 I164	D121-E125 PolarHBondContact O-N 3.3Å; R122-E125 WeakPolarHBondContact O-CB 3.5Å; R122-E125 PolarHBondContact O-N 3.5Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 3.33Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.45Å; E125-N128 WeakPolarHBondContact O-CA 3.34Å; E125-N128 WeakPolarHBondContact O-CB 3.28Å; E125-N128 PolarHBondContact O-N 3.06Å; E125-N128 VanDerWaalsContact O-N 3.08Å; E125-D129 PolarHBondContact O-N 2.89Å; E125-I164 HydrophobicContact CG-CG2 3.68Å
126	E	89.9	Confident	88.1	Confident	96 Å²	96	58.5 Å²	58.5	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-41	175.7	-70.4	-179.3	-167.6	0	0	112.4	R122 L123 N128 D129 K130 Y146	R122-E126 PolarHBondContact O-N 2.93Å; L123-E126 PolarHBondContact O-N 3.3Å; E126-N128 VanDerWaalsContact C-N 3.31Å; E126-D129 PolarHBondContact O-N 3.46Å; E126-K130 WeakPolarHBondContact O-CB 3.34Å; E126-K130 WeakPolarHBondContact O-CG 3.26Å; E126-K130 PolarHBondContact O-N 3Å; E126-Y146 WeakPolarHBondContact OE2-CE1 3.42Å; E126-Y146 PolarHBondContact OE2-OH 2.95Å
127	V	89.9	Confident	88	Confident	1 Å²	1	58 Å²	58	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-65	-38.5	175.2	172.4	0	0	0	0	110.5	L123 A124 E125 L131 L142 Y146 L157	L123-V127 HydrophobicContact CD1-CG2 4.48Å; L123-V127 WeakPolarHBondContact O-CB 3.08Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.4Å; L123-V127 PolarHBondContact O-N 3.44Å; A124-V127 PolarHBondContact O-N 3.48Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.45Å; V127-L131 WeakPolarHBondContact O-CB 3.36Å; V127-L131 PolarHBondContact O-N 3.49Å; V127-L142 HydrophobicContact CG1-CD1 3.93Å; V127-L142 HydrophobicContact CG1-CD2 4.38Å; V127-L142 HydrophobicContact CG2-CD1 4.06Å; V127-L142 HydrophobicContact CG2-CD2 3.61Å; V127-L142 HydrophobicContact CG2-CG 4.49Å; V127-Y146 HydrophobicContact CG2-CE2 4.19Å; V127-L157 HydrophobicContact CB-CD2 4.36Å; V127-L157 HydrophobicContact CG1-CD2 4.29Å; V127-L157 HydrophobicContact CG2-CD2 4.32Å
128	N	90.4	Very high	88	Confident	24 Å²	24	56.4 Å²	56.4	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-44.3	175.9	-178.4	68.1	0	0	0	111.5	A124 E125 E126 L131 Q132 I165 S166	A124-N128 WeakPolarHBondContact O-CB 3.49Å; A124-N128 PolarHBondContact O-N 3.01Å; E125-N128 WeakPolarHBondContact O-CA 3.34Å; E125-N128 WeakPolarHBondContact O-CB 3.28Å; E125-N128 PolarHBondContact O-N 3.06Å; E125-N128 VanDerWaalsContact O-N 3.08Å; E126-N128 VanDerWaalsContact C-N 3.31Å; N128-L131 CarbonylContact O-C 3.59Å; N128-L131 WeakPolarHBondContact O-CB 3.45Å; N128-L131 PolarHBondContact O-N 2.64Å; N128-L131 VanDerWaalsContact O-N 3.14Å; N128-Q132 WeakPolarHBondContact O-CG 3.39Å; N128-Q132 PolarHBondContact O-N 2.99Å; N128-Q132 PolarHBondContact OD1-NE2 3.25Å; N128-I165 HydrophobicContact CB-CG1 4.26Å; N128-S166 PolarHBondContact OD1-N 2.84Å
129	D	89.8	Confident	88	Confident	110 Å²	110	52.7 Å²	52.7	59%	0.588	26%	0.257	S	S	*	.	H	α-helix	trans	-61.7	-46.6	177.7	-72.1	-13.9	0	0	0	111.1	E125 E126 L131 Q132 E133	E125-D129 PolarHBondContact O-N 2.89Å; E126-D129 PolarHBondContact O-N 3.46Å; D129-L131 VanDerWaalsContact C-N 3.29Å; D129-L131 PolarHBondContact O-N 2.92Å; D129-Q132 PolarHBondContact O-N 3.43Å; D129-E133 WeakPolarHBondContact O-CB 3.46Å; D129-E133 PolarHBondContact O-N 3.48Å
130	K	88.2	Confident	87.9	Confident	80 Å²	80	54.6 Å²	54.6	35%	0.348	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-41.7	172.6	-74.8	175.3	-179.7	168.8	0	111.8	E126 E133 S134 V137 Y146	E126-K130 WeakPolarHBondContact O-CB 3.34Å; E126-K130 WeakPolarHBondContact O-CG 3.26Å; E126-K130 PolarHBondContact O-N 3Å; K130-E133 PolarHBondContact O-N 2.89Å; K130-S134 WeakPolarHBondContact O-CB 3.3Å; K130-S134 PolarHBondContact O-N 3.27Å; K130-S134 PolarHBondContact O-OG 3.48Å; K130-V137 HydrophobicContact CB-CG2 4.38Å; K130-Y146 PolarHBondContact NZ-OH 2.99Å
131	L	88.3	Confident	87.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-38.5	178.4	177.1	68.1	0	0	0	112.7	V127 N128 D129 G135 V137 I165 I177 T179	V127-L131 WeakPolarHBondContact O-CB 3.36Å; V127-L131 PolarHBondContact O-N 3.49Å; N128-L131 CarbonylContact O-C 3.59Å; N128-L131 WeakPolarHBondContact O-CB 3.45Å; N128-L131 PolarHBondContact O-N 2.64Å; N128-L131 VanDerWaalsContact O-N 3.14Å; D129-L131 VanDerWaalsContact C-N 3.29Å; D129-L131 PolarHBondContact O-N 2.92Å; L131-G135 CarbonylContact O-C 3.54Å; L131-G135 WeakPolarHBondContact O-CA 3.28Å; L131-G135 PolarHBondContact O-N 3.08Å; L131-V137 HydrophobicContact CB-CG2 3.93Å; L131-V137 HydrophobicContact CD1-CB 4.37Å; L131-V137 HydrophobicContact CD1-CG2 4.09Å; L131-I165 HydrophobicContact CD2-CG2 3.71Å; L131-I177 HydrophobicContact CD1-CB 4.4Å; L131-I177 HydrophobicContact CD1-CG2 4.13Å; L131-I177 VanDerWaalsContact CD1-O 3.25Å; L131-I177 WeakPolarHBondContact CD1-O 3.48Å; L131-I177 HydrophobicContact CD2-CG2 3.61Å; L131-T179 HydrophobicContact CD1-CG2 4.09Å; L131-T179 HydrophobicContact CD2-CG2 4.17Å; L131-T179 HydrophobicContact CG-CG2 3.67Å
132	Q	87	Confident	87.8	Confident	94 Å²	94	57.4 Å²	57.4	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-71.4	-34.6	175.7	-63.5	-47.7	-42.7	0	0	111.7	N128 D129 S166	N128-Q132 WeakPolarHBondContact O-CG 3.39Å; N128-Q132 PolarHBondContact O-N 2.99Å; N128-Q132 PolarHBondContact OD1-NE2 3.25Å; D129-Q132 PolarHBondContact O-N 3.43Å; Q132-S166 PolarHBondContact NE2-O 3.5Å
133	E	86.1	Confident	87.8	Confident	175 Å²	175	53 Å²	53	82%	0.818	28%	0.276	S	S	*	.	H	α-helix	trans	-70.3	-49.6	177.2	-172.6	179.1	-172.6	0	0	112.2	D129 K130	D129-E133 WeakPolarHBondContact O-CB 3.46Å; D129-E133 PolarHBondContact O-N 3.48Å; K130-E133 PolarHBondContact O-N 2.89Å
134	S	83.1	Confident	87.7	Confident	63 Å²	63	61.4 Å²	61.4	44%	0.441	31%	0.312	S	S	.	.	H	α-helix	trans	-87.3	-21.8	-176	70.9	0	0	0	0	113.8	K130 Q136	K130-S134 WeakPolarHBondContact O-CB 3.3Å; K130-S134 PolarHBondContact O-N 3.27Å; K130-S134 PolarHBondContact O-OG 3.48Å; S134-Q136 PolarHBondContact O-N 3.2Å; S134-Q136 PolarHBondContact OG-N 2.91Å; S134-Q136 PolarHBondContact OG-O 3.43Å
135	G	81.9	Confident	87.6	Confident	8 Å²	8	65.2 Å²	65.2	8%	0.082	34%	0.336	C	S	.	.	S	Bend	trans	78.6	-17.6	-171.4	0	0	0	0	0	114.9	L131 T179 F182	L131-G135 CarbonylContact O-C 3.54Å; L131-G135 WeakPolarHBondContact O-CA 3.28Å; L131-G135 PolarHBondContact O-N 3.08Å; G135-T179 PolarHBondContact O-N 3.46Å; G135-T179 VanDerWaalsContact O-N 3.09Å; G135-F182 WeakPolarHBondContact O-CB 3.44Å; G135-F182 WeakPolarHBondContact O-CG 3.32Å
136	Q	85.6	Confident	87.3	Confident	58 Å²	58	60.9 Å²	60.9	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.2	179.7	70.2	179.8	6	0	0	112.3	S134 I177 F178 F182 Q213	S134-Q136 PolarHBondContact O-N 3.2Å; S134-Q136 PolarHBondContact OG-N 2.91Å; S134-Q136 PolarHBondContact OG-O 3.43Å; Q136-I177 WeakPolarHBondContact CA-O 3.14Å; Q136-F178 HydrophobicContact CB-CD1 3.64Å; Q136-F178 HydrophobicContact CB-CE1 4.08Å; Q136-F182 HydrophobicContact CB-CE1 4.22Å; Q136-F182 HydrophobicContact CB-CZ 4.23Å; Q136-F182 HydrophobicContact CG-CE2 4.45Å; Q136-F182 HydrophobicContact CG-CZ 4.17Å; Q136-F182 VanDerWaalsContact OE1-CZ 3.23Å; Q136-Q213 VanDerWaalsContact CD-NE2 3.33Å
137	V	87.4	Confident	87.1	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.5	176.4	177.9	0	0	0	0	109.6	K130 L131 L142 I177	K130-V137 HydrophobicContact CB-CG2 4.38Å; L131-V137 HydrophobicContact CB-CG2 3.93Å; L131-V137 HydrophobicContact CD1-CB 4.37Å; L131-V137 HydrophobicContact CD1-CG2 4.09Å; V137-L142 HydrophobicContact CG1-CD1 3.68Å; V137-L142 HydrophobicContact CG1-CD2 3.69Å; V137-L142 HydrophobicContact CG1-CG 3.56Å; V137-I177 PolarHBondContact N-O 3.08Å; V137-I177 PolarHBondContact O-N 3.19Å
138	T	87.8	Confident	86.9	Confident	46 Å²	46	62.2 Å²	62.2	28%	0.282	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.5	177	68.8	0	0	0	0	111.2	S140 E141 L142 G175 V176	T138-S140 PolarHBondContact O-N 3.42Å; T138-E141 WeakPolarHBondContact O-CB 3.16Å; T138-E141 PolarHBondContact O-N 3.02Å; T138-E141 VanDerWaalsContact O-N 3.14Å; T138-E141 VanDerWaalsContact OG1-CB 3.25Å; T138-E141 WeakPolarHBondContact OG1-CB 3.34Å; T138-E141 PolarHBondContact OG1-N 3.19Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.2Å; T138-L142 VanDerWaalsContact O-N 3.13Å; T138-G175 CarbonylContact C-O 3.54Å; T138-G175 WeakPolarHBondContact CA-O 3.36Å; T138-V176 HydrophobicContact CG2-CG1 4.25Å; T138-V176 HydrophobicContact CG2-CG2 4.2Å
139	I	87.4	Confident	86.8	Confident	7 Å²	7	63 Å²	63	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-33.3	178.1	-60.8	-177	0	0	0	110.6	E141 L142 C143 L153 T154 R174 G175	I139-E141 VanDerWaalsContact C-N 3.31Å; I139-E141 PolarHBondContact O-N 3.08Å; I139-L142 PolarHBondContact O-N 3.48Å; I139-C143 PolarHBondContact O-N 3.42Å; I139-C143 PolarHBondContact O-SG 3.27Å; I139-L153 HydrophobicContact CG2-CB 4.33Å; I139-T154 HydrophobicContact CD1-CG2 3.84Å; I139-T154 WeakPolarHBondContact CD1-OG1 3.41Å; I139-R174 WeakPolarHBondContact CD1-O 3.33Å; I139-G175 WeakPolarHBondContact CG1-O 3.1Å; I139-G175 PolarHBondContact N-O 3.49Å
140	S	86.5	Confident	86.5	Confident	85 Å²	85	58.9 Å²	58.9	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-63.6	-34.5	175.9	-54.6	0	0	0	0	113.4	T138 K144	T138-S140 PolarHBondContact O-N 3.42Å; S140-K144 WeakPolarHBondContact O-CG 3.1Å; S140-K144 PolarHBondContact O-N 3.34Å
141	E	87.3	Confident	86.4	Confident	110 Å²	110	62 Å²	62	51%	0.514	34%	0.335	S	S	.	.	H	α-helix	trans	-69.9	-45.2	173.2	-178	175.8	-170.7	0	0	110.6	T138 I139 C143 K144 T145	T138-E141 WeakPolarHBondContact O-CB 3.16Å; T138-E141 PolarHBondContact O-N 3.02Å; T138-E141 VanDerWaalsContact O-N 3.14Å; T138-E141 VanDerWaalsContact OG1-CB 3.25Å; T138-E141 WeakPolarHBondContact OG1-CB 3.34Å; T138-E141 PolarHBondContact OG1-N 3.19Å; I139-E141 VanDerWaalsContact C-N 3.31Å; I139-E141 PolarHBondContact O-N 3.08Å; E141-C143 VanDerWaalsContact C-N 3.3Å; E141-C143 PolarHBondContact O-N 3.34Å; E141-K144 WeakPolarHBondContact O-CB 3.42Å; E141-K144 PolarHBondContact O-N 2.9Å; E141-T145 PolarHBondContact O-N 3.35Å; E141-T145 PolarHBondContact O-OG1 2.67Å
142	L	87.9	Confident	86.3	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-59.6	-39.1	175.5	-63.5	177.1	0	0	0	112.5	V127 V137 T138 I139 K144 T145 Y146 L153 L157	V127-L142 HydrophobicContact CG1-CD1 3.93Å; V127-L142 HydrophobicContact CG1-CD2 4.38Å; V127-L142 HydrophobicContact CG2-CD1 4.06Å; V127-L142 HydrophobicContact CG2-CD2 3.61Å; V127-L142 HydrophobicContact CG2-CG 4.49Å; V137-L142 HydrophobicContact CG1-CD1 3.68Å; V137-L142 HydrophobicContact CG1-CD2 3.69Å; V137-L142 HydrophobicContact CG1-CG 3.56Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.2Å; T138-L142 VanDerWaalsContact O-N 3.13Å; I139-L142 PolarHBondContact O-N 3.48Å; L142-K144 VanDerWaalsContact C-N 3.28Å; L142-K144 PolarHBondContact O-N 2.99Å; L142-T145 PolarHBondContact O-N 3.47Å; L142-Y146 HydrophobicContact CB-CD2 4.3Å; L142-Y146 HydrophobicContact CD2-CD2 4.06Å; L142-Y146 HydrophobicContact CD2-CE2 3.68Å; L142-Y146 WeakPolarHBondContact O-CB 3.46Å; L142-Y146 WeakPolarHBondContact O-CD2 3.34Å; L142-Y146 PolarHBondContact O-N 3.36Å; L142-L153 HydrophobicContact CB-CD1 4.03Å; L142-L157 HydrophobicContact CD1-CD1 3.65Å
143	C	88.5	Confident	86.3	Confident	30 Å²	30	58.8 Å²	58.8	20%	0.203	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-40.9	173.7	-73.2	0	0	0	0	112.5	I139 E141 D147 L148 G150	I139-C143 PolarHBondContact O-N 3.42Å; I139-C143 PolarHBondContact O-SG 3.27Å; E141-C143 VanDerWaalsContact C-N 3.3Å; E141-C143 PolarHBondContact O-N 3.34Å; C143-D147 VanDerWaalsContact O-CA 3.25Å; C143-D147 WeakPolarHBondContact O-CA 3.33Å; C143-D147 PolarHBondContact O-N 2.99Å; C143-L148 PolarHBondContact SG-O 3.09Å; C143-L148 VanDerWaalsContact SG-O 3.33Å; C143-G150 WeakPolarHBondContact SG-CA 3.49Å; C143-G150 PolarHBondContact SG-N 3.39Å
144	K	87.8	Confident	86.3	Confident	183 Å²	183	52 Å²	52	80%	0.796	29%	0.291	S	S	*	.	H	α-helix	trans	-73.2	-40.2	179.9	-69.2	176.3	-177.9	179.2	0	111.8	S140 E141 L142	S140-K144 WeakPolarHBondContact O-CG 3.1Å; S140-K144 PolarHBondContact O-N 3.34Å; E141-K144 WeakPolarHBondContact O-CB 3.42Å; E141-K144 PolarHBondContact O-N 2.9Å; L142-K144 VanDerWaalsContact C-N 3.28Å; L142-K144 PolarHBondContact O-N 2.99Å
145	T	87.8	Confident	86.4	Confident	81 Å²	81	54.9 Å²	54.9	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-70.9	-40.9	-178.6	-53.9	0	0	0	0	111.9	E141 L142	E141-T145 PolarHBondContact O-N 3.35Å; E141-T145 PolarHBondContact O-OG1 2.67Å; L142-T145 PolarHBondContact O-N 3.47Å
146	Y	85.3	Confident	86.5	Confident	18 Å²	18	54.9 Å²	54.9	7%	0.071	30%	0.296	C	S	.	.	H	α-helix	trans	-103.3	-4.8	-172.5	-63	-73	0	0	0	113.6	R76 L123 E126 V127 K130 L142 L148	R76-Y146 VanDerWaalsContact CZ-O 3.31Å; R76-Y146 PolarHBondContact NH1-O 2.98Å; R76-Y146 PolarHBondContact NH2-O 3.07Å; L123-Y146 HydrophobicContact CD1-CD1 3.21Å; L123-Y146 HydrophobicContact CD1-CD2 3.68Å; L123-Y146 HydrophobicContact CD1-CE1 3.13Å; L123-Y146 HydrophobicContact CD1-CE2 3.63Å; L123-Y146 HydrophobicContact CD1-CG 3.49Å; L123-Y146 VanDerWaalsContact CD1-CG 3.49Å; E126-Y146 WeakPolarHBondContact OE2-CE1 3.42Å; E126-Y146 PolarHBondContact OE2-OH 2.95Å; V127-Y146 HydrophobicContact CG2-CE2 4.19Å; K130-Y146 PolarHBondContact NZ-OH 2.99Å; L142-Y146 HydrophobicContact CB-CD2 4.3Å; L142-Y146 HydrophobicContact CD2-CD2 4.06Å; L142-Y146 HydrophobicContact CD2-CE2 3.68Å; L142-Y146 WeakPolarHBondContact O-CB 3.46Å; L142-Y146 WeakPolarHBondContact O-CD2 3.34Å; L142-Y146 PolarHBondContact O-N 3.36Å; Y146-L148 VanDerWaalsContact C-N 3.32Å; Y146-L148 PolarHBondContact O-N 3.13Å
147	D	84.6	Confident	86.6	Confident	117 Å²	117	52.3 Å²	52.3	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	50.3	-179	-167.8	39.5	0	0	0	112.3	R76 C143	R76-D147 PolarHBondContact NH2-O 3.42Å; C143-D147 VanDerWaalsContact O-CA 3.25Å; C143-D147 WeakPolarHBondContact O-CA 3.33Å; C143-D147 PolarHBondContact O-N 2.99Å
148	L	86.7	Confident	86.4	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.037	30%	0.303	C	S	.	.			trans	-129.3	146.6	179.7	-70.5	173.3	0	0	0	110.8	I115 Y119 L123 C143 Y146 G150 F152 L153	I115-L148 HydrophobicContact CD1-CD1 4.46Å; I115-L148 HydrophobicContact CD1-CD2 3.45Å; I115-L148 VanDerWaalsContact CD1-CD2 3.45Å; Y119-L148 HydrophobicContact CE1-CD1 4.45Å; L123-L148 HydrophobicContact CD2-CD1 4.28Å; C143-L148 PolarHBondContact SG-O 3.09Å; C143-L148 VanDerWaalsContact SG-O 3.33Å; Y146-L148 VanDerWaalsContact C-N 3.32Å; Y146-L148 PolarHBondContact O-N 3.13Å; L148-G150 PolarHBondContact O-N 3.32Å; L148-F152 HydrophobicContact CD1-CE1 4.49Å; L148-L153 HydrophobicContact CB-CD1 4Å; L148-L153 HydrophobicContact CB-CD2 4.02Å; L148-L153 HydrophobicContact CB-CG 3.83Å; L148-L153 HydrophobicContact CD1-CD2 3.83Å
149	P	87.6	Confident	86.3	Confident	41 Å²	41	58.9 Å²	58.9	27%	0.266	32%	0.316	S	S	.	.			trans	-58.6	137.3	178.9	-23.8	33.6	0	0	0	112.6	V110 L111 N151 F152 L153	V110-P149 HydrophobicContact CG1-CG 3.69Å; L111-P149 HydrophobicContact CD1-CG 3.61Å; L111-P149 HydrophobicContact CG-CG 3.94Å; P149-N151 VanDerWaalsContact C-N 3.34Å; P149-N151 PolarHBondContact O-N 3.48Å; P149-F152 HydrophobicContact CB-CB 4.07Å; P149-F152 HydrophobicContact CG-CB 4.47Å; P149-F152 WeakPolarHBondContact O-CB 3.3Å; P149-F152 PolarHBondContact O-N 3.42Å; P149-F152 VanDerWaalsContact O-N 3.09Å; P149-L153 PolarHBondContact O-N 3.24Å
150	G	83.8	Confident	86.2	Confident	23 Å²	23	59.3 Å²	59.3	24%	0.237	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-39.4	-178	0	0	0	0	0	114	C143 L148 F152 L153 T154	C143-G150 WeakPolarHBondContact SG-CA 3.49Å; C143-G150 PolarHBondContact SG-N 3.39Å; L148-G150 PolarHBondContact O-N 3.32Å; G150-F152 VanDerWaalsContact C-N 3.29Å; G150-F152 PolarHBondContact O-N 3.11Å; G150-L153 PolarHBondContact O-N 2.99Å; G150-T154 WeakPolarHBondContact O-CB 3.44Å; G150-T154 PolarHBondContact O-N 2.99Å; G150-T154 PolarHBondContact O-OG1 3.49Å
151	N	85.4	Confident	86.1	Confident	145 Å²	145	57.3 Å²	57.3	78%	0.775	30%	0.3	S	S	*	.	H	α-helix	trans	-63.2	-39.1	176.9	-64.9	-16.3	0	0	0	111.7	P149 T154 Q155	P149-N151 VanDerWaalsContact C-N 3.34Å; P149-N151 PolarHBondContact O-N 3.48Å; N151-T154 PolarHBondContact O-N 3.41Å; N151-Q155 PolarHBondContact O-N 3.24Å; N151-Q155 VanDerWaalsContact O-N 3.08Å
152	F	87	Confident	85.7	Confident	27 Å²	27	55.6 Å²	55.6	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-49.6	177.8	178.5	-103.7	0	0	0	111.2	V110 I115 L120 L148 P149 G150 T154 Q155 A156	V110-F152 HydrophobicContact CG1-CD1 4.44Å; V110-F152 HydrophobicContact CG1-CG 4.32Å; V110-F152 HydrophobicContact CG2-CD1 4.27Å; V110-F152 HydrophobicContact CG2-CD2 3.77Å; V110-F152 HydrophobicContact CG2-CE1 4.04Å; V110-F152 HydrophobicContact CG2-CE2 3.5Å; V110-F152 HydrophobicContact CG2-CG 4.14Å; V110-F152 HydrophobicContact CG2-CZ 3.66Å; I115-F152 HydrophobicContact CD1-CE1 4.09Å; I115-F152 HydrophobicContact CD1-CZ 4.43Å; L120-F152 HydrophobicContact CD1-CZ 4.1Å; L120-F152 HydrophobicContact CD2-CE1 3.98Å; L120-F152 HydrophobicContact CD2-CZ 4.28Å; L148-F152 HydrophobicContact CD1-CE1 4.49Å; P149-F152 HydrophobicContact CB-CB 4.07Å; P149-F152 HydrophobicContact CG-CB 4.47Å; P149-F152 WeakPolarHBondContact O-CB 3.3Å; P149-F152 PolarHBondContact O-N 3.42Å; P149-F152 VanDerWaalsContact O-N 3.09Å; G150-F152 VanDerWaalsContact C-N 3.29Å; G150-F152 PolarHBondContact O-N 3.11Å; F152-T154 VanDerWaalsContact C-N 3.32Å; F152-T154 PolarHBondContact O-N 2.89Å; F152-Q155 PolarHBondContact O-N 2.86Å; F152-A156 WeakPolarHBondContact O-CB 3.37Å; F152-A156 PolarHBondContact O-N 3.17Å
153	L	86.4	Confident	85.5	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-43	175.1	-74.5	176.9	0	0	0	111.8	L123 I139 L142 L148 P149 G150 Q155 A156 L157	L123-L153 HydrophobicContact CD2-CD2 3.86Å; I139-L153 HydrophobicContact CG2-CB 4.33Å; L142-L153 HydrophobicContact CB-CD1 4.03Å; L148-L153 HydrophobicContact CB-CD1 4Å; L148-L153 HydrophobicContact CB-CD2 4.02Å; L148-L153 HydrophobicContact CB-CG 3.83Å; L148-L153 HydrophobicContact CD1-CD2 3.83Å; P149-L153 PolarHBondContact O-N 3.24Å; G150-L153 PolarHBondContact O-N 2.99Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 3.13Å; L153-A156 PolarHBondContact O-N 3.02Å; L153-L157 HydrophobicContact CB-CD1 4.48Å; L153-L157 VanDerWaalsContact O-CB 3.27Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.43Å
154	T	85.6	Confident	85.2	Confident	33 Å²	33	66.2 Å²	66.2	20%	0.202	35%	0.35	C	S	.	.	H	α-helix	trans	-57.1	-48.5	177.2	-51.6	0	0	0	0	110.5	I139 G150 N151 F152 T158	I139-T154 HydrophobicContact CD1-CG2 3.84Å; I139-T154 WeakPolarHBondContact CD1-OG1 3.41Å; G150-T154 WeakPolarHBondContact O-CB 3.44Å; G150-T154 PolarHBondContact O-N 2.99Å; G150-T154 PolarHBondContact O-OG1 3.49Å; N151-T154 PolarHBondContact O-N 3.41Å; F152-T154 VanDerWaalsContact C-N 3.32Å; F152-T154 PolarHBondContact O-N 2.89Å; T154-T158 WeakPolarHBondContact O-CB 3.37Å; T154-T158 PolarHBondContact O-N 3.45Å; T154-T158 PolarHBondContact O-OG1 3.22Å
155	Q	85.6	Confident	85.2	Confident	122 Å²	122	57.5 Å²	57.5	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-65.9	-47.1	-179.9	-175.9	177.2	-5.3	0	0	112.1	N151 F152 L153 T158 Q159	N151-Q155 PolarHBondContact O-N 3.24Å; N151-Q155 VanDerWaalsContact O-N 3.08Å; F152-Q155 PolarHBondContact O-N 2.86Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 3.13Å; Q155-T158 PolarHBondContact O-N 2.94Å; Q155-Q159 WeakPolarHBondContact O-CG 3.42Å; Q155-Q159 PolarHBondContact O-N 2.9Å; Q155-Q159 VanDerWaalsContact O-N 3.14Å
156	A	85.4	Confident	84.9	Confident	8 Å²	8	57.3 Å²	57.3	7%	0.066	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-45.4	-179	0	0	0	0	0	111.9	L120 F152 L153 R160	L120-A156 HydrophobicContact CD1-CB 4.3Å; L120-A156 HydrophobicContact CD2-CB 4.44Å; F152-A156 WeakPolarHBondContact O-CB 3.37Å; F152-A156 PolarHBondContact O-N 3.17Å; L153-A156 PolarHBondContact O-N 3.02Å; A156-R160 WeakPolarHBondContact O-CD 3.3Å
157	L	86.3	Confident	84.8	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-69.1	-40.9	177.5	-62.1	170.4	0	0	0	110.9	A124 V127 L142 L153 Q159 R160 L161 I165 I177	A124-L157 HydrophobicContact CB-CD2 4.48Å; V127-L157 HydrophobicContact CB-CD2 4.36Å; V127-L157 HydrophobicContact CG1-CD2 4.29Å; V127-L157 HydrophobicContact CG2-CD2 4.32Å; L142-L157 HydrophobicContact CD1-CD1 3.65Å; L153-L157 HydrophobicContact CB-CD1 4.48Å; L153-L157 VanDerWaalsContact O-CB 3.27Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.43Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 2.97Å; L157-R160 CarbonylContact O-C 3.6Å; L157-R160 WeakPolarHBondContact O-CA 3.43Å; L157-R160 PolarHBondContact O-N 3.48Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.47Å; L157-I165 HydrophobicContact CB-CD1 4.1Å; L157-I165 HydrophobicContact CD2-CD1 3.46Å; L157-I165 VanDerWaalsContact CD2-CD1 3.46Å; L157-I165 HydrophobicContact CG-CD1 4.35Å; L157-I177 HydrophobicContact CB-CD1 4.43Å; L157-I177 HydrophobicContact CD1-CD1 4.05Å
158	T	84.9	Confident	84.5	Confident	68 Å²	68	57.4 Å²	57.4	42%	0.417	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-38.9	179.2	-60.1	0	0	0	0	112.4	T154 Q155 R160 L161 I169	T154-T158 WeakPolarHBondContact O-CB 3.37Å; T154-T158 PolarHBondContact O-N 3.45Å; T154-T158 PolarHBondContact O-OG1 3.22Å; Q155-T158 PolarHBondContact O-N 2.94Å; T158-R160 PolarHBondContact O-N 3.32Å; T158-L161 HydrophobicContact CG2-CD1 4.45Å; T158-L161 PolarHBondContact O-N 3.46Å; T158-I169 WeakPolarHBondContact OG1-CD1 3.37Å
159	Q	85.2	Confident	84	Confident	122 Å²	122	59 Å²	59	57%	0.57	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.6	175.2	-71.7	177.7	-7.7	0	0	113.4	Q155 L157	Q155-Q159 WeakPolarHBondContact O-CG 3.42Å; Q155-Q159 PolarHBondContact O-N 2.9Å; Q155-Q159 VanDerWaalsContact O-N 3.14Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 2.97Å
160	R	85.6	Confident	83.1	Confident	17 Å²	17	59 Å²	59	6%	0.064	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-3.4	-174.5	-70.1	166.5	166.8	43.3	15.4	113.4	E117 D121 A124 A156 L157 T158 R163 I164 I165	E117-R160 IonicContact OE1-CZ 3.91Å; E117-R160 IonicContact OE1-NH1 3.71Å; E117-R160 IonicContact OE1-NH2 3.13Å; E117-R160 PolarHBondContact OE1-NH2 3.22Å; D121-R160 IonicContact OD1-CZ 3.42Å; D121-R160 IonicContact OD1-NE 2.97Å; D121-R160 PolarHBondContact OD1-NE 3.02Å; D121-R160 IonicContact OD1-NH2 3.95Å; D121-R160 PolarHBondContact OD1-NH2 3.35Å; D121-R160 IonicContact OD2-NH2 2.93Å; A124-R160 HydrophobicContact CB-CB 4.35Å; A156-R160 WeakPolarHBondContact O-CD 3.3Å; L157-R160 CarbonylContact O-C 3.6Å; L157-R160 WeakPolarHBondContact O-CA 3.43Å; L157-R160 PolarHBondContact O-N 3.48Å; T158-R160 PolarHBondContact O-N 3.32Å; R160-R163 PolarHBondContact O-N 3.05Å; R160-I164 HydrophobicContact CG-CD1 4.31Å; R160-I164 PolarHBondContact O-N 2.82Å; R160-I165 HydrophobicContact CB-CD1 4.46Å; R160-I165 PolarHBondContact O-N 3.29Å; R160-I165 VanDerWaalsContact O-N 3.11Å
161	L	84.1	Confident	82.2	Confident	43 Å²	43	65.6 Å²	65.6	23%	0.225	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-63.7	136.5	171.4	-71.4	170.2	0	0	0	110.6	L157 T158 R163 I165 I169 I177	L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.47Å; T158-L161 HydrophobicContact CG2-CD1 4.45Å; T158-L161 PolarHBondContact O-N 3.46Å; L161-R163 PolarHBondContact O-N 2.84Å; L161-I165 HydrophobicContact CD2-CB 4.07Å; L161-I165 HydrophobicContact CD2-CG2 3.8Å; L161-I169 HydrophobicContact CD1-CB 4.4Å; L161-I169 HydrophobicContact CD1-CD1 3.37Å; L161-I169 HydrophobicContact CD1-CG1 3.57Å; L161-I177 HydrophobicContact CD2-CG2 4.19Å
162	G	78.1	Confident	81.1	Confident	74 Å²	74	65.2 Å²	65.2	76%	0.763	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-11.2	-178.4	0	0	0	0	0	114.7	I165	G162-I165 PolarHBondContact N-O 3.19Å
163	R	83.1	Confident	80.3	Confident	219 Å²	219	66.8 Å²	66.8	83%	0.826	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-60.7	172.8	-174.3	179.9	177.2	-174.6	-3.8	111.8	R160 L161	R160-R163 PolarHBondContact O-N 3.05Å; L161-R163 PolarHBondContact O-N 2.84Å
164	I	84	Confident	79.4	Confident	37 Å²	37	76 Å²	76	19%	0.19	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-46.9	-179.6	-58.1	175.2	0	0	0	109	D121 A124 E125 R160	D121-I164 HydrophobicContact CB-CD1 4.18Å; D121-I164 WeakPolarHBondContact OD1-CD1 3.49Å; A124-I164 HydrophobicContact CB-CB 4.44Å; A124-I164 HydrophobicContact CB-CG2 4Å; E125-I164 HydrophobicContact CG-CG2 3.68Å; R160-I164 HydrophobicContact CG-CD1 4.31Å; R160-I164 PolarHBondContact O-N 2.82Å
165	I	86.2	Confident	78.8	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-91.4	116.9	-178.3	-58.1	164.1	0	0	0	109.4	A124 N128 L131 L157 R160 L161 G162 G167	A124-I165 HydrophobicContact CB-CD1 3.9Å; A124-I165 HydrophobicContact CB-CG1 4.03Å; A124-I165 WeakPolarHBondContact O-CG1 3.3Å; N128-I165 HydrophobicContact CB-CG1 4.26Å; L131-I165 HydrophobicContact CD2-CG2 3.71Å; L157-I165 HydrophobicContact CB-CD1 4.1Å; L157-I165 HydrophobicContact CD2-CD1 3.46Å; L157-I165 VanDerWaalsContact CD2-CD1 3.46Å; L157-I165 HydrophobicContact CG-CD1 4.35Å; R160-I165 HydrophobicContact CB-CD1 4.46Å; R160-I165 PolarHBondContact O-N 3.29Å; R160-I165 VanDerWaalsContact O-N 3.11Å; L161-I165 HydrophobicContact CD2-CB 4.07Å; L161-I165 HydrophobicContact CD2-CG2 3.8Å; G162-I165 PolarHBondContact N-O 3.19Å; I165-G167 VanDerWaalsContact C-N 3.34Å; I165-G167 PolarHBondContact O-N 2.74Å; I165-G167 VanDerWaalsContact O-N 3.17Å
166	S	82.6	Confident	78.6	Confident	78 Å²	78	70.2 Å²	70.2	55%	0.545	37%	0.369	S	S	.	.			trans	-87.6	73	175.4	-63.8	0	0	0	0	110.4	N128 Q132	N128-S166 PolarHBondContact OD1-N 2.84Å; Q132-S166 PolarHBondContact NE2-O 3.5Å
167	G	82.1	Confident	78.6	Confident	9 Å²	9	69.9 Å²	69.9	9%	0.093	37%	0.366	C	S	.	.			trans	-156.5	167.3	-179.5	0	0	0	0	0	113.2	I165 F178	I165-G167 VanDerWaalsContact C-N 3.34Å; I165-G167 PolarHBondContact O-N 2.74Å; I165-G167 VanDerWaalsContact O-N 3.17Å; G167-F178 CarbonylContact C-O 3.55Å; G167-F178 VanDerWaalsContact CA-O 3.25Å; G167-F178 WeakPolarHBondContact CA-O 3.28Å
168	H	79.1	Confident	78.5	Confident	127 Å²	127	70.5 Å²	70.5	59%	0.588	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	139	175.8	-68.5	-74.6	0	0	0	110.1	F178	H168-F178 PolarHBondContact N-O 2.75Å; H168-F178 PolarHBondContact O-N 3.01Å
169	I	75.9	Confident	78.6	Confident	41 Å²	41	67.6 Å²	67.6	21%	0.21	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.2	168	-72.3	173.8	0	0	0	108.5	T158 L161 R174 I177	T158-I169 WeakPolarHBondContact OG1-CD1 3.37Å; L161-I169 HydrophobicContact CD1-CB 4.4Å; L161-I169 HydrophobicContact CD1-CD1 3.37Å; L161-I169 HydrophobicContact CD1-CG1 3.57Å; I169-R174 HydrophobicContact CG2-CB 4.49Å; I169-I177 HydrophobicContact CG1-CG1 3.9Å
170	D	68.8	Low	78.5	Confident	41 Å²	41	69 Å²	69	22%	0.219	36%	0.357	C	S	.	.			trans	-66.6	131.5	169.6	-153.5	-28.6	0	0	0	111.3	D172 N173 R174 V176 F178	D170-D172 VanDerWaalsContact C-N 3.26Å; D170-D172 PolarHBondContact O-N 3.28Å; D170-D172 PolarHBondContact OD1-N 3.45Å; D170-N173 HydrophobicContact CB-CB 4.15Å; D170-N173 WeakPolarHBondContact CB-O 3.34Å; D170-N173 CarbonylContact O-C 3.59Å; D170-N173 VanDerWaalsContact O-C 3.28Å; D170-N173 PolarHBondContact O-N 3.09Å; D170-R174 PolarHBondContact O-N 2.86Å; D170-V176 PolarHBondContact N-O 3.04Å; D170-F178 HydrophobicContact CB-CD2 4.47Å; D170-F178 HydrophobicContact CB-CE2 3.82Å
171	L	64.7	Low	78.4	Confident	162 Å²	162	71.6 Å²	71.6	85%	0.848	38%	0.382	S	S	*	.	S	Bend	trans	-68.2	-31.5	174.7	-67.9	172.4	0	0	0	111.3
172	D	62.5	Low	78.4	Confident	136 Å²	136	70.9 Å²	70.9	73%	0.727	38%	0.377	S	S	*	.	S	Bend	trans	-84.2	-26.3	-179.8	-67.8	-25.4	0	0	0	111.9	D170	D170-D172 VanDerWaalsContact C-N 3.26Å; D170-D172 PolarHBondContact O-N 3.28Å; D170-D172 PolarHBondContact OD1-N 3.45Å
173	N	69.2	Low	78.7	Confident	60 Å²	60	69.7 Å²	69.7	32%	0.321	36%	0.355	S	S	.	.			trans	-136.3	86	177.9	-169.2	-10.3	0	0	0	112.1	D170 G175 V176	D170-N173 HydrophobicContact CB-CB 4.15Å; D170-N173 WeakPolarHBondContact CB-O 3.34Å; D170-N173 CarbonylContact O-C 3.59Å; D170-N173 VanDerWaalsContact O-C 3.28Å; D170-N173 PolarHBondContact O-N 3.09Å; N173-G175 PolarHBondContact O-N 2.92Å; N173-G175 PolarHBondContact OD1-N 3.5Å; N173-V176 PolarHBondContact O-N 2.82Å; N173-V176 VanDerWaalsContact O-N 3.14Å
174	R	67.8	Low	78.8	Confident	194 Å²	194	61.9 Å²	61.9	73%	0.732	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-8.7	178.9	-63.4	-173.3	-179.5	-168.3	-0.5	114.8	I139 I169 D170	I139-R174 WeakPolarHBondContact CD1-O 3.33Å; I169-R174 HydrophobicContact CG2-CB 4.49Å; D170-R174 PolarHBondContact O-N 2.86Å
175	G	73.2	Confident	78.9	Confident	24 Å²	24	68.8 Å²	68.8	25%	0.247	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.7	178.8	0	0	0	0	0	114.9	T138 I139 N173	T138-G175 CarbonylContact C-O 3.54Å; T138-G175 WeakPolarHBondContact CA-O 3.36Å; I139-G175 WeakPolarHBondContact CG1-O 3.1Å; I139-G175 PolarHBondContact N-O 3.49Å; N173-G175 PolarHBondContact O-N 2.92Å; N173-G175 PolarHBondContact OD1-N 3.5Å
176	V	82.4	Confident	78.8	Confident	11 Å²	11	69.6 Å²	69.6	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.1	-176.3	-162.1	0	0	0	0	111.7	T138 D170 N173 F178	T138-V176 HydrophobicContact CG2-CG1 4.25Å; T138-V176 HydrophobicContact CG2-CG2 4.2Å; D170-V176 PolarHBondContact N-O 3.04Å; N173-V176 PolarHBondContact O-N 2.82Å; N173-V176 VanDerWaalsContact O-N 3.14Å; V176-F178 HydrophobicContact CB-CE1 4.05Å; V176-F178 HydrophobicContact CB-CE2 3.96Å; V176-F178 HydrophobicContact CB-CZ 3.57Å; V176-F178 HydrophobicContact CG1-CD1 3.81Å; V176-F178 HydrophobicContact CG1-CD2 4.46Å; V176-F178 HydrophobicContact CG1-CE1 3.16Å; V176-F178 HydrophobicContact CG1-CE2 3.93Å; V176-F178 HydrophobicContact CG1-CG 4.42Å; V176-F178 HydrophobicContact CG1-CZ 3.23Å; V176-F178 HydrophobicContact CG2-CZ 4.36Å
177	I	84.1	Confident	79.1	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.8	175.1	-53.5	172.1	0	0	0	107.5	L131 Q136 V137 L157 L161 I169	L131-I177 HydrophobicContact CD1-CB 4.4Å; L131-I177 HydrophobicContact CD1-CG2 4.13Å; L131-I177 VanDerWaalsContact CD1-O 3.25Å; L131-I177 WeakPolarHBondContact CD1-O 3.48Å; L131-I177 HydrophobicContact CD2-CG2 3.61Å; Q136-I177 WeakPolarHBondContact CA-O 3.14Å; V137-I177 PolarHBondContact N-O 3.08Å; V137-I177 PolarHBondContact O-N 3.19Å; L157-I177 HydrophobicContact CB-CD1 4.43Å; L157-I177 HydrophobicContact CD1-CD1 4.05Å; L161-I177 HydrophobicContact CD2-CG2 4.19Å; I169-I177 HydrophobicContact CG1-CG1 3.9Å
178	F	85.7	Confident	79.4	Confident	16 Å²	16	70.6 Å²	70.6	7%	0.07	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.7	180	-48.7	-77.1	0	0	0	111.3	Q136 G167 H168 D170 V176 F182 V183	Q136-F178 HydrophobicContact CB-CD1 3.64Å; Q136-F178 HydrophobicContact CB-CE1 4.08Å; G167-F178 CarbonylContact C-O 3.55Å; G167-F178 VanDerWaalsContact CA-O 3.25Å; G167-F178 WeakPolarHBondContact CA-O 3.28Å; H168-F178 PolarHBondContact N-O 2.75Å; H168-F178 PolarHBondContact O-N 3.01Å; D170-F178 HydrophobicContact CB-CD2 4.47Å; D170-F178 HydrophobicContact CB-CE2 3.82Å; V176-F178 HydrophobicContact CB-CE1 4.05Å; V176-F178 HydrophobicContact CB-CE2 3.96Å; V176-F178 HydrophobicContact CB-CZ 3.57Å; V176-F178 HydrophobicContact CG1-CD1 3.81Å; V176-F178 HydrophobicContact CG1-CD2 4.46Å; V176-F178 HydrophobicContact CG1-CE1 3.16Å; V176-F178 HydrophobicContact CG1-CE2 3.93Å; V176-F178 HydrophobicContact CG1-CG 4.42Å; V176-F178 HydrophobicContact CG1-CZ 3.23Å; V176-F178 HydrophobicContact CG2-CZ 4.36Å; F178-F182 HydrophobicContact CB-CD1 4.46Å; F178-F182 HydrophobicContact CD1-CD1 4.09Å; F178-F182 HydrophobicContact CD1-CE1 4.03Å; F178-F182 HydrophobicContact CE1-CE1 4.44Å; F178-V183 HydrophobicContact CB-CG2 4.11Å
179	T	86.6	Confident	79.9	Confident	8 Å²	8	69.1 Å²	69.1	5%	0.049	35%	0.354	C	S	.	.			trans	-85.7	150.6	166.2	64.6	0	0	0	0	111.2	L131 G135 A181 F182 V183	L131-T179 HydrophobicContact CD1-CG2 4.09Å; L131-T179 HydrophobicContact CD2-CG2 4.17Å; L131-T179 HydrophobicContact CG-CG2 3.67Å; G135-T179 PolarHBondContact O-N 3.46Å; G135-T179 VanDerWaalsContact O-N 3.09Å; T179-A181 PolarHBondContact O-N 2.99Å; T179-F182 WeakPolarHBondContact O-CB 3.43Å; T179-F182 PolarHBondContact O-N 2.84Å; T179-F182 VanDerWaalsContact O-N 3.16Å; T179-F182 WeakPolarHBondContact OG1-CB 3.36Å; T179-F182 PolarHBondContact OG1-N 3.34Å; T179-V183 PolarHBondContact O-N 3.06Å; T179-V183 VanDerWaalsContact O-N 3.14Å
180	E	82.6	Confident	80.5	Confident	150 Å²	150	67.3 Å²	67.3	70%	0.701	35%	0.345	S	S	*	.	H	α-helix	trans	-60	-37.5	173.5	-171.2	-179.3	-179.1	0	0	111.2	F182 V183 A184	E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 3.29Å; E180-V183 PolarHBondContact O-N 3.27Å; E180-A184 VanDerWaalsContact O-CB 3.31Å; E180-A184 WeakPolarHBondContact O-CB 3.26Å; E180-A184 PolarHBondContact O-N 3.48Å
181	A	84.6	Confident	81.4	Confident	72 Å²	72	70.5 Å²	70.5	60%	0.595	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-40.1	175.7	0	0	0	0	0	112.4	T179 R185	T179-A181 PolarHBondContact O-N 2.99Å; A181-R185 VanDerWaalsContact O-CB 3.25Å; A181-R185 WeakPolarHBondContact O-CB 3.3Å; A181-R185 PolarHBondContact O-N 3.28Å
182	F	84.1	Confident	82.6	Confident	28 Å²	28	64.9 Å²	64.9	12%	0.123	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-49.2	175.6	-180	-96.5	0	0	0	111.3	G135 Q136 F178 T179 E180 A184 R185 H186 L216	G135-F182 WeakPolarHBondContact O-CB 3.44Å; G135-F182 WeakPolarHBondContact O-CG 3.32Å; Q136-F182 HydrophobicContact CB-CE1 4.22Å; Q136-F182 HydrophobicContact CB-CZ 4.23Å; Q136-F182 HydrophobicContact CG-CE2 4.45Å; Q136-F182 HydrophobicContact CG-CZ 4.17Å; Q136-F182 VanDerWaalsContact OE1-CZ 3.23Å; F178-F182 HydrophobicContact CB-CD1 4.46Å; F178-F182 HydrophobicContact CD1-CD1 4.09Å; F178-F182 HydrophobicContact CD1-CE1 4.03Å; F178-F182 HydrophobicContact CE1-CE1 4.44Å; T179-F182 WeakPolarHBondContact O-CB 3.43Å; T179-F182 PolarHBondContact O-N 2.84Å; T179-F182 VanDerWaalsContact O-N 3.16Å; T179-F182 WeakPolarHBondContact OG1-CB 3.36Å; T179-F182 PolarHBondContact OG1-N 3.34Å; E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 3.29Å; F182-A184 PolarHBondContact O-N 2.97Å; F182-R185 PolarHBondContact O-N 2.98Å; F182-H186 AromaticContact CD2-CD2 3.81Å; F182-H186 AromaticContact CD2-NE2 3.91Å; F182-H186 AromaticContact CE1-CD2 3.75Å; F182-H186 AromaticContact CE1-NE2 3.9Å; F182-H186 AromaticContact CE2-CD2 3.55Å; F182-H186 AromaticContact CE2-NE2 3.2Å; F182-H186 WeakPolarHBondContact CE2-NE2 3.16Å; F182-H186 AromaticContact CZ-CD2 3.52Å; F182-H186 AromaticContact CZ-CE1 3.69Å; F182-H186 AromaticContact CZ-NE2 3.19Å; F182-H186 WeakPolarHBondContact CZ-NE2 3.43Å; F182-H186 WeakPolarHBondContact O-CB 3.41Å; F182-H186 PolarHBondContact O-CD2 3.4Å; F182-H186 VanDerWaalsContact O-CD2 3.27Å; F182-H186 PolarHBondContact O-N 3.04Å; F182-L216 HydrophobicContact CE1-CD2 4.49Å
183	V	83.2	Confident	83.9	Confident	49 Å²	49	59.9 Å²	59.9	30%	0.297	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-45.3	178	178.2	0	0	0	0	111	F178 T179 E180 R185 H186 K187	F178-V183 HydrophobicContact CB-CG2 4.11Å; T179-V183 PolarHBondContact O-N 3.06Å; T179-V183 VanDerWaalsContact O-N 3.14Å; E180-V183 PolarHBondContact O-N 3.27Å; V183-R185 PolarHBondContact O-N 3.47Å; V183-H186 PolarHBondContact O-N 2.99Å; V183-K187 VanDerWaalsContact O-CB 3.3Å; V183-K187 WeakPolarHBondContact O-CB 3.46Å; V183-K187 PolarHBondContact O-N 3.03Å
184	A	85.5	Confident	84.8	Confident	55 Å²	55	57.1 Å²	57.1	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-42.2	177.8	0	0	0	0	0	112.1	E180 F182 K187 A188	E180-A184 VanDerWaalsContact O-CB 3.31Å; E180-A184 WeakPolarHBondContact O-CB 3.26Å; E180-A184 PolarHBondContact O-N 3.48Å; F182-A184 PolarHBondContact O-N 2.97Å; A184-K187 PolarHBondContact O-N 2.86Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.12Å
185	R	85.5	Confident	85.8	Confident	183 Å²	183	50.9 Å²	50.9	69%	0.691	28%	0.279	S	S	*	.	H	α-helix	trans	-65.1	-44	176	-172.8	175.7	-175.8	163.7	0	111.4	A181 F182 V183 A188 R189	A181-R185 VanDerWaalsContact O-CB 3.25Å; A181-R185 WeakPolarHBondContact O-CB 3.3Å; A181-R185 PolarHBondContact O-N 3.28Å; F182-R185 PolarHBondContact O-N 2.98Å; V183-R185 PolarHBondContact O-N 3.47Å; R185-A188 PolarHBondContact O-N 3.48Å; R185-R189 VanDerWaalsContact O-CG 3.27Å; R185-R189 WeakPolarHBondContact O-CG 3.32Å; R185-R189 PolarHBondContact O-N 3.01Å
186	H	85.3	Confident	86.5	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-45.9	175.6	-87.6	-102.9	0	0	0	111.4	F182 V183 A188 R189 I190 L216	F182-H186 AromaticContact CD2-CD2 3.81Å; F182-H186 AromaticContact CD2-NE2 3.91Å; F182-H186 AromaticContact CE1-CD2 3.75Å; F182-H186 AromaticContact CE1-NE2 3.9Å; F182-H186 AromaticContact CE2-CD2 3.55Å; F182-H186 AromaticContact CE2-NE2 3.2Å; F182-H186 WeakPolarHBondContact CE2-NE2 3.16Å; F182-H186 AromaticContact CZ-CD2 3.52Å; F182-H186 AromaticContact CZ-CE1 3.69Å; F182-H186 AromaticContact CZ-NE2 3.19Å; F182-H186 WeakPolarHBondContact CZ-NE2 3.43Å; F182-H186 WeakPolarHBondContact O-CB 3.41Å; F182-H186 PolarHBondContact O-CD2 3.4Å; F182-H186 VanDerWaalsContact O-CD2 3.27Å; F182-H186 PolarHBondContact O-N 3.04Å; V183-H186 PolarHBondContact O-N 2.99Å; H186-A188 VanDerWaalsContact C-N 3.33Å; H186-A188 PolarHBondContact O-N 3.18Å; H186-R189 WeakPolarHBondContact O-CB 3.41Å; H186-R189 PolarHBondContact O-N 2.88Å; H186-I190 WeakPolarHBondContact O-CG1 3.27Å; H186-I190 PolarHBondContact O-N 2.67Å; H186-L216 HydrophobicContact CB-CD2 4.05Å
187	K	87.9	Confident	86.9	Confident	63 Å²	63	53.7 Å²	53.7	27%	0.274	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-41.6	174.2	-176.5	164.8	-175.3	165.6	0	112.5	V183 A184 R191 V220 E223	V183-K187 VanDerWaalsContact O-CB 3.3Å; V183-K187 WeakPolarHBondContact O-CB 3.46Å; V183-K187 PolarHBondContact O-N 3.03Å; A184-K187 PolarHBondContact O-N 2.86Å; K187-R191 WeakPolarHBondContact O-CB 3.4Å; K187-R191 PolarHBondContact O-N 3.36Å; K187-V220 HydrophobicContact CB-CG1 4.03Å; K187-V220 HydrophobicContact CD-CG1 4.3Å; K187-V220 HydrophobicContact CG-CG1 3.75Å; K187-E223 IonicContact NZ-OE1 3.88Å; K187-E223 PolarHBondContact NZ-OE1 3.21Å; K187-E223 IonicContact NZ-OE2 3.99Å; K187-E223 PolarHBondContact NZ-OE2 3.35Å
188	A	88.3	Confident	87	Confident	45 Å²	45	57.8 Å²	57.8	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-41.5	175.9	0	0	0	0	0	112.5	A184 R185 H186 G192	A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.12Å; R185-A188 PolarHBondContact O-N 3.48Å; H186-A188 VanDerWaalsContact C-N 3.33Å; H186-A188 PolarHBondContact O-N 3.18Å; A188-G192 PolarHBondContact O-N 3.02Å
189	R	89.8	Confident	87.1	Confident	96 Å²	96	65.8 Å²	65.8	36%	0.362	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-48.5	175.2	-72.8	172.5	68.7	-159.9	-1.4	111.5	R185 H186 G192 L193 Y210 F212	R185-R189 VanDerWaalsContact O-CG 3.27Å; R185-R189 WeakPolarHBondContact O-CG 3.32Å; R185-R189 PolarHBondContact O-N 3.01Å; H186-R189 WeakPolarHBondContact O-CB 3.41Å; H186-R189 PolarHBondContact O-N 2.88Å; R189-G192 PolarHBondContact O-N 2.66Å; R189-L193 WeakPolarHBondContact O-CB 3.4Å; R189-L193 PolarHBondContact O-N 3.23Å; R189-Y210 PolarHBondContact NH2-O 3Å; R189-F212 HydrophobicContact CB-CE1 3.91Å; R189-F212 HydrophobicContact CB-CZ 4.11Å
190	I	88.6	Confident	87.2	Confident	2 Å²	2	68 Å²	68	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-59.6	-51.1	177.2	-65.8	165.3	0	0	0	109.3	H186 G192 L193 F194 F212 L217 V220 L224	H186-I190 WeakPolarHBondContact O-CG1 3.27Å; H186-I190 PolarHBondContact O-N 2.67Å; I190-G192 VanDerWaalsContact C-N 3.32Å; I190-G192 PolarHBondContact O-N 3.34Å; I190-L193 PolarHBondContact O-N 3.12Å; I190-F194 HydrophobicContact CG2-CD2 3.76Å; I190-F194 HydrophobicContact CG2-CE2 4.04Å; I190-F194 VanDerWaalsContact O-CD2 3.31Å; I190-F194 WeakPolarHBondContact O-CD2 3.33Å; I190-F194 PolarHBondContact O-N 3.26Å; I190-F212 HydrophobicContact CG1-CD1 4.13Å; I190-F212 HydrophobicContact CG1-CE1 3.86Å; I190-F212 HydrophobicContact CG1-CZ 4.25Å; I190-L217 HydrophobicContact CB-CD1 4.27Å; I190-L217 HydrophobicContact CD1-CD1 3.56Å; I190-L217 HydrophobicContact CG1-CD1 3.51Å; I190-L217 HydrophobicContact CG2-CD1 3.76Å; I190-V220 HydrophobicContact CB-CG1 4.45Å; I190-V220 HydrophobicContact CD1-CB 4.05Å; I190-V220 HydrophobicContact CD1-CG1 3.95Å; I190-V220 HydrophobicContact CG2-CG1 4.3Å; I190-L224 HydrophobicContact CG2-CD1 4.25Å
191	R	88.3	Confident	87.5	Confident	109 Å²	109	62.8 Å²	62.8	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-54.7	-47.7	176.8	-177.9	-172.4	67	147.8	3.2	111.9	K187 S195 L224	K187-R191 WeakPolarHBondContact O-CB 3.4Å; K187-R191 PolarHBondContact O-N 3.36Å; R191-S195 WeakPolarHBondContact O-CB 3.5Å; R191-S195 PolarHBondContact O-N 3.39Å; R191-S195 PolarHBondContact O-OG 2.96Å; R191-L224 HydrophobicContact CB-CD1 4.07Å
192	G	89.1	Confident	87.7	Confident	43 Å²	43	61.2 Å²	61.2	44%	0.443	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-46.7	179.7	0	0	0	0	0	112.3	A188 R189 I190 A196	A188-G192 PolarHBondContact O-N 3.02Å; R189-G192 PolarHBondContact O-N 2.66Å; I190-G192 VanDerWaalsContact C-N 3.32Å; I190-G192 PolarHBondContact O-N 3.34Å; G192-A196 PolarHBondContact O-N 3.14Å
193	L	90.1	Very high	87.9	Confident	31 Å²	31	59.9 Å²	59.9	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-55.9	179.8	179.3	62.7	0	0	0	111.6	R189 I190 S195 A196 I197 L206 Y210 F212	R189-L193 WeakPolarHBondContact O-CB 3.4Å; R189-L193 PolarHBondContact O-N 3.23Å; I190-L193 PolarHBondContact O-N 3.12Å; L193-S195 VanDerWaalsContact C-N 3.27Å; L193-S195 PolarHBondContact O-N 3.37Å; L193-A196 WeakPolarHBondContact O-CB 3.35Å; L193-A196 PolarHBondContact O-N 2.91Å; L193-I197 WeakPolarHBondContact O-CG1 3.41Å; L193-I197 PolarHBondContact O-N 3.29Å; L193-L206 HydrophobicContact CD2-CB 4.21Å; L193-L206 HydrophobicContact CD2-CD1 4.22Å; L193-L206 HydrophobicContact CD2-CD2 4.29Å; L193-L206 HydrophobicContact CD2-CG 4.48Å; L193-Y210 HydrophobicContact CD1-CD2 4.44Å; L193-Y210 HydrophobicContact CD1-CE2 3.8Å; L193-Y210 HydrophobicContact CD2-CD2 3.77Å; L193-Y210 HydrophobicContact CD2-CE2 3.94Å; L193-Y210 HydrophobicContact CD2-CG 4.43Å; L193-F212 HydrophobicContact CD2-CE2 3.61Å; L193-F212 HydrophobicContact CD2-CZ 4.24Å
194	F	88.9	Confident	88.1	Confident	3 Å²	3	58.9 Å²	58.9	1%	0.013	32%	0.32	C	S	.	.	H	α-helix	trans	-70.1	-23.3	-175.5	-76.5	-96.1	0	0	0	113	I190 A196 I197 V203 L206 L217 L221 L230 F244	I190-F194 HydrophobicContact CG2-CD2 3.76Å; I190-F194 HydrophobicContact CG2-CE2 4.04Å; I190-F194 VanDerWaalsContact O-CD2 3.31Å; I190-F194 WeakPolarHBondContact O-CD2 3.33Å; I190-F194 PolarHBondContact O-N 3.26Å; F194-A196 VanDerWaalsContact C-N 3.28Å; F194-A196 PolarHBondContact O-N 2.83Å; F194-I197 HydrophobicContact CD1-CD1 3.86Å; F194-I197 HydrophobicContact CE1-CD1 4.2Å; F194-I197 HydrophobicContact CG-CD1 4.19Å; F194-I197 PolarHBondContact O-N 3.02Å; F194-V203 HydrophobicContact CE1-CG2 4.29Å; F194-V203 HydrophobicContact CZ-CG1 4.32Å; F194-V203 HydrophobicContact CZ-CG2 4.44Å; F194-L206 HydrophobicContact CE1-CD1 4.1Å; F194-L206 HydrophobicContact CE2-CD1 4.29Å; F194-L206 HydrophobicContact CZ-CD1 3.79Å; F194-L217 HydrophobicContact CE2-CD1 3.9Å; F194-L217 HydrophobicContact CZ-CD1 4.39Å; F194-L221 HydrophobicContact CB-CD1 4.41Å; F194-L221 HydrophobicContact CD1-CD1 3.62Å; F194-L221 HydrophobicContact CD1-CD2 4.33Å; F194-L221 HydrophobicContact CD2-CD1 4.22Å; F194-L221 HydrophobicContact CE1-CD1 3.86Å; F194-L221 HydrophobicContact CE1-CD2 3.72Å; F194-L221 HydrophobicContact CE1-CG 4.48Å; F194-L221 HydrophobicContact CE2-CD1 4.43Å; F194-L221 HydrophobicContact CG-CD1 3.82Å; F194-L221 HydrophobicContact CZ-CD1 4.26Å; F194-L221 HydrophobicContact CZ-CD2 3.92Å; F194-L230 HydrophobicContact CB-CD1 3.72Å; F194-L230 HydrophobicContact CB-CD2 4.04Å; F194-L230 HydrophobicContact CG-CD1 4.48Å; F194-F244 HydrophobicContact CB-CE1 4.37Å; F194-F244 HydrophobicContact CD1-CB 3.97Å; F194-F244 AromaticContact CD1-CD1 3.63Å; F194-F244 HydrophobicContact CD1-CD1 3.63Å; F194-F244 AromaticContact CD1-CD2 3.97Å; F194-F244 HydrophobicContact CD1-CD2 3.97Å; F194-F244 HydrophobicContact CD1-CE1 4.03Å; F194-F244 HydrophobicContact CD1-CE2 4.35Å; F194-F244 AromaticContact CD1-CG 3.58Å; F194-F244 HydrophobicContact CD1-CG 3.58Å; F194-F244 HydrophobicContact CD1-CZ 4.37Å; F194-F244 HydrophobicContact CE1-CB 3.75Å; F194-F244 HydrophobicContact CE1-CD1 4.28Å; F194-F244 HydrophobicContact CE1-CD2 4.38Å; F194-F244 AromaticContact CE1-CG 3.9Å; F194-F244 HydrophobicContact CE1-CG 3.9Å
195	S	87.8	Confident	88.1	Confident	63 Å²	63	59.9 Å²	59.9	44%	0.441	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-26.4	170.5	-61.5	0	0	0	0	112.9	R191 L193 L230	R191-S195 WeakPolarHBondContact O-CB 3.5Å; R191-S195 PolarHBondContact O-N 3.39Å; R191-S195 PolarHBondContact O-OG 2.96Å; L193-S195 VanDerWaalsContact C-N 3.27Å; L193-S195 PolarHBondContact O-N 3.37Å; S195-L230 WeakPolarHBondContact OG-CD2 3.36Å
196	A	88.7	Confident	88.1	Confident	74 Å²	74	51.9 Å²	51.9	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-87	-13.5	-179.9	0	0	0	0	0	113	G192 L193 F194 T198	G192-A196 PolarHBondContact O-N 3.14Å; L193-A196 WeakPolarHBondContact O-CB 3.35Å; L193-A196 PolarHBondContact O-N 2.91Å; F194-A196 VanDerWaalsContact C-N 3.28Å; F194-A196 PolarHBondContact O-N 2.83Å; A196-T198 PolarHBondContact O-N 2.78Å
197	I	89.5	Confident	88.1	Confident	19 Å²	19	52.1 Å²	52.1	10%	0.097	30%	0.296	C	S	.	.			trans	-74.5	120.3	-179	-62.6	174.2	0	0	0	109.2	L193 F194 R199 T201 L206 F244 P246	L193-I197 WeakPolarHBondContact O-CG1 3.41Å; L193-I197 PolarHBondContact O-N 3.29Å; F194-I197 HydrophobicContact CD1-CD1 3.86Å; F194-I197 HydrophobicContact CE1-CD1 4.2Å; F194-I197 HydrophobicContact CG-CD1 4.19Å; F194-I197 PolarHBondContact O-N 3.02Å; I197-R199 WeakPolarHBondContact CG2-O 3.35Å; I197-T201 WeakPolarHBondContact CG2-OG1 3.45Å; I197-L206 HydrophobicContact CD1-CD1 3.59Å; I197-F244 HydrophobicContact CB-CD1 4.28Å; I197-F244 HydrophobicContact CB-CE1 4.39Å; I197-F244 HydrophobicContact CD1-CD1 4.3Å; I197-F244 HydrophobicContact CG2-CD1 4.13Å; I197-P246 HydrophobicContact CB-CG 4.32Å; I197-P246 HydrophobicContact CG2-CG 3.73Å; I197-P246 WeakPolarHBondContact O-CB 3.29Å; I197-P246 WeakPolarHBondContact O-CG 3.4Å
198	T	87.6	Confident	88	Confident	87 Å²	87	54.2 Å²	54.2	53%	0.534	32%	0.319	S	S	.	.			trans	-112	-2.4	179.3	53.9	0	0	0	0	112.9	A196 I248	A196-T198 PolarHBondContact O-N 2.78Å; T198-I248 HydrophobicContact CG2-CG2 4.45Å
199	R	87.8	Confident	87.8	Confident	185 Å²	185	59.6 Å²	59.6	70%	0.698	33%	0.334	S	S	*	.	S	Bend	trans	-133.1	152.2	-179.5	-62.4	-175.9	-177.9	-168.9	-0.4	110.7	I197 T201	I197-R199 WeakPolarHBondContact CG2-O 3.35Å; R199-T201 PolarHBondContact O-N 3.37Å; R199-T201 VanDerWaalsContact O-N 3.1Å; R199-T201 PolarHBondContact O-OG1 3.5Å
200	P	87.9	Confident	87.6	Confident	53 Å²	53	59.6 Å²	59.6	34%	0.344	34%	0.335	S	S	.	.			trans	-52.5	119.1	174	-25.5	35	0	0	0	110.7	V243 F244 V245 Y249	P200-V243 HydrophobicContact CB-CG1 3.92Å; P200-F244 WeakPolarHBondContact CA-O 3.24Å; P200-V245 HydrophobicContact CB-CG2 4.34Å; P200-V245 HydrophobicContact CG-CG1 4.49Å; P200-Y249 HydrophobicContact CG-CD1 3.58Å; P200-Y249 HydrophobicContact CG-CE1 3.27Å; P200-Y249 HydrophobicContact CG-CE2 4.35Å; P200-Y249 HydrophobicContact CG-CG 4.2Å
201	T	88.8	Confident	87.2	Confident	42 Å²	42	62.3 Å²	62.3	26%	0.258	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.8	-175	-54.8	0	0	0	0	110	I197 R199 V203 L206 F244	I197-T201 WeakPolarHBondContact CG2-OG1 3.45Å; R199-T201 PolarHBondContact O-N 3.37Å; R199-T201 VanDerWaalsContact O-N 3.1Å; R199-T201 PolarHBondContact O-OG1 3.5Å; T201-V203 PolarHBondContact O-N 2.69Å; T201-L206 HydrophobicContact CG2-CD1 4.06Å; T201-L206 HydrophobicContact CG2-CD2 4.07Å; T201-L206 HydrophobicContact CG2-CG 4.09Å; T201-F244 PolarHBondContact N-O 2.89Å; T201-F244 VanDerWaalsContact N-O 3.09Å; T201-F244 PolarHBondContact O-N 3.4Å
202	A	89.9	Confident	86.9	Confident	38 Å²	38	57.8 Å²	57.8	31%	0.314	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.7	176.4	0	0	0	0	0	110.5	N204 S205	A202-N204 VanDerWaalsContact C-N 3.29Å; A202-N204 PolarHBondContact O-N 2.78Å; A202-S205 PolarHBondContact O-N 3.25Å
203	V	88.1	Confident	86.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-38.1	-177.4	178.8	0	0	0	0	110.4	F194 T201 S205 L206 I207 L217 Y218 L221 A242 F244	F194-V203 HydrophobicContact CE1-CG2 4.29Å; F194-V203 HydrophobicContact CZ-CG1 4.32Å; F194-V203 HydrophobicContact CZ-CG2 4.44Å; T201-V203 PolarHBondContact O-N 2.69Å; V203-S205 PolarHBondContact O-N 3.2Å; V203-L206 WeakPolarHBondContact O-CA 3.43Å; V203-L206 VanDerWaalsContact O-CB 3.31Å; V203-L206 WeakPolarHBondContact O-CB 3.36Å; V203-L206 PolarHBondContact O-N 2.86Å; V203-I207 HydrophobicContact CG1-CD1 4.16Å; V203-I207 HydrophobicContact CG1-CG1 4.4Å; V203-I207 WeakPolarHBondContact O-CG1 3.42Å; V203-I207 PolarHBondContact O-N 3.13Å; V203-L217 HydrophobicContact CG1-CD2 3.56Å; V203-L217 HydrophobicContact CG1-CG 4.39Å; V203-Y218 HydrophobicContact CB-CE1 4.4Å; V203-Y218 HydrophobicContact CG1-CE1 3.89Å; V203-L221 HydrophobicContact CG2-CD2 4.32Å; V203-A242 HydrophobicContact CB-CB 4.05Å; V203-A242 HydrophobicContact CG2-CB 4.01Å; V203-A242 PolarHBondContact N-O 3.14Å; V203-F244 HydrophobicContact CG2-CB 4.35Å
204	N	86	Confident	85.8	Confident	28 Å²	28	61.5 Å²	61.5	15%	0.15	35%	0.351	C	S	.	.	H	α-helix	trans	-58.7	-41.8	177.1	-82.7	6.7	0	0	0	114.9	A202 L206 I207 S208 Y218 D240	A202-N204 VanDerWaalsContact C-N 3.29Å; A202-N204 PolarHBondContact O-N 2.78Å; N204-L206 PolarHBondContact O-N 3.43Å; N204-I207 WeakPolarHBondContact O-CB 3.34Å; N204-I207 PolarHBondContact O-N 3.38Å; N204-I207 VanDerWaalsContact O-N 3.14Å; N204-S208 PolarHBondContact O-N 3.03Å; N204-S208 PolarHBondContact O-OG 3.48Å; N204-Y218 PolarHBondContact OD1-OH 3.22Å; N204-D240 WeakPolarHBondContact ND2-CA 3.5Å; N204-D240 PolarHBondContact ND2-O 2.64Å; N204-D240 PolarHBondContact ND2-OD1 3.09Å
205	S	85.6	Confident	85.2	Confident	76 Å²	76	67.3 Å²	67.3	53%	0.531	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-30.1	176.6	-53.5	0	0	0	0	111.3	A202 V203 K209	A202-S205 PolarHBondContact O-N 3.25Å; V203-S205 PolarHBondContact O-N 3.2Å; S205-K209 WeakPolarHBondContact O-CB 3.37Å; S205-K209 PolarHBondContact O-N 3.38Å
206	L	86.1	Confident	84.7	Confident	16 Å²	16	65.2 Å²	65.2	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-78.1	-36.9	175.9	-56.1	174	0	0	0	111.9	L193 F194 I197 T201 V203 N204 K209 Y210	L193-L206 HydrophobicContact CD2-CB 4.21Å; L193-L206 HydrophobicContact CD2-CD1 4.22Å; L193-L206 HydrophobicContact CD2-CD2 4.29Å; L193-L206 HydrophobicContact CD2-CG 4.48Å; F194-L206 HydrophobicContact CE1-CD1 4.1Å; F194-L206 HydrophobicContact CE2-CD1 4.29Å; F194-L206 HydrophobicContact CZ-CD1 3.79Å; I197-L206 HydrophobicContact CD1-CD1 3.59Å; T201-L206 HydrophobicContact CG2-CD1 4.06Å; T201-L206 HydrophobicContact CG2-CD2 4.07Å; T201-L206 HydrophobicContact CG2-CG 4.09Å; V203-L206 WeakPolarHBondContact O-CA 3.43Å; V203-L206 VanDerWaalsContact O-CB 3.31Å; V203-L206 WeakPolarHBondContact O-CB 3.36Å; V203-L206 PolarHBondContact O-N 2.86Å; N204-L206 PolarHBondContact O-N 3.43Å; L206-K209 PolarHBondContact O-N 3.3Å; L206-Y210 HydrophobicContact CB-CD2 4.37Å; L206-Y210 HydrophobicContact CD2-CD2 4.35Å; L206-Y210 HydrophobicContact CD2-CE2 3.96Å; L206-Y210 WeakPolarHBondContact O-CB 3.41Å; L206-Y210 WeakPolarHBondContact O-CD2 3.39Å; L206-Y210 PolarHBondContact O-N 3.31Å
207	I	85.6	Confident	84.5	Confident	22 Å²	22	61.7 Å²	61.7	11%	0.113	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-56.1	174.1	-69.7	167.9	0	0	0	109.7	V203 N204 K209 G211 F212 E214 L217 Y218	V203-I207 HydrophobicContact CG1-CD1 4.16Å; V203-I207 HydrophobicContact CG1-CG1 4.4Å; V203-I207 WeakPolarHBondContact O-CG1 3.42Å; V203-I207 PolarHBondContact O-N 3.13Å; N204-I207 WeakPolarHBondContact O-CB 3.34Å; N204-I207 PolarHBondContact O-N 3.38Å; N204-I207 VanDerWaalsContact O-N 3.14Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 3.2Å; I207-G211 WeakPolarHBondContact O-CA 3.19Å; I207-G211 PolarHBondContact O-N 3.45Å; I207-F212 WeakPolarHBondContact CG2-O 3.23Å; I207-F212 PolarHBondContact O-N 3.25Å; I207-E214 HydrophobicContact CD1-CB 4.26Å; I207-E214 HydrophobicContact CD1-CG 3.93Å; I207-L217 HydrophobicContact CD1-CD2 3.81Å; I207-L217 HydrophobicContact CG1-CD2 3.28Å; I207-Y218 HydrophobicContact CD1-CE2 4.45Å
208	S	84.6	Confident	84.2	Confident	107 Å²	107	61.3 Å²	61.3	75%	0.748	33%	0.33	S	S	*	.	H	α-helix	trans	-65.5	-36.5	-177.8	-54.7	0	0	0	0	112.7	N204	N204-S208 PolarHBondContact O-N 3.03Å; N204-S208 PolarHBondContact O-OG 3.48Å
209	K	85.9	Confident	84	Confident	157 Å²	157	59.1 Å²	59.1	68%	0.683	32%	0.318	S	S	*	.	H	α-helix	trans	-74.4	-35.8	-177	-174.3	173.9	-177.2	178.4	0	113.6	S205 L206 I207	S205-K209 WeakPolarHBondContact O-CB 3.37Å; S205-K209 PolarHBondContact O-N 3.38Å; L206-K209 PolarHBondContact O-N 3.3Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 3.2Å
210	Y	84.1	Confident	83.8	Confident	97 Å²	97	50.6 Å²	50.6	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-110.1	1.5	-174.1	-65.4	-75.4	0	0	0	113.8	R189 L193 L206 F212	R189-Y210 PolarHBondContact NH2-O 3Å; L193-Y210 HydrophobicContact CD1-CD2 4.44Å; L193-Y210 HydrophobicContact CD1-CE2 3.8Å; L193-Y210 HydrophobicContact CD2-CD2 3.77Å; L193-Y210 HydrophobicContact CD2-CE2 3.94Å; L193-Y210 HydrophobicContact CD2-CG 4.43Å; L206-Y210 HydrophobicContact CB-CD2 4.37Å; L206-Y210 HydrophobicContact CD2-CD2 4.35Å; L206-Y210 HydrophobicContact CD2-CE2 3.96Å; L206-Y210 WeakPolarHBondContact O-CB 3.41Å; L206-Y210 WeakPolarHBondContact O-CD2 3.39Å; L206-Y210 PolarHBondContact O-N 3.31Å; Y210-F212 VanDerWaalsContact C-N 3.34Å; Y210-F212 HydrophobicContact CD2-CE2 4.27Å; Y210-F212 HydrophobicContact CG-CE2 4.01Å; Y210-F212 PolarHBondContact O-N 2.95Å
211	G	80.5	Confident	83.7	Confident	58 Å²	58	48.1 Å²	48.1	60%	0.598	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	38.4	177.7	0	0	0	0	0	112.7	I207	I207-G211 WeakPolarHBondContact O-CA 3.19Å; I207-G211 PolarHBondContact O-N 3.45Å
212	F	83.1	Confident	83.5	Confident	14 Å²	14	49.2 Å²	49.2	6%	0.061	27%	0.273	C	S	.	.			trans	-75.5	148	175.8	-69.1	-63.6	0	0	0	110.7	R189 I190 L193 I207 Y210 L217	R189-F212 HydrophobicContact CB-CE1 3.91Å; R189-F212 HydrophobicContact CB-CZ 4.11Å; I190-F212 HydrophobicContact CG1-CD1 4.13Å; I190-F212 HydrophobicContact CG1-CE1 3.86Å; I190-F212 HydrophobicContact CG1-CZ 4.25Å; L193-F212 HydrophobicContact CD2-CE2 3.61Å; L193-F212 HydrophobicContact CD2-CZ 4.24Å; I207-F212 WeakPolarHBondContact CG2-O 3.23Å; I207-F212 PolarHBondContact O-N 3.25Å; Y210-F212 VanDerWaalsContact C-N 3.34Å; Y210-F212 HydrophobicContact CD2-CE2 4.27Å; Y210-F212 HydrophobicContact CG-CE2 4.01Å; Y210-F212 PolarHBondContact O-N 2.95Å; F212-L217 HydrophobicContact CB-CB 4.45Å; F212-L217 HydrophobicContact CB-CD2 4.29Å; F212-L217 HydrophobicContact CG-CD1 4.5Å
213	Q	77.8	Confident	83.3	Confident	60 Å²	60	51.9 Å²	51.9	28%	0.28	28%	0.279	S	S	.	.			trans	-76.6	125.5	166.3	-75.2	179	-31.1	0	0	109.7	Q136 Q215 L216 L217	Q136-Q213 VanDerWaalsContact CD-NE2 3.33Å; Q213-Q215 PolarHBondContact O-N 3.26Å; Q213-L216 HydrophobicContact CB-CB 4.23Å; Q213-L216 PolarHBondContact O-N 2.93Å; Q213-L217 VanDerWaalsContact O-CB 3.28Å; Q213-L217 WeakPolarHBondContact O-CB 3.19Å; Q213-L217 PolarHBondContact O-N 3.35Å
214	E	78.1	Confident	83.2	Confident	93 Å²	93	52.2 Å²	52.2	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-48.1	-172.7	-174.8	172.9	-172.8	0	0	112.7	I207 L216 L217 Y218	I207-E214 HydrophobicContact CD1-CB 4.26Å; I207-E214 HydrophobicContact CD1-CG 3.93Å; E214-L216 PolarHBondContact O-N 3.3Å; E214-L217 PolarHBondContact O-N 2.93Å; E214-Y218 HydrophobicContact CG-CD2 3.78Å; E214-Y218 HydrophobicContact CG-CE2 3.36Å; E214-Y218 WeakPolarHBondContact O-CD2 3.43Å; E214-Y218 PolarHBondContact O-N 2.81Å; E214-Y218 VanDerWaalsContact O-N 3.12Å
215	Q	74.8	Confident	83.3	Confident	125 Å²	125	52.4 Å²	52.4	58%	0.584	28%	0.283	S	S	*	.	H	α-helix	trans	-63	-45.4	-178.5	-67	-170.7	-17.2	0	0	112.5	Q213 L217 S219	Q213-Q215 PolarHBondContact O-N 3.26Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-S219 PolarHBondContact O-N 2.66Å; Q215-S219 PolarHBondContact O-OG 3.35Å
216	L	77.5	Confident	83.3	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-35	177.6	-174.1	66.3	0	0	0	111.8	F182 H186 Q213 E214 S219 V220	F182-L216 HydrophobicContact CE1-CD2 4.49Å; H186-L216 HydrophobicContact CB-CD2 4.05Å; Q213-L216 HydrophobicContact CB-CB 4.23Å; Q213-L216 PolarHBondContact O-N 2.93Å; E214-L216 PolarHBondContact O-N 3.3Å; L216-S219 PolarHBondContact O-OG 3.44Å; L216-S219 VanDerWaalsContact O-OG 3.06Å; L216-V220 HydrophobicContact CD1-CG2 4.04Å; L216-V220 HydrophobicContact CG-CG2 4.25Å; L216-V220 VanDerWaalsContact O-CB 3.3Å; L216-V220 WeakPolarHBondContact O-CB 3.35Å; L216-V220 WeakPolarHBondContact O-CG2 3.13Å; L216-V220 PolarHBondContact O-N 3.04Å; L216-V220 VanDerWaalsContact O-N 3.09Å
217	L	84.4	Confident	83.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-49.2	179.3	178	66	0	0	0	111.3	I190 F194 V203 I207 F212 Q213 E214 Q215 L221	I190-L217 HydrophobicContact CB-CD1 4.27Å; I190-L217 HydrophobicContact CD1-CD1 3.56Å; I190-L217 HydrophobicContact CG1-CD1 3.51Å; I190-L217 HydrophobicContact CG2-CD1 3.76Å; F194-L217 HydrophobicContact CE2-CD1 3.9Å; F194-L217 HydrophobicContact CZ-CD1 4.39Å; V203-L217 HydrophobicContact CG1-CD2 3.56Å; V203-L217 HydrophobicContact CG1-CG 4.39Å; I207-L217 HydrophobicContact CD1-CD2 3.81Å; I207-L217 HydrophobicContact CG1-CD2 3.28Å; F212-L217 HydrophobicContact CB-CB 4.45Å; F212-L217 HydrophobicContact CB-CD2 4.29Å; F212-L217 HydrophobicContact CG-CD1 4.5Å; Q213-L217 VanDerWaalsContact O-CB 3.28Å; Q213-L217 WeakPolarHBondContact O-CB 3.19Å; Q213-L217 PolarHBondContact O-N 3.35Å; E214-L217 PolarHBondContact O-N 2.93Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; L217-L221 WeakPolarHBondContact O-CB 3.34Å; L217-L221 PolarHBondContact O-N 3.4Å
218	Y	84.3	Confident	83.3	Confident	10 Å²	10	59.4 Å²	59.4	4%	0.039	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-42.3	-177.8	-74.1	-60	0	0	0	112.2	V203 N204 I207 E214 L221 E222 R238 Q239 A242	V203-Y218 HydrophobicContact CB-CE1 4.4Å; V203-Y218 HydrophobicContact CG1-CE1 3.89Å; N204-Y218 PolarHBondContact OD1-OH 3.22Å; I207-Y218 HydrophobicContact CD1-CE2 4.45Å; E214-Y218 HydrophobicContact CG-CD2 3.78Å; E214-Y218 HydrophobicContact CG-CE2 3.36Å; E214-Y218 WeakPolarHBondContact O-CD2 3.43Å; E214-Y218 PolarHBondContact O-N 2.81Å; E214-Y218 VanDerWaalsContact O-N 3.12Å; Y218-L221 PolarHBondContact O-N 2.95Å; Y218-E222 WeakPolarHBondContact O-CB 3.19Å; Y218-E222 WeakPolarHBondContact O-CG 3.35Å; Y218-E222 PolarHBondContact O-N 3.34Å; Y218-R238 HydrophobicContact CD1-CB 4.47Å; Y218-R238 HydrophobicContact CD1-CG 4.43Å; Y218-R238 HydrophobicContact CD2-CB 4.25Å; Y218-R238 HydrophobicContact CG-CB 4.19Å; Y218-R238 HydrophobicContact CG-CG 4.14Å; Y218-Q239 PolarHBondContact OH-O 3.32Å; Y218-A242 HydrophobicContact CE1-CB 3.73Å
219	S	82.1	Confident	83.4	Confident	41 Å²	41	60.3 Å²	60.3	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-46.9	178	62.5	0	0	0	0	111.8	Q215 L216 E223	Q215-S219 PolarHBondContact O-N 2.66Å; Q215-S219 PolarHBondContact O-OG 3.35Å; L216-S219 PolarHBondContact O-OG 3.44Å; L216-S219 VanDerWaalsContact O-OG 3.06Å; S219-E223 WeakPolarHBondContact O-CB 3.44Å; S219-E223 PolarHBondContact O-N 2.95Å
220	V	84.4	Confident	83.5	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-38.2	178.6	173.5	0	0	0	0	111.6	K187 I190 L216 E223 L224	K187-V220 HydrophobicContact CB-CG1 4.03Å; K187-V220 HydrophobicContact CD-CG1 4.3Å; K187-V220 HydrophobicContact CG-CG1 3.75Å; I190-V220 HydrophobicContact CB-CG1 4.45Å; I190-V220 HydrophobicContact CD1-CB 4.05Å; I190-V220 HydrophobicContact CD1-CG1 3.95Å; I190-V220 HydrophobicContact CG2-CG1 4.3Å; L216-V220 HydrophobicContact CD1-CG2 4.04Å; L216-V220 HydrophobicContact CG-CG2 4.25Å; L216-V220 VanDerWaalsContact O-CB 3.3Å; L216-V220 WeakPolarHBondContact O-CB 3.35Å; L216-V220 WeakPolarHBondContact O-CG2 3.13Å; L216-V220 PolarHBondContact O-N 3.04Å; L216-V220 VanDerWaalsContact O-N 3.09Å; V220-E223 PolarHBondContact O-N 3.06Å; V220-L224 HydrophobicContact CG1-CD1 3.81Å; V220-L224 HydrophobicContact CG1-CG 4.22Å; V220-L224 WeakPolarHBondContact O-CB 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.24Å; V220-L224 PolarHBondContact O-N 2.86Å
221	L	85.8	Confident	83.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-45.3	178.4	-177.6	61.9	0	0	0	111.3	F194 V203 L217 Y218 L224 V225 L230 V234 F244	F194-L221 HydrophobicContact CB-CD1 4.41Å; F194-L221 HydrophobicContact CD1-CD1 3.62Å; F194-L221 HydrophobicContact CD1-CD2 4.33Å; F194-L221 HydrophobicContact CD2-CD1 4.22Å; F194-L221 HydrophobicContact CE1-CD1 3.86Å; F194-L221 HydrophobicContact CE1-CD2 3.72Å; F194-L221 HydrophobicContact CE1-CG 4.48Å; F194-L221 HydrophobicContact CE2-CD1 4.43Å; F194-L221 HydrophobicContact CG-CD1 3.82Å; F194-L221 HydrophobicContact CZ-CD1 4.26Å; F194-L221 HydrophobicContact CZ-CD2 3.92Å; V203-L221 HydrophobicContact CG2-CD2 4.32Å; L217-L221 WeakPolarHBondContact O-CB 3.34Å; L217-L221 PolarHBondContact O-N 3.4Å; Y218-L221 PolarHBondContact O-N 2.95Å; L221-L224 PolarHBondContact O-N 3.22Å; L221-V225 HydrophobicContact CD1-CG2 4.43Å; L221-V225 WeakPolarHBondContact O-CB 3.29Å; L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.23Å; L221-L230 HydrophobicContact CD1-CD1 3.76Å; L221-V234 HydrophobicContact CD2-CG2 3.64Å; L221-V234 HydrophobicContact CG-CG2 3.91Å; L221-F244 HydrophobicContact CD1-CD2 4.42Å; L221-F244 HydrophobicContact CD1-CE2 4.49Å
222	E	84.5	Confident	83.7	Confident	64 Å²	64	54.1 Å²	54.1	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-44.5	174.1	-76.4	173.8	-166.4	0	0	111.4	Y218 L224 V225 N226 R238	Y218-E222 WeakPolarHBondContact O-CB 3.19Å; Y218-E222 WeakPolarHBondContact O-CG 3.35Å; Y218-E222 PolarHBondContact O-N 3.34Å; E222-L224 VanDerWaalsContact C-N 3.35Å; E222-L224 PolarHBondContact O-N 3.23Å; E222-V225 PolarHBondContact O-N 3.22Å; E222-N226 VanDerWaalsContact O-CB 3.25Å; E222-N226 WeakPolarHBondContact O-CB 3.33Å; E222-N226 PolarHBondContact O-N 3.39Å; E222-N226 PolarHBondContact O-ND2 3.45Å; E222-R238 VanDerWaalsContact OE1-CG 3.27Å; E222-R238 WeakPolarHBondContact OE1-CG 3.08Å; E222-R238 IonicContact OE1-CZ 2.63Å; E222-R238 IonicContact OE1-NE 3.62Å; E222-R238 PolarHBondContact OE1-NE 3.38Å; E222-R238 IonicContact OE1-NH2 3.39Å; E222-R238 IonicContact OE2-CZ 2.7Å; E222-R238 IonicContact OE2-NE 3.06Å; E222-R238 PolarHBondContact OE2-NE 3.29Å; E222-R238 IonicContact OE2-NH2 2.66Å; E222-R238 PolarHBondContact OE2-NH2 3.43Å
223	E	85.1	Confident	83.8	Confident	94 Å²	94	57 Å²	57	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-45.1	175.7	-166.4	-152.5	148.5	0	0	111.6	K187 S219 V220 V225 S227	K187-E223 IonicContact NZ-OE1 3.88Å; K187-E223 PolarHBondContact NZ-OE1 3.21Å; K187-E223 IonicContact NZ-OE2 3.99Å; K187-E223 PolarHBondContact NZ-OE2 3.35Å; S219-E223 WeakPolarHBondContact O-CB 3.44Å; S219-E223 PolarHBondContact O-N 2.95Å; V220-E223 PolarHBondContact O-N 3.06Å; E223-V225 PolarHBondContact O-N 3.35Å; E223-S227 WeakPolarHBondContact O-CB 3.22Å; E223-S227 PolarHBondContact O-N 3.25Å; E223-S227 PolarHBondContact O-OG 3.15Å
224	L	87.1	Confident	84.2	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-70.1	-30.2	-179.1	-72.8	175	0	0	0	113.3	I190 R191 V220 L221 E222 S227 R229 L230	I190-L224 HydrophobicContact CG2-CD1 4.25Å; R191-L224 HydrophobicContact CB-CD1 4.07Å; V220-L224 HydrophobicContact CG1-CD1 3.81Å; V220-L224 HydrophobicContact CG1-CG 4.22Å; V220-L224 WeakPolarHBondContact O-CB 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.24Å; V220-L224 PolarHBondContact O-N 2.86Å; L221-L224 PolarHBondContact O-N 3.22Å; E222-L224 VanDerWaalsContact C-N 3.35Å; E222-L224 PolarHBondContact O-N 3.23Å; L224-S227 WeakPolarHBondContact CA-OG 3.37Å; L224-S227 PolarHBondContact O-OG 2.9Å; L224-R229 HydrophobicContact CD2-CB 4.27Å; L224-R229 HydrophobicContact CD2-CG 4.29Å; L224-R229 PolarHBondContact O-N 3.06Å; L224-R229 VanDerWaalsContact O-N 3.07Å; L224-L230 HydrophobicContact CB-CB 4.41Å; L224-L230 HydrophobicContact CB-CD1 3.61Å; L224-L230 HydrophobicContact CB-CG 3.9Å; L224-L230 HydrophobicContact CD1-CD1 3.87Å; L224-L230 HydrophobicContact CD1-CG 4.46Å; L224-L230 HydrophobicContact CG-CD1 4.39Å; L224-L230 PolarHBondContact O-N 3.06Å
225	V	87.6	Confident	84.3	Confident	32 Å²	32	55.8 Å²	55.8	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-75.7	-47.4	173.6	169.2	0	0	0	0	110.5	L221 E222 E223 S227 G228 L230 G232 F244	L221-V225 HydrophobicContact CD1-CG2 4.43Å; L221-V225 WeakPolarHBondContact O-CB 3.29Å; L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.23Å; E222-V225 PolarHBondContact O-N 3.22Å; E223-V225 PolarHBondContact O-N 3.35Å; V225-S227 VanDerWaalsContact C-N 3.32Å; V225-S227 PolarHBondContact O-N 3.25Å; V225-G228 WeakPolarHBondContact O-CA 3.15Å; V225-G228 PolarHBondContact O-N 3.35Å; V225-L230 HydrophobicContact CG2-CB 4.28Å; V225-G232 VanDerWaalsContact CG1-O 3.27Å; V225-G232 WeakPolarHBondContact CG1-O 3.36Å; V225-F244 HydrophobicContact CG2-CE2 4.2Å
226	N	86.8	Confident	84.2	Confident	137 Å²	137	51.7 Å²	51.7	73%	0.733	29%	0.288	S	S	*	.	H	α-helix	trans	-65.7	-34.8	180	-70.4	-20.3	0	0	0	112.4	E222 G228	E222-N226 VanDerWaalsContact O-CB 3.25Å; E222-N226 WeakPolarHBondContact O-CB 3.33Å; E222-N226 PolarHBondContact O-N 3.39Å; E222-N226 PolarHBondContact O-ND2 3.45Å; N226-G228 PolarHBondContact O-N 3.24Å
227	S	87.7	Confident	84	Confident	77 Å²	77	52.9 Å²	52.9	54%	0.538	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.2	172.1	59.5	0	0	0	0	113.7	E223 L224 V225 R229	E223-S227 WeakPolarHBondContact O-CB 3.22Å; E223-S227 PolarHBondContact O-N 3.25Å; E223-S227 PolarHBondContact O-OG 3.15Å; L224-S227 WeakPolarHBondContact CA-OG 3.37Å; L224-S227 PolarHBondContact O-OG 2.9Å; V225-S227 VanDerWaalsContact C-N 3.32Å; V225-S227 PolarHBondContact O-N 3.25Å; S227-R229 PolarHBondContact O-N 3.12Å
228	G	83.2	Confident	83.4	Confident	47 Å²	47	59.4 Å²	59.4	49%	0.485	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	8.1	-179.5	0	0	0	0	0	114.6	V225 N226	V225-G228 WeakPolarHBondContact O-CA 3.15Å; V225-G228 PolarHBondContact O-N 3.35Å; N226-G228 PolarHBondContact O-N 3.24Å
229	R	87.8	Confident	82.6	Confident	127 Å²	127	65.5 Å²	65.5	48%	0.479	36%	0.358	S	S	.	.	S	Bend	trans	-70.9	-36.9	177.6	179.5	58.2	-173.9	87.8	-4.6	111.8	L224 S227	L224-R229 HydrophobicContact CD2-CB 4.27Å; L224-R229 HydrophobicContact CD2-CG 4.29Å; L224-R229 PolarHBondContact O-N 3.06Å; L224-R229 VanDerWaalsContact O-N 3.07Å; S227-R229 PolarHBondContact O-N 3.12Å
230	L	87.6	Confident	81.9	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.026	38%	0.377	C	S	.	.	S	Bend	trans	-100.5	122.6	169.7	-70	176.9	0	0	0	108.9	F194 S195 L221 L224 V225 G232	F194-L230 HydrophobicContact CB-CD1 3.72Å; F194-L230 HydrophobicContact CB-CD2 4.04Å; F194-L230 HydrophobicContact CG-CD1 4.48Å; S195-L230 WeakPolarHBondContact OG-CD2 3.36Å; L221-L230 HydrophobicContact CD1-CD1 3.76Å; L224-L230 HydrophobicContact CB-CB 4.41Å; L224-L230 HydrophobicContact CB-CD1 3.61Å; L224-L230 HydrophobicContact CB-CG 3.9Å; L224-L230 HydrophobicContact CD1-CD1 3.87Å; L224-L230 HydrophobicContact CD1-CG 4.46Å; L224-L230 HydrophobicContact CG-CD1 4.39Å; L224-L230 PolarHBondContact O-N 3.06Å; V225-L230 HydrophobicContact CG2-CB 4.28Å; L230-G232 PolarHBondContact O-N 3.3Å
231	R	82.3	Confident	81.6	Confident	172 Å²	172	77.4 Å²	77.4	65%	0.649	41%	0.41	S	S	*	.			trans	-91.6	90.9	178.4	-69.9	-169.1	177.1	179.5	-1	109.7	D247	R231-D247 VanDerWaalsContact C-CG 3.48Å; R231-D247 HydrophobicContact CB-CB 4.02Å; R231-D247 WeakPolarHBondContact CB-OD2 3.4Å; R231-D247 PolarHBondContact O-N 3.26Å
232	G	85.5	Confident	81.5	Confident	5 Å²	5	77.4 Å²	77.4	5%	0.052	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	171	178.2	0	0	0	0	0	111.3	V225 L230 V245 D247	V225-G232 VanDerWaalsContact CG1-O 3.27Å; V225-G232 WeakPolarHBondContact CG1-O 3.36Å; L230-G232 PolarHBondContact O-N 3.3Å; G232-V245 CarbonylContact C-O 3.6Å; G232-V245 WeakPolarHBondContact CA-O 3.33Å; G232-D247 WeakPolarHBondContact CA-OD1 3.44Å; G232-D247 PolarHBondContact N-OD1 2.95Å
233	T	86.3	Confident	81.6	Confident	73 Å²	73	76.6 Å²	76.6	45%	0.448	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.3	179.3	54.6	0	0	0	0	110.4	V245	T233-V245 PolarHBondContact N-O 3.05Å; T233-V245 PolarHBondContact O-N 3.22Å
234	V	85.2	Confident	81.9	Confident	45 Å²	45	72.2 Å²	72.2	27%	0.273	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118	171.2	-176.3	0	0	0	0	108.3	L221 A242 F244	L221-V234 HydrophobicContact CD2-CG2 3.64Å; L221-V234 HydrophobicContact CG-CG2 3.91Å; V234-A242 HydrophobicContact CG1-CB 4.39Å; V234-F244 HydrophobicContact CG2-CD2 3.99Å
235	V	81.3	Confident	81.9	Confident	83 Å²	83	73 Å²	73	50%	0.503	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.4	177.7	-175.2	0	0	0	0	108	A242 V243 V245	V235-A242 CarbonylContact O-C 3.57Å; V235-A242 WeakPolarHBondContact O-CA 3.06Å; V235-V243 PolarHBondContact N-O 3.25Å; V235-V243 PolarHBondContact O-N 3.45Å; V235-V245 HydrophobicContact CG2-CG2 4.01Å
236	G	73.1	Confident	82.1	Confident	40 Å²	40	71.6 Å²	71.6	41%	0.412	39%	0.385	S	S	.	.	S	Bend	trans	101.9	5.1	-179.7	0	0	0	0	0	115.8
237	G	73	Confident	82.1	Confident	43 Å²	43	67.5 Å²	67.5	44%	0.443	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-157.8	174.8	0	0	0	0	0	114	Q239 A242	G237-Q239 PolarHBondContact O-N 3.04Å; G237-A242 VanDerWaalsContact O-CB 3.29Å; G237-A242 WeakPolarHBondContact O-CB 3.16Å
238	R	70.6	Confident	82.1	Confident	138 Å²	138	68.6 Å²	68.6	52%	0.521	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	40.2	175.6	-57.4	-173.1	-178.9	-179.4	-1.1	112.6	Y218 E222	Y218-R238 HydrophobicContact CD1-CB 4.47Å; Y218-R238 HydrophobicContact CD1-CG 4.43Å; Y218-R238 HydrophobicContact CD2-CB 4.25Å; Y218-R238 HydrophobicContact CG-CB 4.19Å; Y218-R238 HydrophobicContact CG-CG 4.14Å; E222-R238 VanDerWaalsContact OE1-CG 3.27Å; E222-R238 WeakPolarHBondContact OE1-CG 3.08Å; E222-R238 IonicContact OE1-CZ 2.63Å; E222-R238 IonicContact OE1-NE 3.62Å; E222-R238 PolarHBondContact OE1-NE 3.38Å; E222-R238 IonicContact OE1-NH2 3.39Å; E222-R238 IonicContact OE2-CZ 2.7Å; E222-R238 IonicContact OE2-NE 3.06Å; E222-R238 PolarHBondContact OE2-NE 3.29Å; E222-R238 IonicContact OE2-NH2 2.66Å; E222-R238 PolarHBondContact OE2-NH2 3.43Å
239	Q	68.9	Low	82.4	Confident	138 Å²	138	68.8 Å²	68.8	65%	0.645	35%	0.348	S	S	*	.	S	Bend	trans	-120.3	171.4	-176	-67.1	-170.9	-7.8	0	0	111.4	Y218 G237 K241 A242	Y218-Q239 PolarHBondContact OH-O 3.32Å; G237-Q239 PolarHBondContact O-N 3.04Å; Q239-K241 PolarHBondContact O-N 2.76Å; Q239-A242 VanDerWaalsContact O-CB 3.27Å; Q239-A242 WeakPolarHBondContact O-CB 3.32Å; Q239-A242 PolarHBondContact O-N 2.91Å
240	D	66.9	Low	82.3	Confident	129 Å²	129	64.8 Å²	64.8	69%	0.69	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-17.2	-178.6	-157.5	63	0	0	0	114.6	N204	N204-D240 WeakPolarHBondContact ND2-CA 3.5Å; N204-D240 PolarHBondContact ND2-O 2.64Å; N204-D240 PolarHBondContact ND2-OD1 3.09Å
241	K	76.6	Confident	82.3	Confident	169 Å²	169	71.5 Å²	71.5	74%	0.735	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	14.4	178.6	-62.4	-177	-179.9	179	0	113.8	Q239 V243	Q239-K241 PolarHBondContact O-N 2.76Å; K241-V243 PolarHBondContact O-N 3.14Å
242	A	84.1	Confident	82.6	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.008	36%	0.359	C	S	.	.			trans	-65.5	121.5	179.6	0	0	0	0	0	111.4	V203 Y218 V234 V235 G237 Q239	V203-A242 HydrophobicContact CB-CB 4.05Å; V203-A242 HydrophobicContact CG2-CB 4.01Å; V203-A242 PolarHBondContact N-O 3.14Å; Y218-A242 HydrophobicContact CE1-CB 3.73Å; V234-A242 HydrophobicContact CG1-CB 4.39Å; V235-A242 CarbonylContact O-C 3.57Å; V235-A242 WeakPolarHBondContact O-CA 3.06Å; G237-A242 VanDerWaalsContact O-CB 3.29Å; G237-A242 WeakPolarHBondContact O-CB 3.16Å; Q239-A242 VanDerWaalsContact O-CB 3.27Å; Q239-A242 WeakPolarHBondContact O-CB 3.32Å; Q239-A242 PolarHBondContact O-N 2.91Å
243	V	88.2	Confident	82.8	Confident	46 Å²	46	68.1 Å²	68.1	28%	0.279	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.8	175.5	-179.4	0	0	0	0	108.8	P200 V235 K241 V245	P200-V243 HydrophobicContact CB-CG1 3.92Å; V235-V243 PolarHBondContact N-O 3.25Å; V235-V243 PolarHBondContact O-N 3.45Å; K241-V243 PolarHBondContact O-N 3.14Å; V243-V245 HydrophobicContact CG1-CG2 4.24Å
244	F	89.6	Confident	82.9	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.009	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.2	170.8	179.6	-107	0	0	0	109.5	F194 I197 P200 T201 V203 L221 V225 V234 P246	F194-F244 HydrophobicContact CB-CE1 4.37Å; F194-F244 HydrophobicContact CD1-CB 3.97Å; F194-F244 AromaticContact CD1-CD1 3.63Å; F194-F244 HydrophobicContact CD1-CD1 3.63Å; F194-F244 AromaticContact CD1-CD2 3.97Å; F194-F244 HydrophobicContact CD1-CD2 3.97Å; F194-F244 HydrophobicContact CD1-CE1 4.03Å; F194-F244 HydrophobicContact CD1-CE2 4.35Å; F194-F244 AromaticContact CD1-CG 3.58Å; F194-F244 HydrophobicContact CD1-CG 3.58Å; F194-F244 HydrophobicContact CD1-CZ 4.37Å; F194-F244 HydrophobicContact CE1-CB 3.75Å; F194-F244 HydrophobicContact CE1-CD1 4.28Å; F194-F244 HydrophobicContact CE1-CD2 4.38Å; F194-F244 AromaticContact CE1-CG 3.9Å; F194-F244 HydrophobicContact CE1-CG 3.9Å; I197-F244 HydrophobicContact CB-CD1 4.28Å; I197-F244 HydrophobicContact CB-CE1 4.39Å; I197-F244 HydrophobicContact CD1-CD1 4.3Å; I197-F244 HydrophobicContact CG2-CD1 4.13Å; P200-F244 WeakPolarHBondContact CA-O 3.24Å; T201-F244 PolarHBondContact N-O 2.89Å; T201-F244 VanDerWaalsContact N-O 3.09Å; T201-F244 PolarHBondContact O-N 3.4Å; V203-F244 HydrophobicContact CG2-CB 4.35Å; L221-F244 HydrophobicContact CD1-CD2 4.42Å; L221-F244 HydrophobicContact CD1-CE2 4.49Å; V225-F244 HydrophobicContact CG2-CE2 4.2Å; V234-F244 HydrophobicContact CG2-CD2 3.99Å; F244-P246 HydrophobicContact CD1-CG 4.02Å; F244-P246 HydrophobicContact CE1-CB 4.26Å; F244-P246 HydrophobicContact CE1-CG 3.84Å; F244-P246 WeakPolarHBondContact O-CD 3.39Å
245	V	88.4	Confident	83.2	Confident	23 Å²	23	67.6 Å²	67.6	14%	0.139	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.1	177.3	-177	0	0	0	0	108.6	P200 G232 T233 V235 V243 Y249	P200-V245 HydrophobicContact CB-CG2 4.34Å; P200-V245 HydrophobicContact CG-CG1 4.49Å; G232-V245 CarbonylContact C-O 3.6Å; G232-V245 WeakPolarHBondContact CA-O 3.33Å; T233-V245 PolarHBondContact N-O 3.05Å; T233-V245 PolarHBondContact O-N 3.22Å; V235-V245 HydrophobicContact CG2-CG2 4.01Å; V243-V245 HydrophobicContact CG1-CG2 4.24Å; V245-Y249 HydrophobicContact CG1-CD1 4.22Å
246	P	90.4	Very high	83.8	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.019	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	142.9	178.3	-19.4	31.9	0	0	0	112.6	I197 F244 I248 Y249 S250	I197-P246 HydrophobicContact CB-CG 4.32Å; I197-P246 HydrophobicContact CG2-CG 3.73Å; I197-P246 WeakPolarHBondContact O-CB 3.29Å; I197-P246 WeakPolarHBondContact O-CG 3.4Å; F244-P246 HydrophobicContact CD1-CG 4.02Å; F244-P246 HydrophobicContact CE1-CB 4.26Å; F244-P246 HydrophobicContact CE1-CG 3.84Å; F244-P246 WeakPolarHBondContact O-CD 3.39Å; P246-I248 HydrophobicContact CB-CG2 3.98Å; P246-I248 PolarHBondContact O-N 2.79Å; P246-Y249 WeakPolarHBondContact O-CB 3.49Å; P246-Y249 PolarHBondContact O-N 2.87Å; P246-S250 PolarHBondContact O-N 2.84Å
247	D	87.6	Confident	84.6	Confident	51 Å²	51	66.4 Å²	66.4	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-60	-34.2	177.7	-78.6	1.5	0	0	0	112.2	R231 G232 Y249 S250 R251	R231-D247 VanDerWaalsContact C-CG 3.48Å; R231-D247 HydrophobicContact CB-CB 4.02Å; R231-D247 WeakPolarHBondContact CB-OD2 3.4Å; R231-D247 PolarHBondContact O-N 3.26Å; G232-D247 WeakPolarHBondContact CA-OD1 3.44Å; G232-D247 PolarHBondContact N-OD1 2.95Å; D247-Y249 PolarHBondContact O-N 3.38Å; D247-S250 PolarHBondContact O-N 3.23Å; D247-R251 WeakPolarHBondContact O-CB 3.39Å; D247-R251 VanDerWaalsContact O-CG 3.26Å; D247-R251 WeakPolarHBondContact O-CG 3.18Å; D247-R251 PolarHBondContact O-N 3.32Å
248	I	88	Confident	85.4	Confident	100 Å²	100	67.2 Å²	67.2	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-35.6	179.1	-166.4	163.3	0	0	0	111.5	T198 P246 T252	T198-I248 HydrophobicContact CG2-CG2 4.45Å; P246-I248 HydrophobicContact CB-CG2 3.98Å; P246-I248 PolarHBondContact O-N 2.79Å; I248-T252 VanDerWaalsContact O-CB 3.32Å; I248-T252 WeakPolarHBondContact O-CB 3.4Å; I248-T252 PolarHBondContact O-N 3.01Å; I248-T252 PolarHBondContact O-OG1 2.9Å
249	Y	88.5	Confident	86.4	Confident	51 Å²	51	63.8 Å²	63.8	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-51.2	176.2	178.4	-104.2	0	0	0	110.3	P200 V245 P246 D247 R251 T252 Q253 L275	P200-Y249 HydrophobicContact CG-CD1 3.58Å; P200-Y249 HydrophobicContact CG-CE1 3.27Å; P200-Y249 HydrophobicContact CG-CE2 4.35Å; P200-Y249 HydrophobicContact CG-CG 4.2Å; V245-Y249 HydrophobicContact CG1-CD1 4.22Å; P246-Y249 WeakPolarHBondContact O-CB 3.49Å; P246-Y249 PolarHBondContact O-N 2.87Å; D247-Y249 PolarHBondContact O-N 3.38Å; Y249-R251 VanDerWaalsContact C-N 3.31Å; Y249-R251 PolarHBondContact O-N 2.88Å; Y249-T252 PolarHBondContact O-N 3.09Å; Y249-T252 VanDerWaalsContact O-N 3.1Å; Y249-Q253 HydrophobicContact CD1-CG 4.46Å; Y249-Q253 HydrophobicContact CE1-CG 4.18Å; Y249-Q253 HydrophobicContact CE2-CG 4.47Å; Y249-Q253 WeakPolarHBondContact O-CG 3.47Å; Y249-Q253 PolarHBondContact O-N 3.01Å; Y249-Q253 PolarHBondContact OH-NE2 3.23Å; Y249-Q253 VanDerWaalsContact OH-NE2 3.12Å; Y249-L275 PolarHBondContact OH-O 2.79Å
250	S	86.8	Confident	87.4	Confident	43 Å²	43	58.9 Å²	58.9	30%	0.301	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-36.6	178.3	-59	0	0	0	0	112.8	P246 D247 S254	P246-S250 PolarHBondContact O-N 2.84Å; D247-S250 PolarHBondContact O-N 3.23Å; S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 3.17Å; S250-S254 PolarHBondContact O-OG 3.37Å
251	R	87.9	Confident	88.4	Confident	146 Å²	146	54.1 Å²	54.1	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-67.6	-40	173.1	-74.3	177	-172.6	-151.7	-0.2	112.3	D247 Y249 S254 T255	D247-R251 WeakPolarHBondContact O-CB 3.39Å; D247-R251 VanDerWaalsContact O-CG 3.26Å; D247-R251 WeakPolarHBondContact O-CG 3.18Å; D247-R251 PolarHBondContact O-N 3.32Å; Y249-R251 VanDerWaalsContact C-N 3.31Å; Y249-R251 PolarHBondContact O-N 2.88Å; R251-S254 WeakPolarHBondContact O-CB 3.3Å; R251-S254 PolarHBondContact O-N 3.1Å; R251-T255 WeakPolarHBondContact O-CB 3.5Å; R251-T255 PolarHBondContact O-N 3.28Å; R251-T255 PolarHBondContact O-OG1 3.48Å
252	T	88	Confident	89	Confident	86 Å²	86	57 Å²	57	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-67	-46	178.7	-56	0	0	0	0	110.7	I248 Y249 S254 T255 W256	I248-T252 VanDerWaalsContact O-CB 3.32Å; I248-T252 WeakPolarHBondContact O-CB 3.4Å; I248-T252 PolarHBondContact O-N 3.01Å; I248-T252 PolarHBondContact O-OG1 2.9Å; Y249-T252 PolarHBondContact O-N 3.09Å; Y249-T252 VanDerWaalsContact O-N 3.1Å; T252-S254 VanDerWaalsContact C-N 3.34Å; T252-S254 PolarHBondContact O-N 3.19Å; T252-T255 PolarHBondContact O-N 3.27Å; T252-W256 WeakPolarHBondContact O-CB 3.43Å; T252-W256 PolarHBondContact O-N 3.13Å
253	Q	89.8	Confident	89.2	Confident	21 Å²	21	64.6 Å²	64.6	10%	0.098	32%	0.316	C	S	.	.	H	α-helix	trans	-54.6	-52.5	171.9	-71.5	177.3	-39.6	0	0	110.7	Y249 T255 W256 V257 L275	Y249-Q253 HydrophobicContact CD1-CG 4.46Å; Y249-Q253 HydrophobicContact CE1-CG 4.18Å; Y249-Q253 HydrophobicContact CE2-CG 4.47Å; Y249-Q253 WeakPolarHBondContact O-CG 3.47Å; Y249-Q253 PolarHBondContact O-N 3.01Å; Y249-Q253 PolarHBondContact OH-NE2 3.23Å; Y249-Q253 VanDerWaalsContact OH-NE2 3.12Å; Q253-T255 PolarHBondContact O-N 2.97Å; Q253-W256 PolarHBondContact O-N 3.41Å; Q253-V257 VanDerWaalsContact O-CG2 3.29Å; Q253-V257 WeakPolarHBondContact O-CG2 3.43Å; Q253-V257 PolarHBondContact O-N 3.08Å; Q253-L275 PolarHBondContact NE2-O 2.76Å
254	S	88.8	Confident	89.1	Confident	22 Å²	22	65.5 Å²	65.5	15%	0.154	32%	0.319	C	S	.	.	H	α-helix	trans	-54.8	-48.7	178.8	-71.4	0	0	0	0	113	S250 R251 T252 V257 D258 Y283 R287	S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 3.17Å; S250-S254 PolarHBondContact O-OG 3.37Å; R251-S254 WeakPolarHBondContact O-CB 3.3Å; R251-S254 PolarHBondContact O-N 3.1Å; T252-S254 VanDerWaalsContact C-N 3.34Å; T252-S254 PolarHBondContact O-N 3.19Å; S254-V257 PolarHBondContact O-N 3.47Å; S254-D258 VanDerWaalsContact O-CG 3.23Å; S254-D258 PolarHBondContact O-N 3.29Å; S254-Y283 PolarHBondContact OG-OH 3.22Å; S254-R287 VanDerWaalsContact CB-NH2 3.3Å; S254-R287 PolarHBondContact OG-NH1 3.34Å
255	T	91.3	Very high	88.9	Confident	84 Å²	84	66.6 Å²	66.6	52%	0.515	33%	0.331	S	S	.	.	H	α-helix	trans	-68	-38.7	-178.1	-53.6	0	0	0	0	111.3	R251 T252 Q253 S259	R251-T255 WeakPolarHBondContact O-CB 3.5Å; R251-T255 PolarHBondContact O-N 3.28Å; R251-T255 PolarHBondContact O-OG1 3.48Å; T252-T255 PolarHBondContact O-N 3.27Å; Q253-T255 PolarHBondContact O-N 2.97Å; T255-S259 VanDerWaalsContact O-CB 3.27Å; T255-S259 WeakPolarHBondContact O-CB 3.49Å; T255-S259 PolarHBondContact O-N 3.28Å; T255-S259 PolarHBondContact O-OG 3.49Å
256	W	92.1	Very high	89	Confident	98 Å²	98	67 Å²	67	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-47.1	174.2	-176.6	95.1	0	0	0	110.8	T252 Q253 D258 S259 F260 A271 L275	T252-W256 WeakPolarHBondContact O-CB 3.43Å; T252-W256 PolarHBondContact O-N 3.13Å; Q253-W256 PolarHBondContact O-N 3.41Å; W256-D258 PolarHBondContact O-N 3.46Å; W256-S259 PolarHBondContact O-N 2.84Å; W256-F260 HydrophobicContact CD2-CB 4.47Å; W256-F260 HydrophobicContact CE3-CB 4.24Å; W256-F260 HydrophobicContact CH2-CB 4.23Å; W256-F260 AromaticContact CH2-CD2 3.72Å; W256-F260 HydrophobicContact CH2-CD2 3.72Å; W256-F260 HydrophobicContact CH2-CE2 4.19Å; W256-F260 AromaticContact CH2-CG 3.9Å; W256-F260 HydrophobicContact CH2-CG 3.9Å; W256-F260 HydrophobicContact CZ2-CB 4.45Å; W256-F260 AromaticContact CZ2-CD2 3.67Å; W256-F260 HydrophobicContact CZ2-CD2 3.67Å; W256-F260 HydrophobicContact CZ2-CE2 4.21Å; W256-F260 HydrophobicContact CZ2-CG 4.22Å; W256-F260 HydrophobicContact CZ3-CB 4.11Å; W256-F260 HydrophobicContact CZ3-CD2 4.43Å; W256-F260 HydrophobicContact CZ3-CG 4.19Å; W256-F260 VanDerWaalsContact O-CB 3.26Å; W256-F260 WeakPolarHBondContact O-CB 3.32Å; W256-F260 PolarHBondContact O-N 2.87Å; W256-A271 HydrophobicContact CH2-CB 3.97Å; W256-L275 HydrophobicContact CD2-CD1 3.66Å; W256-L275 HydrophobicContact CD2-CD2 4.37Å; W256-L275 HydrophobicContact CE3-CD1 3.1Å; W256-L275 HydrophobicContact CE3-CG 4.41Å; W256-L275 HydrophobicContact CH2-CD1 3.81Å; W256-L275 HydrophobicContact CZ2-CD1 4.27Å; W256-L275 HydrophobicContact CZ3-CD1 3.2Å
257	V	90.8	Very high	89	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-44.9	179.9	172.5	0	0	0	0	111.1	Q253 S254 F261 L267 L272 Y283 Y288	Q253-V257 VanDerWaalsContact O-CG2 3.29Å; Q253-V257 WeakPolarHBondContact O-CG2 3.43Å; Q253-V257 PolarHBondContact O-N 3.08Å; S254-V257 PolarHBondContact O-N 3.47Å; V257-F261 VanDerWaalsContact O-CB 3.3Å; V257-F261 WeakPolarHBondContact O-CB 3.42Å; V257-F261 PolarHBondContact O-N 3.04Å; V257-L267 HydrophobicContact CG1-CD1 3.89Å; V257-L267 HydrophobicContact CG1-CD2 4.01Å; V257-L272 HydrophobicContact CG1-CD2 4.33Å; V257-L272 HydrophobicContact CG2-CD2 3.37Å; V257-Y283 HydrophobicContact CG1-CE1 4.33Å; V257-Y283 HydrophobicContact CG2-CE1 4.43Å; V257-Y288 HydrophobicContact CG1-CE2 4.31Å
258	D	90.1	Very high	89.1	Confident	61 Å²	61	66.3 Å²	66.3	33%	0.326	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-42.9	177.8	-66.1	-16.1	0	0	0	111.8	S254 W256 R262 R287 Y288	S254-D258 VanDerWaalsContact O-CG 3.23Å; S254-D258 PolarHBondContact O-N 3.29Å; W256-D258 PolarHBondContact O-N 3.46Å; D258-R262 WeakPolarHBondContact O-CB 3.2Å; D258-R262 PolarHBondContact O-N 3.34Å; D258-R287 VanDerWaalsContact CG-NH2 3.29Å; D258-R287 IonicContact OD1-CZ 3.89Å; D258-R287 IonicContact OD1-NE 3.62Å; D258-R287 PolarHBondContact OD1-NE 3.27Å; D258-R287 IonicContact OD1-NH2 3.3Å; D258-R287 PolarHBondContact OD1-NH2 3.44Å; D258-R287 IonicContact OD2-CZ 2.74Å; D258-R287 IonicContact OD2-NE 2.76Å; D258-R287 IonicContact OD2-NH2 3.75Å; D258-R287 PolarHBondContact OD2-NH2 2.9Å; D258-Y288 PolarHBondContact OD1-OH 2.92Å
259	S	90.7	Very high	89.2	Confident	65 Å²	65	63 Å²	63	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-44.2	-179.1	-56.8	0	0	0	0	111.4	T255 W256 R262 Q263	T255-S259 VanDerWaalsContact O-CB 3.27Å; T255-S259 WeakPolarHBondContact O-CB 3.49Å; T255-S259 PolarHBondContact O-N 3.28Å; T255-S259 PolarHBondContact O-OG 3.49Å; W256-S259 PolarHBondContact O-N 2.84Å; S259-R262 PolarHBondContact O-N 2.88Å; S259-Q263 WeakPolarHBondContact O-CB 3.29Å; S259-Q263 PolarHBondContact O-N 3.34Å
260	F	89.9	Confident	89.2	Confident	36 Å²	36	64.8 Å²	64.8	16%	0.158	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-48.9	178	-172.5	-81.3	0	0	0	111.1	W256 R262 Q263 N264 Y266 L267	W256-F260 HydrophobicContact CD2-CB 4.47Å; W256-F260 HydrophobicContact CE3-CB 4.24Å; W256-F260 HydrophobicContact CH2-CB 4.23Å; W256-F260 AromaticContact CH2-CD2 3.72Å; W256-F260 HydrophobicContact CH2-CD2 3.72Å; W256-F260 HydrophobicContact CH2-CE2 4.19Å; W256-F260 AromaticContact CH2-CG 3.9Å; W256-F260 HydrophobicContact CH2-CG 3.9Å; W256-F260 HydrophobicContact CZ2-CB 4.45Å; W256-F260 AromaticContact CZ2-CD2 3.67Å; W256-F260 HydrophobicContact CZ2-CD2 3.67Å; W256-F260 HydrophobicContact CZ2-CE2 4.21Å; W256-F260 HydrophobicContact CZ2-CG 4.22Å; W256-F260 HydrophobicContact CZ3-CB 4.11Å; W256-F260 HydrophobicContact CZ3-CD2 4.43Å; W256-F260 HydrophobicContact CZ3-CG 4.19Å; W256-F260 VanDerWaalsContact O-CB 3.26Å; W256-F260 WeakPolarHBondContact O-CB 3.32Å; W256-F260 PolarHBondContact O-N 2.87Å; F260-R262 VanDerWaalsContact C-N 3.33Å; F260-R262 PolarHBondContact O-N 2.69Å; F260-Q263 PolarHBondContact O-N 3.32Å; F260-N264 HydrophobicContact CD1-CB 4.43Å; F260-N264 WeakPolarHBondContact CD2-ND2 3.46Å; F260-N264 HydrophobicContact CE1-CB 4.18Å; F260-N264 WeakPolarHBondContact CE2-ND2 3.4Å; F260-N264 VanDerWaalsContact CZ-ND2 3.29Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.5Å; F260-N264 WeakPolarHBondContact O-CB 3.48Å; F260-N264 PolarHBondContact O-N 3.5Å; F260-N264 PolarHBondContact O-ND2 3.42Å; F260-Y266 VanDerWaalsContact CD1-O 3.31Å; F260-Y266 WeakPolarHBondContact CD1-O 3.39Å; F260-Y266 HydrophobicContact CE1-CD2 4.32Å; F260-Y266 HydrophobicContact CE1-CE2 4.03Å; F260-Y266 VanDerWaalsContact CE1-O 3.27Å; F260-Y266 WeakPolarHBondContact CE1-O 3.37Å; F260-Y266 HydrophobicContact CZ-CE2 4.12Å; F260-L267 HydrophobicContact CB-CD2 4.45Å; F260-L267 HydrophobicContact CD1-CD2 3.74Å; F260-L267 HydrophobicContact CG-CD2 4.46Å
261	F	89.6	Confident	89.2	Confident	29 Å²	29	63.1 Å²	63.1	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-40.4	179.4	-177.8	-111.3	0	0	0	111.9	V257 Q263 G265 L267 Y288 L293	V257-F261 VanDerWaalsContact O-CB 3.3Å; V257-F261 WeakPolarHBondContact O-CB 3.42Å; V257-F261 PolarHBondContact O-N 3.04Å; F261-Q263 VanDerWaalsContact C-N 3.32Å; F261-Q263 PolarHBondContact O-N 3.24Å; F261-G265 VanDerWaalsContact O-CA 3.3Å; F261-G265 WeakPolarHBondContact O-CA 3.44Å; F261-G265 PolarHBondContact O-N 3.13Å; F261-L267 HydrophobicContact CB-CD1 4.01Å; F261-L267 HydrophobicContact CB-CD2 4.13Å; F261-L267 HydrophobicContact CB-CG 3.95Å; F261-L267 HydrophobicContact CD2-CD1 4.02Å; F261-L267 HydrophobicContact CD2-CG 3.92Å; F261-L267 HydrophobicContact CG-CD1 4.18Å; F261-L267 HydrophobicContact CG-CG 4.3Å; F261-Y288 AromaticContact CD1-CE1 3.91Å; F261-Y288 HydrophobicContact CD1-CE1 3.91Å; F261-Y288 AromaticContact CD1-CZ 3.89Å; F261-Y288 HydrophobicContact CE1-CE1 4.34Å; F261-L293 HydrophobicContact CE1-CD2 4.25Å; F261-L293 HydrophobicContact CE2-CD2 3.71Å; F261-L293 HydrophobicContact CZ-CD2 3.34Å
262	R	87.8	Confident	89.1	Confident	228 Å²	228	56.1 Å²	56.1	86%	0.86	28%	0.282	S	S	*	.	H	α-helix	trans	-66.2	-33.6	178.1	-172.5	176.4	-174.9	175.2	1.9	113	D258 S259 F260	D258-R262 WeakPolarHBondContact O-CB 3.2Å; D258-R262 PolarHBondContact O-N 3.34Å; S259-R262 PolarHBondContact O-N 2.88Å; F260-R262 VanDerWaalsContact C-N 3.33Å; F260-R262 PolarHBondContact O-N 2.69Å
263	Q	87.8	Confident	89.1	Confident	162 Å²	162	54.9 Å²	54.9	76%	0.757	28%	0.277	S	S	*	.	H	α-helix	trans	-83.2	-40.2	-178	-170.8	171.8	7.7	0	0	112.5	S259 F260 F261	S259-Q263 WeakPolarHBondContact O-CB 3.29Å; S259-Q263 PolarHBondContact O-N 3.34Å; F260-Q263 PolarHBondContact O-N 3.32Å; F261-Q263 VanDerWaalsContact C-N 3.32Å; F261-Q263 PolarHBondContact O-N 3.24Å
264	N	87.6	Confident	88.9	Confident	65 Å²	65	61.9 Å²	61.9	35%	0.348	30%	0.303	S	S	.	.	H	α-helix	trans	-106.4	-20.7	-169.9	-60.4	-37.2	0	0	0	113.7	F260 Y266	F260-N264 HydrophobicContact CD1-CB 4.43Å; F260-N264 WeakPolarHBondContact CD2-ND2 3.46Å; F260-N264 HydrophobicContact CE1-CB 4.18Å; F260-N264 WeakPolarHBondContact CE2-ND2 3.4Å; F260-N264 VanDerWaalsContact CZ-ND2 3.29Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.5Å; F260-N264 WeakPolarHBondContact O-CB 3.48Å; F260-N264 PolarHBondContact O-N 3.5Å; F260-N264 PolarHBondContact O-ND2 3.42Å; N264-Y266 VanDerWaalsContact C-N 3.26Å; N264-Y266 HydrophobicContact CB-CD1 3.81Å; N264-Y266 HydrophobicContact CB-CE1 3.62Å; N264-Y266 WeakPolarHBondContact O-CD1 3.41Å; N264-Y266 PolarHBondContact O-N 3.48Å
265	G	85.9	Confident	88.7	Confident	25 Å²	25	63 Å²	63	26%	0.258	31%	0.306	S	S	.	.	S	Bend	trans	76.6	4.4	-179.5	0	0	0	0	0	115.3	F261 G302	F261-G265 VanDerWaalsContact O-CA 3.3Å; F261-G265 WeakPolarHBondContact O-CA 3.44Å; F261-G265 PolarHBondContact O-N 3.13Å; G265-G302 WeakPolarHBondContact O-CA 3.2Å; G265-G302 PolarHBondContact O-N 2.88Å
266	Y	89.8	Confident	88.2	Confident	31 Å²	31	60.9 Å²	60.9	12%	0.122	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.4	175.8	73.4	-85.7	0	0	0	111.4	F260 N264 E268 C300 P330 S332	F260-Y266 VanDerWaalsContact CD1-O 3.31Å; F260-Y266 WeakPolarHBondContact CD1-O 3.39Å; F260-Y266 HydrophobicContact CE1-CD2 4.32Å; F260-Y266 HydrophobicContact CE1-CE2 4.03Å; F260-Y266 VanDerWaalsContact CE1-O 3.27Å; F260-Y266 WeakPolarHBondContact CE1-O 3.37Å; F260-Y266 HydrophobicContact CZ-CE2 4.12Å; N264-Y266 VanDerWaalsContact C-N 3.26Å; N264-Y266 HydrophobicContact CB-CD1 3.81Å; N264-Y266 HydrophobicContact CB-CE1 3.62Å; N264-Y266 WeakPolarHBondContact O-CD1 3.41Å; N264-Y266 PolarHBondContact O-N 3.48Å; Y266-E268 HydrophobicContact CD2-CG 4.42Å; Y266-E268 HydrophobicContact CE2-CG 4Å; Y266-C300 CarbonylContact C-O 3.44Å; Y266-C300 VanDerWaalsContact CA-O 3.28Å; Y266-C300 WeakPolarHBondContact CA-O 3.44Å; Y266-C300 WeakPolarHBondContact CB-O 3.28Å; Y266-P330 HydrophobicContact CD1-CB 4.06Å; Y266-P330 HydrophobicContact CD1-CG 3.4Å; Y266-P330 HydrophobicContact CE1-CB 3.5Å; Y266-P330 VanDerWaalsContact CE1-CB 3.5Å; Y266-P330 HydrophobicContact CE1-CG 3.26Å; Y266-P330 HydrophobicContact CE2-CB 4.14Å; Y266-P330 HydrophobicContact CE2-CG 4.48Å; Y266-P330 HydrophobicContact CG-CG 4.08Å; Y266-S332 WeakPolarHBondContact CE2-OG 3.31Å; Y266-S332 PolarHBondContact OH-OG 3.18Å
267	L	89.9	Confident	87.9	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.1	174.5	-73.4	165.2	0	0	0	111.1	V257 F260 F261 I284 Y288 A299 C300	V257-L267 HydrophobicContact CG1-CD1 3.89Å; V257-L267 HydrophobicContact CG1-CD2 4.01Å; F260-L267 HydrophobicContact CB-CD2 4.45Å; F260-L267 HydrophobicContact CD1-CD2 3.74Å; F260-L267 HydrophobicContact CG-CD2 4.46Å; F261-L267 HydrophobicContact CB-CD1 4.01Å; F261-L267 HydrophobicContact CB-CD2 4.13Å; F261-L267 HydrophobicContact CB-CG 3.95Å; F261-L267 HydrophobicContact CD2-CD1 4.02Å; F261-L267 HydrophobicContact CD2-CG 3.92Å; F261-L267 HydrophobicContact CG-CD1 4.18Å; F261-L267 HydrophobicContact CG-CG 4.3Å; L267-I284 HydrophobicContact CD1-CD1 4.36Å; L267-I284 HydrophobicContact CD1-CG1 4.29Å; L267-Y288 HydrophobicContact CD1-CE2 4.01Å; L267-A299 CarbonylContact O-C 3.44Å; L267-A299 VanDerWaalsContact O-CA 3.25Å; L267-A299 WeakPolarHBondContact O-CA 3.38Å; L267-A299 WeakPolarHBondContact O-CB 3.31Å; L267-C300 PolarHBondContact N-O 3.19Å; L267-C300 PolarHBondContact O-N 2.88Å
268	E	90.9	Very high	87.3	Confident	39 Å²	39	62.8 Å²	62.8	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.6	174	-66.8	163.3	-148.5	0	0	111.6	Y266 D270 A271 L272 R274 S332	Y266-E268 HydrophobicContact CD2-CG 4.42Å; Y266-E268 HydrophobicContact CE2-CG 4Å; E268-D270 VanDerWaalsContact C-N 3.34Å; E268-A271 HydrophobicContact CB-CB 3.83Å; E268-A271 PolarHBondContact O-N 3.21Å; E268-L272 WeakPolarHBondContact O-CG 3.48Å; E268-L272 PolarHBondContact O-N 2.78Å; E268-R274 IonicContact OE2-NH2 3.74Å; E268-S332 VanDerWaalsContact CD-CB 3.47Å; E268-S332 WeakPolarHBondContact OE1-CB 3.49Å; E268-S332 PolarHBondContact OE1-OG 3.49Å
269	F	89.6	Confident	87	Confident	30 Å²	30	63.9 Å²	63.9	13%	0.132	33%	0.332	C	S	.	.	H	α-helix	trans	-70.5	-31.4	174.9	-57	-40.2	0	0	0	112.5	L272 S273 A280 V281 I284 F295 L296 K297 A298 A299 C300	F269-L272 PolarHBondContact O-N 3.37Å; F269-S273 WeakPolarHBondContact O-CB 3.2Å; F269-S273 PolarHBondContact O-N 3.29Å; F269-S273 PolarHBondContact O-OG 2.84Å; F269-A280 HydrophobicContact CB-CB 4.14Å; F269-A280 HydrophobicContact CD1-CB 3.8Å; F269-A280 HydrophobicContact CG-CB 4.3Å; F269-V281 HydrophobicContact CE1-CG2 4.16Å; F269-V281 HydrophobicContact CZ-CG2 4.17Å; F269-I284 HydrophobicContact CD1-CD1 4.12Å; F269-I284 HydrophobicContact CE1-CD1 3.82Å; F269-F295 HydrophobicContact CE1-CD1 4.35Å; F269-F295 HydrophobicContact CZ-CD1 4.05Å; F269-L296 WeakPolarHBondContact CE2-O 3.49Å; F269-K297 WeakPolarHBondContact CD2-O 3.45Å; F269-A298 VanDerWaalsContact CD2-O 3.28Å; F269-A298 WeakPolarHBondContact CD2-O 3.45Å; F269-A298 WeakPolarHBondContact CG-O 3.14Å; F269-A298 PolarHBondContact N-O 2.68Å; F269-A299 WeakPolarHBondContact CZ-O 3.27Å; F269-C300 HydrophobicContact CE1-CB 4.07Å; F269-C300 HydrophobicContact CZ-CB 4.13Å
270	D	87.2	Confident	86.8	Confident	88 Å²	88	61.1 Å²	61.1	47%	0.471	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-41.1	175.1	-172.5	49.3	0	0	0	111.7	E268 L272 S273 R274	E268-D270 VanDerWaalsContact C-N 3.34Å; D270-L272 VanDerWaalsContact C-N 3.28Å; D270-L272 PolarHBondContact O-N 2.95Å; D270-S273 WeakPolarHBondContact O-CB 3.23Å; D270-S273 PolarHBondContact O-N 2.74Å; D270-S273 VanDerWaalsContact O-N 3.11Å; D270-R274 WeakPolarHBondContact O-CG 3.2Å; D270-R274 PolarHBondContact O-N 2.93Å; D270-R274 IonicContact OD2-CZ 2.7Å; D270-R274 IonicContact OD2-NE 3.15Å; D270-R274 IonicContact OD2-NH1 2.71Å; D270-R274 PolarHBondContact OD2-NH1 3.36Å; D270-R274 IonicContact OD2-NH2 2.72Å
271	A	86.6	Confident	86.6	Confident	8 Å²	8	61.7 Å²	61.7	7%	0.066	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-40.6	174.2	0	0	0	0	0	112.2	W256 E268 R274 L275	W256-A271 HydrophobicContact CH2-CB 3.97Å; E268-A271 HydrophobicContact CB-CB 3.83Å; E268-A271 PolarHBondContact O-N 3.21Å; A271-R274 PolarHBondContact O-N 3.34Å; A271-L275 WeakPolarHBondContact O-CB 3.36Å; A271-L275 WeakPolarHBondContact O-CD1 3.48Å; A271-L275 WeakPolarHBondContact O-CG 3.24Å; A271-L275 PolarHBondContact O-N 3.43Å
272	L	87.2	Confident	86.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-38.5	174.9	-66.8	172.3	0	0	0	112.3	V257 E268 F269 D270 L275 G276 I277 A280 I284	V257-L272 HydrophobicContact CG1-CD2 4.33Å; V257-L272 HydrophobicContact CG2-CD2 3.37Å; E268-L272 WeakPolarHBondContact O-CG 3.48Å; E268-L272 PolarHBondContact O-N 2.78Å; F269-L272 PolarHBondContact O-N 3.37Å; D270-L272 VanDerWaalsContact C-N 3.28Å; D270-L272 PolarHBondContact O-N 2.95Å; L272-L275 WeakPolarHBondContact O-CB 3.29Å; L272-L275 PolarHBondContact O-N 3.43Å; L272-G276 PolarHBondContact O-N 2.77Å; L272-I277 HydrophobicContact CD2-CD1 4.1Å; L272-I277 WeakPolarHBondContact O-CB 3.35Å; L272-I277 PolarHBondContact O-N 3.28Å; L272-A280 HydrophobicContact CB-CB 3.88Å; L272-A280 HydrophobicContact CD1-CB 3.71Å; L272-A280 HydrophobicContact CG-CB 4.45Å; L272-I284 HydrophobicContact CD1-CD1 3.39Å; L272-I284 HydrophobicContact CD1-CG1 3.9Å
273	S	86.7	Confident	86.4	Confident	59 Å²	59	55 Å²	55	41%	0.413	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-45.1	176	-59	0	0	0	0	111.2	F269 D270 L275 G276	F269-S273 WeakPolarHBondContact O-CB 3.2Å; F269-S273 PolarHBondContact O-N 3.29Å; F269-S273 PolarHBondContact O-OG 2.84Å; D270-S273 WeakPolarHBondContact O-CB 3.23Å; D270-S273 PolarHBondContact O-N 2.74Å; D270-S273 VanDerWaalsContact O-N 3.11Å; S273-L275 VanDerWaalsContact C-N 3.26Å; S273-L275 PolarHBondContact O-N 3.39Å; S273-G276 PolarHBondContact O-N 3.48Å
274	R	86.4	Confident	86.3	Confident	169 Å²	169	47.3 Å²	47.3	64%	0.638	27%	0.268	S	S	*	.	H	α-helix	trans	-62	-31.3	173.5	-68.9	-175.1	-59.9	-132.4	2.8	112.8	E268 D270 A271 G276	E268-R274 IonicContact OE2-NH2 3.74Å; D270-R274 WeakPolarHBondContact O-CG 3.2Å; D270-R274 PolarHBondContact O-N 2.93Å; D270-R274 IonicContact OD2-CZ 2.7Å; D270-R274 IonicContact OD2-NE 3.15Å; D270-R274 IonicContact OD2-NH1 2.71Å; D270-R274 PolarHBondContact OD2-NH1 3.36Å; D270-R274 IonicContact OD2-NH2 2.72Å; A271-R274 PolarHBondContact O-N 3.34Å; R274-G276 PolarHBondContact O-N 3Å
275	L	84.6	Confident	86.2	Confident	44 Å²	44	50 Å²	50	23%	0.23	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.9	173.9	-81.2	158.5	0	0	0	113.5	Y249 Q253 W256 A271 L272 S273	Y249-L275 PolarHBondContact OH-O 2.79Å; Q253-L275 PolarHBondContact NE2-O 2.76Å; W256-L275 HydrophobicContact CD2-CD1 3.66Å; W256-L275 HydrophobicContact CD2-CD2 4.37Å; W256-L275 HydrophobicContact CE3-CD1 3.1Å; W256-L275 HydrophobicContact CE3-CG 4.41Å; W256-L275 HydrophobicContact CH2-CD1 3.81Å; W256-L275 HydrophobicContact CZ2-CD1 4.27Å; W256-L275 HydrophobicContact CZ3-CD1 3.2Å; A271-L275 WeakPolarHBondContact O-CB 3.36Å; A271-L275 WeakPolarHBondContact O-CD1 3.48Å; A271-L275 WeakPolarHBondContact O-CG 3.24Å; A271-L275 PolarHBondContact O-N 3.43Å; L272-L275 WeakPolarHBondContact O-CB 3.29Å; L272-L275 PolarHBondContact O-N 3.43Å; S273-L275 VanDerWaalsContact C-N 3.26Å; S273-L275 PolarHBondContact O-N 3.39Å
276	G	82.1	Confident	86.2	Confident	40 Å²	40	56.7 Å²	56.7	41%	0.412	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	25	-178.2	0	0	0	0	0	114	L272 S273 R274 P278	L272-G276 PolarHBondContact O-N 2.77Å; S273-G276 PolarHBondContact O-N 3.48Å; R274-G276 PolarHBondContact O-N 3Å; G276-P278 WeakPolarHBondContact O-CD 3.4Å
277	I	84.9	Confident	86	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.051	31%	0.308	C	S	.	.			trans	-106.6	99.6	172.8	-58.3	171.5	0	0	0	107.9	L272 D279 Y283	L272-I277 HydrophobicContact CD2-CD1 4.1Å; L272-I277 WeakPolarHBondContact O-CB 3.35Å; L272-I277 PolarHBondContact O-N 3.28Å; I277-D279 PolarHBondContact O-N 3.28Å; I277-Y283 HydrophobicContact CD1-CD1 4.03Å; I277-Y283 HydrophobicContact CD1-CD2 4.25Å; I277-Y283 HydrophobicContact CD1-CE1 3.84Å; I277-Y283 HydrophobicContact CD1-CE2 4.05Å; I277-Y283 HydrophobicContact CD1-CG 4.24Å; I277-Y283 HydrophobicContact CG2-CD1 4.39Å; I277-Y283 HydrophobicContact CG2-CD2 4.04Å; I277-Y283 HydrophobicContact CG2-CG 3.8Å
278	P	77.1	Confident	85.7	Confident	129 Å²	129	60.7 Å²	60.7	84%	0.838	31%	0.313	S	S	*	.	S	Bend	trans	-71.7	-29.1	-173.9	25.3	-32.8	0	0	0	113.9	G276	G276-P278 WeakPolarHBondContact O-CD 3.4Å
279	D	84.9	Confident	85.1	Confident	83 Å²	83	66.8 Å²	66.8	44%	0.444	34%	0.339	S	S	.	.			trans	-113.1	83.4	174.6	-175.4	-4	0	0	0	110.3	I277 V281 S282 Y283	I277-D279 PolarHBondContact O-N 3.28Å; D279-V281 PolarHBondContact O-N 3.24Å; D279-V281 PolarHBondContact OD1-N 3.48Å; D279-S282 VanDerWaalsContact CG-CB 3.45Å; D279-S282 VanDerWaalsContact CG-OG 3.27Å; D279-S282 PolarHBondContact OD1-N 3.21Å; D279-S282 PolarHBondContact OD1-OG 2.8Å; D279-S282 WeakPolarHBondContact OD2-CB 3.45Å; D279-S282 PolarHBondContact OD2-OG 3.31Å; D279-Y283 VanDerWaalsContact O-CB 3.23Å; D279-Y283 WeakPolarHBondContact O-CB 3.48Å; D279-Y283 PolarHBondContact O-N 3.07Å; D279-Y283 VanDerWaalsContact O-N 3.16Å
280	A	85.9	Confident	84.5	Confident	7 Å²	7	71.9 Å²	71.9	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-41.9	-178.7	0	0	0	0	0	112.5	F269 L272 Y283 I284	F269-A280 HydrophobicContact CB-CB 4.14Å; F269-A280 HydrophobicContact CD1-CB 3.8Å; F269-A280 HydrophobicContact CG-CB 4.3Å; L272-A280 HydrophobicContact CB-CB 3.88Å; L272-A280 HydrophobicContact CD1-CB 3.71Å; L272-A280 HydrophobicContact CG-CB 4.45Å; A280-Y283 PolarHBondContact O-N 3.17Å; A280-I284 WeakPolarHBondContact O-CB 3.41Å; A280-I284 WeakPolarHBondContact O-CD1 3.42Å; A280-I284 VanDerWaalsContact O-CG1 3.22Å; A280-I284 WeakPolarHBondContact O-CG1 3.24Å; A280-I284 PolarHBondContact O-N 2.83Å
281	V	85.6	Confident	84	Confident	49 Å²	49	70.6 Å²	70.6	30%	0.297	37%	0.368	S	S	.	.	H	α-helix	trans	-68.5	-49.1	-173.5	179.1	0	0	0	0	110.9	F269 D279 Y283 I284 K285 F295	F269-V281 HydrophobicContact CE1-CG2 4.16Å; F269-V281 HydrophobicContact CZ-CG2 4.17Å; D279-V281 PolarHBondContact O-N 3.24Å; D279-V281 PolarHBondContact OD1-N 3.48Å; V281-Y283 VanDerWaalsContact C-N 3.3Å; V281-Y283 PolarHBondContact O-N 3.13Å; V281-I284 PolarHBondContact O-N 3.46Å; V281-K285 HydrophobicContact CG1-CD 4.18Å; V281-K285 WeakPolarHBondContact O-CB 3.34Å; V281-K285 WeakPolarHBondContact O-CG 3.27Å; V281-K285 PolarHBondContact O-N 2.76Å; V281-F295 HydrophobicContact CG1-CD1 4.03Å; V281-F295 HydrophobicContact CG1-CE1 3.99Å
282	S	86.5	Confident	83.6	Confident	64 Å²	64	77.3 Å²	77.3	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-66.2	-35.8	178	-59.1	0	0	0	0	111.7	D279 K286	D279-S282 VanDerWaalsContact CG-CB 3.45Å; D279-S282 VanDerWaalsContact CG-OG 3.27Å; D279-S282 PolarHBondContact OD1-N 3.21Å; D279-S282 PolarHBondContact OD1-OG 2.8Å; D279-S282 WeakPolarHBondContact OD2-CB 3.45Å; D279-S282 PolarHBondContact OD2-OG 3.31Å; S282-K286 WeakPolarHBondContact O-CB 3.47Å; S282-K286 PolarHBondContact O-N 2.87Å
283	Y	86.6	Confident	83.6	Confident	53 Å²	53	78.6 Å²	78.6	21%	0.208	41%	0.405	C	S	.	.	H	α-helix	trans	-60.1	-51	175.5	-180	-91.1	0	0	0	111.6	S254 V257 I277 D279 A280 V281 K286 R287	S254-Y283 PolarHBondContact OG-OH 3.22Å; V257-Y283 HydrophobicContact CG1-CE1 4.33Å; V257-Y283 HydrophobicContact CG2-CE1 4.43Å; I277-Y283 HydrophobicContact CD1-CD1 4.03Å; I277-Y283 HydrophobicContact CD1-CD2 4.25Å; I277-Y283 HydrophobicContact CD1-CE1 3.84Å; I277-Y283 HydrophobicContact CD1-CE2 4.05Å; I277-Y283 HydrophobicContact CD1-CG 4.24Å; I277-Y283 HydrophobicContact CG2-CD1 4.39Å; I277-Y283 HydrophobicContact CG2-CD2 4.04Å; I277-Y283 HydrophobicContact CG2-CG 3.8Å; D279-Y283 VanDerWaalsContact O-CB 3.23Å; D279-Y283 WeakPolarHBondContact O-CB 3.48Å; D279-Y283 PolarHBondContact O-N 3.07Å; D279-Y283 VanDerWaalsContact O-N 3.16Å; A280-Y283 PolarHBondContact O-N 3.17Å; V281-Y283 VanDerWaalsContact C-N 3.3Å; V281-Y283 PolarHBondContact O-N 3.13Å; Y283-K286 PolarHBondContact O-N 3.29Å; Y283-R287 WeakPolarHBondContact O-CB 3.31Å; Y283-R287 PolarHBondContact O-N 3.42Å; Y283-R287 PolarHBondContact OH-NH1 2.76Å
284	I	86.5	Confident	83.5	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-61.1	-47.4	178.9	-68.6	162.2	0	0	0	110.5	L267 F269 L272 A280 V281 K286 R287 Y288 L293 F295	L267-I284 HydrophobicContact CD1-CD1 4.36Å; L267-I284 HydrophobicContact CD1-CG1 4.29Å; F269-I284 HydrophobicContact CD1-CD1 4.12Å; F269-I284 HydrophobicContact CE1-CD1 3.82Å; L272-I284 HydrophobicContact CD1-CD1 3.39Å; L272-I284 HydrophobicContact CD1-CG1 3.9Å; A280-I284 WeakPolarHBondContact O-CB 3.41Å; A280-I284 WeakPolarHBondContact O-CD1 3.42Å; A280-I284 VanDerWaalsContact O-CG1 3.22Å; A280-I284 WeakPolarHBondContact O-CG1 3.24Å; A280-I284 PolarHBondContact O-N 2.83Å; V281-I284 PolarHBondContact O-N 3.46Å; I284-K286 VanDerWaalsContact C-N 3.29Å; I284-K286 PolarHBondContact O-N 3.15Å; I284-R287 PolarHBondContact O-N 3.43Å; I284-R287 VanDerWaalsContact O-N 3.13Å; I284-Y288 HydrophobicContact CG2-CD2 3.95Å; I284-Y288 PolarHBondContact O-N 2.92Å; I284-L293 HydrophobicContact CG2-CD1 3.51Å; I284-F295 HydrophobicContact CB-CE1 4.18Å; I284-F295 HydrophobicContact CB-CZ 4.41Å; I284-F295 HydrophobicContact CG2-CE1 3.88Å; I284-F295 HydrophobicContact CG2-CZ 3.8Å
285	K	85.8	Confident	83.6	Confident	122 Å²	122	72.7 Å²	72.7	53%	0.53	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-37.8	178.2	-74.2	178.9	-179.8	176.8	0	112.9	V281 K289 F295	V281-K285 HydrophobicContact CG1-CD 4.18Å; V281-K285 WeakPolarHBondContact O-CB 3.34Å; V281-K285 WeakPolarHBondContact O-CG 3.27Å; V281-K285 PolarHBondContact O-N 2.76Å; K285-K289 WeakPolarHBondContact O-CG 3.36Å; K285-F295 HydrophobicContact CD-CZ 4.42Å; K285-F295 HydrophobicContact CG-CE1 4.23Å; K285-F295 HydrophobicContact CG-CE2 4.11Å; K285-F295 HydrophobicContact CG-CZ 3.55Å
286	K	86.4	Confident	83.7	Confident	164 Å²	164	71.3 Å²	71.3	71%	0.713	37%	0.371	S	S	*	.	H	α-helix	trans	-71.2	-34.5	177.9	-172.1	175.9	179	179.8	0	111.9	S282 Y283 I284 K289	S282-K286 WeakPolarHBondContact O-CB 3.47Å; S282-K286 PolarHBondContact O-N 2.87Å; Y283-K286 PolarHBondContact O-N 3.29Å; I284-K286 VanDerWaalsContact C-N 3.29Å; I284-K286 PolarHBondContact O-N 3.15Å; K286-K289 WeakPolarHBondContact O-CE 3.42Å
287	R	84.1	Confident	83.8	Confident	86 Å²	86	75.9 Å²	75.9	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-81.2	-46.4	-176	-166.7	170.9	-171.1	93.8	14.1	112.7	S254 D258 Y283 I284	S254-R287 VanDerWaalsContact CB-NH2 3.3Å; S254-R287 PolarHBondContact OG-NH1 3.34Å; D258-R287 VanDerWaalsContact CG-NH2 3.29Å; D258-R287 IonicContact OD1-CZ 3.89Å; D258-R287 IonicContact OD1-NE 3.62Å; D258-R287 PolarHBondContact OD1-NE 3.27Å; D258-R287 IonicContact OD1-NH2 3.3Å; D258-R287 PolarHBondContact OD1-NH2 3.44Å; D258-R287 IonicContact OD2-CZ 2.74Å; D258-R287 IonicContact OD2-NE 2.76Å; D258-R287 IonicContact OD2-NH2 3.75Å; D258-R287 PolarHBondContact OD2-NH2 2.9Å; Y283-R287 WeakPolarHBondContact O-CB 3.31Å; Y283-R287 PolarHBondContact O-N 3.42Å; Y283-R287 PolarHBondContact OH-NH1 2.76Å; I284-R287 PolarHBondContact O-N 3.43Å; I284-R287 VanDerWaalsContact O-N 3.13Å
288	Y	85	Confident	83.7	Confident	30 Å²	30	77.4 Å²	77.4	12%	0.118	39%	0.393	C	S	.	.			trans	-106.8	55.5	-174.6	-61.2	-74.2	0	0	0	112.6	V257 D258 F261 L267 I284 T290 T291 L293	V257-Y288 HydrophobicContact CG1-CE2 4.31Å; D258-Y288 PolarHBondContact OD1-OH 2.92Å; F261-Y288 AromaticContact CD1-CE1 3.91Å; F261-Y288 HydrophobicContact CD1-CE1 3.91Å; F261-Y288 AromaticContact CD1-CZ 3.89Å; F261-Y288 HydrophobicContact CE1-CE1 4.34Å; L267-Y288 HydrophobicContact CD1-CE2 4.01Å; I284-Y288 HydrophobicContact CG2-CD2 3.95Å; I284-Y288 PolarHBondContact O-N 2.92Å; Y288-T290 PolarHBondContact O-N 3.49Å; Y288-T291 PolarHBondContact O-N 2.8Å; Y288-L293 HydrophobicContact CD2-CD1 4.1Å; Y288-L293 HydrophobicContact CG-CD1 4.12Å
289	K	78.6	Confident	84.2	Confident	168 Å²	168	71.2 Å²	71.2	73%	0.73	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.9	-175.8	-68.2	-177.1	-179.3	-177.6	0	114.7	K285 K286	K285-K289 WeakPolarHBondContact O-CG 3.36Å; K286-K289 WeakPolarHBondContact O-CE 3.42Å
290	T	75.1	Confident	84.4	Confident	137 Å²	137	67.3 Å²	67.3	84%	0.84	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-15.3	-175	47.2	0	0	0	0	113.3	Y288	Y288-T290 PolarHBondContact O-N 3.49Å
291	T	78.2	Confident	84.6	Confident	61 Å²	61	67 Å²	67	37%	0.374	33%	0.33	S	S	.	.	S	Bend	trans	-93.6	128.4	-176.1	-46.8	0	0	0	0	109	Y288 L293	Y288-T291 PolarHBondContact O-N 2.8Å; T291-L293 HydrophobicContact CG2-CD2 4.01Å; T291-L293 HydrophobicContact CG2-CG 4.36Å; T291-L293 PolarHBondContact O-N 3.1Å
292	Q	78.7	Confident	84.7	Confident	149 Å²	149	64.8 Å²	64.8	70%	0.696	32%	0.317	S	S	*	.			trans	-71.4	118.3	170.1	-67.7	-168.6	-1.4	0	0	108.7
293	L	86	Confident	84.7	Confident	27 Å²	27	65.3 Å²	65.3	14%	0.141	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.3	179.2	-62.9	175.7	0	0	0	108.2	F261 I284 Y288 T291 F295 V301	F261-L293 HydrophobicContact CE1-CD2 4.25Å; F261-L293 HydrophobicContact CE2-CD2 3.71Å; F261-L293 HydrophobicContact CZ-CD2 3.34Å; I284-L293 HydrophobicContact CG2-CD1 3.51Å; Y288-L293 HydrophobicContact CD2-CD1 4.1Å; Y288-L293 HydrophobicContact CG-CD1 4.12Å; T291-L293 HydrophobicContact CG2-CD2 4.01Å; T291-L293 HydrophobicContact CG2-CG 4.36Å; T291-L293 PolarHBondContact O-N 3.1Å; L293-F295 HydrophobicContact CB-CE2 4.13Å; L293-V301 WeakPolarHBondContact CA-O 3.42Å
294	L	84.9	Confident	84.7	Confident	36 Å²	36	65.3 Å²	65.3	19%	0.188	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.5	171.4	-170.9	66.4	0	0	0	108.3	L296 C300 V301 V306 L341 Q344	L294-L296 HydrophobicContact CD2-CD2 3.82Å; L294-L296 HydrophobicContact CG-CD2 3.96Å; L294-C300 CarbonylContact O-C 3.57Å; L294-C300 VanDerWaalsContact O-CA 3.24Å; L294-C300 WeakPolarHBondContact O-CA 3.24Å; L294-V301 PolarHBondContact N-O 2.81Å; L294-V301 PolarHBondContact O-N 3.13Å; L294-V306 HydrophobicContact CD2-CG2 4.4Å; L294-L341 HydrophobicContact CD2-CB 4.35Å; L294-L341 HydrophobicContact CD2-CG 4.27Å; L294-Q344 HydrophobicContact CD1-CB 4.49Å; L294-Q344 HydrophobicContact CD1-CG 4.03Å; L294-Q344 HydrophobicContact CD2-CB 4.34Å; L294-Q344 HydrophobicContact CD2-CG 4.42Å
295	F	87.5	Confident	84.7	Confident	67 Å²	67	66 Å²	66	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.6	175.9	-69.3	-94.7	0	0	0	108.7	F269 V281 I284 K285 L293 C300	F269-F295 HydrophobicContact CE1-CD1 4.35Å; F269-F295 HydrophobicContact CZ-CD1 4.05Å; V281-F295 HydrophobicContact CG1-CD1 4.03Å; V281-F295 HydrophobicContact CG1-CE1 3.99Å; I284-F295 HydrophobicContact CB-CE1 4.18Å; I284-F295 HydrophobicContact CB-CZ 4.41Å; I284-F295 HydrophobicContact CG2-CE1 3.88Å; I284-F295 HydrophobicContact CG2-CZ 3.8Å; K285-F295 HydrophobicContact CD-CZ 4.42Å; K285-F295 HydrophobicContact CG-CE1 4.23Å; K285-F295 HydrophobicContact CG-CE2 4.11Å; K285-F295 HydrophobicContact CG-CZ 3.55Å; L293-F295 HydrophobicContact CB-CE2 4.13Å; F295-C300 HydrophobicContact CD1-CB 4Å; F295-C300 HydrophobicContact CE1-CB 4.26Å; F295-C300 HydrophobicContact CG-CB 4.44Å
296	L	86.9	Confident	84.8	Confident	15 Å²	15	60.8 Å²	60.8	8%	0.079	31%	0.311	C	S	.	.			trans	-97.6	-166.1	173.6	-48.3	171.8	0	0	0	108.7	F269 L294 A299 V301 L333 D337 I340 L341	F269-L296 WeakPolarHBondContact CE2-O 3.49Å; L294-L296 HydrophobicContact CD2-CD2 3.82Å; L294-L296 HydrophobicContact CG-CD2 3.96Å; L296-A299 CarbonylContact C-O 3.59Å; L296-A299 VanDerWaalsContact CA-O 3.32Å; L296-A299 WeakPolarHBondContact CA-O 3.26Å; L296-A299 WeakPolarHBondContact CB-O 3.32Å; L296-A299 PolarHBondContact N-O 2.62Å; L296-V301 HydrophobicContact CD1-CB 4.44Å; L296-V301 HydrophobicContact CD1-CG2 3.52Å; L296-V301 HydrophobicContact CG-CG2 4.41Å; L296-L333 HydrophobicContact CD1-CD2 3.5Å; L296-D337 HydrophobicContact CB-CB 4.07Å; L296-D337 VanDerWaalsContact CB-OD1 3.29Å; L296-D337 WeakPolarHBondContact CB-OD1 3.48Å; L296-D337 HydrophobicContact CD1-CB 3.93Å; L296-I340 HydrophobicContact CD2-CB 3.94Å; L296-I340 HydrophobicContact CD2-CG2 3.61Å; L296-L341 HydrophobicContact CD2-CB 4.3Å
297	K	84.1	Confident	84.8	Confident	136 Å²	136	56.6 Å²	56.6	59%	0.591	30%	0.296	S	S	*	.	S	Bend	trans	-82.6	-45.2	-178.5	-167.7	-179	176.9	-179.1	0	111.8	F269 E336 D337	F269-K297 WeakPolarHBondContact CD2-O 3.45Å; K297-E336 WeakPolarHBondContact CD-OE2 3.32Å; K297-E336 WeakPolarHBondContact CE-OE2 3.34Å; K297-E336 IonicContact NZ-OE1 3.66Å; K297-E336 PolarHBondContact NZ-OE1 3.49Å; K297-E336 IonicContact NZ-OE2 3.68Å; K297-E336 PolarHBondContact NZ-OE2 3.44Å; K297-D337 WeakPolarHBondContact CA-OD1 3.2Å; K297-D337 WeakPolarHBondContact CB-OD1 3.09Å; K297-D337 PolarHBondContact N-OD1 3.37Å
298	A	84.1	Confident	85	Confident	42 Å²	42	57.1 Å²	57.1	35%	0.347	30%	0.302	S	S	.	.	S	Bend	trans	-100.9	-22.3	-179.8	0	0	0	0	0	114	F269 D337	F269-A298 VanDerWaalsContact CD2-O 3.28Å; F269-A298 WeakPolarHBondContact CD2-O 3.45Å; F269-A298 WeakPolarHBondContact CG-O 3.14Å; F269-A298 PolarHBondContact N-O 2.68Å; A298-D337 WeakPolarHBondContact CB-OD2 3.15Å; A298-D337 PolarHBondContact N-OD1 3.36Å; A298-D337 PolarHBondContact N-OD2 3.44Å; A298-D337 VanDerWaalsContact N-OD2 3.07Å
299	A	87.3	Confident	85.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	169	-178	0	0	0	0	0	113.1	L267 F269 L296 L333	L267-A299 CarbonylContact O-C 3.44Å; L267-A299 VanDerWaalsContact O-CA 3.25Å; L267-A299 WeakPolarHBondContact O-CA 3.38Å; L267-A299 WeakPolarHBondContact O-CB 3.31Å; F269-A299 WeakPolarHBondContact CZ-O 3.27Å; L296-A299 CarbonylContact C-O 3.59Å; L296-A299 VanDerWaalsContact CA-O 3.32Å; L296-A299 WeakPolarHBondContact CA-O 3.26Å; L296-A299 WeakPolarHBondContact CB-O 3.32Å; L296-A299 PolarHBondContact N-O 2.62Å; A299-L333 HydrophobicContact CB-CD2 3.82Å
300	C	88.8	Confident	85.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.1	162.1	73	0	0	0	0	110.9	Y266 L267 F269 L294 F295	Y266-C300 CarbonylContact C-O 3.44Å; Y266-C300 VanDerWaalsContact CA-O 3.28Å; Y266-C300 WeakPolarHBondContact CA-O 3.44Å; Y266-C300 WeakPolarHBondContact CB-O 3.28Å; L267-C300 PolarHBondContact N-O 3.19Å; L267-C300 PolarHBondContact O-N 2.88Å; F269-C300 HydrophobicContact CE1-CB 4.07Å; F269-C300 HydrophobicContact CZ-CB 4.13Å; L294-C300 CarbonylContact O-C 3.57Å; L294-C300 VanDerWaalsContact O-CA 3.24Å; L294-C300 WeakPolarHBondContact O-CA 3.24Å; F295-C300 HydrophobicContact CD1-CB 4Å; F295-C300 HydrophobicContact CE1-CB 4.26Å; F295-C300 HydrophobicContact CG-CB 4.44Å
301	V	89.6	Confident	86.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.1	-172.9	175.5	0	0	0	0	109.7	L293 L294 L296 L305 V306 L333 L341	L293-V301 WeakPolarHBondContact CA-O 3.42Å; L294-V301 PolarHBondContact N-O 2.81Å; L294-V301 PolarHBondContact O-N 3.13Å; L296-V301 HydrophobicContact CD1-CB 4.44Å; L296-V301 HydrophobicContact CD1-CG2 3.52Å; L296-V301 HydrophobicContact CG-CG2 4.41Å; V301-L305 HydrophobicContact CG1-CB 3.55Å; V301-L305 HydrophobicContact CG1-CD2 3.54Å; V301-L305 HydrophobicContact CG1-CG 3.95Å; V301-L305 HydrophobicContact CG2-CD2 4.23Å; V301-V306 HydrophobicContact CG1-CG2 4.21Å; V301-L333 HydrophobicContact CG2-CD2 4.17Å; V301-L341 HydrophobicContact CB-CD1 4.49Å; V301-L341 HydrophobicContact CG1-CD1 4.11Å; V301-L341 HydrophobicContact CG2-CD1 4.38Å
302	G	88.1	Confident	86.8	Confident	4 Å²	4	44.8 Å²	44.8	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	160.2	174.3	0	0	0	0	0	112.8	G265 G304 L305	G265-G302 WeakPolarHBondContact O-CA 3.2Å; G265-G302 PolarHBondContact O-N 2.88Å; G302-G304 PolarHBondContact O-N 2.8Å; G302-G304 VanDerWaalsContact O-N 3.14Å; G302-L305 PolarHBondContact O-N 3.28Å
303	Q	87.2	Confident	87.2	Confident	75 Å²	75	37.7 Å²	37.7	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-54.6	-35.8	-176.7	-168.1	59.9	37.6	0	0	113.6	L305 V306 D307	Q303-L305 VanDerWaalsContact C-N 3.31Å; Q303-L305 PolarHBondContact O-N 3.48Å; Q303-V306 CarbonylContact O-C 3.58Å; Q303-V306 WeakPolarHBondContact O-CA 3.46Å; Q303-V306 WeakPolarHBondContact O-CB 3.5Å; Q303-V306 PolarHBondContact O-N 3.38Å; Q303-D307 PolarHBondContact NE2-OD1 2.64Å; Q303-D307 PolarHBondContact O-N 2.83Å
304	G	85.4	Confident	87.2	Confident	52 Å²	52	41.8 Å²	41.8	54%	0.536	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-34.5	-178.9	0	0	0	0	0	114.8	G302 Q308	G302-G304 PolarHBondContact O-N 2.8Å; G302-G304 VanDerWaalsContact O-N 3.14Å; G304-Q308 PolarHBondContact O-N 2.92Å; G304-Q308 VanDerWaalsContact O-N 3.1Å
305	L	86.6	Confident	87.4	Confident	16 Å²	16	46.5 Å²	46.5	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-76.5	-32.3	175.5	-172.6	68.2	0	0	0	111.2	V301 G302 Q303 Q308 V309 L329 P330 L333	V301-L305 HydrophobicContact CG1-CB 3.55Å; V301-L305 HydrophobicContact CG1-CD2 3.54Å; V301-L305 HydrophobicContact CG1-CG 3.95Å; V301-L305 HydrophobicContact CG2-CD2 4.23Å; G302-L305 PolarHBondContact O-N 3.28Å; Q303-L305 VanDerWaalsContact C-N 3.31Å; Q303-L305 PolarHBondContact O-N 3.48Å; L305-Q308 PolarHBondContact O-N 2.75Å; L305-V309 WeakPolarHBondContact O-CG2 3.17Å; L305-V309 PolarHBondContact O-N 3.05Å; L305-V309 VanDerWaalsContact O-N 3.1Å; L305-L329 HydrophobicContact CD2-CD2 3.97Å; L305-L329 HydrophobicContact CG-CD2 4.28Å; L305-P330 HydrophobicContact CD2-CG 4.35Å; L305-L333 HydrophobicContact CD2-CD1 4.43Å
306	V	87.6	Confident	87.3	Confident	12 Å²	12	43.4 Å²	43.4	7%	0.073	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-47.2	172.8	-179	0	0	0	0	109.9	L294 V301 Q303 Q308 V309 E310 V345	L294-V306 HydrophobicContact CD2-CG2 4.4Å; V301-V306 HydrophobicContact CG1-CG2 4.21Å; Q303-V306 CarbonylContact O-C 3.58Å; Q303-V306 WeakPolarHBondContact O-CA 3.46Å; Q303-V306 WeakPolarHBondContact O-CB 3.5Å; Q303-V306 PolarHBondContact O-N 3.38Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.33Å; V306-V309 PolarHBondContact O-N 2.81Å; V306-E310 WeakPolarHBondContact O-CB 3.37Å; V306-E310 PolarHBondContact O-N 3.11Å; V306-V345 HydrophobicContact CG1-CG2 4.02Å
307	D	87.7	Confident	87.3	Confident	76 Å²	76	43.8 Å²	43.8	41%	0.406	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-36.6	178.1	-59.8	-21	0	0	0	111.5	Q303 E310 A311	Q303-D307 PolarHBondContact NE2-OD1 2.64Å; Q303-D307 PolarHBondContact O-N 2.83Å; D307-E310 PolarHBondContact O-N 3Å; D307-A311 WeakPolarHBondContact O-CB 3.02Å; D307-A311 PolarHBondContact O-N 3.43Å
308	Q	88.6	Confident	87.3	Confident	97 Å²	97	41.2 Å²	41.2	45%	0.453	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-44.4	175.8	-176.1	-179.8	-2.8	0	0	111.8	G304 L305 V306 A311 S312	G304-Q308 PolarHBondContact O-N 2.92Å; G304-Q308 VanDerWaalsContact O-N 3.1Å; L305-Q308 PolarHBondContact O-N 2.75Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.33Å; Q308-A311 PolarHBondContact O-N 3.41Å; Q308-S312 PolarHBondContact O-N 3.21Å; Q308-S312 VanDerWaalsContact O-N 3.1Å; Q308-S312 PolarHBondContact O-OG 3.36Å
309	V	88.5	Confident	87.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-40.3	176.9	174.6	0	0	0	0	110.4	L305 V306 A311 S312 V313 I325 L329 L341 L342 V345	L305-V309 WeakPolarHBondContact O-CG2 3.17Å; L305-V309 PolarHBondContact O-N 3.05Å; L305-V309 VanDerWaalsContact O-N 3.1Å; V306-V309 PolarHBondContact O-N 2.81Å; V309-A311 PolarHBondContact O-N 3.23Å; V309-S312 PolarHBondContact O-N 3.47Å; V309-V313 HydrophobicContact CG1-CG2 4.38Å; V309-V313 WeakPolarHBondContact O-CB 3.25Å; V309-V313 VanDerWaalsContact O-CG2 3.3Å; V309-V313 WeakPolarHBondContact O-CG2 3.26Å; V309-V313 PolarHBondContact O-N 3.33Å; V309-I325 HydrophobicContact CG1-CB 4.43Å; V309-I325 HydrophobicContact CG1-CG2 3.79Å; V309-L329 HydrophobicContact CG2-CD2 4.12Å; V309-L341 HydrophobicContact CB-CD2 3.84Å; V309-L341 HydrophobicContact CG1-CD2 3.62Å; V309-L341 HydrophobicContact CG2-CD2 3.73Å; V309-L342 HydrophobicContact CG1-CD1 4.46Å; V309-V345 HydrophobicContact CG1-CG2 4.26Å
310	E	88.4	Confident	87.2	Confident	60 Å²	60	42.7 Å²	42.7	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-46.4	174.6	-175.4	168.1	-172.7	0	0	111.5	V306 D307 V313 E314 V345 F349	V306-E310 WeakPolarHBondContact O-CB 3.37Å; V306-E310 PolarHBondContact O-N 3.11Å; D307-E310 PolarHBondContact O-N 3Å; E310-V313 PolarHBondContact O-N 3.44Å; E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 PolarHBondContact O-N 3.39Å; E310-V345 HydrophobicContact CB-CG1 4.07Å; E310-V345 HydrophobicContact CG-CG1 4.36Å; E310-F349 HydrophobicContact CG-CE2 3.66Å; E310-F349 HydrophobicContact CG-CZ 3.56Å
311	A	88.6	Confident	87.1	Confident	53 Å²	53	45.8 Å²	45.8	44%	0.438	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-43.9	177	0	0	0	0	0	112.6	D307 Q308 V309 V313 E314 E315	D307-A311 WeakPolarHBondContact O-CB 3.02Å; D307-A311 PolarHBondContact O-N 3.43Å; Q308-A311 PolarHBondContact O-N 3.41Å; V309-A311 PolarHBondContact O-N 3.23Å; A311-V313 VanDerWaalsContact C-N 3.33Å; A311-V313 PolarHBondContact O-N 2.9Å; A311-E314 PolarHBondContact O-N 2.92Å; A311-E315 WeakPolarHBondContact O-CB 3.45Å; A311-E315 PolarHBondContact O-N 3.23Å
312	S	87.8	Confident	87	Confident	24 Å²	24	48.7 Å²	48.7	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-37.6	177.3	-63.4	0	0	0	0	112.5	Q308 V309 A316 L328	Q308-S312 PolarHBondContact O-N 3.21Å; Q308-S312 VanDerWaalsContact O-N 3.1Å; Q308-S312 PolarHBondContact O-OG 3.36Å; V309-S312 PolarHBondContact O-N 3.47Å; S312-A316 PolarHBondContact O-N 3.48Å; S312-A316 VanDerWaalsContact O-N 3.09Å; S312-L328 VanDerWaalsContact OG-CD1 3.31Å; S312-L328 WeakPolarHBondContact OG-CD1 3.31Å
313	V	87.5	Confident	86.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.8	-43.8	175.7	169.5	0	0	0	0	110.9	V309 E310 A311 E315 A316 I317 V323 L342 M346 F349 V363	V309-V313 HydrophobicContact CG1-CG2 4.38Å; V309-V313 WeakPolarHBondContact O-CB 3.25Å; V309-V313 VanDerWaalsContact O-CG2 3.3Å; V309-V313 WeakPolarHBondContact O-CG2 3.26Å; V309-V313 PolarHBondContact O-N 3.33Å; E310-V313 PolarHBondContact O-N 3.44Å; A311-V313 VanDerWaalsContact C-N 3.33Å; A311-V313 PolarHBondContact O-N 2.9Å; V313-E315 VanDerWaalsContact C-N 3.33Å; V313-E315 PolarHBondContact O-N 3.34Å; V313-A316 PolarHBondContact O-N 2.86Å; V313-I317 HydrophobicContact CG1-CD1 3.83Å; V313-I317 VanDerWaalsContact O-CG1 3.27Å; V313-I317 WeakPolarHBondContact O-CG1 3.46Å; V313-I317 PolarHBondContact O-N 2.88Å; V313-V323 HydrophobicContact CG2-CG1 4.47Å; V313-L342 HydrophobicContact CG2-CD1 4.14Å; V313-M346 HydrophobicContact CG1-SD 4.31Å; V313-F349 HydrophobicContact CB-CE2 4.48Å; V313-F349 HydrophobicContact CG1-CD2 4.23Å; V313-F349 HydrophobicContact CG1-CE2 4.09Å; V313-V363 HydrophobicContact CG1-CG1 4.09Å; V313-V363 HydrophobicContact CG2-CB 4.38Å; V313-V363 HydrophobicContact CG2-CG2 3.93Å
314	E	87	Confident	86.9	Confident	113 Å²	113	47.8 Å²	47.8	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-42.6	175.7	-172.1	175.5	-169.1	0	0	111.6	E310 A311 I317 S318 F349	E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 PolarHBondContact O-N 3.39Å; A311-E314 PolarHBondContact O-N 2.92Å; E314-I317 PolarHBondContact O-N 3.09Å; E314-S318 WeakPolarHBondContact O-CB 3.35Å; E314-S318 PolarHBondContact O-N 3.08Å; E314-S318 PolarHBondContact O-OG 3.21Å; E314-F349 HydrophobicContact CB-CE1 4.11Å; E314-F349 HydrophobicContact CB-CZ 3.99Å; E314-F349 HydrophobicContact CG-CE1 4.31Å
315	E	87.6	Confident	86.9	Confident	134 Å²	134	45.3 Å²	45.3	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-57.7	-52	175.2	-175.7	176.1	179.1	0	0	110.7	A311 V313 I317 S318 S319	A311-E315 WeakPolarHBondContact O-CB 3.45Å; A311-E315 PolarHBondContact O-N 3.23Å; V313-E315 VanDerWaalsContact C-N 3.33Å; V313-E315 PolarHBondContact O-N 3.34Å; E315-I317 VanDerWaalsContact C-N 3.31Å; E315-I317 PolarHBondContact O-N 3.34Å; E315-S318 PolarHBondContact O-N 3.08Å; E315-S318 VanDerWaalsContact O-N 3.08Å; E315-S318 PolarHBondContact O-OG 3.46Å; E315-S319 WeakPolarHBondContact O-CB 3.37Å; E315-S319 PolarHBondContact O-N 3.33Å; E315-S319 PolarHBondContact O-OG 2.97Å
316	A	86.4	Confident	86.8	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-38.4	179.9	0	0	0	0	0	113.1	S312 V313 S319 G320 T321 V323	S312-A316 PolarHBondContact O-N 3.48Å; S312-A316 VanDerWaalsContact O-N 3.09Å; V313-A316 PolarHBondContact O-N 2.86Å; A316-S319 WeakPolarHBondContact CA-OG 3.3Å; A316-S319 PolarHBondContact O-OG 2.97Å; A316-G320 PolarHBondContact O-N 3.37Å; A316-G320 VanDerWaalsContact O-N 3.08Å; A316-T321 PolarHBondContact O-N 3.45Å; A316-V323 HydrophobicContact CB-CB 3.98Å; A316-V323 HydrophobicContact CB-CG1 3.66Å
317	I	85.9	Confident	86.7	Confident	22 Å²	22	51 Å²	51	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-66.1	-42.7	175	-69.6	169.1	0	0	0	111	V313 E314 E315 S354 A355	V313-I317 HydrophobicContact CG1-CD1 3.83Å; V313-I317 VanDerWaalsContact O-CG1 3.27Å; V313-I317 WeakPolarHBondContact O-CG1 3.46Å; V313-I317 PolarHBondContact O-N 2.88Å; E314-I317 PolarHBondContact O-N 3.09Å; E315-I317 VanDerWaalsContact C-N 3.31Å; E315-I317 PolarHBondContact O-N 3.34Å; I317-S354 WeakPolarHBondContact CG2-OG 3.46Å; I317-A355 HydrophobicContact CD1-CB 3.71Å; I317-A355 HydrophobicContact CG1-CB 3.8Å
318	S	85.1	Confident	86.4	Confident	83 Å²	83	50 Å²	50	58%	0.58	29%	0.287	S	S	*	.	H	α-helix	trans	-69.4	-41.9	-177.2	76.8	0	0	0	0	112.5	E314 E315	E314-S318 WeakPolarHBondContact O-CB 3.35Å; E314-S318 PolarHBondContact O-N 3.08Å; E314-S318 PolarHBondContact O-OG 3.21Å; E315-S318 PolarHBondContact O-N 3.08Å; E315-S318 VanDerWaalsContact O-N 3.08Å; E315-S318 PolarHBondContact O-OG 3.46Å
319	S	85.4	Confident	86.2	Confident	66 Å²	66	46.2 Å²	46.2	46%	0.462	27%	0.27	S	S	.	.	H	α-helix	trans	-78	-19.4	-179.6	62.1	0	0	0	0	113.1	E315 A316 T321	E315-S319 WeakPolarHBondContact O-CB 3.37Å; E315-S319 PolarHBondContact O-N 3.33Å; E315-S319 PolarHBondContact O-OG 2.97Å; A316-S319 WeakPolarHBondContact CA-OG 3.3Å; A316-S319 PolarHBondContact O-OG 2.97Å; S319-T321 PolarHBondContact OG-N 3.46Å; S319-T321 PolarHBondContact OG-OG1 3.34Å
320	G	83.6	Confident	85.9	Confident	7 Å²	7	47.5 Å²	47.5	7%	0.072	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	33.1	-174.3	0	0	0	0	0	112.8	A316 S365 F368	A316-G320 PolarHBondContact O-N 3.37Å; A316-G320 VanDerWaalsContact O-N 3.08Å; G320-S365 VanDerWaalsContact CA-OG 3.24Å; G320-S365 WeakPolarHBondContact CA-OG 3.5Å; G320-S365 PolarHBondContact O-OG 2.76Å; G320-F368 WeakPolarHBondContact O-CB 3.28Å
321	T	86.4	Confident	85.5	Confident	64 Å²	64	51.9 Å²	51.9	39%	0.393	31%	0.31	S	S	.	.			trans	-112.4	-171	179.9	63.5	0	0	0	0	111.7	A316 S319 S365	A316-T321 PolarHBondContact O-N 3.45Å; S319-T321 PolarHBondContact OG-N 3.46Å; S319-T321 PolarHBondContact OG-OG1 3.34Å; T321-S365 PolarHBondContact N-OG 2.89Å; T321-S365 WeakPolarHBondContact O-CB 3.3Å; T321-S365 PolarHBondContact O-N 2.73Å; T321-S365 PolarHBondContact O-OG 3.48Å
322	W	86.9	Confident	84.9	Confident	61 Å²	61	50.9 Å²	50.9	23%	0.231	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	157.8	169.2	63.4	-86.5	0	0	0	110	D324 V362 V363 V364 F368 I490 D492 A493 F497	W322-D324 HydrophobicContact CZ3-CB 4.2Å; W322-V362 HydrophobicContact CE3-CG1 4.04Å; W322-V363 CarbonylContact C-O 3.49Å; W322-V363 VanDerWaalsContact CA-O 3.28Å; W322-V363 WeakPolarHBondContact CA-O 3.08Å; W322-V364 HydrophobicContact CB-CB 4.47Å; W322-V364 HydrophobicContact CB-CG1 4.41Å; W322-V364 HydrophobicContact CB-CG2 3.96Å; W322-F368 AromaticContact CD1-CE1 3.74Å; W322-F368 AromaticContact CD1-CE2 3.73Å; W322-F368 AromaticContact CD1-CZ 3.4Å; W322-F368 VanDerWaalsContact CD1-CZ 3.4Å; W322-F368 HydrophobicContact CG-CE1 4.44Å; W322-F368 HydrophobicContact CG-CZ 4.45Å; W322-F368 AromaticContact NE1-CZ 3.97Å; W322-I490 HydrophobicContact CZ2-CG2 4.48Å; W322-D492 WeakPolarHBondContact CH2-O 3.44Å; W322-A493 HydrophobicContact CH2-CB 4.2Å; W322-A493 HydrophobicContact CZ2-CB 3.97Å; W322-F497 HydrophobicContact CD2-CE1 4.33Å; W322-F497 HydrophobicContact CG-CE1 4.42Å
323	V	86.9	Confident	84.6	Confident	26 Å²	26	50.8 Å²	50.8	16%	0.158	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	132.4	174.9	64.1	0	0	0	0	110.3	V313 A316 V362 V363	V313-V323 HydrophobicContact CG2-CG1 4.47Å; A316-V323 HydrophobicContact CB-CB 3.98Å; A316-V323 HydrophobicContact CB-CG1 3.66Å; V323-V362 WeakPolarHBondContact O-CA 3.46Å; V323-V363 HydrophobicContact CG1-CB 4.15Å; V323-V363 PolarHBondContact N-O 3.22Å; V323-V363 PolarHBondContact O-N 3.42Å
324	D	86.5	Confident	84.4	Confident	34 Å²	34	52.9 Å²	52.9	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.3	167.4	-179.5	4.8	0	0	0	108.9	W322 A326 P327 V362	W322-D324 HydrophobicContact CZ3-CB 4.2Å; D324-A326 VanDerWaalsContact OD1-CB 3.29Å; D324-A326 WeakPolarHBondContact OD1-CB 3.46Å; D324-A326 PolarHBondContact OD1-N 3.01Å; D324-P327 VanDerWaalsContact CG-CD 3.49Å; D324-P327 WeakPolarHBondContact O-CD 3.17Å; D324-P327 WeakPolarHBondContact OD2-CD 3.29Å; D324-V362 HydrophobicContact CB-CG2 4.16Å
325	I	86.1	Confident	84.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-83	-17.7	178.4	61.2	152	0	0	0	112.6	V309 L328 L329 A338 L342 T361	V309-I325 HydrophobicContact CG1-CB 4.43Å; V309-I325 HydrophobicContact CG1-CG2 3.79Å; I325-L328 WeakPolarHBondContact O-CB 3.27Å; I325-L328 PolarHBondContact O-N 2.89Å; I325-L329 HydrophobicContact CD1-CD1 4Å; I325-L329 WeakPolarHBondContact O-CG 3.28Å; I325-L329 PolarHBondContact O-N 3.34Å; I325-A338 HydrophobicContact CD1-CB 4Å; I325-L342 HydrophobicContact CD1-CB 3.91Å; I325-L342 HydrophobicContact CD1-CD1 4.03Å; I325-L342 HydrophobicContact CD1-CD2 4.15Å; I325-L342 HydrophobicContact CD1-CG 4.27Å; I325-L342 HydrophobicContact CG1-CD2 4.43Å; I325-L342 HydrophobicContact CG2-CD1 4.12Å; I325-T361 WeakPolarHBondContact CG1-O 3.45Å; I325-T361 PolarHBondContact N-O 3.01Å
326	A	84.6	Confident	83.9	Confident	45 Å²	45	50.3 Å²	50.3	37%	0.372	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58.3	-41.7	-176.8	0	0	0	0	0	113.6	D324 L328 L329	D324-A326 VanDerWaalsContact OD1-CB 3.29Å; D324-A326 WeakPolarHBondContact OD1-CB 3.46Å; D324-A326 PolarHBondContact OD1-N 3.01Å; A326-L328 PolarHBondContact O-N 3.21Å; A326-L329 PolarHBondContact O-N 2.97Å
327	P	84.8	Confident	83.8	Confident	103 Å²	103	50.2 Å²	50.2	67%	0.669	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.9	176	-21.5	34.1	0	0	0	114.3	D324 L329	D324-P327 VanDerWaalsContact CG-CD 3.49Å; D324-P327 WeakPolarHBondContact O-CD 3.17Å; D324-P327 WeakPolarHBondContact OD2-CD 3.29Å; P327-L329 VanDerWaalsContact C-N 3.35Å
328	L	81.3	Confident	83.8	Confident	55 Å²	55	49.3 Å²	49.3	29%	0.288	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-83.1	-19.1	178.3	-57.8	176.2	0	0	0	111.9	S312 I325 A326	S312-L328 VanDerWaalsContact OG-CD1 3.31Å; S312-L328 WeakPolarHBondContact OG-CD1 3.31Å; I325-L328 WeakPolarHBondContact O-CB 3.27Å; I325-L328 PolarHBondContact O-N 2.89Å; A326-L328 PolarHBondContact O-N 3.21Å
329	L	84.4	Confident	83.8	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.089	28%	0.282	C	S	.	.	S	Bend	trans	-91.8	144.2	-177.4	-67.8	179.4	0	0	0	111.4	L305 V309 I325 A326 P327 T331 L333 A338 L341	L305-L329 HydrophobicContact CD2-CD2 3.97Å; L305-L329 HydrophobicContact CG-CD2 4.28Å; V309-L329 HydrophobicContact CG2-CD2 4.12Å; I325-L329 HydrophobicContact CD1-CD1 4Å; I325-L329 WeakPolarHBondContact O-CG 3.28Å; I325-L329 PolarHBondContact O-N 3.34Å; A326-L329 PolarHBondContact O-N 2.97Å; P327-L329 VanDerWaalsContact C-N 3.35Å; L329-T331 PolarHBondContact O-N 3.27Å; L329-L333 HydrophobicContact CB-CD1 3.93Å; L329-L333 HydrophobicContact CD1-CD1 4.47Å; L329-L333 HydrophobicContact CD2-CD1 3.99Å; L329-L333 HydrophobicContact CG-CD1 4.34Å; L329-A338 HydrophobicContact CD1-CB 3.44Å; L329-A338 VanDerWaalsContact CD1-CB 3.44Å; L329-L341 HydrophobicContact CD2-CD1 4.23Å
330	P	82.6	Confident	83.8	Confident	28 Å²	28	46.4 Å²	46.4	18%	0.182	28%	0.276	C	S	.	.			trans	-52.4	138.2	167.6	-26.2	28.8	0	0	0	112.6	Y266 L305 S332 L333	Y266-P330 HydrophobicContact CD1-CB 4.06Å; Y266-P330 HydrophobicContact CD1-CG 3.4Å; Y266-P330 HydrophobicContact CE1-CB 3.5Å; Y266-P330 VanDerWaalsContact CE1-CB 3.5Å; Y266-P330 HydrophobicContact CE1-CG 3.26Å; Y266-P330 HydrophobicContact CE2-CB 4.14Å; Y266-P330 HydrophobicContact CE2-CG 4.48Å; Y266-P330 HydrophobicContact CG-CG 4.08Å; L305-P330 HydrophobicContact CD2-CG 4.35Å; P330-S332 WeakPolarHBondContact CB-OG 3.45Å; P330-S332 PolarHBondContact O-N 3.08Å; P330-L333 HydrophobicContact CB-CD1 4.24Å; P330-L333 HydrophobicContact CG-CD1 4.08Å; P330-L333 WeakPolarHBondContact O-CB 3.4Å; P330-L333 PolarHBondContact O-N 3.25Å
331	T	80.8	Confident	83.9	Confident	151 Å²	151	46.1 Å²	46.1	93%	0.926	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.3	179.9	57.4	0	0	0	0	114.5	L329 L333	L329-T331 PolarHBondContact O-N 3.27Å; T331-L333 VanDerWaalsContact C-N 3.33Å
332	S	75.8	Confident	83.8	Confident	33 Å²	33	43.1 Å²	43.1	23%	0.231	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.2	175.8	51.6	0	0	0	0	113.9	Y266 E268 P330	Y266-S332 WeakPolarHBondContact CE2-OG 3.31Å; Y266-S332 PolarHBondContact OH-OG 3.18Å; E268-S332 VanDerWaalsContact CD-CB 3.47Å; E268-S332 WeakPolarHBondContact OE1-CB 3.49Å; E268-S332 PolarHBondContact OE1-OG 3.49Å; P330-S332 WeakPolarHBondContact CB-OG 3.45Å; P330-S332 PolarHBondContact O-N 3.08Å
333	L	81.6	Confident	83.7	Confident	21 Å²	21	45.9 Å²	45.9	11%	0.11	27%	0.27	C	S	.	.	S	Bend	trans	-84	136.3	177	-69.4	156.4	0	0	0	109.6	L296 A299 V301 L305 L329 P330 T331 D337	L296-L333 HydrophobicContact CD1-CD2 3.5Å; A299-L333 HydrophobicContact CB-CD2 3.82Å; V301-L333 HydrophobicContact CG2-CD2 4.17Å; L305-L333 HydrophobicContact CD2-CD1 4.43Å; L329-L333 HydrophobicContact CB-CD1 3.93Å; L329-L333 HydrophobicContact CD1-CD1 4.47Å; L329-L333 HydrophobicContact CD2-CD1 3.99Å; L329-L333 HydrophobicContact CG-CD1 4.34Å; P330-L333 HydrophobicContact CB-CD1 4.24Å; P330-L333 HydrophobicContact CG-CD1 4.08Å; P330-L333 WeakPolarHBondContact O-CB 3.4Å; P330-L333 PolarHBondContact O-N 3.25Å; T331-L333 VanDerWaalsContact C-N 3.33Å; L333-D337 HydrophobicContact CB-CB 4.27Å; L333-D337 HydrophobicContact CD2-CB 3.86Å
334	S	82.3	Confident	83.6	Confident	45 Å²	45	48.6 Å²	48.6	32%	0.315	28%	0.281	S	S	.	.			trans	-78.8	166.8	173.3	66.5	0	0	0	0	111.4	E336 D337 A338	S334-E336 PolarHBondContact O-N 2.89Å; S334-D337 WeakPolarHBondContact O-CB 3.22Å; S334-D337 PolarHBondContact O-N 3.32Å; S334-D337 VanDerWaalsContact O-N 3.09Å; S334-D337 PolarHBondContact OG-N 2.89Å; S334-A338 PolarHBondContact O-N 3.14Å
335	V	81.6	Confident	83.4	Confident	91 Å²	91	47.1 Å²	47.1	55%	0.552	27%	0.273	S	S	*	.	H	α-helix	trans	-58.2	-38.9	172.4	-173.5	0	0	0	0	111	D337 A338 A339 D360 T361	V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 3.18Å; V335-A338 WeakPolarHBondContact O-CB 3.34Å; V335-A338 PolarHBondContact O-N 3.46Å; V335-A339 PolarHBondContact O-N 3.35Å; V335-D360 HydrophobicContact CG1-CB 4.45Å; V335-T361 HydrophobicContact CG1-CG2 3.89Å
336	E	82.3	Confident	83.2	Confident	102 Å²	102	48.9 Å²	48.9	48%	0.477	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-37.8	175	-61.9	178.1	164.6	0	0	112.6	K297 S334 A339 I340	K297-E336 WeakPolarHBondContact CD-OE2 3.32Å; K297-E336 WeakPolarHBondContact CE-OE2 3.34Å; K297-E336 IonicContact NZ-OE1 3.66Å; K297-E336 PolarHBondContact NZ-OE1 3.49Å; K297-E336 IonicContact NZ-OE2 3.68Å; K297-E336 PolarHBondContact NZ-OE2 3.44Å; S334-E336 PolarHBondContact O-N 2.89Å; E336-A339 WeakPolarHBondContact O-CB 3.42Å; E336-A339 PolarHBondContact O-N 3.15Å; E336-I340 VanDerWaalsContact O-CG1 3.3Å; E336-I340 WeakPolarHBondContact O-CG1 3.49Å; E336-I340 PolarHBondContact O-N 2.91Å
337	D	85.9	Confident	83	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.5	-39.4	177.3	-79.5	-14.1	0	0	0	111.3	L296 K297 A298 L333 S334 V335 A339 I340 L341	L296-D337 HydrophobicContact CB-CB 4.07Å; L296-D337 VanDerWaalsContact CB-OD1 3.29Å; L296-D337 WeakPolarHBondContact CB-OD1 3.48Å; L296-D337 HydrophobicContact CD1-CB 3.93Å; K297-D337 WeakPolarHBondContact CA-OD1 3.2Å; K297-D337 WeakPolarHBondContact CB-OD1 3.09Å; K297-D337 PolarHBondContact N-OD1 3.37Å; A298-D337 WeakPolarHBondContact CB-OD2 3.15Å; A298-D337 PolarHBondContact N-OD1 3.36Å; A298-D337 PolarHBondContact N-OD2 3.44Å; A298-D337 VanDerWaalsContact N-OD2 3.07Å; L333-D337 HydrophobicContact CB-CB 4.27Å; L333-D337 HydrophobicContact CD2-CB 3.86Å; S334-D337 WeakPolarHBondContact O-CB 3.22Å; S334-D337 PolarHBondContact O-N 3.32Å; S334-D337 VanDerWaalsContact O-N 3.09Å; S334-D337 PolarHBondContact OG-N 2.89Å; V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 3.18Å; D337-A339 VanDerWaalsContact C-N 3.34Å; D337-I340 PolarHBondContact O-N 3.39Å; D337-L341 WeakPolarHBondContact O-CB 3.4Å; D337-L341 PolarHBondContact O-N 3.29Å
338	A	85	Confident	82.6	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-43.5	171.8	0	0	0	0	0	111.2	I325 L329 S334 V335 I340 L341 L342 T361	I325-A338 HydrophobicContact CD1-CB 4Å; L329-A338 HydrophobicContact CD1-CB 3.44Å; L329-A338 VanDerWaalsContact CD1-CB 3.44Å; S334-A338 PolarHBondContact O-N 3.14Å; V335-A338 WeakPolarHBondContact O-CB 3.34Å; V335-A338 PolarHBondContact O-N 3.46Å; A338-I340 PolarHBondContact O-N 3.2Å; A338-L341 PolarHBondContact O-N 3.4Å; A338-L342 WeakPolarHBondContact O-CB 3.4Å; A338-L342 PolarHBondContact O-N 3.22Å; A338-T361 HydrophobicContact CB-CG2 3.97Å
339	A	84.8	Confident	82.2	Confident	22 Å²	22	50 Å²	50	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-47.1	177	0	0	0	0	0	112.6	V335 E336 D337 L341 L342 Q343 D360	V335-A339 PolarHBondContact O-N 3.35Å; E336-A339 WeakPolarHBondContact O-CB 3.42Å; E336-A339 PolarHBondContact O-N 3.15Å; D337-A339 VanDerWaalsContact C-N 3.34Å; A339-L341 VanDerWaalsContact C-N 3.34Å; A339-L341 PolarHBondContact O-N 3.05Å; A339-L342 PolarHBondContact O-N 3.15Å; A339-Q343 WeakPolarHBondContact O-CB 3.43Å; A339-Q343 PolarHBondContact O-N 3.03Å; A339-D360 WeakPolarHBondContact CA-O 3.26Å; A339-D360 HydrophobicContact CB-CB 3.72Å
340	I	85.6	Confident	81.2	Confident	66 Å²	66	53.5 Å²	53.5	34%	0.338	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-42.5	179.2	-66.4	163.9	0	0	0	110.4	L296 E336 D337 A338 Q343 Q344	L296-I340 HydrophobicContact CD2-CB 3.94Å; L296-I340 HydrophobicContact CD2-CG2 3.61Å; E336-I340 VanDerWaalsContact O-CG1 3.3Å; E336-I340 WeakPolarHBondContact O-CG1 3.49Å; E336-I340 PolarHBondContact O-N 2.91Å; D337-I340 PolarHBondContact O-N 3.39Å; A338-I340 PolarHBondContact O-N 3.2Å; I340-Q343 PolarHBondContact O-N 3.47Å; I340-Q344 PolarHBondContact O-N 2.96Å; I340-Q344 VanDerWaalsContact O-N 3.11Å
341	L	85.7	Confident	80.3	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-46.9	177.2	-174.8	144.8	0	0	0	110.7	L294 L296 V301 V309 L329 D337 A338 A339 Q343 Q344 V345	L294-L341 HydrophobicContact CD2-CB 4.35Å; L294-L341 HydrophobicContact CD2-CG 4.27Å; L296-L341 HydrophobicContact CD2-CB 4.3Å; V301-L341 HydrophobicContact CB-CD1 4.49Å; V301-L341 HydrophobicContact CG1-CD1 4.11Å; V301-L341 HydrophobicContact CG2-CD1 4.38Å; V309-L341 HydrophobicContact CB-CD2 3.84Å; V309-L341 HydrophobicContact CG1-CD2 3.62Å; V309-L341 HydrophobicContact CG2-CD2 3.73Å; L329-L341 HydrophobicContact CD2-CD1 4.23Å; D337-L341 WeakPolarHBondContact O-CB 3.4Å; D337-L341 PolarHBondContact O-N 3.29Å; A338-L341 PolarHBondContact O-N 3.4Å; A339-L341 VanDerWaalsContact C-N 3.34Å; A339-L341 PolarHBondContact O-N 3.05Å; L341-Q343 PolarHBondContact O-N 2.98Å; L341-Q344 PolarHBondContact O-N 2.98Å; L341-V345 HydrophobicContact CD2-CG2 4.29Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 3.37Å
342	L	84.9	Confident	79.2	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-42.1	179.1	-163.4	56.6	0	0	0	112.2	V309 V313 I325 A338 A339 Q344 V345 M346 V357 V363	V309-L342 HydrophobicContact CG1-CD1 4.46Å; V313-L342 HydrophobicContact CG2-CD1 4.14Å; I325-L342 HydrophobicContact CD1-CB 3.91Å; I325-L342 HydrophobicContact CD1-CD1 4.03Å; I325-L342 HydrophobicContact CD1-CD2 4.15Å; I325-L342 HydrophobicContact CD1-CG 4.27Å; I325-L342 HydrophobicContact CG1-CD2 4.43Å; I325-L342 HydrophobicContact CG2-CD1 4.12Å; A338-L342 WeakPolarHBondContact O-CB 3.4Å; A338-L342 PolarHBondContact O-N 3.22Å; A339-L342 PolarHBondContact O-N 3.15Å; L342-Q344 VanDerWaalsContact C-N 3.25Å; L342-Q344 PolarHBondContact O-N 3.26Å; L342-V345 PolarHBondContact O-N 3.37Å; L342-M346 HydrophobicContact CG-CG 4.39Å; L342-M346 WeakPolarHBondContact O-CB 3.03Å; L342-M346 WeakPolarHBondContact O-CG 3.28Å; L342-M346 PolarHBondContact O-N 3.4Å; L342-V357 HydrophobicContact CD2-CB 4.43Å; L342-V357 HydrophobicContact CD2-CG1 3.5Å; L342-V357 HydrophobicContact CD2-CG2 4.06Å; L342-V357 HydrophobicContact CG-CG1 4.46Å; L342-V357 HydrophobicContact CG-CG2 4.29Å; L342-V363 HydrophobicContact CD1-CG2 3.45Å; L342-V363 VanDerWaalsContact CD1-CG2 3.45Å; L342-V363 HydrophobicContact CD2-CG2 3.7Å; L342-V363 HydrophobicContact CG-CG2 3.94Å
343	Q	84.9	Confident	78.3	Confident	118 Å²	118	63.2 Å²	63.2	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-60	-38.1	175.7	-169.2	-176.9	38.2	0	0	111.7	A339 I340 L341 R347	A339-Q343 WeakPolarHBondContact O-CB 3.43Å; A339-Q343 PolarHBondContact O-N 3.03Å; I340-Q343 PolarHBondContact O-N 3.47Å; L341-Q343 PolarHBondContact O-N 2.98Å; Q343-R347 WeakPolarHBondContact O-CG 3.3Å; Q343-R347 PolarHBondContact O-N 3.16Å
344	Q	83.6	Confident	77.7	Confident	84 Å²	84	63.9 Å²	63.9	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-69.8	-40.7	177.5	-174.8	65.1	5.5	0	0	111.9	L294 I340 L341 L342 R347	L294-Q344 HydrophobicContact CD1-CB 4.49Å; L294-Q344 HydrophobicContact CD1-CG 4.03Å; L294-Q344 HydrophobicContact CD2-CB 4.34Å; L294-Q344 HydrophobicContact CD2-CG 4.42Å; I340-Q344 PolarHBondContact O-N 2.96Å; I340-Q344 VanDerWaalsContact O-N 3.11Å; L341-Q344 PolarHBondContact O-N 2.98Å; L342-Q344 VanDerWaalsContact C-N 3.25Å; L342-Q344 PolarHBondContact O-N 3.26Å; Q344-R347 WeakPolarHBondContact O-CB 3.22Å; Q344-R347 PolarHBondContact O-N 2.94Å
345	V	83.8	Confident	77.5	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-46.8	174.6	172.8	0	0	0	0	110.6	V306 V309 E310 L341 L342 R347 A348 F349	V306-V345 HydrophobicContact CG1-CG2 4.02Å; V309-V345 HydrophobicContact CG1-CG2 4.26Å; E310-V345 HydrophobicContact CB-CG1 4.07Å; E310-V345 HydrophobicContact CG-CG1 4.36Å; L341-V345 HydrophobicContact CD2-CG2 4.29Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 3.37Å; L342-V345 PolarHBondContact O-N 3.37Å; V345-R347 PolarHBondContact O-N 3.43Å; V345-R347 VanDerWaalsContact O-N 3.16Å; V345-A348 VanDerWaalsContact O-CB 3.27Å; V345-A348 WeakPolarHBondContact O-CB 3.43Å; V345-A348 PolarHBondContact O-N 2.96Å; V345-F349 HydrophobicContact CG1-CD2 4.03Å; V345-F349 HydrophobicContact CG1-CE2 3.66Å; V345-F349 VanDerWaalsContact O-CD2 3.31Å; V345-F349 WeakPolarHBondContact O-CD2 3.41Å
346	M	80.9	Confident	77.5	Confident	37 Å²	37	60.4 Å²	60.4	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-26.2	178.5	-71.9	-61.7	-66.5	0	0	113.5	V313 L342 A348 F349 S350 A355 V357 V363	V313-M346 HydrophobicContact CG1-SD 4.31Å; L342-M346 HydrophobicContact CG-CG 4.39Å; L342-M346 WeakPolarHBondContact O-CB 3.03Å; L342-M346 WeakPolarHBondContact O-CG 3.28Å; L342-M346 PolarHBondContact O-N 3.4Å; M346-A348 VanDerWaalsContact C-N 3.29Å; M346-A348 PolarHBondContact O-N 2.79Å; M346-F349 CarbonylContact O-C 3.28Å; M346-F349 PolarHBondContact O-N 3.03Å; M346-S350 PolarHBondContact O-N 2.85Å; M346-A355 HydrophobicContact CE-CB 3.89Å; M346-A355 HydrophobicContact SD-CB 4.49Å; M346-V357 HydrophobicContact CE-CG2 4.23Å; M346-V357 HydrophobicContact CG-CG2 3.87Å; M346-V357 HydrophobicContact SD-CG2 4.28Å; M346-V363 HydrophobicContact SD-CG1 4.33Å
347	R	81.4	Confident	77.5	Confident	147 Å²	147	58.2 Å²	58.2	56%	0.555	32%	0.319	S	S	*	.	H	α-helix	trans	-63.1	-35.1	171.6	-77.6	172.2	-178.9	170.1	0.8	112.3	Q343 Q344 V345 F349 S350	Q343-R347 WeakPolarHBondContact O-CG 3.3Å; Q343-R347 PolarHBondContact O-N 3.16Å; Q344-R347 WeakPolarHBondContact O-CB 3.22Å; Q344-R347 PolarHBondContact O-N 2.94Å; V345-R347 PolarHBondContact O-N 3.43Å; V345-R347 VanDerWaalsContact O-N 3.16Å; R347-F349 VanDerWaalsContact C-N 3.3Å; R347-S350 WeakPolarHBondContact O-CB 3.23Å; R347-S350 PolarHBondContact O-N 2.86Å; R347-S350 PolarHBondContact O-OG 3.04Å
348	A	76.4	Confident	77.1	Confident	62 Å²	62	58.6 Å²	58.6	51%	0.512	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-39.1	174.7	0	0	0	0	0	111	V345 M346	V345-A348 VanDerWaalsContact O-CB 3.27Å; V345-A348 WeakPolarHBondContact O-CB 3.43Å; V345-A348 PolarHBondContact O-N 2.96Å; M346-A348 VanDerWaalsContact C-N 3.29Å; M346-A348 PolarHBondContact O-N 2.79Å
349	F	72.4	Confident	76.4	Confident	18 Å²	18	59 Å²	59	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-85.2	-5.1	179.2	-62.6	-74.3	0	0	0	115.2	E310 V313 E314 V345 M346 R347 K351 Q352	E310-F349 HydrophobicContact CG-CE2 3.66Å; E310-F349 HydrophobicContact CG-CZ 3.56Å; V313-F349 HydrophobicContact CB-CE2 4.48Å; V313-F349 HydrophobicContact CG1-CD2 4.23Å; V313-F349 HydrophobicContact CG1-CE2 4.09Å; E314-F349 HydrophobicContact CB-CE1 4.11Å; E314-F349 HydrophobicContact CB-CZ 3.99Å; E314-F349 HydrophobicContact CG-CE1 4.31Å; V345-F349 HydrophobicContact CG1-CD2 4.03Å; V345-F349 HydrophobicContact CG1-CE2 3.66Å; V345-F349 VanDerWaalsContact O-CD2 3.31Å; V345-F349 WeakPolarHBondContact O-CD2 3.41Å; M346-F349 CarbonylContact O-C 3.28Å; M346-F349 PolarHBondContact O-N 3.03Å; R347-F349 VanDerWaalsContact C-N 3.3Å; F349-K351 PolarHBondContact O-N 3.21Å; F349-Q352 CarbonylContact O-C 3.53Å; F349-Q352 WeakPolarHBondContact O-CA 3.2Å; F349-Q352 PolarHBondContact O-N 3.45Å
350	S	62.8	Low	76.1	Confident	90 Å²	90	62.6 Å²	62.6	63%	0.629	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-15	-177.3	62.8	0	0	0	0	115.8	M346 R347	M346-S350 PolarHBondContact O-N 2.85Å; R347-S350 WeakPolarHBondContact O-CB 3.23Å; R347-S350 PolarHBondContact O-N 2.86Å; R347-S350 PolarHBondContact O-OG 3.04Å
351	K	63.1	Low	75.8	Confident	201 Å²	201	60.3 Å²	60.3	87%	0.874	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-17.2	173.6	-65.6	-179.4	-177.5	173.5	0	113.7	F349	F349-K351 PolarHBondContact O-N 3.21Å
352	Q	58	Low	75.7	Confident	124 Å²	124	60.3 Å²	60.3	58%	0.579	33%	0.328	S	S	*	.	S	Bend	trans	-115.6	93.7	177.4	-68.4	174.3	-13.5	0	0	107	F349 S354	F349-Q352 CarbonylContact O-C 3.53Å; F349-Q352 WeakPolarHBondContact O-CA 3.2Å; F349-Q352 PolarHBondContact O-N 3.45Å; Q352-S354 PolarHBondContact O-N 2.71Å; Q352-S354 PolarHBondContact O-OG 2.9Å
353	A	57	Low	75.7	Confident	91 Å²	91	60.2 Å²	60.2	75%	0.752	33%	0.328	S	S	*	.			trans	-74.7	52.2	-170.7	0	0	0	0	0	113.5
354	S	68.4	Low	75.6	Confident	34 Å²	34	54.6 Å²	54.6	24%	0.238	30%	0.302	C	S	.	.			trans	-115.1	10.5	-169.4	48.4	0	0	0	0	114.9	I317 Q352 S365 E366	I317-S354 WeakPolarHBondContact CG2-OG 3.46Å; Q352-S354 PolarHBondContact O-N 2.71Å; Q352-S354 PolarHBondContact O-OG 2.9Å; S354-S365 CarbonylContact O-C 3.58Å; S354-S365 VanDerWaalsContact O-CA 3.31Å; S354-S365 WeakPolarHBondContact O-CA 3.44Å; S354-E366 PolarHBondContact O-N 3.43Å
355	A	79.1	Confident	75.8	Confident	21 Å²	21	50.7 Å²	50.7	17%	0.174	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	145	179.3	0	0	0	0	0	114.1	I317 M346 V363 V364	I317-A355 HydrophobicContact CD1-CB 3.71Å; I317-A355 HydrophobicContact CG1-CB 3.8Å; M346-A355 HydrophobicContact CE-CB 3.89Å; M346-A355 HydrophobicContact SD-CB 4.49Å; A355-V363 HydrophobicContact CB-CG1 3.75Å; A355-V364 CarbonylContact C-O 3.59Å; A355-V364 VanDerWaalsContact CA-O 3.26Å; A355-V364 WeakPolarHBondContact CA-O 3.3Å
356	V	80.6	Confident	75.8	Confident	42 Å²	42	55.5 Å²	55.5	26%	0.255	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.1	176.1	-177.4	0	0	0	0	108.5	F358 V364 I369	V356-F358 HydrophobicContact CB-CE2 3.88Å; V356-F358 HydrophobicContact CB-CZ 4.44Å; V356-F358 HydrophobicContact CG1-CD2 4.22Å; V356-F358 HydrophobicContact CG1-CE2 3.64Å; V356-F358 HydrophobicContact CG1-CZ 3.85Å; V356-V364 PolarHBondContact N-O 2.89Å; V356-V364 PolarHBondContact O-N 2.85Å; V356-I369 HydrophobicContact CB-CD1 4.12Å; V356-I369 HydrophobicContact CG2-CD1 3.89Å
357	V	82.4	Confident	75.9	Confident	57 Å²	57	59.5 Å²	59.5	35%	0.345	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.1	177.6	179.6	0	0	0	0	109.3	L342 M346 V362 V363	L342-V357 HydrophobicContact CD2-CB 4.43Å; L342-V357 HydrophobicContact CD2-CG1 3.5Å; L342-V357 HydrophobicContact CD2-CG2 4.06Å; L342-V357 HydrophobicContact CG-CG1 4.46Å; L342-V357 HydrophobicContact CG-CG2 4.29Å; M346-V357 HydrophobicContact CE-CG2 4.23Å; M346-V357 HydrophobicContact CG-CG2 3.87Å; M346-V357 HydrophobicContact SD-CG2 4.28Å; V357-V362 CarbonylContact C-O 3.43Å; V357-V362 WeakPolarHBondContact CA-O 3.48Å; V357-V363 HydrophobicContact CG2-CG2 4.35Å
358	F	78.6	Confident	76.1	Confident	8 Å²	8	54 Å²	54	4%	0.035	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148	176.1	-67	-87.8	0	0	0	110.1	V356 D360 T361 V362 V364 I369 F497 E500 L501 Y504	V356-F358 HydrophobicContact CB-CE2 3.88Å; V356-F358 HydrophobicContact CB-CZ 4.44Å; V356-F358 HydrophobicContact CG1-CD2 4.22Å; V356-F358 HydrophobicContact CG1-CE2 3.64Å; V356-F358 HydrophobicContact CG1-CZ 3.85Å; F358-D360 PolarHBondContact O-N 3.47Å; F358-T361 PolarHBondContact O-N 3.44Å; F358-V362 HydrophobicContact CB-CB 4.44Å; F358-V362 PolarHBondContact N-O 2.78Å; F358-V362 PolarHBondContact O-N 3.21Å; F358-V364 HydrophobicContact CD2-CB 3.96Å; F358-V364 HydrophobicContact CD2-CG2 3.47Å; F358-V364 VanDerWaalsContact CD2-CG2 3.47Å; F358-V364 HydrophobicContact CE2-CB 3.87Å; F358-V364 HydrophobicContact CE2-CG2 3.8Å; F358-I369 HydrophobicContact CE2-CD1 4.22Å; F358-I369 HydrophobicContact CZ-CD1 4.39Å; F358-F497 HydrophobicContact CB-CD2 3.63Å; F358-F497 HydrophobicContact CB-CE2 3.93Å; F358-F497 HydrophobicContact CD2-CD2 4.45Å; F358-F497 AromaticContact CD2-CE2 3.87Å; F358-F497 HydrophobicContact CD2-CE2 3.87Å; F358-F497 HydrophobicContact CG-CD2 4.05Å; F358-F497 AromaticContact CG-CE2 3.9Å; F358-F497 HydrophobicContact CG-CE2 3.9Å; F358-E500 HydrophobicContact CD1-CB 3.96Å; F358-L501 HydrophobicContact CE1-CD1 4.32Å; F358-L501 HydrophobicContact CE2-CD1 4.23Å; F358-L501 HydrophobicContact CZ-CD1 3.87Å; F358-Y504 HydrophobicContact CE1-CD2 4.24Å; F358-Y504 AromaticContact CE1-CG 3.91Å; F358-Y504 HydrophobicContact CE1-CG 3.91Å; F358-Y504 HydrophobicContact CZ-CD1 4.08Å; F358-Y504 HydrophobicContact CZ-CD2 4.28Å; F358-Y504 AromaticContact CZ-CG 3.89Å; F358-Y504 HydrophobicContact CZ-CG 3.89Å
359	S	70.3	Confident	76.4	Confident	12 Å²	12	51.6 Å²	51.6	8%	0.084	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	32.1	176.9	-51.1	0	0	0	0	113.9	T361 E500	S359-T361 PolarHBondContact O-N 2.88Å; S359-T361 PolarHBondContact O-OG1 3.3Å; S359-E500 VanDerWaalsContact CA-OE1 3.23Å; S359-E500 WeakPolarHBondContact CA-OE1 3.42Å; S359-E500 WeakPolarHBondContact CB-OE1 3.4Å; S359-E500 PolarHBondContact N-OE1 2.74Å; S359-E500 PolarHBondContact N-OE2 3.38Å; S359-E500 PolarHBondContact OG-OE1 3.29Å; S359-E500 PolarHBondContact OG-OE2 3.24Å
360	D	77.8	Confident	77	Confident	97 Å²	97	54.9 Å²	54.9	52%	0.519	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	0.3	-178.1	-67.8	-33.7	0	0	0	116.6	V335 A339 F358	V335-D360 HydrophobicContact CG1-CB 4.45Å; A339-D360 WeakPolarHBondContact CA-O 3.26Å; A339-D360 HydrophobicContact CB-CB 3.72Å; F358-D360 PolarHBondContact O-N 3.47Å
361	T	79.4	Confident	78	Confident	18 Å²	18	54.9 Å²	54.9	11%	0.11	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-16.4	-168.4	50.6	0	0	0	0	113.5	I325 V335 A338 F358 S359	I325-T361 WeakPolarHBondContact CG1-O 3.45Å; I325-T361 PolarHBondContact N-O 3.01Å; V335-T361 HydrophobicContact CG1-CG2 3.89Å; A338-T361 HydrophobicContact CB-CG2 3.97Å; F358-T361 PolarHBondContact O-N 3.44Å; S359-T361 PolarHBondContact O-N 2.88Å; S359-T361 PolarHBondContact O-OG1 3.3Å
362	V	83.7	Confident	78.9	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	-177.4	-175.5	0	0	0	0	109.6	W322 V323 D324 V357 F358 V364 F497	W322-V362 HydrophobicContact CE3-CG1 4.04Å; V323-V362 WeakPolarHBondContact O-CA 3.46Å; D324-V362 HydrophobicContact CB-CG2 4.16Å; V357-V362 CarbonylContact C-O 3.43Å; V357-V362 WeakPolarHBondContact CA-O 3.48Å; F358-V362 HydrophobicContact CB-CB 4.44Å; F358-V362 PolarHBondContact N-O 2.78Å; F358-V362 PolarHBondContact O-N 3.21Å; V362-V364 HydrophobicContact CG1-CG2 4.05Å; V362-F497 HydrophobicContact CB-CD2 4.17Å; V362-F497 HydrophobicContact CB-CG 4.45Å; V362-F497 HydrophobicContact CG1-CD1 4.4Å; V362-F497 HydrophobicContact CG1-CD2 3.88Å; V362-F497 HydrophobicContact CG1-CE1 4.46Å; V362-F497 HydrophobicContact CG1-CE2 3.98Å; V362-F497 HydrophobicContact CG1-CG 4.12Å; V362-F497 HydrophobicContact CG1-CZ 4.26Å; V362-F497 HydrophobicContact CG2-CB 4.26Å; V362-F497 HydrophobicContact CG2-CG 4.35Å
363	V	84.9	Confident	80	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.6	171.3	-174.3	0	0	0	0	109.4	V313 W322 V323 L342 M346 A355 V357	V313-V363 HydrophobicContact CG1-CG1 4.09Å; V313-V363 HydrophobicContact CG2-CB 4.38Å; V313-V363 HydrophobicContact CG2-CG2 3.93Å; W322-V363 CarbonylContact C-O 3.49Å; W322-V363 VanDerWaalsContact CA-O 3.28Å; W322-V363 WeakPolarHBondContact CA-O 3.08Å; V323-V363 HydrophobicContact CG1-CB 4.15Å; V323-V363 PolarHBondContact N-O 3.22Å; V323-V363 PolarHBondContact O-N 3.42Å; L342-V363 HydrophobicContact CD1-CG2 3.45Å; L342-V363 VanDerWaalsContact CD1-CG2 3.45Å; L342-V363 HydrophobicContact CD2-CG2 3.7Å; L342-V363 HydrophobicContact CG-CG2 3.94Å; M346-V363 HydrophobicContact SD-CG1 4.33Å; A355-V363 HydrophobicContact CB-CG1 3.75Å; V357-V363 HydrophobicContact CG2-CG2 4.35Å
364	V	84.1	Confident	81.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.4	-179.7	-174.3	0	0	0	0	109.5	W322 A355 V356 F358 V362 F368 I369 F497	W322-V364 HydrophobicContact CB-CB 4.47Å; W322-V364 HydrophobicContact CB-CG1 4.41Å; W322-V364 HydrophobicContact CB-CG2 3.96Å; A355-V364 CarbonylContact C-O 3.59Å; A355-V364 VanDerWaalsContact CA-O 3.26Å; A355-V364 WeakPolarHBondContact CA-O 3.3Å; V356-V364 PolarHBondContact N-O 2.89Å; V356-V364 PolarHBondContact O-N 2.85Å; F358-V364 HydrophobicContact CD2-CB 3.96Å; F358-V364 HydrophobicContact CD2-CG2 3.47Å; F358-V364 VanDerWaalsContact CD2-CG2 3.47Å; F358-V364 HydrophobicContact CE2-CB 3.87Å; F358-V364 HydrophobicContact CE2-CG2 3.8Å; V362-V364 HydrophobicContact CG1-CG2 4.05Å; V364-F368 HydrophobicContact CG1-CB 3.99Å; V364-F368 HydrophobicContact CG1-CD1 3.5Å; V364-F368 HydrophobicContact CG1-CE1 4.43Å; V364-F368 HydrophobicContact CG1-CG 4.15Å; V364-I369 HydrophobicContact CG1-CD1 4.27Å; V364-I369 HydrophobicContact CG1-CG1 3.71Å; V364-F497 HydrophobicContact CG2-CD2 4.5Å; V364-F497 HydrophobicContact CG2-CE2 3.37Å; V364-F497 HydrophobicContact CG2-CZ 3.46Å; V364-F497 VanDerWaalsContact CG2-CZ 3.46Å
365	S	87.1	Confident	81.9	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	146.7	173.4	66.6	0	0	0	0	112.1	G320 T321 S354 K367 F368 I369	G320-S365 VanDerWaalsContact CA-OG 3.24Å; G320-S365 WeakPolarHBondContact CA-OG 3.5Å; G320-S365 PolarHBondContact O-OG 2.76Å; T321-S365 PolarHBondContact N-OG 2.89Å; T321-S365 WeakPolarHBondContact O-CB 3.3Å; T321-S365 PolarHBondContact O-N 2.73Å; T321-S365 PolarHBondContact O-OG 3.48Å; S354-S365 CarbonylContact O-C 3.58Å; S354-S365 VanDerWaalsContact O-CA 3.31Å; S354-S365 WeakPolarHBondContact O-CA 3.44Å; S365-K367 PolarHBondContact O-N 3.3Å; S365-F368 WeakPolarHBondContact O-CB 3.48Å; S365-F368 PolarHBondContact O-N 2.92Å; S365-F368 VanDerWaalsContact O-N 3.08Å; S365-F368 WeakPolarHBondContact OG-CB 3.46Å; S365-F368 PolarHBondContact OG-N 3.1Å; S365-I369 PolarHBondContact O-N 3.4Å
366	E	83.8	Confident	82.1	Confident	104 Å²	104	42.8 Å²	42.8	49%	0.486	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-30.3	177	-168.8	-179.4	-165.2	0	0	111.9	S354 I369 N370	S354-E366 PolarHBondContact O-N 3.43Å; E366-I369 PolarHBondContact O-N 3.19Å; E366-N370 PolarHBondContact O-N 2.75Å; E366-N370 PolarHBondContact O-ND2 3.47Å; E366-N370 VanDerWaalsContact O-ND2 3.1Å
367	K	82.8	Confident	82	Confident	121 Å²	121	47.6 Å²	47.6	53%	0.526	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-47	172.3	-68.3	-178.6	-174.7	168.1	0	111.5	S365 I369 N370 D371	S365-K367 PolarHBondContact O-N 3.3Å; K367-I369 VanDerWaalsContact C-N 3.31Å; K367-I369 PolarHBondContact O-N 3.1Å; K367-N370 WeakPolarHBondContact O-CB 3.47Å; K367-N370 PolarHBondContact O-N 2.94Å; K367-N370 VanDerWaalsContact O-N 3.14Å; K367-D371 VanDerWaalsContact O-CG 3.29Å; K367-D371 PolarHBondContact O-N 3.26Å
368	F	85.1	Confident	81.8	Confident	32 Å²	32	51.5 Å²	51.5	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-40.6	176.8	-172.6	-98.6	0	0	0	112.2	G320 W322 V364 S365 N370 D371 C372 I490	G320-F368 WeakPolarHBondContact O-CB 3.28Å; W322-F368 AromaticContact CD1-CE1 3.74Å; W322-F368 AromaticContact CD1-CE2 3.73Å; W322-F368 AromaticContact CD1-CZ 3.4Å; W322-F368 VanDerWaalsContact CD1-CZ 3.4Å; W322-F368 HydrophobicContact CG-CE1 4.44Å; W322-F368 HydrophobicContact CG-CZ 4.45Å; W322-F368 AromaticContact NE1-CZ 3.97Å; V364-F368 HydrophobicContact CG1-CB 3.99Å; V364-F368 HydrophobicContact CG1-CD1 3.5Å; V364-F368 HydrophobicContact CG1-CE1 4.43Å; V364-F368 HydrophobicContact CG1-CG 4.15Å; S365-F368 WeakPolarHBondContact O-CB 3.48Å; S365-F368 PolarHBondContact O-N 2.92Å; S365-F368 VanDerWaalsContact O-N 3.08Å; S365-F368 WeakPolarHBondContact OG-CB 3.46Å; S365-F368 PolarHBondContact OG-N 3.1Å; F368-N370 VanDerWaalsContact C-N 3.31Å; F368-N370 PolarHBondContact O-N 3.39Å; F368-D371 PolarHBondContact O-N 3.18Å; F368-C372 WeakPolarHBondContact CE1-SG 3.32Å; F368-C372 WeakPolarHBondContact O-CB 3.42Å; F368-C372 PolarHBondContact O-N 3.14Å; F368-C372 PolarHBondContact O-SG 3.43Å; F368-C372 VanDerWaalsContact O-SG 3.36Å; F368-I490 HydrophobicContact CE1-CD1 4.13Å; F368-I490 HydrophobicContact CZ-CD1 4.02Å; F368-I490 HydrophobicContact CZ-CG1 4.28Å
369	I	84.2	Confident	81.9	Confident	11 Å²	11	53.7 Å²	53.7	6%	0.056	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-41.7	176.3	-62.4	175.4	0	0	0	110.9	V356 F358 V364 S365 E366 K367 C372 T373 Y504 L505	V356-I369 HydrophobicContact CB-CD1 4.12Å; V356-I369 HydrophobicContact CG2-CD1 3.89Å; F358-I369 HydrophobicContact CE2-CD1 4.22Å; F358-I369 HydrophobicContact CZ-CD1 4.39Å; V364-I369 HydrophobicContact CG1-CD1 4.27Å; V364-I369 HydrophobicContact CG1-CG1 3.71Å; S365-I369 PolarHBondContact O-N 3.4Å; E366-I369 PolarHBondContact O-N 3.19Å; K367-I369 VanDerWaalsContact C-N 3.31Å; K367-I369 PolarHBondContact O-N 3.1Å; I369-C372 PolarHBondContact O-N 2.83Å; I369-T373 PolarHBondContact O-N 2.83Å; I369-T373 PolarHBondContact O-OG1 3.32Å; I369-Y504 HydrophobicContact CD1-CE1 4.2Å; I369-Y504 HydrophobicContact CG2-CE1 4.2Å; I369-L505 HydrophobicContact CG2-CD2 3.87Å
370	N	84.4	Confident	82.3	Confident	87 Å²	87	53.3 Å²	53.3	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-44.1	176.5	-70	-36.7	0	0	0	111.7	E366 K367 F368 C372 T373 E374	E366-N370 PolarHBondContact O-N 2.75Å; E366-N370 PolarHBondContact O-ND2 3.47Å; E366-N370 VanDerWaalsContact O-ND2 3.1Å; K367-N370 WeakPolarHBondContact O-CB 3.47Å; K367-N370 PolarHBondContact O-N 2.94Å; K367-N370 VanDerWaalsContact O-N 3.14Å; F368-N370 VanDerWaalsContact C-N 3.31Å; F368-N370 PolarHBondContact O-N 3.39Å; N370-C372 VanDerWaalsContact C-N 3.34Å; N370-C372 PolarHBondContact O-N 3.03Å; N370-T373 CarbonylContact O-C 3.49Å; N370-T373 WeakPolarHBondContact O-CA 3.29Å; N370-T373 WeakPolarHBondContact O-CB 3.33Å; N370-T373 PolarHBondContact O-N 3.22Å; N370-E374 PolarHBondContact O-N 2.85Å
371	D	83.3	Confident	82.3	Confident	89 Å²	89	51.6 Å²	51.6	48%	0.476	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-42.9	176.8	-65.7	-13	0	0	0	111	K367 F368 T373 E374 L375	K367-D371 VanDerWaalsContact O-CG 3.29Å; K367-D371 PolarHBondContact O-N 3.26Å; F368-D371 PolarHBondContact O-N 3.18Å; D371-T373 VanDerWaalsContact C-N 3.3Å; D371-T373 PolarHBondContact O-N 3.1Å; D371-E374 WeakPolarHBondContact O-CB 3.38Å; D371-E374 PolarHBondContact O-N 2.89Å; D371-E374 VanDerWaalsContact O-N 3.15Å; D371-L375 PolarHBondContact O-N 3.22Å
372	C	82.7	Confident	82.2	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-40	172.3	-75.8	0	0	0	0	112.1	F368 I369 N370 E374 L375 F376 L505	F368-C372 WeakPolarHBondContact CE1-SG 3.32Å; F368-C372 WeakPolarHBondContact O-CB 3.42Å; F368-C372 PolarHBondContact O-N 3.14Å; F368-C372 PolarHBondContact O-SG 3.43Å; F368-C372 VanDerWaalsContact O-SG 3.36Å; I369-C372 PolarHBondContact O-N 2.83Å; N370-C372 VanDerWaalsContact C-N 3.34Å; N370-C372 PolarHBondContact O-N 3.03Å; C372-E374 VanDerWaalsContact C-N 3.33Å; C372-L375 WeakPolarHBondContact O-CB 3.33Å; C372-L375 PolarHBondContact O-N 2.88Å; C372-F376 WeakPolarHBondContact O-CD2 3.46Å; C372-L505 HydrophobicContact CB-CD1 4.35Å
373	T	81.6	Confident	81.9	Confident	24 Å²	24	57.3 Å²	57.3	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-36.6	176.1	-54.4	0	0	0	0	111.4	I369 N370 D371 L375 F376 L509	I369-T373 PolarHBondContact O-N 2.83Å; I369-T373 PolarHBondContact O-OG1 3.32Å; N370-T373 CarbonylContact O-C 3.49Å; N370-T373 WeakPolarHBondContact O-CA 3.29Å; N370-T373 WeakPolarHBondContact O-CB 3.33Å; N370-T373 PolarHBondContact O-N 3.22Å; D371-T373 VanDerWaalsContact C-N 3.3Å; D371-T373 PolarHBondContact O-N 3.1Å; T373-L375 VanDerWaalsContact C-N 3.33Å; T373-L375 PolarHBondContact O-N 3.43Å; T373-F376 PolarHBondContact O-N 2.96Å; T373-L509 HydrophobicContact CG2-CD2 3.95Å
374	E	82.1	Confident	81.4	Confident	123 Å²	123	57.3 Å²	57.3	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-65.5	-32.6	176.5	-70.8	-160.3	154.4	0	0	113.1	N370 D371 C372 F376 R377	N370-E374 PolarHBondContact O-N 2.85Å; D371-E374 WeakPolarHBondContact O-CB 3.38Å; D371-E374 PolarHBondContact O-N 2.89Å; D371-E374 VanDerWaalsContact O-N 3.15Å; C372-E374 VanDerWaalsContact C-N 3.33Å; E374-F376 PolarHBondContact O-N 2.8Å; E374-R377 WeakPolarHBondContact O-CB 3.33Å; E374-R377 PolarHBondContact O-N 3.5Å
375	L	82.4	Confident	80.8	Confident	67 Å²	67	62 Å²	62	35%	0.351	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-33	175.8	-63.3	174.6	0	0	0	112.5	D371 C372 T373 R377 F485 H489	D371-L375 PolarHBondContact O-N 3.22Å; C372-L375 WeakPolarHBondContact O-CB 3.33Å; C372-L375 PolarHBondContact O-N 2.88Å; T373-L375 VanDerWaalsContact C-N 3.33Å; T373-L375 PolarHBondContact O-N 3.43Å; L375-R377 VanDerWaalsContact C-N 3.33Å; L375-F485 HydrophobicContact CB-CE1 3.96Å; L375-H489 HydrophobicContact CD1-CB 4Å
376	F	82.9	Confident	80.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-81.2	-11.8	178.1	-67.7	-83.2	0	0	0	113.4	C372 T373 E374 E378 L379 M380 F476 I482 F485 L486 L509	C372-F376 WeakPolarHBondContact O-CD2 3.46Å; T373-F376 PolarHBondContact O-N 2.96Å; E374-F376 PolarHBondContact O-N 2.8Å; F376-E378 PolarHBondContact O-N 3.41Å; F376-L379 PolarHBondContact O-N 3.49Å; F376-M380 HydrophobicContact CB-CE 3.94Å; F376-M380 WeakPolarHBondContact O-CB 3.47Å; F376-M380 VanDerWaalsContact O-CG 3.28Å; F376-M380 WeakPolarHBondContact O-CG 3.41Å; F376-M380 PolarHBondContact O-N 3.11Å; F376-F476 HydrophobicContact CB-CE1 4.1Å; F376-F476 AromaticContact CD1-CE1 3.99Å; F376-F476 HydrophobicContact CD1-CE1 3.99Å; F376-F476 HydrophobicContact CG-CE1 4.39Å; F376-I482 HydrophobicContact CE1-CG2 4.33Å; F376-I482 HydrophobicContact CZ-CG2 3.82Å; F376-F485 AromaticContact CD1-CD1 3.86Å; F376-F485 HydrophobicContact CD1-CD1 3.86Å; F376-F485 HydrophobicContact CD1-CE1 4.12Å; F376-F485 HydrophobicContact CD1-CG 4.46Å; F376-F485 HydrophobicContact CE1-CB 3.9Å; F376-F485 AromaticContact CE1-CD1 3.25Å; F376-F485 HydrophobicContact CE1-CD1 3.25Å; F376-F485 AromaticContact CE1-CE1 3.95Å; F376-F485 HydrophobicContact CE1-CE1 3.95Å; F376-F485 AromaticContact CE1-CG 3.75Å; F376-F485 HydrophobicContact CE1-CG 3.75Å; F376-F485 HydrophobicContact CE2-CD1 4.08Å; F376-F485 HydrophobicContact CE2-CE1 4.45Å; F376-F485 HydrophobicContact CG-CE1 4.47Å; F376-F485 HydrophobicContact CZ-CB 4.23Å; F376-F485 AromaticContact CZ-CD1 3.38Å; F376-F485 HydrophobicContact CZ-CD1 3.38Å; F376-F485 HydrophobicContact CZ-CE1 4.12Å; F376-F485 HydrophobicContact CZ-CG 4.17Å; F376-L486 HydrophobicContact CE2-CD2 3.86Å; F376-L486 HydrophobicContact CE2-CG 4.35Å; F376-L486 HydrophobicContact CZ-CD2 4Å; F376-L486 HydrophobicContact CZ-CG 4.02Å; F376-L509 HydrophobicContact CB-CD2 3.74Å; F376-L509 HydrophobicContact CD2-CD1 4.07Å; F376-L509 HydrophobicContact CD2-CD2 3.69Å; F376-L509 HydrophobicContact CE2-CD1 4.17Å; F376-L509 HydrophobicContact CG-CD1 4.3Å; F376-L509 HydrophobicContact CG-CD2 3.84Å; F376-L509 HydrophobicContact CZ-CD1 4.45Å
377	R	79.1	Confident	79.3	Confident	143 Å²	143	66.1 Å²	66.1	54%	0.54	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-42.5	-173.3	-168.2	177.7	-179.6	177.3	1.5	112.3	E374 L375 M380 H381	E374-R377 WeakPolarHBondContact O-CB 3.33Å; E374-R377 PolarHBondContact O-N 3.5Å; L375-R377 VanDerWaalsContact C-N 3.33Å; R377-M380 WeakPolarHBondContact O-CB 3.43Å; R377-M380 PolarHBondContact O-N 3.21Å; R377-H381 PolarHBondContact O-CD2 3Å; R377-H381 PolarHBondContact O-N 2.85Å
378	E	78.6	Confident	78.4	Confident	138 Å²	138	62 Å²	62	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-67.2	-42	177.9	-165.5	-178.8	165.7	0	0	111.6	F376 M380 H381 Q382	F376-E378 PolarHBondContact O-N 3.41Å; E378-M380 VanDerWaalsContact C-N 3.34Å; E378-M380 PolarHBondContact O-N 3.23Å; E378-H381 PolarHBondContact O-N 2.9Å; E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 3.29Å; E378-Q382 PolarHBondContact OE1-NE2 2.8Å
379	L	79	Confident	77.2	Confident	55 Å²	55	68.5 Å²	68.5	29%	0.288	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-38.8	174.2	-70.1	-178.9	0	0	0	112.3	F376 Q382 K383 F476 F485	F376-L379 PolarHBondContact O-N 3.49Å; L379-Q382 PolarHBondContact O-N 3.22Å; L379-K383 VanDerWaalsContact O-CB 3.29Å; L379-K383 WeakPolarHBondContact O-CB 3.34Å; L379-K383 PolarHBondContact O-N 3.03Å; L379-F476 HydrophobicContact CB-CZ 4.15Å; L379-F485 HydrophobicContact CD1-CD2 3.61Å; L379-F485 HydrophobicContact CD1-CE1 4.27Å; L379-F485 HydrophobicContact CD1-CE2 3.29Å; L379-F485 HydrophobicContact CD1-CG 4.25Å; L379-F485 HydrophobicContact CD1-CZ 3.64Å; L379-F485 HydrophobicContact CG-CE2 4.33Å
380	M	80.5	Confident	75.9	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-46.4	173.1	-75.2	-178.5	-167.7	0	0	111.5	F376 R377 E378 K383 A384 F476 L509 Y513 V516	F376-M380 HydrophobicContact CB-CE 3.94Å; F376-M380 WeakPolarHBondContact O-CB 3.47Å; F376-M380 VanDerWaalsContact O-CG 3.28Å; F376-M380 WeakPolarHBondContact O-CG 3.41Å; F376-M380 PolarHBondContact O-N 3.11Å; R377-M380 WeakPolarHBondContact O-CB 3.43Å; R377-M380 PolarHBondContact O-N 3.21Å; E378-M380 VanDerWaalsContact C-N 3.34Å; E378-M380 PolarHBondContact O-N 3.23Å; M380-K383 PolarHBondContact O-N 3.31Å; M380-A384 WeakPolarHBondContact O-CB 3.4Å; M380-A384 PolarHBondContact O-N 3.32Å; M380-F476 VanDerWaalsContact CA-CE2 3.46Å; M380-F476 HydrophobicContact CB-CE2 4Å; M380-F476 HydrophobicContact CB-CZ 4.1Å; M380-F476 HydrophobicContact CE-CD1 3.78Å; M380-F476 HydrophobicContact CE-CE1 3.77Å; M380-F476 HydrophobicContact CE-CG 4.44Å; M380-F476 HydrophobicContact CE-CZ 4.42Å; M380-F476 HydrophobicContact CG-CD1 4.03Å; M380-F476 HydrophobicContact CG-CD2 3.86Å; M380-F476 HydrophobicContact CG-CE1 3.59Å; M380-F476 HydrophobicContact CG-CE2 3.44Å; M380-F476 VanDerWaalsContact CG-CE2 3.44Å; M380-F476 HydrophobicContact CG-CG 4.16Å; M380-F476 HydrophobicContact CG-CZ 3.27Å; M380-L509 HydrophobicContact CE-CB 3.74Å; M380-L509 HydrophobicContact CE-CD2 3.26Å; M380-L509 HydrophobicContact CE-CG 4.08Å; M380-L509 WeakPolarHBondContact CE-O 3.39Å; M380-Y513 HydrophobicContact CB-CD2 3.99Å; M380-Y513 HydrophobicContact CG-CD2 3.96Å; M380-V516 HydrophobicContact CB-CG1 4.32Å
381	H	77	Confident	74.1	Confident	62 Å²	62	74.5 Å²	74.5	29%	0.287	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-47.9	176.9	-83	-72	0	0	0	111.9	R377 E378 K383 A384 E385	R377-H381 PolarHBondContact O-CD2 3Å; R377-H381 PolarHBondContact O-N 2.85Å; E378-H381 PolarHBondContact O-N 2.9Å; H381-K383 PolarHBondContact O-N 2.71Å; H381-A384 PolarHBondContact O-N 3.43Å; H381-E385 WeakPolarHBondContact O-CG 3.44Å; H381-E385 PolarHBondContact O-N 2.87Å
382	Q	78.1	Confident	72.2	Confident	79 Å²	79	74.9 Å²	74.9	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-38.9	179.1	-68.3	179.6	21.4	0	0	112.7	E378 L379 K386	E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 3.29Å; E378-Q382 PolarHBondContact OE1-NE2 2.8Å; L379-Q382 PolarHBondContact O-N 3.22Å; Q382-K386 WeakPolarHBondContact O-CB 3.4Å; Q382-K386 VanDerWaalsContact O-CG 3.27Å; Q382-K386 WeakPolarHBondContact O-CG 3.35Å; Q382-K386 PolarHBondContact O-N 2.9Å; Q382-K386 VanDerWaalsContact O-N 3.11Å
383	K	77.1	Confident	70.4	Confident	59 Å²	59	80.5 Å²	80.5	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-70.2	-44.4	177.6	-168.7	170.8	-177.3	167.2	0	111.3	L379 M380 H381 E385 K386 E387 F476 Y513	L379-K383 VanDerWaalsContact O-CB 3.29Å; L379-K383 WeakPolarHBondContact O-CB 3.34Å; L379-K383 PolarHBondContact O-N 3.03Å; M380-K383 PolarHBondContact O-N 3.31Å; H381-K383 PolarHBondContact O-N 2.71Å; K383-E385 VanDerWaalsContact C-N 3.35Å; K383-E385 PolarHBondContact O-N 3.18Å; K383-K386 PolarHBondContact O-N 3.18Å; K383-E387 WeakPolarHBondContact CE-OE1 3.41Å; K383-E387 HydrophobicContact CG-CG 4.46Å; K383-E387 PolarHBondContact O-N 3.48Å; K383-F476 HydrophobicContact CB-CE2 4.19Å; K383-F476 HydrophobicContact CD-CD2 4.07Å; K383-F476 HydrophobicContact CD-CE2 3.98Å; K383-F476 WeakPolarHBondContact CD-O 3.5Å; K383-F476 WeakPolarHBondContact CE-O 3.28Å; K383-F476 PolarHBondContact NZ-O 3.05Å; K383-Y513 HydrophobicContact CB-CE2 4.35Å
384	A	73.8	Confident	68.7	Low	1 Å²	1	86.7 Å²	86.7	1%	0.008	42%	0.42	C	S	.	.	H	α-helix	trans	-58.5	-44.7	175.6	0	0	0	0	0	111.6	M380 H381 K386 E387 M388 Y513 V516 V517 V520	M380-A384 WeakPolarHBondContact O-CB 3.4Å; M380-A384 PolarHBondContact O-N 3.32Å; H381-A384 PolarHBondContact O-N 3.43Å; A384-K386 PolarHBondContact O-N 3.41Å; A384-E387 PolarHBondContact O-N 2.79Å; A384-M388 WeakPolarHBondContact O-CB 3.36Å; A384-M388 VanDerWaalsContact O-CG 3.26Å; A384-M388 WeakPolarHBondContact O-CG 3.27Å; A384-M388 PolarHBondContact O-N 3.45Å; A384-Y513 HydrophobicContact CB-CE2 4.05Å; A384-V516 HydrophobicContact CB-CG1 4.24Å; A384-V517 HydrophobicContact CB-CG2 3.83Å; A384-V520 HydrophobicContact CB-CB 4.5Å; A384-V520 HydrophobicContact CB-CG2 4.26Å
385	E	72.4	Confident	67.1	Low	99 Å²	99	82.9 Å²	82.9	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-64.1	-39.7	176.3	-74.7	-178.6	-175.2	0	0	113.3	H381 K383 K389 V520	H381-E385 WeakPolarHBondContact O-CG 3.44Å; H381-E385 PolarHBondContact O-N 2.87Å; K383-E385 VanDerWaalsContact C-N 3.35Å; K383-E385 PolarHBondContact O-N 3.18Å; E385-K389 WeakPolarHBondContact O-CG 3.5Å; E385-K389 PolarHBondContact O-N 3.32Å; E385-V520 HydrophobicContact CG-CG1 4.17Å
386	K	72.7	Confident	65.4	Low	131 Å²	131	82.7 Å²	82.7	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-68.5	-42.7	177.2	-76.4	173.7	-176.3	172	0	112	Q382 K383 A384 M388 K389 N390	Q382-K386 WeakPolarHBondContact O-CB 3.4Å; Q382-K386 VanDerWaalsContact O-CG 3.27Å; Q382-K386 WeakPolarHBondContact O-CG 3.35Å; Q382-K386 PolarHBondContact O-N 2.9Å; Q382-K386 VanDerWaalsContact O-N 3.11Å; K383-K386 PolarHBondContact O-N 3.18Å; A384-K386 PolarHBondContact O-N 3.41Å; K386-M388 VanDerWaalsContact C-N 3.33Å; K386-K389 PolarHBondContact O-N 3.18Å; K386-N390 PolarHBondContact O-N 3.11Å
387	E	66.5	Low	63.8	Low	60 Å²	60	86 Å²	86	28%	0.28	42%	0.423	S	S	.	.	H	α-helix	trans	-66.4	-35.8	177.3	-75.4	-171.1	172.2	0	0	111.8	K383 A384 N390 N391 Y513	K383-E387 WeakPolarHBondContact CE-OE1 3.41Å; K383-E387 HydrophobicContact CG-CG 4.46Å; K383-E387 PolarHBondContact O-N 3.48Å; A384-E387 PolarHBondContact O-N 2.79Å; E387-N390 PolarHBondContact O-N 3.06Å; E387-N391 PolarHBondContact O-N 3.24Å; E387-Y513 VanDerWaalsContact CD-OH 3.3Å; E387-Y513 PolarHBondContact OE2-OH 3.23Å
388	M	62.8	Low	62	Low	36 Å²	36	86.5 Å²	86.5	18%	0.177	43%	0.431	C	S	.	.	H	α-helix	trans	-65.1	-36.8	173.4	-77.2	-158.3	62.7	0	0	113.8	A384 K386 N390 V520 F521 S524	A384-M388 WeakPolarHBondContact O-CB 3.36Å; A384-M388 VanDerWaalsContact O-CG 3.26Å; A384-M388 WeakPolarHBondContact O-CG 3.27Å; A384-M388 PolarHBondContact O-N 3.45Å; K386-M388 VanDerWaalsContact C-N 3.33Å; M388-N390 VanDerWaalsContact C-N 3.33Å; M388-V520 HydrophobicContact SD-CB 4.16Å; M388-V520 HydrophobicContact SD-CG1 3.56Å; M388-V520 VanDerWaalsContact SD-CG1 3.56Å; M388-F521 HydrophobicContact CE-CD2 4.21Å; M388-F521 HydrophobicContact SD-CB 4.36Å; M388-S524 WeakPolarHBondContact CE-OG 3.36Å
389	K	61.1	Low	60.2	Low	167 Å²	167	85.3 Å²	85.3	73%	0.726	43%	0.426	S	S	*	.	H	α-helix	trans	-69.2	-31.6	175.4	-74.4	173.4	-177	172	0	112.7	E385 K386	E385-K389 WeakPolarHBondContact O-CG 3.5Å; E385-K389 PolarHBondContact O-N 3.32Å; K386-K389 PolarHBondContact O-N 3.18Å
390	N	55.5	Low	58.7	Low	133 Å²	133	84.8 Å²	84.8	71%	0.711	42%	0.423	S	S	*	.	H	α-helix	trans	-95.1	-26.7	-173.8	-71.1	-12.3	0	0	0	113.9	K386 E387 M388	K386-N390 PolarHBondContact O-N 3.11Å; E387-N390 PolarHBondContact O-N 3.06Å; M388-N390 VanDerWaalsContact C-N 3.33Å
391	N	46.1	Very low	57	Low	92 Å²	92	89.8 Å²	89.8	49%	0.492	45%	0.45	S	S	.	.			trans	-156.9	75.6	-173.2	-125.6	-18.2	0	0	0	115	E387 V393	E387-N391 PolarHBondContact O-N 3.24Å; N391-V393 PolarHBondContact O-N 3.14Å; N391-V393 VanDerWaalsContact O-N 3.16Å
392	P	44.7	Very low	55.4	Low	96 Å²	96	93.3 Å²	93.3	62%	0.623	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.5	-177.1	24.7	-31.7	0	0	0	115.7
393	V	43.8	Very low	53.7	Low	123 Å²	123	95.2 Å²	95.2	75%	0.745	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-12.5	-168.1	-177.7	0	0	0	0	114	N391	N391-V393 PolarHBondContact O-N 3.14Å; N391-V393 VanDerWaalsContact O-N 3.16Å
394	H	45.8	Very low	52	Low	153 Å²	153	96.7 Å²	96.7	71%	0.708	48%	0.483	S	S	*	.	S	Bend	trans	-107.8	-0.1	-166.9	-107.2	-60.8	0	0	0	117.3
395	L	48.5	Very low	50.3	Low	44 Å²	44	100.3 Å²	100.3	23%	0.23	51%	0.508	C	S	.	.	S	Bend	trans	-103.6	-2.1	-170.4	-75	158.2	0	0	0	115.5	I474	L395-I474 HydrophobicContact CB-CD1 4.42Å; L395-I474 HydrophobicContact CD2-CB 4.44Å; L395-I474 HydrophobicContact CD2-CD1 3.64Å; L395-I474 HydrophobicContact CD2-CG1 3.81Å; L395-I474 HydrophobicContact CD2-CG2 3.76Å; L395-I474 WeakPolarHBondContact O-CD1 3.43Å
396	I	47.3	Very low	48.6	Very low	63 Å²	63	99.7 Å²	99.7	32%	0.323	51%	0.511	S	S	.	.			trans	-131.6	119.6	-177.4	-57.3	-179.9	0	0	0	110	D400 L401 F521	I396-D400 HydrophobicContact CG2-CB 3.82Å; I396-L401 HydrophobicContact CG2-CD1 4.49Å; I396-L401 HydrophobicContact CG2-CG 4.13Å; I396-F521 HydrophobicContact CD1-CD1 3.72Å; I396-F521 HydrophobicContact CD1-CD2 3.87Å; I396-F521 HydrophobicContact CD1-CE1 3.31Å; I396-F521 HydrophobicContact CD1-CE2 3.47Å; I396-F521 VanDerWaalsContact CD1-CE2 3.47Å; I396-F521 HydrophobicContact CD1-CG 3.98Å; I396-F521 HydrophobicContact CD1-CZ 3.17Å
397	T	50.6	Low	46.9	Very low	68 Å²	68	99.7 Å²	99.7	42%	0.417	52%	0.517	S	S	.	.			trans	-86.1	154.2	170	59.2	0	0	0	0	110.5	E399 D400	T397-E399 PolarHBondContact O-N 3.47Å; T397-D400 PolarHBondContact O-N 2.89Å; T397-D400 PolarHBondContact OG1-OD2 2.76Å
398	E	40.2	Very low	45.3	Very low	155 Å²	155	101.7 Å²	101.7	72%	0.724	53%	0.526	S	S	*	.	H	α-helix	trans	-54.3	-17.6	178.7	-71.8	-172.2	155.7	0	0	114.3
399	E	41.7	Very low	43.7	Very low	112 Å²	112	103.5 Å²	103.5	52%	0.523	54%	0.542	S	S	.	.	H	α-helix	trans	-73.5	-34	174.9	-66.3	-170.1	145	0	0	112.8	T397 K402 Q403 K471	T397-E399 PolarHBondContact O-N 3.47Å; E399-K402 PolarHBondContact O-N 3.26Å; E399-Q403 PolarHBondContact O-N 3.25Å; E399-K471 IonicContact OE2-NZ 3.67Å; E399-K471 PolarHBondContact OE2-NZ 3.36Å
400	D	46.3	Very low	42.5	Very low	44 Å²	44	100.9 Å²	100.9	24%	0.235	54%	0.54	C	S	.	.	H	α-helix	trans	-69.9	-35	177.9	-71.3	-63	0	0	0	111.6	I396 T397 K402 Q403 I404 R518	I396-D400 HydrophobicContact CG2-CB 3.82Å; T397-D400 PolarHBondContact O-N 2.89Å; T397-D400 PolarHBondContact OG1-OD2 2.76Å; D400-K402 VanDerWaalsContact C-N 3.27Å; D400-K402 PolarHBondContact O-N 3.16Å; D400-Q403 PolarHBondContact O-N 3.23Å; D400-I404 VanDerWaalsContact O-CD1 3.29Å; D400-I404 WeakPolarHBondContact O-CD1 3.24Å; D400-I404 VanDerWaalsContact O-CG1 3.24Å; D400-I404 WeakPolarHBondContact O-CG1 3.49Å; D400-I404 PolarHBondContact O-N 3.04Å; D400-R518 IonicContact OD1-NH2 3.29Å; D400-R518 PolarHBondContact OD1-NH2 2.81Å
401	L	44.6	Very low	41.3	Very low	109 Å²	109	99.1 Å²	99.1	57%	0.571	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-27.3	172.5	-74	162.6	0	0	0	112.7	I396	I396-L401 HydrophobicContact CG2-CD1 4.49Å; I396-L401 HydrophobicContact CG2-CG 4.13Å
402	K	43.3	Very low	40.5	Very low	136 Å²	136	100.5 Å²	100.5	59%	0.591	55%	0.55	S	S	*	.	H	α-helix	trans	-81.6	-30	178.3	-74.7	174.7	-177.7	168.9	0	113.3	E399 D400 S405 T406	E399-K402 PolarHBondContact O-N 3.26Å; D400-K402 VanDerWaalsContact C-N 3.27Å; D400-K402 PolarHBondContact O-N 3.16Å; K402-S405 PolarHBondContact O-OG 3.41Å; K402-T406 PolarHBondContact O-OG1 3.25Å
403	Q	42.9	Very low	39.7	Very low	118 Å²	118	100.7 Å²	100.7	55%	0.551	55%	0.554	S	S	*	*	H	α-helix	trans	-75	-30.2	174.6	-70.9	-173.7	-1.8	0	0	112.3	E399 D400 T406 L407	E399-Q403 PolarHBondContact O-N 3.25Å; D400-Q403 PolarHBondContact O-N 3.23Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.44Å; Q403-T406 PolarHBondContact O-N 3.19Å; Q403-T406 PolarHBondContact O-OG1 2.89Å; Q403-L407 PolarHBondContact O-N 3.22Å
404	I	42.1	Very low	39.3	Very low	90 Å²	90	104.7 Å²	104.7	46%	0.462	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-37.9	175.5	-65.4	162.9	0	0	0	111.3	D400 T406 L407 E408	D400-I404 VanDerWaalsContact O-CD1 3.29Å; D400-I404 WeakPolarHBondContact O-CD1 3.24Å; D400-I404 VanDerWaalsContact O-CG1 3.24Å; D400-I404 WeakPolarHBondContact O-CG1 3.49Å; D400-I404 PolarHBondContact O-N 3.04Å; I404-T406 VanDerWaalsContact C-N 3.31Å; I404-T406 PolarHBondContact O-N 2.8Å; I404-L407 PolarHBondContact O-N 3.09Å; I404-E408 PolarHBondContact O-N 2.96Å
405	S	37.5	Very low	38.6	Very low	78 Å²	78	106.7 Å²	106.7	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-70.9	-23.8	177.4	66.7	0	0	0	0	113.7	K402	K402-S405 PolarHBondContact O-OG 3.41Å
406	T	36.2	Very low	37.8	Very low	86 Å²	86	112.4 Å²	112.4	53%	0.528	60%	0.598	S	S	.	*	H	α-helix	trans	-79.8	-34	176.2	4.2	0	0	0	0	112	K402 Q403 I404 S409	K402-T406 PolarHBondContact O-OG1 3.25Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.44Å; Q403-T406 PolarHBondContact O-N 3.19Å; Q403-T406 PolarHBondContact O-OG1 2.89Å; I404-T406 VanDerWaalsContact C-N 3.31Å; I404-T406 PolarHBondContact O-N 2.8Å; T406-S409 PolarHBondContact O-N 2.87Å; T406-S409 PolarHBondContact O-OG 2.88Å
407	L	37.3	Very low	37.1	Very low	131 Å²	131	119.6 Å²	119.6	69%	0.686	63%	0.627	S	S	*	*	H	α-helix	trans	-73.9	-31.9	177.7	-80.5	157.2	0	0	0	113.7	Q403 I404 S409 V410	Q403-L407 PolarHBondContact O-N 3.22Å; I404-L407 PolarHBondContact O-N 3.09Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 3.49Å; L407-V410 PolarHBondContact O-N 2.83Å
408	E	33.2	Very low	36.3	Very low	101 Å²	101	125.8 Å²	125.8	47%	0.472	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-17.7	174.6	-75.8	-167.2	150.3	0	0	113.8	I404 V410 R535	I404-E408 PolarHBondContact O-N 2.96Å; E408-V410 VanDerWaalsContact C-N 3.33Å; E408-R535 IonicContact OE1-CZ 3.41Å; E408-R535 IonicContact OE1-NH1 2.79Å; E408-R535 IonicContact OE1-NH2 2.9Å; E408-R535 PolarHBondContact OE1-NH2 3.34Å
409	S	29.5	Very low	35.9	Very low	75 Å²	75	125.9 Å²	125.9	52%	0.524	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-15.6	176.8	74.4	0	0	0	0	114.1	T406 L407	T406-S409 PolarHBondContact O-N 2.87Å; T406-S409 PolarHBondContact O-OG 2.88Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 3.49Å
410	V	36	Very low	35.4	Very low	111 Å²	111	129.8 Å²	129.8	67%	0.673	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-18.9	-175.4	-179.3	0	0	0	0	112.6	L407 E408	L407-V410 PolarHBondContact O-N 2.83Å; E408-V410 VanDerWaalsContact C-N 3.33Å
411	S	29.1	Very low	34.7	Very low	97 Å²	97	139.5 Å²	139.5	68%	0.678	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	6.7	-171.9	59.4	0	0	0	0	115.8
412	T	30.4	Very low	34.4	Very low	120 Å²	120	145.6 Å²	145.6	74%	0.736	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	10.3	173.5	45.5	0	0	0	0	115.1
413	S	28.2	Very low	34.1	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	74%	0.737	S	S	*	*			trans	-108.1	47.8	-178.7	-60.1	0	0	0	0	114.2
414	K	35.1	Very low	33.6	Very low	206 Å²	206	155.5 Å²	155.5	90%	0.896	76%	0.756	S	S	*	*			trans	-143.1	69.1	170	-82.8	-170.8	179.4	169.7	0	113.3
415	K	31.2	Very low	33	Very low	196 Å²	196	155.8 Å²	155.8	85%	0.852	77%	0.771	S	S	*	*	S	Bend	trans	176.6	104.2	137	-109.4	175.4	174.9	172.2	0	108.9
416	D	30.9	Very low	32.6	Very low	163 Å²	163	157.9 Å²	157.9	87%	0.872	78%	0.781	S	S	*	*			trans	169.5	87.3	135.5	-84.4	-23	0	0	0	108.2
417	K	32.1	Very low	32.2	Very low	214 Å²	214	162.7 Å²	162.7	93%	0.93	80%	0.797	S	S	*	*			trans	-146	66.8	168.1	-134.6	174.4	-170.3	170.7	0	109.6
418	K	33.9	Very low	31.7	Very low	198 Å²	198	159.8 Å²	159.8	86%	0.861	80%	0.799	S	S	*	*	S	Bend	trans	-144	66.4	166	-167.7	-174.9	178.2	-177.2	0	109.2
419	D	33.2	Very low	31.3	Very low	158 Å²	158	161.6 Å²	161.6	85%	0.845	82%	0.823	S	S	*	*	S	Bend	trans	-179.8	78.5	148.8	-102.2	-27	0	0	0	110.1
420	E	29.8	Very low	31.1	Very low	193 Å²	193	161.4 Å²	161.4	90%	0.902	83%	0.832	S	S	*	*			trans	-162.4	51.6	162.6	-152.5	102.7	-144.9	0	0	110.8
421	R	33.5	Very low	30.7	Very low	248 Å²	248	160.9 Å²	160.9	94%	0.936	83%	0.834	S	S	*	*			trans	-140.6	62.1	170.1	-114.7	-171.6	-170.1	-175.6	3.7	111
422	R	37.8	Very low	30.9	Very low	238 Å²	238	161.8 Å²	161.8	90%	0.898	84%	0.835	S	S	*	*	S	Bend	trans	-163	81.7	156.3	-112.5	178.9	-176.2	-170.6	1.2	109.7
423	R	36.8	Very low	30.8	Very low	245 Å²	245	167.7 Å²	167.7	93%	0.925	84%	0.844	S	S	*	*			trans	172.2	99.9	149.3	-95.5	160.4	-167.6	-142.6	5.4	108.5
424	K	32.3	Very low	30.7	Very low	217 Å²	217	166.4 Å²	166.4	94%	0.943	85%	0.846	S	S	*	*			trans	179.7	81.5	144.5	-99.5	172.2	-174.5	-173.2	0	108
425	A	29.2	Very low	30.2	Very low	95 Å²	95	160.7 Å²	160.7	79%	0.785	85%	0.846	S	S	*	*			trans	-138.7	79.1	160.6	0	0	0	0	0	105.9
426	T	28.8	Very low	30	Very low	122 Å²	122	155.4 Å²	155.4	75%	0.748	85%	0.847	S	S	*	*			trans	-167.1	129.2	159.5	-11.4	0	0	0	0	108.8
427	E	28.8	Very low	29.9	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	85%	0.846	S	S	*	*			trans	72.3	114.6	163.8	-63.3	167.3	-177.9	0	0	116.1
428	G	25.2	Very low	29.7	Very low	70 Å²	70	144.8 Å²	144.8	72%	0.722	84%	0.837	S	S	*	*			cis	110.8	122.4	18.4	0	0	0	0	0	109.8
429	S	25.5	Very low	29.4	Very low	139 Å²	139	143.4 Å²	143.4	97%	0.972	84%	0.839	S	S	*	*			trans	71.5	130.9	164.3	-126.2	0	0	0	0	115.5
430	G	26.3	Very low	29.2	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	84%	0.839	S	S	*	*			cis	171.2	172.8	12.4	0	0	0	0	0	103.6
431	S	27.4	Very low	29.2	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	84%	0.836	S	S	*	*			cis	-177.4	129.7	6.4	142.6	0	0	0	0	104.3
432	V	32.5	Very low	29	Very low	116 Å²	116	137.1 Å²	137.1	70%	0.703	82%	0.823	S	S	*	*				68.5	131.5	129.1	-173.6	0	0	0	0	117.1
433	R	29.3	Very low	28.5	Very low	244 Å²	244	135 Å²	135	92%	0.921	82%	0.816	S	S	*	*				-175.3	151.1	55.7	-135.3	149.4	-157.1	-170.2	2.3	107
434	G	25.3	Very low	28.1	Very low	74 Å²	74	133 Å²	133	76%	0.763	81%	0.814	S	S	*	*			cis	-176.4	151.7	6.3	0	0	0	0	0	108.7
435	G	25	Very low	28	Very low	86 Å²	86	129.7 Å²	129.7	89%	0.887	81%	0.805	S	S	*	*			trans	-95.4	163.4	166.6	0	0	0	0	0	111.1
436	G	27.4	Very low	28.2	Very low	85 Å²	85	135.2 Å²	135.2	88%	0.876	81%	0.812	S	S	*	*			trans	150.2	115.7	158.1	0	0	0	0	0	115
437	G	27.9	Very low	28.2	Very low	82 Å²	82	139 Å²	139	85%	0.845	82%	0.818	S	S	*	*			trans	113.6	87.1	135.5	0	0	0	0	0	118.7
438	G	28	Very low	28.3	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	82%	0.815	S	S	*	*				38.8	127.5	123.1	0	0	0	0	0	123.2
439	N	27.4	Very low	28.5	Very low	170 Å²	170	143.4 Å²	143.4	91%	0.909	83%	0.825	S	S	*	*			trans	71.8	113.8	147.8	-71	-4.7	0	0	0	120.2
440	A	29	Very low	28.8	Very low	101 Å²	101	146.6 Å²	146.6	84%	0.835	82%	0.821	S	S	*	*				178.6	128.7	110.4	0	0	0	0	0	112.8
441	R	30.4	Very low	29	Very low	224 Å²	224	153.2 Å²	153.2	85%	0.845	83%	0.831	S	S	*	*			trans	7.9	130.6	150.6	-76.5	177.7	177.2	165.4	-2.9	121.1
442	E	28.5	Very low	29.1	Very low	142 Å²	142	152 Å²	152	66%	0.664	83%	0.834	S	S	*	*				97.7	119.9	124	-79.5	-178.4	-162.9	0	0	122.9
443	Y	27.3	Very low	29	Very low	194 Å²	194	158.2 Å²	158.2	76%	0.761	84%	0.844	S	S	*	*			trans	52.3	115.5	149.5	-57.4	-72.2	0	0	0	121.8
444	K	28.6	Very low	29	Very low	202 Å²	202	155.8 Å²	155.8	88%	0.878	84%	0.84	S	S	*	*				-180	120.1	102.8	-98.1	172.6	-178.6	172.7	0	114.1
445	I	31.2	Very low	29.1	Very low	148 Å²	148	159.8 Å²	159.8	76%	0.759	84%	0.844	S	S	*	*			trans	-19.2	131.3	155.6	-58.3	157	0	0	0	116
446	K	31.9	Very low	29.3	Very low	211 Å²	211	162.6 Å²	162.6	92%	0.917	84%	0.839	S	S	*	*			trans	-151.3	132.9	135.8	-107.5	176	-173.2	-179.6	0	111.3
447	K	29.4	Very low	29.2	Very low	201 Å²	201	166.3 Å²	166.3	87%	0.874	84%	0.839	S	S	*	*			trans	-67.9	140.8	-163.9	-68.7	171.8	172.2	176	0	114.2
448	V	31.7	Very low	29.3	Very low	136 Å²	136	167.1 Å²	167.1	82%	0.824	83%	0.831	S	S	*	*			trans	-95	129.2	161.8	173.5	0	0	0	0	108.6
449	K	29.5	Very low	29.3	Very low	214 Å²	214	170.5 Å²	170.5	93%	0.93	83%	0.832	S	S	*	*			trans	-95.6	114.9	167.5	-111.7	-175.7	177.8	-178.8	0	108.7
450	K	31.8	Very low	29.2	Very low	206 Å²	206	169.5 Å²	169.5	90%	0.896	83%	0.827	S	S	*	*			trans	-82.9	131.9	169.6	-137.3	176.8	-176.4	179.5	0	107.7
451	K	30.4	Very low	29.1	Very low	210 Å²	210	172.3 Å²	172.3	91%	0.913	82%	0.823	S	S	*	*			trans	-117.9	111.1	164.9	-161	175.6	-178.1	-176.5	0	107.8
452	G	29	Very low	28.9	Very low	74 Å²	74	166.9 Å²	166.9	76%	0.763	82%	0.815	S	S	*	*			trans	-80.2	157.7	176.7	0	0	0	0	0	111.7
453	R	29.9	Very low	28.8	Very low	247 Å²	247	168.6 Å²	168.6	93%	0.932	82%	0.823	S	S	*	*			trans	-103.9	124.7	174.9	-138.1	176.3	179.6	173.1	-2.1	106.9
454	K	30.1	Very low	28.6	Very low	192 Å²	192	164.3 Å²	164.3	84%	0.835	82%	0.822	S	S	*	*			trans	-140.9	121.8	171.6	-170.4	-172.5	-174.8	-167.3	0	103.8
455	D	26.2	Very low	28.5	Very low	158 Å²	158	159.5 Å²	159.5	85%	0.845	81%	0.813	S	S	*	*			trans	-139.8	123.2	164	-79.3	-41.2	0	0	0	106.4
456	D	30.5	Very low	28.4	Very low	145 Å²	145	161.5 Å²	161.5	78%	0.775	82%	0.819	S	S	*	*			trans	-148.5	118.5	165	-158.1	16.3	0	0	0	103
457	D	25	Very low	28.4	Very low	164 Å²	164	158.6 Å²	158.6	88%	0.877	82%	0.819	S	S	*	*			trans	-179	148.6	141.6	-99.6	-26.3	0	0	0	113.2
458	S	29.2	Very low	28.3	Very low	98 Å²	98	151.8 Å²	151.8	69%	0.685	81%	0.806	S	S	*	*			trans	-83.8	170.5	-176.3	-161.2	0	0	0	0	113.9
459	D	28.4	Very low	28.3	Very low	143 Å²	143	155.6 Å²	155.6	77%	0.765	81%	0.811	S	S	*	*			trans	85.7	105.6	155.5	-75.2	12.5	0	0	0	122.1
460	D	26	Very low	28.4	Very low	150 Å²	150	154.8 Å²	154.8	80%	0.802	81%	0.808	S	S	*	*				77.1	153.2	119.2	-137.3	1.8	0	0	0	121.7
461	E	25.5	Very low	28.4	Very low	159 Å²	159	152.1 Å²	152.1	74%	0.743	80%	0.796	S	S	*	*			trans	100.2	144.9	166.1	-76.2	-78	174.8	0	0	121.1
462	T	26.3	Very low	28.7	Very low	110 Å²	110	147.2 Å²	147.2	68%	0.675	79%	0.786	S	S	*	*			trans	-88.7	162.7	-150.4	7.7	0	0	0	0	115.9
463	Q	25.9	Very low	29.3	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	79%	0.79	S	S	*	*			trans	67.7	110.9	154.7	-70.9	-176.7	12	0	0	119.9
464	S	24.1	Very low	30.6	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	76%	0.755	S	S	*	*				145.4	126.9	100.9	59.8	0	0	0	0	114.9
465	S	26.6	Very low	32.2	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	73%	0.732	S	S	*	*			trans	49.1	97.8	150.4	60.2	0	0	0	0	120.1
466	H	29.5	Very low	34.2	Very low	191 Å²	191	128.2 Å²	128.2	88%	0.884	69%	0.692	S	S	*	*			trans	-137.7	119.8	132.6	-87.5	-60.8	0	0	0	110.8	G468	H466-G468 PolarHBondContact O-N 2.86Å
467	T	32	Very low	36.2	Very low	150 Å²	150	123.1 Å²	123.1	92%	0.92	66%	0.664	S	S	*	*			trans	-68.9	74.2	172.4	37.8	0	0	0	0	110.9
468	G	27.8	Very low	38.6	Very low	57 Å²	57	122.2 Å²	122.2	59%	0.588	65%	0.652	S	S	*	*			trans	-89.2	121.3	159.6	0	0	0	0	0	108.9	H466 K470	H466-G468 PolarHBondContact O-N 2.86Å; G468-K470 PolarHBondContact O-N 2.87Å
469	K	31.6	Very low	40.9	Very low	216 Å²	216	120.9 Å²	120.9	94%	0.939	64%	0.635	S	S	*	*			trans	-52.7	101.4	170.7	-74.8	176.9	175.6	178	0	108.9	K471	K469-K471 PolarHBondContact O-N 2.85Å
470	K	29.6	Very low	43.2	Very low	198 Å²	198	119.3 Å²	119.3	86%	0.861	63%	0.627	S	S	*	*			trans	-60.7	126.8	168.3	-77.2	-175.3	174.8	-176.7	0	107.4	G468	G468-K470 PolarHBondContact O-N 2.87Å
471	K	32	Very low	45.7	Very low	149 Å²	149	115.9 Å²	115.9	65%	0.648	61%	0.606	S	S	*	*			trans	-50.1	131.9	164.6	-74.8	-178.6	169.2	-169.8	0	107.3	E399 K469 E473	E399-K471 IonicContact OE2-NZ 3.67Å; E399-K471 PolarHBondContact OE2-NZ 3.36Å; K469-K471 PolarHBondContact O-N 2.85Å; K471-E473 PolarHBondContact O-N 3.49Å
472	P	37.2	Very low	48.3	Very low	108 Å²	108	108.4 Å²	108.4	70%	0.701	57%	0.571	S	S	*	*			trans	-68.3	107.6	169.9	27	-28.2	0	0	0	107	I474	P472-I474 PolarHBondContact O-N 3.19Å
473	E	43	Very low	50.9	Low	180 Å²	180	104.2 Å²	104.2	84%	0.841	54%	0.544	S	S	*	.			trans	-61.8	118.3	160.9	-87.8	178.9	152.5	0	0	106.6	K471 S475	K471-E473 PolarHBondContact O-N 3.49Å; E473-S475 VanDerWaalsContact C-N 3.34Å; E473-S475 PolarHBondContact O-N 3.27Å
474	I	55.8	Low	53.6	Low	42 Å²	42	100.1 Å²	100.1	22%	0.215	53%	0.528	C	S	.	.			trans	-69.3	98	174.8	-60.3	166.1	0	0	0	105.9	L395 P472 Y513 L514	L395-I474 HydrophobicContact CB-CD1 4.42Å; L395-I474 HydrophobicContact CD2-CB 4.44Å; L395-I474 HydrophobicContact CD2-CD1 3.64Å; L395-I474 HydrophobicContact CD2-CG1 3.81Å; L395-I474 HydrophobicContact CD2-CG2 3.76Å; L395-I474 WeakPolarHBondContact O-CD1 3.43Å; P472-I474 PolarHBondContact O-N 3.19Å; I474-Y513 HydrophobicContact CG2-CD1 4.25Å; I474-Y513 HydrophobicContact CG2-CE1 3.88Å; I474-L514 HydrophobicContact CB-CD2 3.99Å; I474-L514 HydrophobicContact CD1-CD2 3.86Å; I474-L514 HydrophobicContact CG1-CD2 4.48Å; I474-L514 HydrophobicContact CG2-CD2 4.3Å
475	S	64.4	Low	56.3	Low	49 Å²	49	96.9 Å²	96.9	34%	0.343	50%	0.501	S	S	.	.			trans	-85.6	127.9	178.8	-168.2	0	0	0	0	109.8	E473 M477	E473-S475 VanDerWaalsContact C-N 3.34Å; E473-S475 PolarHBondContact O-N 3.27Å; S475-M477 PolarHBondContact OG-O 3.5Å
476	F	67.9	Low	58.9	Low	1 Å²	1	92.1 Å²	92.1	0%	0.004	47%	0.467	C	S	.	.	S	Bend	trans	-66.4	-49.6	176.2	173.3	-128.5	0	0	0	111.3	F376 L379 M380 K383 L509 N510 Y513	F376-F476 HydrophobicContact CB-CE1 4.1Å; F376-F476 AromaticContact CD1-CE1 3.99Å; F376-F476 HydrophobicContact CD1-CE1 3.99Å; F376-F476 HydrophobicContact CG-CE1 4.39Å; L379-F476 HydrophobicContact CB-CZ 4.15Å; M380-F476 VanDerWaalsContact CA-CE2 3.46Å; M380-F476 HydrophobicContact CB-CE2 4Å; M380-F476 HydrophobicContact CB-CZ 4.1Å; M380-F476 HydrophobicContact CE-CD1 3.78Å; M380-F476 HydrophobicContact CE-CE1 3.77Å; M380-F476 HydrophobicContact CE-CG 4.44Å; M380-F476 HydrophobicContact CE-CZ 4.42Å; M380-F476 HydrophobicContact CG-CD1 4.03Å; M380-F476 HydrophobicContact CG-CD2 3.86Å; M380-F476 HydrophobicContact CG-CE1 3.59Å; M380-F476 HydrophobicContact CG-CE2 3.44Å; M380-F476 VanDerWaalsContact CG-CE2 3.44Å; M380-F476 HydrophobicContact CG-CG 4.16Å; M380-F476 HydrophobicContact CG-CZ 3.27Å; K383-F476 HydrophobicContact CB-CE2 4.19Å; K383-F476 HydrophobicContact CD-CD2 4.07Å; K383-F476 HydrophobicContact CD-CE2 3.98Å; K383-F476 WeakPolarHBondContact CD-O 3.5Å; K383-F476 WeakPolarHBondContact CE-O 3.28Å; K383-F476 PolarHBondContact NZ-O 3.05Å; F476-L509 HydrophobicContact CD1-CB 4.33Å; F476-N510 WeakPolarHBondContact CB-OD1 3.3Å; F476-N510 PolarHBondContact N-OD1 3.21Å; F476-Y513 HydrophobicContact CB-CD1 3.7Å; F476-Y513 HydrophobicContact CB-CD2 4.29Å; F476-Y513 HydrophobicContact CB-CE1 4.41Å; F476-Y513 HydrophobicContact CB-CG 3.62Å; F476-Y513 HydrophobicContact CD2-CD1 4.06Å; F476-Y513 AromaticContact CD2-CD2 3.27Å; F476-Y513 HydrophobicContact CD2-CD2 3.27Å; F476-Y513 HydrophobicContact CD2-CE1 4.3Å; F476-Y513 AromaticContact CD2-CE2 3.56Å; F476-Y513 HydrophobicContact CD2-CE2 3.56Å; F476-Y513 AromaticContact CD2-CG 3.54Å; F476-Y513 HydrophobicContact CD2-CG 3.54Å; F476-Y513 AromaticContact CE2-CD2 3.9Å; F476-Y513 HydrophobicContact CE2-CD2 3.9Å; F476-Y513 HydrophobicContact CE2-CE2 4.07Å; F476-Y513 HydrophobicContact CG-CD1 4.28Å; F476-Y513 AromaticContact CG-CD2 3.98Å; F476-Y513 HydrophobicContact CG-CD2 3.98Å; F476-Y513 AromaticContact CG-CG 3.8Å; F476-Y513 HydrophobicContact CG-CG 3.8Å
477	M	72.7	Confident	61.4	Low	37 Å²	37	87.5 Å²	87.5	18%	0.182	44%	0.442	C	S	.	.	S	Bend	trans	-152.3	157.8	178.5	-67.4	-170	94	0	0	109.1	S475 E481 I482	S475-M477 PolarHBondContact OG-O 3.5Å; M477-E481 WeakPolarHBondContact CA-OE2 3.29Å; M477-E481 HydrophobicContact CB-CB 4.21Å; M477-E481 WeakPolarHBondContact CB-OE2 3.19Å; M477-E481 HydrophobicContact CE-CB 3.72Å; M477-E481 HydrophobicContact CE-CG 4.48Å; M477-I482 HydrophobicContact CB-CD1 4.26Å; M477-I482 HydrophobicContact CB-CG1 3.82Å
478	F	75.8	Confident	63.7	Low	145 Å²	145	87.7 Å²	87.7	64%	0.636	43%	0.43	S	S	*	.			trans	-77.2	157.8	170.5	-66.6	-77.4	0	0	0	110.5	D480 E481 I482	F478-D480 VanDerWaalsContact C-N 3.27Å; F478-D480 PolarHBondContact O-N 2.81Å; F478-E481 HydrophobicContact CB-CG 4.38Å; F478-E481 PolarHBondContact N-OE2 3.47Å; F478-E481 PolarHBondContact O-N 2.97Å; F478-I482 PolarHBondContact O-N 3.34Å; F478-I482 VanDerWaalsContact O-N 3.17Å
479	Q	76.6	Confident	66	Low	70 Å²	70	90 Å²	90	33%	0.327	43%	0.426	S	S	.	.	H	α-helix	trans	-51.6	-47.7	-179.7	-177.4	172.6	-12.7	0	0	111.6	E481 I482 E483 A502 I506	Q479-E481 VanDerWaalsContact C-N 3.27Å; Q479-E481 PolarHBondContact O-N 3.2Å; Q479-I482 WeakPolarHBondContact O-CB 3.42Å; Q479-I482 PolarHBondContact O-N 2.89Å; Q479-E483 HydrophobicContact CG-CG 4.4Å; Q479-E483 PolarHBondContact NE2-OE1 3.35Å; Q479-E483 WeakPolarHBondContact O-CG 3.32Å; Q479-E483 PolarHBondContact O-N 3.36Å; Q479-A502 HydrophobicContact CG-CB 4.33Å; Q479-I506 HydrophobicContact CB-CD1 3.93Å; Q479-I506 HydrophobicContact CG-CD1 4.22Å
480	D	77.6	Confident	68.2	Low	111 Å²	111	80.4 Å²	80.4	59%	0.594	38%	0.384	S	S	*	.	H	α-helix	trans	-56.5	-37.7	178.8	-52.2	-18.5	0	0	0	113	F478 D484	F478-D480 VanDerWaalsContact C-N 3.27Å; F478-D480 PolarHBondContact O-N 2.81Å; D480-D484 WeakPolarHBondContact O-CB 3.41Å; D480-D484 PolarHBondContact O-N 3.16Å
481	E	78.8	Confident	70.1	Confident	78 Å²	78	78.5 Å²	78.5	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-74.1	-32.8	179.9	-58.3	178.8	153.8	0	0	112.1	M477 F478 Q479 F485	M477-E481 WeakPolarHBondContact CA-OE2 3.29Å; M477-E481 HydrophobicContact CB-CB 4.21Å; M477-E481 WeakPolarHBondContact CB-OE2 3.19Å; M477-E481 HydrophobicContact CE-CB 3.72Å; M477-E481 HydrophobicContact CE-CG 4.48Å; F478-E481 HydrophobicContact CB-CG 4.38Å; F478-E481 PolarHBondContact N-OE2 3.47Å; F478-E481 PolarHBondContact O-N 2.97Å; Q479-E481 VanDerWaalsContact C-N 3.27Å; Q479-E481 PolarHBondContact O-N 3.2Å; E481-F485 WeakPolarHBondContact O-CB 3.38Å; E481-F485 PolarHBondContact O-N 3.39Å; E481-F485 VanDerWaalsContact O-N 3.17Å
482	I	78.7	Confident	71.8	Confident	1 Å²	1	79 Å²	79	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-70.2	-44	174.8	-64.3	169.4	0	0	0	109.2	F376 M477 F478 Q479 F485 L486 A502 I506 L509	F376-I482 HydrophobicContact CE1-CG2 4.33Å; F376-I482 HydrophobicContact CZ-CG2 3.82Å; M477-I482 HydrophobicContact CB-CD1 4.26Å; M477-I482 HydrophobicContact CB-CG1 3.82Å; F478-I482 PolarHBondContact O-N 3.34Å; F478-I482 VanDerWaalsContact O-N 3.17Å; Q479-I482 WeakPolarHBondContact O-CB 3.42Å; Q479-I482 PolarHBondContact O-N 2.89Å; I482-F485 PolarHBondContact O-N 2.66Å; I482-L486 HydrophobicContact CG2-CD1 3.87Å; I482-L486 HydrophobicContact CG2-CG 4.32Å; I482-L486 WeakPolarHBondContact O-CB 3.49Å; I482-L486 VanDerWaalsContact O-CG 3.3Å; I482-L486 WeakPolarHBondContact O-CG 3.22Å; I482-L486 PolarHBondContact O-N 3.4Å; I482-A502 HydrophobicContact CB-CB 4.23Å; I482-A502 HydrophobicContact CG2-CB 3.73Å; I482-I506 HydrophobicContact CD1-CG1 3.75Å; I482-L509 HydrophobicContact CD1-CD1 4Å; I482-L509 HydrophobicContact CG1-CD1 4.43Å; I482-L509 HydrophobicContact CG2-CD1 4.26Å
483	E	81.6	Confident	73.6	Confident	22 Å²	22	74.8 Å²	74.8	10%	0.103	36%	0.362	C	S	.	.	H	α-helix	trans	-58.7	-48.4	175	-70.4	-176.3	-170	0	0	111.5	Q479 F485 L486 R487 I498 S499 A502	Q479-E483 HydrophobicContact CG-CG 4.4Å; Q479-E483 PolarHBondContact NE2-OE1 3.35Å; Q479-E483 WeakPolarHBondContact O-CG 3.32Å; Q479-E483 PolarHBondContact O-N 3.36Å; E483-F485 VanDerWaalsContact C-N 3.25Å; E483-F485 PolarHBondContact O-N 3.48Å; E483-L486 PolarHBondContact O-N 2.83Å; E483-R487 WeakPolarHBondContact O-CB 3.24Å; E483-R487 VanDerWaalsContact O-CG 3.24Å; E483-R487 WeakPolarHBondContact O-CG 3.46Å; E483-R487 PolarHBondContact O-N 2.95Å; E483-R487 IonicContact OE2-NH2 3.22Å; E483-I498 HydrophobicContact CB-CG2 4.29Å; E483-I498 HydrophobicContact CG-CG2 4.39Å; E483-S499 VanDerWaalsContact CD-OG 3.23Å; E483-S499 VanDerWaalsContact OE1-CA 3.29Å; E483-S499 WeakPolarHBondContact OE1-CA 3.34Å; E483-S499 VanDerWaalsContact OE1-CB 3.28Å; E483-S499 WeakPolarHBondContact OE1-CB 3.44Å; E483-S499 PolarHBondContact OE1-OG 2.89Å; E483-S499 PolarHBondContact OE2-OG 2.97Å; E483-A502 HydrophobicContact CG-CB 3.54Å
484	D	81.4	Confident	75.3	Confident	92 Å²	92	68.3 Å²	68.3	49%	0.492	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-33.7	177.6	-87.2	-11.2	0	0	0	113.2	D480 K488	D480-D484 WeakPolarHBondContact O-CB 3.41Å; D480-D484 PolarHBondContact O-N 3.16Å; D484-K488 WeakPolarHBondContact O-CG 3.32Å
485	F	80.8	Confident	76.2	Confident	38 Å²	38	72 Å²	72	17%	0.167	35%	0.352	C	S	.	.	H	α-helix	trans	-75.5	-44	176.5	-172.2	-95.6	0	0	0	111.8	L375 F376 L379 E481 I482 E483 R487 K488 H489	L375-F485 HydrophobicContact CB-CE1 3.96Å; F376-F485 AromaticContact CD1-CD1 3.86Å; F376-F485 HydrophobicContact CD1-CD1 3.86Å; F376-F485 HydrophobicContact CD1-CE1 4.12Å; F376-F485 HydrophobicContact CD1-CG 4.46Å; F376-F485 HydrophobicContact CE1-CB 3.9Å; F376-F485 AromaticContact CE1-CD1 3.25Å; F376-F485 HydrophobicContact CE1-CD1 3.25Å; F376-F485 AromaticContact CE1-CE1 3.95Å; F376-F485 HydrophobicContact CE1-CE1 3.95Å; F376-F485 AromaticContact CE1-CG 3.75Å; F376-F485 HydrophobicContact CE1-CG 3.75Å; F376-F485 HydrophobicContact CE2-CD1 4.08Å; F376-F485 HydrophobicContact CE2-CE1 4.45Å; F376-F485 HydrophobicContact CG-CE1 4.47Å; F376-F485 HydrophobicContact CZ-CB 4.23Å; F376-F485 AromaticContact CZ-CD1 3.38Å; F376-F485 HydrophobicContact CZ-CD1 3.38Å; F376-F485 HydrophobicContact CZ-CE1 4.12Å; F376-F485 HydrophobicContact CZ-CG 4.17Å; L379-F485 HydrophobicContact CD1-CD2 3.61Å; L379-F485 HydrophobicContact CD1-CE1 4.27Å; L379-F485 HydrophobicContact CD1-CE2 3.29Å; L379-F485 HydrophobicContact CD1-CG 4.25Å; L379-F485 HydrophobicContact CD1-CZ 3.64Å; L379-F485 HydrophobicContact CG-CE2 4.33Å; E481-F485 WeakPolarHBondContact O-CB 3.38Å; E481-F485 PolarHBondContact O-N 3.39Å; E481-F485 VanDerWaalsContact O-N 3.17Å; I482-F485 PolarHBondContact O-N 2.66Å; E483-F485 VanDerWaalsContact C-N 3.25Å; E483-F485 PolarHBondContact O-N 3.48Å; F485-R487 PolarHBondContact O-N 2.85Å; F485-K488 PolarHBondContact O-N 3.45Å; F485-H489 AromaticContact CE1-CD2 3.77Å; F485-H489 AromaticContact CE2-CD2 3.98Å; F485-H489 AromaticContact CZ-CD2 3.58Å; F485-H489 AromaticContact CZ-NE2 3.65Å; F485-H489 PolarHBondContact O-N 3.04Å
486	L	82.2	Confident	76.8	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-62.3	-41.1	176.3	-71	172.6	0	0	0	111.6	F376 I482 E483 K488 H489 I490 I498 L501 A502 L505	F376-L486 HydrophobicContact CE2-CD2 3.86Å; F376-L486 HydrophobicContact CE2-CG 4.35Å; F376-L486 HydrophobicContact CZ-CD2 4Å; F376-L486 HydrophobicContact CZ-CG 4.02Å; I482-L486 HydrophobicContact CG2-CD1 3.87Å; I482-L486 HydrophobicContact CG2-CG 4.32Å; I482-L486 WeakPolarHBondContact O-CB 3.49Å; I482-L486 VanDerWaalsContact O-CG 3.3Å; I482-L486 WeakPolarHBondContact O-CG 3.22Å; I482-L486 PolarHBondContact O-N 3.4Å; E483-L486 PolarHBondContact O-N 2.83Å; L486-K488 PolarHBondContact O-N 3.34Å; L486-H489 PolarHBondContact O-N 2.72Å; L486-H489 VanDerWaalsContact O-N 3.09Å; L486-I490 HydrophobicContact CB-CD1 4.42Å; L486-I490 HydrophobicContact CD2-CD1 4.02Å; L486-I490 PolarHBondContact O-N 2.83Å; L486-I498 HydrophobicContact CB-CG2 3.92Å; L486-I498 HydrophobicContact CD1-CG2 4.43Å; L486-L501 HydrophobicContact CD1-CD2 4.24Å; L486-L501 HydrophobicContact CD1-CG 4.35Å; L486-A502 HydrophobicContact CD1-CB 4.15Å; L486-L505 HydrophobicContact CD1-CD1 4.23Å; L486-L505 HydrophobicContact CD2-CD1 4.4Å
487	R	82.6	Confident	77.5	Confident	93 Å²	93	76.7 Å²	76.7	35%	0.351	37%	0.369	S	S	.	.	H	α-helix	trans	-57.6	-30.4	175.6	-75.6	171	-169.3	-110	10.7	113.8	E483 F485 E495 I498	E483-R487 WeakPolarHBondContact O-CB 3.24Å; E483-R487 VanDerWaalsContact O-CG 3.24Å; E483-R487 WeakPolarHBondContact O-CG 3.46Å; E483-R487 PolarHBondContact O-N 2.95Å; E483-R487 IonicContact OE2-NH2 3.22Å; F485-R487 PolarHBondContact O-N 2.85Å; R487-E495 IonicContact CZ-OE1 3.37Å; R487-E495 VanDerWaalsContact NH1-CD 3.33Å; R487-E495 IonicContact NH1-OE1 2.68Å; R487-E495 PolarHBondContact NH1-OE1 3.23Å; R487-E495 VanDerWaalsContact NH2-CG 3.28Å; R487-E495 IonicContact NH2-OE1 2.77Å; R487-E495 PolarHBondContact NH2-OE1 2.93Å; R487-I498 HydrophobicContact CG-CD1 3.73Å; R487-I498 HydrophobicContact CG-CG2 4.17Å
488	K	80.1	Confident	78	Confident	155 Å²	155	75.3 Å²	75.3	67%	0.674	36%	0.362	S	S	*	.	H	α-helix	trans	-80	-27.1	179.3	-70.1	170.2	-171	165.8	0	112.6	D484 F485 L486	D484-K488 WeakPolarHBondContact O-CG 3.32Å; F485-K488 PolarHBondContact O-N 3.45Å; L486-K488 PolarHBondContact O-N 3.34Å
489	H	75.8	Confident	78.3	Confident	106 Å²	106	70 Å²	70	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-101.9	-28.9	-174.8	-89.4	-79.8	0	0	0	113.9	L375 F485 L486	L375-H489 HydrophobicContact CD1-CB 4Å; F485-H489 AromaticContact CE1-CD2 3.77Å; F485-H489 AromaticContact CE2-CD2 3.98Å; F485-H489 AromaticContact CZ-CD2 3.58Å; F485-H489 AromaticContact CZ-NE2 3.65Å; F485-H489 PolarHBondContact O-N 3.04Å; L486-H489 PolarHBondContact O-N 2.72Å; L486-H489 VanDerWaalsContact O-N 3.09Å
490	I	78.4	Confident	78.6	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.072	34%	0.344	C	S	.	.	S	Bend	trans	-104.1	105.2	177.2	-51.9	176.9	0	0	0	108	W322 F368 L486 A493 L501	W322-I490 HydrophobicContact CZ2-CG2 4.48Å; F368-I490 HydrophobicContact CE1-CD1 4.13Å; F368-I490 HydrophobicContact CZ-CD1 4.02Å; F368-I490 HydrophobicContact CZ-CG1 4.28Å; L486-I490 HydrophobicContact CB-CD1 4.42Å; L486-I490 HydrophobicContact CD2-CD1 4.02Å; L486-I490 PolarHBondContact O-N 2.83Å; I490-A493 HydrophobicContact CB-CB 4.46Å; I490-A493 HydrophobicContact CG2-CB 3.54Å; I490-L501 HydrophobicContact CD1-CD2 3.92Å
491	Q	68.1	Low	78.9	Confident	157 Å²	157	64.9 Å²	64.9	73%	0.734	32%	0.316	S	S	*	.			trans	-83.5	146.9	175.2	-65	-179.8	5.5	0	0	110.1	A493	Q491-A493 VanDerWaalsContact C-N 3.29Å; Q491-A493 PolarHBondContact O-N 3.03Å
492	D	68.9	Low	79.1	Confident	159 Å²	159	61.2 Å²	61.2	85%	0.85	30%	0.298	S	S	*	.	S	Bend	trans	63	18.9	175.1	-55.9	-35	0	0	0	117	W322	W322-D492 WeakPolarHBondContact CH2-O 3.44Å
493	A	75	Confident	79.4	Confident	20 Å²	20	67.1 Å²	67.1	17%	0.165	33%	0.326	C	S	.	.			trans	-85.3	142	175.3	0	0	0	0	0	113.3	W322 I490 Q491 F497 I498	W322-A493 HydrophobicContact CH2-CB 4.2Å; W322-A493 HydrophobicContact CZ2-CB 3.97Å; I490-A493 HydrophobicContact CB-CB 4.46Å; I490-A493 HydrophobicContact CG2-CB 3.54Å; Q491-A493 VanDerWaalsContact C-N 3.29Å; Q491-A493 PolarHBondContact O-N 3.03Å; A493-F497 HydrophobicContact CB-CD1 3.93Å; A493-F497 HydrophobicContact CB-CE1 4.31Å; A493-I498 HydrophobicContact CB-CD1 4.05Å; A493-I498 HydrophobicContact CB-CG1 4.02Å
494	P	77.6	Confident	79.4	Confident	44 Å²	44	71.5 Å²	71.5	29%	0.286	34%	0.342	S	S	.	.			trans	-59.7	144.6	172.7	-22.3	32.6	0	0	0	112.7	E496 F497 I498	P494-E496 PolarHBondContact O-N 3.43Å; P494-F497 HydrophobicContact CB-CB 4.11Å; P494-F497 HydrophobicContact CG-CB 4.43Å; P494-F497 WeakPolarHBondContact O-CB 3.19Å; P494-F497 PolarHBondContact O-N 2.91Å; P494-I498 PolarHBondContact O-N 3Å; P494-I498 VanDerWaalsContact O-N 3.13Å
495	E	75.3	Confident	79.5	Confident	120 Å²	120	67.1 Å²	67.1	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-40.5	-176.3	-167.2	157.7	-159.6	0	0	112.5	R487 F497 I498 S499	R487-E495 IonicContact CZ-OE1 3.37Å; R487-E495 VanDerWaalsContact NH1-CD 3.33Å; R487-E495 IonicContact NH1-OE1 2.68Å; R487-E495 PolarHBondContact NH1-OE1 3.23Å; R487-E495 VanDerWaalsContact NH2-CG 3.28Å; R487-E495 IonicContact NH2-OE1 2.77Å; R487-E495 PolarHBondContact NH2-OE1 2.93Å; E495-F497 VanDerWaalsContact C-N 3.3Å; E495-F497 PolarHBondContact O-N 3.45Å; E495-I498 PolarHBondContact O-N 3.49Å; E495-S499 PolarHBondContact O-N 3.22Å; E495-S499 VanDerWaalsContact O-N 3.13Å; E495-S499 PolarHBondContact O-OG 3.29Å
496	E	77.4	Confident	79.5	Confident	149 Å²	149	67.1 Å²	67.1	70%	0.696	32%	0.32	S	S	*	.	H	α-helix	trans	-61.3	-38.8	174.6	-64.3	-178.7	172.1	0	0	111.9	P494 S499 E500	P494-E496 PolarHBondContact O-N 3.43Å; E496-S499 PolarHBondContact O-N 3.31Å; E496-E500 PolarHBondContact O-N 2.99Å
497	F	82.4	Confident	79.4	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-42.3	176.5	167.6	-121.6	0	0	0	111.8	W322 F358 V362 V364 A493 P494 E495 S499 E500 L501	W322-F497 HydrophobicContact CD2-CE1 4.33Å; W322-F497 HydrophobicContact CG-CE1 4.42Å; F358-F497 HydrophobicContact CB-CD2 3.63Å; F358-F497 HydrophobicContact CB-CE2 3.93Å; F358-F497 HydrophobicContact CD2-CD2 4.45Å; F358-F497 AromaticContact CD2-CE2 3.87Å; F358-F497 HydrophobicContact CD2-CE2 3.87Å; F358-F497 HydrophobicContact CG-CD2 4.05Å; F358-F497 AromaticContact CG-CE2 3.9Å; F358-F497 HydrophobicContact CG-CE2 3.9Å; V362-F497 HydrophobicContact CB-CD2 4.17Å; V362-F497 HydrophobicContact CB-CG 4.45Å; V362-F497 HydrophobicContact CG1-CD1 4.4Å; V362-F497 HydrophobicContact CG1-CD2 3.88Å; V362-F497 HydrophobicContact CG1-CE1 4.46Å; V362-F497 HydrophobicContact CG1-CE2 3.98Å; V362-F497 HydrophobicContact CG1-CG 4.12Å; V362-F497 HydrophobicContact CG1-CZ 4.26Å; V362-F497 HydrophobicContact CG2-CB 4.26Å; V362-F497 HydrophobicContact CG2-CG 4.35Å; V364-F497 HydrophobicContact CG2-CD2 4.5Å; V364-F497 HydrophobicContact CG2-CE2 3.37Å; V364-F497 HydrophobicContact CG2-CZ 3.46Å; V364-F497 VanDerWaalsContact CG2-CZ 3.46Å; A493-F497 HydrophobicContact CB-CD1 3.93Å; A493-F497 HydrophobicContact CB-CE1 4.31Å; P494-F497 HydrophobicContact CB-CB 4.11Å; P494-F497 HydrophobicContact CG-CB 4.43Å; P494-F497 WeakPolarHBondContact O-CB 3.19Å; P494-F497 PolarHBondContact O-N 2.91Å; E495-F497 VanDerWaalsContact C-N 3.3Å; E495-F497 PolarHBondContact O-N 3.45Å; F497-S499 VanDerWaalsContact C-N 3.33Å; F497-S499 PolarHBondContact O-N 3.26Å; F497-E500 PolarHBondContact O-N 3.42Å; F497-L501 HydrophobicContact CE1-CD2 4.39Å; F497-L501 HydrophobicContact CE2-CB 4.14Å; F497-L501 HydrophobicContact CE2-CD1 4.47Å; F497-L501 HydrophobicContact CE2-CD2 4.39Å; F497-L501 HydrophobicContact CZ-CB 4.44Å; F497-L501 HydrophobicContact CZ-CD2 3.89Å; F497-L501 WeakPolarHBondContact O-CB 3.42Å; F497-L501 PolarHBondContact O-N 2.86Å
498	I	82.4	Confident	79.3	Confident	7 Å²	7	73.1 Å²	73.1	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-41.3	178.8	-64.4	172.2	0	0	0	110.8	E483 L486 R487 A493 P494 E495 L501 A502	E483-I498 HydrophobicContact CB-CG2 4.29Å; E483-I498 HydrophobicContact CG-CG2 4.39Å; L486-I498 HydrophobicContact CB-CG2 3.92Å; L486-I498 HydrophobicContact CD1-CG2 4.43Å; R487-I498 HydrophobicContact CG-CD1 3.73Å; R487-I498 HydrophobicContact CG-CG2 4.17Å; A493-I498 HydrophobicContact CB-CD1 4.05Å; A493-I498 HydrophobicContact CB-CG1 4.02Å; P494-I498 PolarHBondContact O-N 3Å; P494-I498 VanDerWaalsContact O-N 3.13Å; E495-I498 PolarHBondContact O-N 3.49Å; I498-L501 PolarHBondContact O-N 3.35Å; I498-A502 VanDerWaalsContact O-CB 3.32Å; I498-A502 WeakPolarHBondContact O-CB 3.29Å; I498-A502 PolarHBondContact O-N 3.49Å
499	S	82.6	Confident	79.4	Confident	33 Å²	33	65.7 Å²	65.7	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-46.1	177.7	-68.4	0	0	0	0	112.5	E483 E495 E496 F497 A502 E503	E483-S499 VanDerWaalsContact CD-OG 3.23Å; E483-S499 VanDerWaalsContact OE1-CA 3.29Å; E483-S499 WeakPolarHBondContact OE1-CA 3.34Å; E483-S499 VanDerWaalsContact OE1-CB 3.28Å; E483-S499 WeakPolarHBondContact OE1-CB 3.44Å; E483-S499 PolarHBondContact OE1-OG 2.89Å; E483-S499 PolarHBondContact OE2-OG 2.97Å; E495-S499 PolarHBondContact O-N 3.22Å; E495-S499 VanDerWaalsContact O-N 3.13Å; E495-S499 PolarHBondContact O-OG 3.29Å; E496-S499 PolarHBondContact O-N 3.31Å; F497-S499 VanDerWaalsContact C-N 3.33Å; F497-S499 PolarHBondContact O-N 3.26Å; S499-A502 PolarHBondContact O-N 2.81Å; S499-E503 PolarHBondContact O-N 2.98Å
500	E	82.8	Confident	79.7	Confident	75 Å²	75	62.1 Å²	62.1	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-37.8	176.1	-74.3	-176	-147	0	0	112.7	F358 S359 E496 F497 A502 E503 Y504	F358-E500 HydrophobicContact CD1-CB 3.96Å; S359-E500 VanDerWaalsContact CA-OE1 3.23Å; S359-E500 WeakPolarHBondContact CA-OE1 3.42Å; S359-E500 WeakPolarHBondContact CB-OE1 3.4Å; S359-E500 PolarHBondContact N-OE1 2.74Å; S359-E500 PolarHBondContact N-OE2 3.38Å; S359-E500 PolarHBondContact OG-OE1 3.29Å; S359-E500 PolarHBondContact OG-OE2 3.24Å; E496-E500 PolarHBondContact O-N 2.99Å; F497-E500 PolarHBondContact O-N 3.42Å; E500-A502 VanDerWaalsContact C-N 3.34Å; E500-E503 PolarHBondContact O-N 2.86Å; E500-Y504 WeakPolarHBondContact O-CB 3.49Å; E500-Y504 PolarHBondContact O-N 3.17Å
501	L	83.6	Confident	79.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-42.1	175.2	-175.5	66.7	0	0	0	110.6	F358 L486 I490 F497 I498 Y504 L505	F358-L501 HydrophobicContact CE1-CD1 4.32Å; F358-L501 HydrophobicContact CE2-CD1 4.23Å; F358-L501 HydrophobicContact CZ-CD1 3.87Å; L486-L501 HydrophobicContact CD1-CD2 4.24Å; L486-L501 HydrophobicContact CD1-CG 4.35Å; I490-L501 HydrophobicContact CD1-CD2 3.92Å; F497-L501 HydrophobicContact CE1-CD2 4.39Å; F497-L501 HydrophobicContact CE2-CB 4.14Å; F497-L501 HydrophobicContact CE2-CD1 4.47Å; F497-L501 HydrophobicContact CE2-CD2 4.39Å; F497-L501 HydrophobicContact CZ-CB 4.44Å; F497-L501 HydrophobicContact CZ-CD2 3.89Å; F497-L501 WeakPolarHBondContact O-CB 3.42Å; F497-L501 PolarHBondContact O-N 2.86Å; I498-L501 PolarHBondContact O-N 3.35Å; L501-Y504 PolarHBondContact O-N 2.68Å; L501-L505 HydrophobicContact CD1-CD1 4.22Å; L501-L505 HydrophobicContact CD1-CG 4.33Å; L501-L505 HydrophobicContact CD2-CD1 4.46Å; L501-L505 HydrophobicContact CG-CD1 3.88Å; L501-L505 HydrophobicContact CG-CG 4.36Å; L501-L505 VanDerWaalsContact O-CB 3.29Å; L501-L505 WeakPolarHBondContact O-CB 3.23Å; L501-L505 WeakPolarHBondContact O-CG 3.33Å; L501-L505 PolarHBondContact O-N 3.22Å
502	A	82.4	Confident	80.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-48.4	174.5	0	0	0	0	0	110.8	Q479 I482 E483 L486 I498 S499 E500 Y504 L505 I506	Q479-A502 HydrophobicContact CG-CB 4.33Å; I482-A502 HydrophobicContact CB-CB 4.23Å; I482-A502 HydrophobicContact CG2-CB 3.73Å; E483-A502 HydrophobicContact CG-CB 3.54Å; L486-A502 HydrophobicContact CD1-CB 4.15Å; I498-A502 VanDerWaalsContact O-CB 3.32Å; I498-A502 WeakPolarHBondContact O-CB 3.29Å; I498-A502 PolarHBondContact O-N 3.49Å; S499-A502 PolarHBondContact O-N 2.81Å; E500-A502 VanDerWaalsContact C-N 3.34Å; A502-Y504 VanDerWaalsContact C-N 3.33Å; A502-Y504 PolarHBondContact O-N 2.94Å; A502-L505 PolarHBondContact O-N 2.72Å; A502-L505 VanDerWaalsContact O-N 3.16Å; A502-I506 WeakPolarHBondContact O-CG1 3.28Å; A502-I506 PolarHBondContact O-N 3.23Å
503	E	85.1	Confident	80.7	Confident	126 Å²	126	55 Å²	55	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-57.9	-44.7	176.7	-171.4	-179.8	174.6	0	0	112	S499 E500 L505 I506	S499-E503 PolarHBondContact O-N 2.98Å; E500-E503 PolarHBondContact O-N 2.86Å; E503-L505 VanDerWaalsContact C-N 3.33Å; E503-L505 PolarHBondContact O-N 2.84Å; E503-I506 PolarHBondContact O-N 2.82Å
504	Y	83.2	Confident	80.7	Confident	114 Å²	114	56.9 Å²	56.9	45%	0.447	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-39.5	177.2	-174	-91	0	0	0	112.2	F358 I369 E500 L501 A502 P508	F358-Y504 HydrophobicContact CE1-CD2 4.24Å; F358-Y504 AromaticContact CE1-CG 3.91Å; F358-Y504 HydrophobicContact CE1-CG 3.91Å; F358-Y504 HydrophobicContact CZ-CD1 4.08Å; F358-Y504 HydrophobicContact CZ-CD2 4.28Å; F358-Y504 AromaticContact CZ-CG 3.89Å; F358-Y504 HydrophobicContact CZ-CG 3.89Å; I369-Y504 HydrophobicContact CD1-CE1 4.2Å; I369-Y504 HydrophobicContact CG2-CE1 4.2Å; E500-Y504 WeakPolarHBondContact O-CB 3.49Å; E500-Y504 PolarHBondContact O-N 3.17Å; L501-Y504 PolarHBondContact O-N 2.68Å; A502-Y504 VanDerWaalsContact C-N 3.33Å; A502-Y504 PolarHBondContact O-N 2.94Å; Y504-P508 WeakPolarHBondContact O-CD 3.29Å
505	L	83.1	Confident	80.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76.8	-22	-179	-72.7	175.6	0	0	0	113.5	I369 C372 L486 L501 A502 E503 K507 P508 L509	I369-L505 HydrophobicContact CG2-CD2 3.87Å; C372-L505 HydrophobicContact CB-CD1 4.35Å; L486-L505 HydrophobicContact CD1-CD1 4.23Å; L486-L505 HydrophobicContact CD2-CD1 4.4Å; L501-L505 HydrophobicContact CD1-CD1 4.22Å; L501-L505 HydrophobicContact CD1-CG 4.33Å; L501-L505 HydrophobicContact CD2-CD1 4.46Å; L501-L505 HydrophobicContact CG-CD1 3.88Å; L501-L505 HydrophobicContact CG-CG 4.36Å; L501-L505 VanDerWaalsContact O-CB 3.29Å; L501-L505 WeakPolarHBondContact O-CB 3.23Å; L501-L505 WeakPolarHBondContact O-CG 3.33Å; L501-L505 PolarHBondContact O-N 3.22Å; A502-L505 PolarHBondContact O-N 2.72Å; A502-L505 VanDerWaalsContact O-N 3.16Å; E503-L505 VanDerWaalsContact C-N 3.33Å; E503-L505 PolarHBondContact O-N 2.84Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 2.84Å; L505-P508 VanDerWaalsContact O-CD 3.28Å; L505-P508 WeakPolarHBondContact O-CD 3.39Å; L505-L509 HydrophobicContact CB-CD1 3.72Å; L505-L509 HydrophobicContact CB-CG 4.07Å; L505-L509 WeakPolarHBondContact O-CB 3.3Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.25Å
506	I	81.1	Confident	80.8	Confident	37 Å²	37	54.6 Å²	54.6	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-51.8	-48.5	-179.8	-76	164.2	0	0	0	112.1	Q479 I482 A502 E503 N510	Q479-I506 HydrophobicContact CB-CD1 3.93Å; Q479-I506 HydrophobicContact CG-CD1 4.22Å; I482-I506 HydrophobicContact CD1-CG1 3.75Å; A502-I506 WeakPolarHBondContact O-CG1 3.28Å; A502-I506 PolarHBondContact O-N 3.23Å; E503-I506 PolarHBondContact O-N 2.82Å; I506-N510 VanDerWaalsContact O-CB 3.22Å; I506-N510 WeakPolarHBondContact O-CB 3.33Å; I506-N510 PolarHBondContact O-N 3.47Å; I506-N510 PolarHBondContact O-ND2 3.48Å
507	K	80.1	Confident	80.4	Confident	171 Å²	171	48.2 Å²	48.2	74%	0.743	23%	0.233	S	C	*	.	H	α-helix	trans	-68.7	-51.2	-177.4	-70.5	177	-174.5	167.3	0	112.4	L505 K511	L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 2.84Å; K507-K511 WeakPolarHBondContact O-CB 3.36Å; K507-K511 PolarHBondContact O-N 3.13Å
508	P	80.9	Confident	79.8	Confident	48 Å²	48	54 Å²	54	31%	0.312	26%	0.255	S	S	.	.	H	α-helix	trans	-53.2	-50.7	171	-26.1	32.2	0	0	0	112.5	Y504 L505 N510 K511 T512	Y504-P508 WeakPolarHBondContact O-CD 3.29Å; L505-P508 VanDerWaalsContact O-CD 3.28Å; L505-P508 WeakPolarHBondContact O-CD 3.39Å; P508-N510 PolarHBondContact O-N 2.87Å; P508-K511 WeakPolarHBondContact O-CB 3.5Å; P508-K511 PolarHBondContact O-N 3.42Å; P508-K511 VanDerWaalsContact O-N 3.14Å; P508-T512 PolarHBondContact O-N 2.87Å; P508-T512 PolarHBondContact O-OG1 3.48Å
509	L	82	Confident	79.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-44.8	-177	-69.2	173.2	0	0	0	111.9	T373 F376 M380 F476 I482 L505 K511 T512 Y513	T373-L509 HydrophobicContact CG2-CD2 3.95Å; F376-L509 HydrophobicContact CB-CD2 3.74Å; F376-L509 HydrophobicContact CD2-CD1 4.07Å; F376-L509 HydrophobicContact CD2-CD2 3.69Å; F376-L509 HydrophobicContact CE2-CD1 4.17Å; F376-L509 HydrophobicContact CG-CD1 4.3Å; F376-L509 HydrophobicContact CG-CD2 3.84Å; F376-L509 HydrophobicContact CZ-CD1 4.45Å; M380-L509 HydrophobicContact CE-CB 3.74Å; M380-L509 HydrophobicContact CE-CD2 3.26Å; M380-L509 HydrophobicContact CE-CG 4.08Å; M380-L509 WeakPolarHBondContact CE-O 3.39Å; F476-L509 HydrophobicContact CD1-CB 4.33Å; I482-L509 HydrophobicContact CD1-CD1 4Å; I482-L509 HydrophobicContact CG1-CD1 4.43Å; I482-L509 HydrophobicContact CG2-CD1 4.26Å; L505-L509 HydrophobicContact CB-CD1 3.72Å; L505-L509 HydrophobicContact CB-CG 4.07Å; L505-L509 WeakPolarHBondContact O-CB 3.3Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.25Å; L509-K511 VanDerWaalsContact C-N 3.32Å; L509-K511 PolarHBondContact O-N 3.47Å; L509-T512 WeakPolarHBondContact CA-OG1 3.29Å; L509-T512 PolarHBondContact O-N 3.46Å; L509-T512 PolarHBondContact O-OG1 2.98Å; L509-Y513 VanDerWaalsContact O-CB 3.23Å; L509-Y513 WeakPolarHBondContact O-CB 3.37Å; L509-Y513 PolarHBondContact O-N 2.9Å
510	N	80.8	Confident	78.5	Confident	30 Å²	30	55.3 Å²	55.3	16%	0.16	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-38.3	175.8	-76.7	-18.8	0	0	0	111.9	F476 I506 P508 Y513 L514	F476-N510 WeakPolarHBondContact CB-OD1 3.3Å; F476-N510 PolarHBondContact N-OD1 3.21Å; I506-N510 VanDerWaalsContact O-CB 3.22Å; I506-N510 WeakPolarHBondContact O-CB 3.33Å; I506-N510 PolarHBondContact O-N 3.47Å; I506-N510 PolarHBondContact O-ND2 3.48Å; P508-N510 PolarHBondContact O-N 2.87Å; N510-Y513 PolarHBondContact O-N 3.17Å; N510-L514 WeakPolarHBondContact O-CB 3.26Å; N510-L514 VanDerWaalsContact O-CG 3.3Å; N510-L514 WeakPolarHBondContact O-CG 3.38Å; N510-L514 PolarHBondContact O-N 3.03Å
511	K	79.9	Confident	77.5	Confident	136 Å²	136	54.5 Å²	54.5	59%	0.591	26%	0.26	S	S	*	.	H	α-helix	trans	-65.9	-48.3	175.8	-174.8	-174.3	172.7	-168.7	0	111.4	K507 P508 L509 Y513 L514 E515	K507-K511 WeakPolarHBondContact O-CB 3.36Å; K507-K511 PolarHBondContact O-N 3.13Å; P508-K511 WeakPolarHBondContact O-CB 3.5Å; P508-K511 PolarHBondContact O-N 3.42Å; P508-K511 VanDerWaalsContact O-N 3.14Å; L509-K511 VanDerWaalsContact C-N 3.32Å; L509-K511 PolarHBondContact O-N 3.47Å; K511-Y513 VanDerWaalsContact C-N 3.31Å; K511-Y513 PolarHBondContact O-N 3.07Å; K511-L514 PolarHBondContact O-N 3.13Å; K511-E515 WeakPolarHBondContact O-CG 3.14Å; K511-E515 PolarHBondContact O-N 3.4Å
512	T	79.2	Confident	76.3	Confident	45 Å²	45	60.4 Å²	60.4	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-35.7	174.7	32.6	0	0	0	0	111.9	P508 L509 E515 V516	P508-T512 PolarHBondContact O-N 2.87Å; P508-T512 PolarHBondContact O-OG1 3.48Å; L509-T512 WeakPolarHBondContact CA-OG1 3.29Å; L509-T512 PolarHBondContact O-N 3.46Å; L509-T512 PolarHBondContact O-OG1 2.98Å; T512-E515 CarbonylContact O-C 3.52Å; T512-E515 WeakPolarHBondContact O-CB 3.26Å; T512-E515 PolarHBondContact O-N 3.33Å; T512-V516 WeakPolarHBondContact O-CB 3.29Å; T512-V516 VanDerWaalsContact O-CG2 3.24Å; T512-V516 WeakPolarHBondContact O-CG2 2.97Å; T512-V516 PolarHBondContact O-N 3.35Å
513	Y	78.3	Confident	75.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-42.5	174.9	-179.3	-117.2	0	0	0	111.3	M380 K383 A384 E387 I474 F476 L509 N510 K511 E515 V516 V517	M380-Y513 HydrophobicContact CB-CD2 3.99Å; M380-Y513 HydrophobicContact CG-CD2 3.96Å; K383-Y513 HydrophobicContact CB-CE2 4.35Å; A384-Y513 HydrophobicContact CB-CE2 4.05Å; E387-Y513 VanDerWaalsContact CD-OH 3.3Å; E387-Y513 PolarHBondContact OE2-OH 3.23Å; I474-Y513 HydrophobicContact CG2-CD1 4.25Å; I474-Y513 HydrophobicContact CG2-CE1 3.88Å; F476-Y513 HydrophobicContact CB-CD1 3.7Å; F476-Y513 HydrophobicContact CB-CD2 4.29Å; F476-Y513 HydrophobicContact CB-CE1 4.41Å; F476-Y513 HydrophobicContact CB-CG 3.62Å; F476-Y513 HydrophobicContact CD2-CD1 4.06Å; F476-Y513 AromaticContact CD2-CD2 3.27Å; F476-Y513 HydrophobicContact CD2-CD2 3.27Å; F476-Y513 HydrophobicContact CD2-CE1 4.3Å; F476-Y513 AromaticContact CD2-CE2 3.56Å; F476-Y513 HydrophobicContact CD2-CE2 3.56Å; F476-Y513 AromaticContact CD2-CG 3.54Å; F476-Y513 HydrophobicContact CD2-CG 3.54Å; F476-Y513 AromaticContact CE2-CD2 3.9Å; F476-Y513 HydrophobicContact CE2-CD2 3.9Å; F476-Y513 HydrophobicContact CE2-CE2 4.07Å; F476-Y513 HydrophobicContact CG-CD1 4.28Å; F476-Y513 AromaticContact CG-CD2 3.98Å; F476-Y513 HydrophobicContact CG-CD2 3.98Å; F476-Y513 AromaticContact CG-CG 3.8Å; F476-Y513 HydrophobicContact CG-CG 3.8Å; L509-Y513 VanDerWaalsContact O-CB 3.23Å; L509-Y513 WeakPolarHBondContact O-CB 3.37Å; L509-Y513 PolarHBondContact O-N 2.9Å; N510-Y513 PolarHBondContact O-N 3.17Å; K511-Y513 VanDerWaalsContact C-N 3.31Å; K511-Y513 PolarHBondContact O-N 3.07Å; Y513-E515 VanDerWaalsContact C-N 3.3Å; Y513-E515 PolarHBondContact O-N 2.85Å; Y513-V516 CarbonylContact O-C 3.54Å; Y513-V516 PolarHBondContact O-N 2.94Å; Y513-V517 HydrophobicContact CD1-CG2 4.1Å; Y513-V517 HydrophobicContact CD2-CG2 4.03Å; Y513-V517 HydrophobicContact CE1-CG2 3.72Å; Y513-V517 HydrophobicContact CE2-CG2 3.65Å; Y513-V517 HydrophobicContact CG-CG2 4.25Å; Y513-V517 VanDerWaalsContact CZ-CG2 3.48Å; Y513-V517 WeakPolarHBondContact O-CB 3.2Å; Y513-V517 VanDerWaalsContact O-CG2 3.26Å; Y513-V517 WeakPolarHBondContact O-CG2 3.36Å; Y513-V517 PolarHBondContact O-N 3.04Å
514	L	75.3	Confident	73.6	Confident	59 Å²	59	60.5 Å²	60.5	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-38.8	172.6	-76	171.6	0	0	0	112	I474 N510 K511 R518	I474-L514 HydrophobicContact CB-CD2 3.99Å; I474-L514 HydrophobicContact CD1-CD2 3.86Å; I474-L514 HydrophobicContact CG1-CD2 4.48Å; I474-L514 HydrophobicContact CG2-CD2 4.3Å; N510-L514 WeakPolarHBondContact O-CB 3.26Å; N510-L514 VanDerWaalsContact O-CG 3.3Å; N510-L514 WeakPolarHBondContact O-CG 3.38Å; N510-L514 PolarHBondContact O-N 3.03Å; K511-L514 PolarHBondContact O-N 3.13Å; L514-R518 VanDerWaalsContact O-CB 3.25Å; L514-R518 WeakPolarHBondContact O-CB 3.27Å; L514-R518 WeakPolarHBondContact O-CG 3.31Å; L514-R518 PolarHBondContact O-N 3.13Å
515	E	76.4	Confident	71.8	Confident	100 Å²	100	57.1 Å²	57.1	47%	0.467	29%	0.294	S	S	.	.	H	α-helix	trans	-66.8	-41.4	174.2	-71.4	174	-169.6	0	0	111.8	K511 T512 Y513 R518 S519	K511-E515 WeakPolarHBondContact O-CG 3.14Å; K511-E515 PolarHBondContact O-N 3.4Å; T512-E515 CarbonylContact O-C 3.52Å; T512-E515 WeakPolarHBondContact O-CB 3.26Å; T512-E515 PolarHBondContact O-N 3.33Å; Y513-E515 VanDerWaalsContact C-N 3.3Å; Y513-E515 PolarHBondContact O-N 2.85Å; E515-R518 PolarHBondContact O-N 2.81Å; E515-S519 WeakPolarHBondContact O-CB 3.35Å; E515-S519 PolarHBondContact O-N 2.86Å
516	V	76.9	Confident	69.9	Low	17 Å²	17	59.7 Å²	59.7	10%	0.103	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-49	175.3	170.5	0	0	0	0	110.3	M380 A384 T512 Y513 R518 S519 V520	M380-V516 HydrophobicContact CB-CG1 4.32Å; A384-V516 HydrophobicContact CB-CG1 4.24Å; T512-V516 WeakPolarHBondContact O-CB 3.29Å; T512-V516 VanDerWaalsContact O-CG2 3.24Å; T512-V516 WeakPolarHBondContact O-CG2 2.97Å; T512-V516 PolarHBondContact O-N 3.35Å; Y513-V516 CarbonylContact O-C 3.54Å; Y513-V516 PolarHBondContact O-N 2.94Å; V516-R518 VanDerWaalsContact C-N 3.32Å; V516-R518 PolarHBondContact O-N 3.29Å; V516-S519 WeakPolarHBondContact CA-OG 3.35Å; V516-S519 CarbonylContact O-C 3.49Å; V516-S519 WeakPolarHBondContact O-CA 3.4Å; V516-S519 PolarHBondContact O-N 3.43Å; V516-S519 PolarHBondContact O-OG 2.83Å; V516-V520 HydrophobicContact CG1-CG2 4.15Å; V516-V520 VanDerWaalsContact O-CG2 3.28Å; V516-V520 WeakPolarHBondContact O-CG2 3.5Å; V516-V520 PolarHBondContact O-N 3.04Å
517	V	70.9	Confident	68.2	Low	15 Å²	15	63 Å²	63	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-42.3	174.3	171	0	0	0	0	110.7	A384 Y513 S519 F521	A384-V517 HydrophobicContact CB-CG2 3.83Å; Y513-V517 HydrophobicContact CD1-CG2 4.1Å; Y513-V517 HydrophobicContact CD2-CG2 4.03Å; Y513-V517 HydrophobicContact CE1-CG2 3.72Å; Y513-V517 HydrophobicContact CE2-CG2 3.65Å; Y513-V517 HydrophobicContact CG-CG2 4.25Å; Y513-V517 VanDerWaalsContact CZ-CG2 3.48Å; Y513-V517 WeakPolarHBondContact O-CB 3.2Å; Y513-V517 VanDerWaalsContact O-CG2 3.26Å; Y513-V517 WeakPolarHBondContact O-CG2 3.36Å; Y513-V517 PolarHBondContact O-N 3.04Å; V517-S519 VanDerWaalsContact C-N 3.34Å; V517-S519 PolarHBondContact O-N 2.77Å; V517-F521 WeakPolarHBondContact O-CA 3.09Å; V517-F521 WeakPolarHBondContact O-CB 3.48Å; V517-F521 PolarHBondContact O-N 3.01Å
518	R	69.2	Low	66.5	Low	122 Å²	122	59 Å²	59	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-41.4	173	-79.2	171.1	179.4	177	-1.6	111.7	D400 L514 E515 V516 M522	D400-R518 IonicContact OD1-NH2 3.29Å; D400-R518 PolarHBondContact OD1-NH2 2.81Å; L514-R518 VanDerWaalsContact O-CB 3.25Å; L514-R518 WeakPolarHBondContact O-CB 3.27Å; L514-R518 WeakPolarHBondContact O-CG 3.31Å; L514-R518 PolarHBondContact O-N 3.13Å; E515-R518 PolarHBondContact O-N 2.81Å; V516-R518 VanDerWaalsContact C-N 3.32Å; V516-R518 PolarHBondContact O-N 3.29Å; R518-M522 VanDerWaalsContact O-CB 3.31Å; R518-M522 WeakPolarHBondContact O-CB 3.17Å; R518-M522 WeakPolarHBondContact O-CG 3.4Å; R518-M522 PolarHBondContact O-N 3.44Å
519	S	71.1	Confident	64.4	Low	55 Å²	55	59.8 Å²	59.8	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-45.9	178.7	76.8	0	0	0	0	112.2	E515 V516 V517 F521 M522 S523	E515-S519 WeakPolarHBondContact O-CB 3.35Å; E515-S519 PolarHBondContact O-N 2.86Å; V516-S519 WeakPolarHBondContact CA-OG 3.35Å; V516-S519 CarbonylContact O-C 3.49Å; V516-S519 WeakPolarHBondContact O-CA 3.4Å; V516-S519 PolarHBondContact O-N 3.43Å; V516-S519 PolarHBondContact O-OG 2.83Å; V517-S519 VanDerWaalsContact C-N 3.34Å; V517-S519 PolarHBondContact O-N 2.77Å; S519-F521 VanDerWaalsContact C-N 3.32Å; S519-M522 PolarHBondContact O-N 3.36Å; S519-S523 PolarHBondContact O-N 3.49Å; S519-S523 PolarHBondContact O-OG 3.15Å
520	V	66.7	Low	62.6	Low	12 Å²	12	63.2 Å²	63.2	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-67.9	-35.6	177.3	-177.3	0	0	0	0	109.9	A384 E385 M388 V516 S523 S524	A384-V520 HydrophobicContact CB-CB 4.5Å; A384-V520 HydrophobicContact CB-CG2 4.26Å; E385-V520 HydrophobicContact CG-CG1 4.17Å; M388-V520 HydrophobicContact SD-CB 4.16Å; M388-V520 HydrophobicContact SD-CG1 3.56Å; M388-V520 VanDerWaalsContact SD-CG1 3.56Å; V516-V520 HydrophobicContact CG1-CG2 4.15Å; V516-V520 VanDerWaalsContact O-CG2 3.28Å; V516-V520 WeakPolarHBondContact O-CG2 3.5Å; V516-V520 PolarHBondContact O-N 3.04Å; V520-S523 VanDerWaalsContact CA-OG 3.29Å; V520-S523 WeakPolarHBondContact CA-OG 3.25Å; V520-S523 PolarHBondContact O-OG 3.29Å; V520-S524 VanDerWaalsContact O-CB 3.23Å; V520-S524 WeakPolarHBondContact O-CB 3.2Å; V520-S524 PolarHBondContact O-N 2.98Å; V520-S524 PolarHBondContact O-OG 3.42Å
521	F	61.6	Low	60.7	Low	58 Å²	58	66.9 Å²	66.9	25%	0.254	40%	0.401	S	S	.	.	H	α-helix	trans	-66.6	-45.6	172.3	-178.8	-95.6	0	0	0	111.6	M388 I396 V517 S519 S523 S524 T525	M388-F521 HydrophobicContact CE-CD2 4.21Å; M388-F521 HydrophobicContact SD-CB 4.36Å; I396-F521 HydrophobicContact CD1-CD1 3.72Å; I396-F521 HydrophobicContact CD1-CD2 3.87Å; I396-F521 HydrophobicContact CD1-CE1 3.31Å; I396-F521 HydrophobicContact CD1-CE2 3.47Å; I396-F521 VanDerWaalsContact CD1-CE2 3.47Å; I396-F521 HydrophobicContact CD1-CG 3.98Å; I396-F521 HydrophobicContact CD1-CZ 3.17Å; V517-F521 WeakPolarHBondContact O-CA 3.09Å; V517-F521 WeakPolarHBondContact O-CB 3.48Å; V517-F521 PolarHBondContact O-N 3.01Å; S519-F521 VanDerWaalsContact C-N 3.32Å; F521-S523 VanDerWaalsContact C-N 3.31Å; F521-S523 PolarHBondContact O-N 3.29Å; F521-S524 PolarHBondContact O-N 3.01Å; F521-S524 VanDerWaalsContact O-N 3.11Å; F521-T525 HydrophobicContact CD1-CG2 4.33Å; F521-T525 WeakPolarHBondContact CD1-OG1 3.23Å; F521-T525 HydrophobicContact CD2-CG2 3.84Å; F521-T525 HydrophobicContact CE1-CG2 3.82Å; F521-T525 WeakPolarHBondContact CE1-OG1 3.4Å; F521-T525 HydrophobicContact CE2-CG2 3.27Å; F521-T525 HydrophobicContact CG-CG2 4.33Å; F521-T525 HydrophobicContact CZ-CG2 3.26Å; F521-T525 WeakPolarHBondContact O-CB 3.28Å; F521-T525 PolarHBondContact O-N 2.98Å; F521-T525 PolarHBondContact O-OG1 3.18Å
522	M	58.8	Low	58.9	Low	123 Å²	123	60.6 Å²	60.6	61%	0.606	38%	0.375	S	S	*	.	H	α-helix	trans	-63.5	-34.9	176.7	-76.9	178.7	68.6	0	0	112.5	R518 S519 S524 T526	R518-M522 VanDerWaalsContact O-CB 3.31Å; R518-M522 WeakPolarHBondContact O-CB 3.17Å; R518-M522 WeakPolarHBondContact O-CG 3.4Å; R518-M522 PolarHBondContact O-N 3.44Å; S519-M522 PolarHBondContact O-N 3.36Å; M522-S524 VanDerWaalsContact C-N 3.33Å; M522-T526 PolarHBondContact O-OG1 2.94Å
523	S	60.1	Low	57.1	Low	78 Å²	78	65.5 Å²	65.5	55%	0.545	39%	0.388	S	S	.	.	H	α-helix	trans	-75.2	-20.9	173.8	61.7	0	0	0	0	113.4	S519 V520 F521 T526	S519-S523 PolarHBondContact O-N 3.49Å; S519-S523 PolarHBondContact O-OG 3.15Å; V520-S523 VanDerWaalsContact CA-OG 3.29Å; V520-S523 WeakPolarHBondContact CA-OG 3.25Å; V520-S523 PolarHBondContact O-OG 3.29Å; F521-S523 VanDerWaalsContact C-N 3.31Å; F521-S523 PolarHBondContact O-N 3.29Å; S523-T526 PolarHBondContact O-OG1 3.23Å; S523-T526 VanDerWaalsContact O-OG1 3.13Å
524	S	51.1	Low	55.6	Low	50 Å²	50	73.6 Å²	73.6	35%	0.35	42%	0.424	S	S	.	.	H	α-helix	trans	-99.9	-32	-179.2	-53.2	0	0	0	0	114	M388 V520 F521 M522 S527	M388-S524 WeakPolarHBondContact CE-OG 3.36Å; V520-S524 VanDerWaalsContact O-CB 3.23Å; V520-S524 WeakPolarHBondContact O-CB 3.2Å; V520-S524 PolarHBondContact O-N 2.98Å; V520-S524 PolarHBondContact O-OG 3.42Å; F521-S524 PolarHBondContact O-N 3.01Å; F521-S524 VanDerWaalsContact O-N 3.11Å; M522-S524 VanDerWaalsContact C-N 3.33Å; S524-S527 PolarHBondContact O-N 2.96Å
525	T	45.2	Very low	54.3	Low	43 Å²	43	76.9 Å²	76.9	26%	0.264	43%	0.432	S	S	.	.	H	α-helix	trans	-89.8	-2.5	178.5	47.2	0	0	0	0	114.5	F521 S527 A528	F521-T525 HydrophobicContact CD1-CG2 4.33Å; F521-T525 WeakPolarHBondContact CD1-OG1 3.23Å; F521-T525 HydrophobicContact CD2-CG2 3.84Å; F521-T525 HydrophobicContact CE1-CG2 3.82Å; F521-T525 WeakPolarHBondContact CE1-OG1 3.4Å; F521-T525 HydrophobicContact CE2-CG2 3.27Å; F521-T525 HydrophobicContact CG-CG2 4.33Å; F521-T525 HydrophobicContact CZ-CG2 3.26Å; F521-T525 WeakPolarHBondContact O-CB 3.28Å; F521-T525 PolarHBondContact O-N 2.98Å; F521-T525 PolarHBondContact O-OG1 3.18Å; T525-S527 PolarHBondContact O-N 3.45Å; T525-S527 VanDerWaalsContact O-N 3.15Å; T525-A528 PolarHBondContact O-N 3.06Å
526	T	43.6	Very low	53.6	Low	55 Å²	55	75.3 Å²	75.3	34%	0.337	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.6	158.5	19.9	0	0	0	0	112.2	M522 S523	M522-T526 PolarHBondContact O-OG1 2.94Å; S523-T526 PolarHBondContact O-OG1 3.23Å; S523-T526 VanDerWaalsContact O-OG1 3.13Å
527	S	45.1	Very low	53.2	Low	106 Å²	106	76.6 Å²	76.6	74%	0.741	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-11.1	179.1	-46.3	0	0	0	0	115.9	S524 T525	S524-S527 PolarHBondContact O-N 2.96Å; T525-S527 PolarHBondContact O-N 3.45Å; T525-S527 VanDerWaalsContact O-N 3.15Å
528	A	43.2	Very low	53.5	Low	87 Å²	87	82.2 Å²	82.2	72%	0.719	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	8.9	-163.5	0	0	0	0	0	117.8	T525	T525-A528 PolarHBondContact O-N 3.06Å
529	S	36.3	Very low	53.9	Low	65 Å²	65	80.6 Å²	80.6	46%	0.455	46%	0.459	S	S	.	.	S	Bend	trans	-130	145.1	169.8	65.7	0	0	0	0	111.1	T531 G532	S529-T531 PolarHBondContact O-N 3.36Å; S529-T531 PolarHBondContact OG-OG1 2.85Å; S529-G532 WeakPolarHBondContact O-CA 3.11Å; S529-G532 PolarHBondContact O-N 2.69Å
530	G	45.3	Very low	54.4	Low	72 Å²	72	79 Å²	79	74%	0.742	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-2.2	-172.4	0	0	0	0	0	116.6
531	T	41.5	Very low	55.3	Low	106 Å²	106	80.1 Å²	80.1	65%	0.65	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-24.8	167	48.6	0	0	0	0	112.7	S529 K534	S529-T531 PolarHBondContact O-N 3.36Å; S529-T531 PolarHBondContact OG-OG1 2.85Å; T531-K534 PolarHBondContact O-N 3.41Å
532	G	40.3	Very low	56.4	Low	5 Å²	5	82 Å²	82	5%	0.052	46%	0.46	C	S	.	.	H	α-helix	trans	-58.6	-45.4	167.4	0	0	0	0	0	111.4	S529 K534 R535 T536	S529-G532 WeakPolarHBondContact O-CA 3.11Å; S529-G532 PolarHBondContact O-N 2.69Å; G532-K534 PolarHBondContact O-N 2.83Å; G532-R535 CarbonylContact O-C 3.54Å; G532-R535 WeakPolarHBondContact O-CA 3.39Å; G532-R535 PolarHBondContact O-N 2.92Å; G532-T536 PolarHBondContact O-N 3.4Å; G532-T536 PolarHBondContact O-OG1 3.33Å
533	R	43.1	Very low	57.7	Low	147 Å²	147	81.5 Å²	81.5	56%	0.555	46%	0.456	S	S	*	.	H	α-helix	trans	-49.6	-37.6	176.7	-160.4	178.9	-167.7	179.5	6.3	113.1	I537 D592	R533-I537 HydrophobicContact CG-CD1 3.8Å; R533-I537 HydrophobicContact CG-CG1 4.46Å; R533-I537 WeakPolarHBondContact O-CB 3.32Å; R533-I537 VanDerWaalsContact O-CD1 3.32Å; R533-I537 WeakPolarHBondContact O-CD1 3.46Å; R533-I537 WeakPolarHBondContact O-CG1 3.49Å; R533-I537 PolarHBondContact O-N 2.93Å; R533-D592 IonicContact NH2-OD1 2.84Å; R533-D592 IonicContact NH2-OD2 3.75Å; R533-D592 PolarHBondContact NH2-OD2 3.34Å
534	K	45.5	Very low	58.9	Low	171 Å²	171	77.8 Å²	77.8	74%	0.743	43%	0.43	S	S	*	.	H	α-helix	trans	-76.2	-31.5	177.2	-73.5	-174.6	178.6	179	0	113.8	T531 G532 K538	T531-K534 PolarHBondContact O-N 3.41Å; G532-K534 PolarHBondContact O-N 2.83Å; K534-K538 VanDerWaalsContact O-CB 3.24Å; K534-K538 WeakPolarHBondContact O-CB 3.37Å; K534-K538 PolarHBondContact O-N 3.46Å
535	R	47.7	Very low	60.7	Low	127 Å²	127	75.5 Å²	75.5	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-74.6	-48.9	172.2	-87.5	-176.2	177.2	156.4	6.2	110.6	E408 G532 I537 K538 D539	E408-R535 IonicContact OE1-CZ 3.41Å; E408-R535 IonicContact OE1-NH1 2.79Å; E408-R535 IonicContact OE1-NH2 2.9Å; E408-R535 PolarHBondContact OE1-NH2 3.34Å; G532-R535 CarbonylContact O-C 3.54Å; G532-R535 WeakPolarHBondContact O-CA 3.39Å; G532-R535 PolarHBondContact O-N 2.92Å; R535-I537 PolarHBondContact O-N 3.28Å; R535-K538 WeakPolarHBondContact O-CA 3.34Å; R535-K538 WeakPolarHBondContact O-CB 3.03Å; R535-K538 PolarHBondContact O-N 3.46Å; R535-D539 VanDerWaalsContact O-CG 3.22Å; R535-D539 PolarHBondContact O-N 2.7Å
536	T	61.9	Low	62.7	Low	68 Å²	68	76.1 Å²	76.1	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-39.8	177.2	-21.9	0	0	0	0	112.3	G532 L540	G532-T536 PolarHBondContact O-N 3.4Å; G532-T536 PolarHBondContact O-OG1 3.33Å; T536-L540 WeakPolarHBondContact O-CB 3.34Å; T536-L540 PolarHBondContact O-N 3.29Å
537	I	69.3	Low	64.9	Low	44 Å²	44	75.3 Å²	75.3	23%	0.226	41%	0.41	C	S	.	.	H	α-helix	trans	-66.3	-38	172.9	-73	169	0	0	0	111.4	R533 R535 Q541 F588	R533-I537 HydrophobicContact CG-CD1 3.8Å; R533-I537 HydrophobicContact CG-CG1 4.46Å; R533-I537 WeakPolarHBondContact O-CB 3.32Å; R533-I537 VanDerWaalsContact O-CD1 3.32Å; R533-I537 WeakPolarHBondContact O-CD1 3.46Å; R533-I537 WeakPolarHBondContact O-CG1 3.49Å; R533-I537 PolarHBondContact O-N 2.93Å; R535-I537 PolarHBondContact O-N 3.28Å; I537-Q541 HydrophobicContact CG2-CG 4.13Å; I537-Q541 WeakPolarHBondContact O-CB 3.45Å; I537-Q541 WeakPolarHBondContact O-CG 3.48Å; I537-Q541 PolarHBondContact O-N 2.97Å; I537-F588 HydrophobicContact CD1-CZ 4.11Å; I537-F588 HydrophobicContact CG1-CE2 3.76Å; I537-F588 HydrophobicContact CG1-CZ 3.62Å
538	K	76.6	Confident	67	Low	132 Å²	132	70.3 Å²	70.3	57%	0.574	38%	0.375	S	S	*	.	H	α-helix	trans	-68.2	-42.2	179.7	-175.1	-173.5	174.1	-164.1	0	111.4	K534 R535 Q541 E542	K534-K538 VanDerWaalsContact O-CB 3.24Å; K534-K538 WeakPolarHBondContact O-CB 3.37Å; K534-K538 PolarHBondContact O-N 3.46Å; R535-K538 WeakPolarHBondContact O-CA 3.34Å; R535-K538 WeakPolarHBondContact O-CB 3.03Å; R535-K538 PolarHBondContact O-N 3.46Å; K538-Q541 PolarHBondContact O-N 2.93Å; K538-E542 PolarHBondContact O-N 3.26Å
539	D	79	Confident	69.2	Low	88 Å²	88	66.4 Å²	66.4	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-44.3	178.3	-59.9	-24.1	0	0	0	110.1	R535 Q541 E542 E543	R535-D539 VanDerWaalsContact O-CG 3.22Å; R535-D539 PolarHBondContact O-N 2.7Å; D539-Q541 PolarHBondContact O-N 2.68Å; D539-E542 PolarHBondContact O-N 2.99Å; D539-E542 VanDerWaalsContact O-N 3.14Å; D539-E543 PolarHBondContact O-N 3.07Å
540	L	81.5	Confident	71.7	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-57.4	-46.9	170.4	-171.2	90.4	0	0	0	111.8	T536 E542 E543 V544 L584 F588 I651	T536-L540 WeakPolarHBondContact O-CB 3.34Å; T536-L540 PolarHBondContact O-N 3.29Å; L540-E542 VanDerWaalsContact C-N 3.26Å; L540-E542 PolarHBondContact O-N 3.36Å; L540-E543 PolarHBondContact O-N 3.25Å; L540-V544 HydrophobicContact CG-CG2 4.24Å; L540-V544 WeakPolarHBondContact O-CB 3.46Å; L540-V544 WeakPolarHBondContact O-CG2 3.27Å; L540-V544 PolarHBondContact O-N 3.09Å; L540-L584 HydrophobicContact CD1-CD2 3.3Å; L540-L584 HydrophobicContact CD1-CG 3.95Å; L540-L584 HydrophobicContact CG-CD2 3.87Å; L540-F588 HydrophobicContact CD1-CB 3.92Å; L540-F588 HydrophobicContact CD1-CD2 4.34Å; L540-F588 HydrophobicContact CD1-CG 4.32Å; L540-F588 HydrophobicContact CD2-CB 3.74Å; L540-F588 HydrophobicContact CD2-CD1 3.78Å; L540-F588 HydrophobicContact CD2-CD2 3.51Å; L540-F588 HydrophobicContact CD2-CE1 4.25Å; L540-F588 HydrophobicContact CD2-CE2 4.01Å; L540-F588 HydrophobicContact CD2-CG 3.37Å; L540-F588 HydrophobicContact CD2-CZ 4.35Å; L540-F588 HydrophobicContact CG-CD2 4.46Å; L540-F588 HydrophobicContact CG-CG 4.48Å; L540-I651 HydrophobicContact CD2-CD1 3.94Å; L540-I651 HydrophobicContact CD2-CG1 4.34Å
541	Q	84.3	Confident	73.9	Confident	37 Å²	37	61.7 Å²	61.7	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-35.5	177.6	-81.4	175.4	2.3	0	0	111.7	I537 K538 D539 S545 I651	I537-Q541 HydrophobicContact CG2-CG 4.13Å; I537-Q541 WeakPolarHBondContact O-CB 3.45Å; I537-Q541 WeakPolarHBondContact O-CG 3.48Å; I537-Q541 PolarHBondContact O-N 2.97Å; K538-Q541 PolarHBondContact O-N 2.93Å; D539-Q541 PolarHBondContact O-N 2.68Å; Q541-S545 WeakPolarHBondContact O-CB 3.33Å; Q541-S545 PolarHBondContact O-N 3.36Å; Q541-S545 PolarHBondContact O-OG 2.71Å; Q541-I651 HydrophobicContact CG-CG2 4.05Å
542	E	85.3	Confident	76.1	Confident	96 Å²	96	60.1 Å²	60.1	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-70.2	-44.3	176.2	-175.4	155.3	-157.8	0	0	111.8	K538 D539 L540 S545 N546	K538-E542 PolarHBondContact O-N 3.26Å; D539-E542 PolarHBondContact O-N 2.99Å; D539-E542 VanDerWaalsContact O-N 3.14Å; L540-E542 VanDerWaalsContact C-N 3.26Å; L540-E542 PolarHBondContact O-N 3.36Å; E542-S545 PolarHBondContact O-N 2.94Å; E542-N546 WeakPolarHBondContact O-CB 3.16Å; E542-N546 PolarHBondContact O-N 3.41Å; E542-N546 PolarHBondContact O-ND2 3.44Å
543	E	84.9	Confident	78.4	Confident	113 Å²	113	60.3 Å²	60.3	53%	0.528	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-48.4	175.2	-72.3	-170.8	168	0	0	112.6	D539 L540 S545 N546 L547 L584	D539-E543 PolarHBondContact O-N 3.07Å; L540-E543 PolarHBondContact O-N 3.25Å; E543-S545 VanDerWaalsContact C-N 3.29Å; E543-S545 PolarHBondContact O-N 2.74Å; E543-N546 PolarHBondContact O-N 3.18Å; E543-N546 VanDerWaalsContact O-N 3.13Å; E543-L547 PolarHBondContact O-N 2.63Å; E543-L584 HydrophobicContact CB-CD1 4.16Å; E543-L584 WeakPolarHBondContact OE2-CD1 3.21Å
544	V	86.1	Confident	80.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-45.5	173.4	173.5	0	0	0	0	109.9	L540 N546 L547 Y548 I581 L584 I585 I651 V653	L540-V544 HydrophobicContact CG-CG2 4.24Å; L540-V544 WeakPolarHBondContact O-CB 3.46Å; L540-V544 WeakPolarHBondContact O-CG2 3.27Å; L540-V544 PolarHBondContact O-N 3.09Å; V544-N546 VanDerWaalsContact C-N 3.34Å; V544-N546 PolarHBondContact O-N 3.16Å; V544-L547 PolarHBondContact O-N 3.39Å; V544-Y548 WeakPolarHBondContact O-CB 3.43Å; V544-Y548 PolarHBondContact O-N 2.62Å; V544-I581 HydrophobicContact CG1-CD1 4.04Å; V544-I581 HydrophobicContact CG1-CG1 4.31Å; V544-L584 HydrophobicContact CG2-CD2 3.28Å; V544-I585 HydrophobicContact CG2-CG1 4.32Å; V544-I651 HydrophobicContact CB-CG2 4.36Å; V544-I651 HydrophobicContact CG1-CG2 4.12Å; V544-I651 HydrophobicContact CG2-CG2 4.33Å; V544-V653 HydrophobicContact CG1-CG2 3.91Å
545	S	88.5	Confident	82.7	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-36.9	178.4	-65.2	0	0	0	0	112.1	Q541 E542 E543 N549 K654	Q541-S545 WeakPolarHBondContact O-CB 3.33Å; Q541-S545 PolarHBondContact O-N 3.36Å; Q541-S545 PolarHBondContact O-OG 2.71Å; E542-S545 PolarHBondContact O-N 2.94Å; E543-S545 VanDerWaalsContact C-N 3.29Å; E543-S545 PolarHBondContact O-N 2.74Å; S545-N549 WeakPolarHBondContact O-CB 3.47Å; S545-N549 VanDerWaalsContact O-CG 3.27Å; S545-N549 PolarHBondContact O-N 3.29Å; S545-N549 PolarHBondContact O-ND2 2.89Å; S545-K654 PolarHBondContact OG-N 2.88Å
546	N	88.3	Confident	84.6	Confident	55 Å²	55	45.1 Å²	45.1	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-68.5	-48.2	177.7	-71	-21.1	0	0	0	111.3	E542 E543 V544 Y548 N549 N550 R660	E542-N546 WeakPolarHBondContact O-CB 3.16Å; E542-N546 PolarHBondContact O-N 3.41Å; E542-N546 PolarHBondContact O-ND2 3.44Å; E543-N546 PolarHBondContact O-N 3.18Å; E543-N546 VanDerWaalsContact O-N 3.13Å; V544-N546 VanDerWaalsContact C-N 3.34Å; V544-N546 PolarHBondContact O-N 3.16Å; N546-Y548 PolarHBondContact O-N 3.05Å; N546-N549 PolarHBondContact O-N 3.49Å; N546-N550 VanDerWaalsContact O-CG 3.24Å; N546-N550 PolarHBondContact O-N 3.45Å; N546-N550 PolarHBondContact O-ND2 2.92Å; N546-R660 PolarHBondContact OD1-NH2 3.35Å
547	L	88.8	Confident	85.8	Confident	39 Å²	39	41.9 Å²	41.9	20%	0.204	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-41.2	175.7	-68.9	178.4	0	0	0	111.8	E543 V544 N549 N550 I551 V577 I581 L584	E543-L547 PolarHBondContact O-N 2.63Å; V544-L547 PolarHBondContact O-N 3.39Å; L547-N549 PolarHBondContact O-N 2.92Å; L547-N550 WeakPolarHBondContact O-CB 3.5Å; L547-N550 PolarHBondContact O-N 3.07Å; L547-I551 VanDerWaalsContact O-CG1 3.3Å; L547-I551 WeakPolarHBondContact O-CG1 3.25Å; L547-I551 PolarHBondContact O-N 3.34Å; L547-V577 HydrophobicContact CD2-CG1 4.04Å; L547-I581 HydrophobicContact CB-CB 4.15Å; L547-I581 HydrophobicContact CB-CD1 3.87Å; L547-I581 HydrophobicContact CB-CG1 4.26Å; L547-I581 HydrophobicContact CD1-CB 3.99Å; L547-I581 HydrophobicContact CD1-CG1 4.46Å; L547-L584 HydrophobicContact CD1-CD1 4.4Å
548	Y	90.1	Very high	86.7	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-45.4	176	-175.7	-86.8	0	0	0	112.3	V544 N546 N550 I551 R552 I639 L642 D643 V653 R655	V544-Y548 WeakPolarHBondContact O-CB 3.43Å; V544-Y548 PolarHBondContact O-N 2.62Å; N546-Y548 PolarHBondContact O-N 3.05Å; Y548-N550 VanDerWaalsContact C-N 3.34Å; Y548-I551 PolarHBondContact O-N 2.83Å; Y548-R552 HydrophobicContact CE1-CG 4.29Å; Y548-R552 PolarHBondContact O-N 3.37Å; Y548-R552 VanDerWaalsContact O-N 3.16Å; Y548-R552 PolarHBondContact OH-NE 2.91Å; Y548-R552 PolarHBondContact OH-NH2 3.37Å; Y548-R552 VanDerWaalsContact OH-NH2 3.16Å; Y548-I639 HydrophobicContact CE2-CG2 4.01Å; Y548-I639 WeakPolarHBondContact OH-CG2 3.41Å; Y548-L642 HydrophobicContact CD2-CD2 3.63Å; Y548-L642 HydrophobicContact CD2-CG 4.39Å; Y548-L642 HydrophobicContact CE2-CD2 4.09Å; Y548-D643 WeakPolarHBondContact CE2-OD1 3.17Å; Y548-D643 VanDerWaalsContact CZ-OD1 3.26Å; Y548-D643 PolarHBondContact OH-OD1 2.64Å; Y548-D643 PolarHBondContact OH-OD2 3.24Å; Y548-V653 HydrophobicContact CD1-CG1 3.72Å; Y548-V653 HydrophobicContact CD2-CG1 3.68Å; Y548-V653 HydrophobicContact CE1-CG1 4.13Å; Y548-V653 HydrophobicContact CE2-CG1 4.08Å; Y548-V653 HydrophobicContact CG-CG1 3.48Å; Y548-V653 VanDerWaalsContact CG-CG1 3.48Å; Y548-R655 HydrophobicContact CE1-CG 4.18Å
549	N	89.3	Confident	87.2	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-35.1	177.3	-72.8	-50	0	0	0	111.9	S545 N546 L547 R552 L553 K654 G656 I664	S545-N549 WeakPolarHBondContact O-CB 3.47Å; S545-N549 VanDerWaalsContact O-CG 3.27Å; S545-N549 PolarHBondContact O-N 3.29Å; S545-N549 PolarHBondContact O-ND2 2.89Å; N546-N549 PolarHBondContact O-N 3.49Å; L547-N549 PolarHBondContact O-N 2.92Å; N549-R552 PolarHBondContact O-N 2.65Å; N549-L553 WeakPolarHBondContact O-CB 3.07Å; N549-L553 VanDerWaalsContact O-CG 3.29Å; N549-L553 WeakPolarHBondContact O-CG 3.4Å; N549-L553 PolarHBondContact O-N 3.06Å; N549-K654 PolarHBondContact ND2-O 3.1Å; N549-K654 VanDerWaalsContact ND2-O 3.09Å; N549-G656 WeakPolarHBondContact OD1-CA 3.47Å; N549-G656 PolarHBondContact OD1-N 3.13Å; N549-I664 HydrophobicContact CB-CD1 3.66Å
550	N	89.4	Confident	87.6	Confident	38 Å²	38	39.3 Å²	39.3	20%	0.203	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-47.5	172.1	-71.5	-17.7	0	0	0	111.5	N546 L547 Y548 R552 L553 F554 I664	N546-N550 VanDerWaalsContact O-CG 3.24Å; N546-N550 PolarHBondContact O-N 3.45Å; N546-N550 PolarHBondContact O-ND2 2.92Å; L547-N550 WeakPolarHBondContact O-CB 3.5Å; L547-N550 PolarHBondContact O-N 3.07Å; Y548-N550 VanDerWaalsContact C-N 3.34Å; N550-R552 VanDerWaalsContact C-N 3.34Å; N550-R552 PolarHBondContact O-N 3.26Å; N550-L553 PolarHBondContact O-N 3.21Å; N550-L553 VanDerWaalsContact O-N 3.12Å; N550-F554 HydrophobicContact CB-CD2 4.29Å; N550-F554 HydrophobicContact CB-CE2 3.88Å; N550-F554 WeakPolarHBondContact O-CD2 3.36Å; N550-F554 VanDerWaalsContact O-CG 3.31Å; N550-F554 WeakPolarHBondContact O-CG 3.49Å; N550-F554 PolarHBondContact O-N 3.33Å; N550-I664 WeakPolarHBondContact OD1-CG2 3.42Å
551	I	90	Very high	87.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-56.7	-46.9	178.4	-68.4	163.7	0	0	0	110.8	L547 Y548 L553 F554 E555 L573 V577 I581 I635 F638 I639	L547-I551 VanDerWaalsContact O-CG1 3.3Å; L547-I551 WeakPolarHBondContact O-CG1 3.25Å; L547-I551 PolarHBondContact O-N 3.34Å; Y548-I551 PolarHBondContact O-N 2.83Å; I551-L553 VanDerWaalsContact C-N 3.35Å; I551-L553 PolarHBondContact O-N 3.3Å; I551-F554 PolarHBondContact O-N 3.39Å; I551-E555 WeakPolarHBondContact O-CB 3.34Å; I551-E555 PolarHBondContact O-N 2.99Å; I551-L573 HydrophobicContact CG2-CD2 4.28Å; I551-V577 HydrophobicContact CD1-CG1 4.2Å; I551-V577 HydrophobicContact CG1-CB 4.34Å; I551-V577 HydrophobicContact CG1-CG1 3.73Å; I551-I581 HydrophobicContact CD1-CD1 4.32Å; I551-I581 HydrophobicContact CD1-CG2 3.83Å; I551-I635 HydrophobicContact CG2-CG2 4.1Å; I551-F638 HydrophobicContact CD1-CE1 4.2Å; I551-I639 HydrophobicContact CG2-CD1 4.24Å; I551-I639 HydrophobicContact CG2-CG1 4.28Å
552	R	88.3	Confident	87.8	Confident	73 Å²	73	40.9 Å²	40.9	28%	0.275	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-39.1	176.7	-77.4	-172.9	164.5	-146.9	-5.1	113.3	Y548 N549 N550 K556 I639	Y548-R552 HydrophobicContact CE1-CG 4.29Å; Y548-R552 PolarHBondContact O-N 3.37Å; Y548-R552 VanDerWaalsContact O-N 3.16Å; Y548-R552 PolarHBondContact OH-NE 2.91Å; Y548-R552 PolarHBondContact OH-NH2 3.37Å; Y548-R552 VanDerWaalsContact OH-NH2 3.16Å; N549-R552 PolarHBondContact O-N 2.65Å; N550-R552 VanDerWaalsContact C-N 3.34Å; N550-R552 PolarHBondContact O-N 3.26Å; R552-K556 WeakPolarHBondContact O-CG 3.33Å; R552-K556 PolarHBondContact O-N 3.46Å; R552-I639 HydrophobicContact CG-CD1 4.15Å
553	L	88.8	Confident	87.6	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-73.4	-33.9	179.4	-71.7	167.7	0	0	0	111.8	N549 N550 I551 K556 G557 E661 I664 M701	N549-L553 WeakPolarHBondContact O-CB 3.07Å; N549-L553 VanDerWaalsContact O-CG 3.29Å; N549-L553 WeakPolarHBondContact O-CG 3.4Å; N549-L553 PolarHBondContact O-N 3.06Å; N550-L553 PolarHBondContact O-N 3.21Å; N550-L553 VanDerWaalsContact O-N 3.12Å; I551-L553 VanDerWaalsContact C-N 3.35Å; I551-L553 PolarHBondContact O-N 3.3Å; L553-K556 HydrophobicContact CD2-CD 4.32Å; L553-G557 PolarHBondContact O-N 3.41Å; L553-E661 HydrophobicContact CD1-CB 4.45Å; L553-E661 HydrophobicContact CD1-CG 4.41Å; L553-E661 HydrophobicContact CD2-CB 4.22Å; L553-E661 HydrophobicContact CD2-CG 4.05Å; L553-I664 HydrophobicContact CD1-CB 4.16Å; L553-I664 HydrophobicContact CD1-CD1 4.43Å; L553-I664 HydrophobicContact CD1-CG2 3.86Å; L553-M701 HydrophobicContact CB-CE 3.27Å; L553-M701 HydrophobicContact CD1-CE 3.43Å; L553-M701 VanDerWaalsContact CD1-CE 3.43Å; L553-M701 HydrophobicContact CG-CE 3.94Å
554	F	90.7	Very high	87.5	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-41.1	171.2	-66.6	-46.2	0	0	0	112	N550 I551 K556 G557 M558 L573 V577 H668 M701 H703	N550-F554 HydrophobicContact CB-CD2 4.29Å; N550-F554 HydrophobicContact CB-CE2 3.88Å; N550-F554 WeakPolarHBondContact O-CD2 3.36Å; N550-F554 VanDerWaalsContact O-CG 3.31Å; N550-F554 WeakPolarHBondContact O-CG 3.49Å; N550-F554 PolarHBondContact O-N 3.33Å; I551-F554 PolarHBondContact O-N 3.39Å; F554-K556 VanDerWaalsContact C-N 3.3Å; F554-K556 PolarHBondContact O-N 3.27Å; F554-G557 WeakPolarHBondContact O-CA 3.3Å; F554-G557 PolarHBondContact O-N 3.47Å; F554-M558 VanDerWaalsContact O-CG 3.27Å; F554-M558 WeakPolarHBondContact O-CG 3.48Å; F554-M558 PolarHBondContact O-N 3.36Å; F554-L573 HydrophobicContact CB-CD1 4.12Å; F554-L573 HydrophobicContact CB-CD2 4.01Å; F554-L573 HydrophobicContact CD2-CD1 3.75Å; F554-L573 HydrophobicContact CG-CD1 4.27Å; F554-V577 HydrophobicContact CE2-CG2 4.26Å; F554-H668 AromaticContact CE1-NE2 3.74Å; F554-H668 AromaticContact CZ-NE2 3.82Å; F554-M701 HydrophobicContact CD1-CB 3.61Å; F554-M701 HydrophobicContact CE1-CB 3.55Å; F554-H703 HydrophobicContact CB-CB 4.45Å; F554-H703 HydrophobicContact CD1-CB 3.62Å; F554-H703 HydrophobicContact CD2-CB 3.89Å; F554-H703 HydrophobicContact CE1-CB 3.67Å; F554-H703 HydrophobicContact CE2-CB 3.94Å; F554-H703 HydrophobicContact CG-CB 3.74Å; F554-H703 HydrophobicContact CZ-CB 3.85Å
555	E	88.8	Confident	87.4	Confident	28 Å²	28	45 Å²	45	13%	0.131	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-42.8	174.8	-168.3	-147.5	141.3	0	0	111.6	I551 G557 M558 K559 I635	I551-E555 WeakPolarHBondContact O-CB 3.34Å; I551-E555 PolarHBondContact O-N 2.99Å; E555-G557 VanDerWaalsContact C-N 3.33Å; E555-G557 PolarHBondContact O-N 2.88Å; E555-M558 PolarHBondContact O-N 3.4Å; E555-K559 PolarHBondContact O-N 3.49Å; E555-K559 VanDerWaalsContact OE1-CE 3.23Å; E555-K559 WeakPolarHBondContact OE1-CE 3.43Å; E555-K559 IonicContact OE1-NZ 3.55Å; E555-K559 PolarHBondContact OE1-NZ 3.35Å; E555-I635 HydrophobicContact CB-CG2 4.32Å; E555-I635 HydrophobicContact CG-CB 4.33Å; E555-I635 HydrophobicContact CG-CD1 4.32Å; E555-I635 HydrophobicContact CG-CG2 4.02Å
556	K	87.9	Confident	87.3	Confident	90 Å²	90	47.5 Å²	47.5	39%	0.391	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-40.5	173.2	-72.1	174.4	-178.1	173.4	0	112.4	R552 L553 F554 M558 E661	R552-K556 WeakPolarHBondContact O-CG 3.33Å; R552-K556 PolarHBondContact O-N 3.46Å; L553-K556 HydrophobicContact CD2-CD 4.32Å; F554-K556 VanDerWaalsContact C-N 3.3Å; F554-K556 PolarHBondContact O-N 3.27Å; K556-M558 VanDerWaalsContact C-N 3.35Å; K556-E661 IonicContact NZ-OE1 3.29Å; K556-E661 PolarHBondContact NZ-OE1 2.95Å; K556-E661 IonicContact NZ-OE2 2.75Å; K556-E661 PolarHBondContact NZ-OE2 3.34Å
557	G	86.9	Confident	87.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.6	-31.7	178.5	0	0	0	0	0	113.5	L553 F554 E555 K559 F560	L553-G557 PolarHBondContact O-N 3.41Å; F554-G557 WeakPolarHBondContact O-CA 3.3Å; F554-G557 PolarHBondContact O-N 3.47Å; E555-G557 VanDerWaalsContact C-N 3.33Å; E555-G557 PolarHBondContact O-N 2.88Å; G557-K559 VanDerWaalsContact C-N 3.34Å; G557-K559 PolarHBondContact O-N 2.99Å; G557-F560 WeakPolarHBondContact O-CD2 3.4Å
558	M	87.6	Confident	87.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-72.1	-26	-179.9	-68.3	169.7	44.6	0	0	113.8	F554 E555 K556 F560 F561 Q566 L569 T570 L573 I635 L702	F554-M558 VanDerWaalsContact O-CG 3.27Å; F554-M558 WeakPolarHBondContact O-CG 3.48Å; F554-M558 PolarHBondContact O-N 3.36Å; E555-M558 PolarHBondContact O-N 3.4Å; K556-M558 VanDerWaalsContact C-N 3.35Å; M558-F560 PolarHBondContact O-N 2.87Å; M558-F560 VanDerWaalsContact O-N 3.12Å; M558-F561 PolarHBondContact O-N 3.11Å; M558-Q566 HydrophobicContact CB-CG 4.41Å; M558-Q566 HydrophobicContact CE-CG 4.34Å; M558-L569 HydrophobicContact CB-CD1 4.44Å; M558-L569 HydrophobicContact CE-CB 3.69Å; M558-L569 HydrophobicContact CG-CB 3.84Å; M558-L569 HydrophobicContact CG-CD1 4.04Å; M558-L569 HydrophobicContact SD-CB 3.95Å; M558-T570 VanDerWaalsContact CE-CA 3.43Å; M558-T570 WeakPolarHBondContact CE-OG1 3.47Å; M558-L573 HydrophobicContact SD-CD2 4.06Å; M558-I635 HydrophobicContact CE-CD1 3.47Å; M558-I635 VanDerWaalsContact CE-CD1 3.47Å; M558-I635 HydrophobicContact SD-CD1 3.77Å; M558-L702 HydrophobicContact CG-CD1 4.31Å
559	K	87.4	Confident	87.1	Confident	111 Å²	111	46.9 Å²	46.9	48%	0.483	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.7	178.4	-68.2	179.3	-173.5	-177.5	0	113.8	E555 G557 F561 E636	E555-K559 PolarHBondContact O-N 3.49Å; E555-K559 VanDerWaalsContact OE1-CE 3.23Å; E555-K559 WeakPolarHBondContact OE1-CE 3.43Å; E555-K559 IonicContact OE1-NZ 3.55Å; E555-K559 PolarHBondContact OE1-NZ 3.35Å; G557-K559 VanDerWaalsContact C-N 3.34Å; G557-K559 PolarHBondContact O-N 2.99Å; K559-F561 VanDerWaalsContact C-N 3.35Å; K559-E636 IonicContact NZ-OE1 3.36Å
560	F	86.1	Confident	87.1	Confident	97 Å²	97	47.3 Å²	47.3	43%	0.425	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.2	175	-72.2	-84.9	0	0	0	114	G557 M558 F694 T700 F715	G557-F560 WeakPolarHBondContact O-CD2 3.4Å; M558-F560 PolarHBondContact O-N 2.87Å; M558-F560 VanDerWaalsContact O-N 3.12Å; F560-F694 HydrophobicContact CB-CE2 4.35Å; F560-F694 HydrophobicContact CB-CZ 4.24Å; F560-F694 HydrophobicContact CD2-CZ 4.17Å; F560-F694 HydrophobicContact CG-CZ 4.37Å; F560-T700 HydrophobicContact CE2-CG2 3.91Å; F560-T700 HydrophobicContact CZ-CG2 4.45Å; F560-F715 HydrophobicContact CB-CE2 4.06Å; F560-F715 HydrophobicContact CB-CZ 4.12Å; F560-F715 HydrophobicContact CD1-CZ 4.13Å; F560-F715 HydrophobicContact CG-CZ 4.42Å
561	F	87.3	Confident	87.1	Confident	19 Å²	19	51 Å²	51	8%	0.083	27%	0.266	C	S	.	.	S	Bend	trans	-107.2	158.4	-176.7	-62.9	-84.1	0	0	0	111.8	M558 K559 T565 L569 F694 L702 I712 F715	M558-F561 PolarHBondContact O-N 3.11Å; K559-F561 VanDerWaalsContact C-N 3.35Å; F561-T565 HydrophobicContact CB-CG2 3.97Å; F561-T565 HydrophobicContact CD1-CG2 3.99Å; F561-T565 HydrophobicContact CG-CG2 4.06Å; F561-L569 HydrophobicContact CD2-CD1 3.74Å; F561-L569 HydrophobicContact CE2-CD1 4.19Å; F561-L569 HydrophobicContact CG-CD1 4.19Å; F561-F694 HydrophobicContact CE2-CD2 4.4Å; F561-F694 AromaticContact CE2-CE2 3.64Å; F561-F694 HydrophobicContact CE2-CE2 3.64Å; F561-F694 AromaticContact CE2-CZ 3.85Å; F561-F694 HydrophobicContact CE2-CZ 3.85Å; F561-F694 AromaticContact CZ-CD2 3.92Å; F561-F694 HydrophobicContact CZ-CD2 3.92Å; F561-F694 AromaticContact CZ-CE2 3.52Å; F561-F694 HydrophobicContact CZ-CE2 3.52Å; F561-F694 HydrophobicContact CZ-CZ 4.2Å; F561-L702 HydrophobicContact CD2-CD1 4.49Å; F561-L702 HydrophobicContact CE2-CD1 3.78Å; F561-L702 HydrophobicContact CE2-CD2 3.75Å; F561-L702 HydrophobicContact CE2-CG 4.44Å; F561-L702 HydrophobicContact CZ-CD2 3.75Å; F561-I712 HydrophobicContact CE1-CG1 4.07Å; F561-I712 HydrophobicContact CZ-CG1 3.89Å; F561-F715 HydrophobicContact CE1-CB 3.97Å; F561-F715 HydrophobicContact CE1-CG 4.27Å
562	A	83.8	Confident	87.1	Confident	73 Å²	73	53.6 Å²	53.6	60%	0.603	28%	0.278	S	S	*	.			trans	-66.9	156.8	174.2	0	0	0	0	0	112.3	D564 T565 Q566	A562-D564 VanDerWaalsContact C-N 3.27Å; A562-D564 PolarHBondContact O-N 2.84Å; A562-T565 PolarHBondContact O-N 2.84Å; A562-Q566 PolarHBondContact O-N 2.95Å
563	D	81.1	Confident	87.2	Confident	133 Å²	133	50.1 Å²	50.1	71%	0.711	27%	0.265	S	S	*	.	H	α-helix	trans	-48	-41.4	-171.5	-67	-16.5	0	0	0	114.3	Q566 A567	D563-Q566 PolarHBondContact O-N 2.81Å; D563-A567 WeakPolarHBondContact O-CB 3.39Å; D563-A567 PolarHBondContact O-N 2.62Å
564	D	82.5	Confident	87.2	Confident	143 Å²	143	49.8 Å²	49.8	77%	0.765	26%	0.263	S	S	*	.	H	α-helix	trans	-66.7	-40.7	180	-70.6	-25.7	0	0	0	113	A562 A568	A562-D564 VanDerWaalsContact C-N 3.27Å; A562-D564 PolarHBondContact O-N 2.84Å; D564-A568 PolarHBondContact O-N 3.28Å
565	T	84.8	Confident	87.2	Confident	20 Å²	20	55.7 Å²	55.7	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-75.3	-39.1	178.1	-57.6	0	0	0	0	110	F561 A562 A567 A568 L569 Q711	F561-T565 HydrophobicContact CB-CG2 3.97Å; F561-T565 HydrophobicContact CD1-CG2 3.99Å; F561-T565 HydrophobicContact CG-CG2 4.06Å; A562-T565 PolarHBondContact O-N 2.84Å; T565-A567 VanDerWaalsContact C-N 3.32Å; T565-A567 PolarHBondContact O-N 3.19Å; T565-A568 PolarHBondContact O-N 2.99Å; T565-A568 VanDerWaalsContact O-N 3.15Å; T565-L569 HydrophobicContact CG2-CD1 4.09Å; T565-L569 HydrophobicContact CG2-CG 4.44Å; T565-L569 VanDerWaalsContact O-CG 3.3Å; T565-L569 WeakPolarHBondContact O-CG 3.33Å; T565-L569 PolarHBondContact O-N 3.12Å; T565-Q711 HydrophobicContact CG2-CB 3.95Å; T565-Q711 HydrophobicContact CG2-CG 4.29Å
566	Q	86.4	Confident	87.2	Confident	55 Å²	55	55.4 Å²	55.4	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-43.8	173.7	-170.9	177.5	-9.2	0	0	111	M558 A562 D563 A568 L569 T570	M558-Q566 HydrophobicContact CB-CG 4.41Å; M558-Q566 HydrophobicContact CE-CG 4.34Å; A562-Q566 PolarHBondContact O-N 2.95Å; D563-Q566 PolarHBondContact O-N 2.81Å; Q566-A568 VanDerWaalsContact C-N 3.33Å; Q566-A568 PolarHBondContact O-N 2.74Å; Q566-L569 PolarHBondContact O-N 3.34Å; Q566-T570 WeakPolarHBondContact O-CB 3.36Å; Q566-T570 PolarHBondContact O-N 3.26Å; Q566-T570 PolarHBondContact O-OG1 3.37Å
567	A	87.2	Confident	87.3	Confident	59 Å²	59	51.9 Å²	51.9	49%	0.488	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-39.1	175.3	0	0	0	0	0	112.9	D563 T565 K571	D563-A567 WeakPolarHBondContact O-CB 3.39Å; D563-A567 PolarHBondContact O-N 2.62Å; T565-A567 VanDerWaalsContact C-N 3.32Å; T565-A567 PolarHBondContact O-N 3.19Å; A567-K571 WeakPolarHBondContact O-CB 3.31Å; A567-K571 PolarHBondContact O-N 2.94Å
568	A	87.4	Confident	87.4	Confident	21 Å²	21	51.9 Å²	51.9	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-36	176.9	0	0	0	0	0	112.9	D564 T565 Q566 H572 R707	D564-A568 PolarHBondContact O-N 3.28Å; T565-A568 PolarHBondContact O-N 2.99Å; T565-A568 VanDerWaalsContact O-N 3.15Å; Q566-A568 VanDerWaalsContact C-N 3.33Å; Q566-A568 PolarHBondContact O-N 2.74Å; A568-H572 PolarHBondContact O-N 2.71Å; A568-R707 PolarHBondContact O-NH2 3.44Å
569	L	88.3	Confident	87.5	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-71.9	-42.7	174.4	-68	169.3	0	0	0	111.3	M558 F561 T565 Q566 K571 H572 L573 L702 A704 C708	M558-L569 HydrophobicContact CB-CD1 4.44Å; M558-L569 HydrophobicContact CE-CB 3.69Å; M558-L569 HydrophobicContact CG-CB 3.84Å; M558-L569 HydrophobicContact CG-CD1 4.04Å; M558-L569 HydrophobicContact SD-CB 3.95Å; F561-L569 HydrophobicContact CD2-CD1 3.74Å; F561-L569 HydrophobicContact CE2-CD1 4.19Å; F561-L569 HydrophobicContact CG-CD1 4.19Å; T565-L569 HydrophobicContact CG2-CD1 4.09Å; T565-L569 HydrophobicContact CG2-CG 4.44Å; T565-L569 VanDerWaalsContact O-CG 3.3Å; T565-L569 WeakPolarHBondContact O-CG 3.33Å; T565-L569 PolarHBondContact O-N 3.12Å; Q566-L569 PolarHBondContact O-N 3.34Å; L569-K571 PolarHBondContact O-N 2.92Å; L569-H572 WeakPolarHBondContact O-CB 3.3Å; L569-H572 PolarHBondContact O-N 3.31Å; L569-H572 VanDerWaalsContact O-N 3.08Å; L569-L573 PolarHBondContact O-N 2.64Å; L569-L702 HydrophobicContact CD1-CD1 4.07Å; L569-L702 HydrophobicContact CD2-CD1 4.38Å; L569-A704 HydrophobicContact CD2-CB 3.48Å; L569-A704 VanDerWaalsContact CD2-CB 3.48Å; L569-C708 HydrophobicContact CD2-CB 4.22Å
570	T	88.9	Confident	87.6	Confident	13 Å²	13	51.2 Å²	51.2	8%	0.08	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-49.5	175.6	-62.6	0	0	0	0	110.8	M558 Q566 H572 L573 L574 K633 I635	M558-T570 VanDerWaalsContact CE-CA 3.43Å; M558-T570 WeakPolarHBondContact CE-OG1 3.47Å; Q566-T570 WeakPolarHBondContact O-CB 3.36Å; Q566-T570 PolarHBondContact O-N 3.26Å; Q566-T570 PolarHBondContact O-OG1 3.37Å; T570-H572 PolarHBondContact O-N 2.86Å; T570-L573 PolarHBondContact O-N 3.49Å; T570-L574 HydrophobicContact CG2-CD1 3.91Å; T570-L574 HydrophobicContact CG2-CG 4.44Å; T570-L574 WeakPolarHBondContact O-CB 3.2Å; T570-L574 WeakPolarHBondContact O-CG 3.48Å; T570-L574 PolarHBondContact O-N 3.33Å; T570-K633 VanDerWaalsContact CG2-O 3.28Å; T570-K633 WeakPolarHBondContact CG2-O 3.19Å; T570-I635 HydrophobicContact CG2-CD1 4.01Å; T570-I635 HydrophobicContact CG2-CG1 3.75Å
571	K	89.6	Confident	87.7	Confident	117 Å²	117	46.6 Å²	46.6	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-34.5	177.6	-173.8	175.5	-177.2	175.2	0	112.5	A567 L569 K575	A567-K571 WeakPolarHBondContact O-CB 3.31Å; A567-K571 PolarHBondContact O-N 2.94Å; L569-K571 PolarHBondContact O-N 2.92Å; K571-K575 WeakPolarHBondContact O-CB 3.36Å; K571-K575 WeakPolarHBondContact O-CG 2.97Å; K571-K575 PolarHBondContact O-N 3.44Å
572	H	89.5	Confident	87.8	Confident	54 Å²	54	45.7 Å²	45.7	25%	0.25	26%	0.255	C	S	.	.	H	α-helix	trans	-72.8	-46.4	178.4	-176.2	-105.9	0	0	0	111.6	A568 L569 T570 L574 K575 S576 H703 P705	A568-H572 PolarHBondContact O-N 2.71Å; L569-H572 WeakPolarHBondContact O-CB 3.3Å; L569-H572 PolarHBondContact O-N 3.31Å; L569-H572 VanDerWaalsContact O-N 3.08Å; T570-H572 PolarHBondContact O-N 2.86Å; H572-L574 VanDerWaalsContact C-N 3.32Å; H572-L574 PolarHBondContact O-N 2.87Å; H572-K575 PolarHBondContact O-N 2.98Å; H572-K575 VanDerWaalsContact O-N 3.13Å; H572-S576 WeakPolarHBondContact O-CB 3.18Å; H572-S576 PolarHBondContact O-N 2.98Å; H572-S576 VanDerWaalsContact O-N 3.07Å; H572-S576 PolarHBondContact O-OG 2.89Å; H572-H703 AromaticContact CE1-CD2 3.59Å; H572-H703 AromaticContact CE1-CE1 3.87Å; H572-H703 AromaticContact CE1-NE2 3.19Å; H572-H703 PolarHBondContact CE1-NE2 2.72Å; H572-H703 AromaticContact ND1-CD2 3.42Å; H572-H703 PolarHBondContact ND1-CD2 2.87Å; H572-H703 AromaticContact ND1-NE2 3.53Å; H572-P705 HydrophobicContact CB-CB 4.45Å; H572-P705 HydrophobicContact CB-CG 3.97Å
573	L	89.7	Confident	88.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-41.9	178.5	-172.1	64	0	0	0	111.6	I551 F554 M558 L569 T570 K575 S576 V577 C578 I635 H703	I551-L573 HydrophobicContact CG2-CD2 4.28Å; F554-L573 HydrophobicContact CB-CD1 4.12Å; F554-L573 HydrophobicContact CB-CD2 4.01Å; F554-L573 HydrophobicContact CD2-CD1 3.75Å; F554-L573 HydrophobicContact CG-CD1 4.27Å; M558-L573 HydrophobicContact SD-CD2 4.06Å; L569-L573 PolarHBondContact O-N 2.64Å; T570-L573 PolarHBondContact O-N 3.49Å; L573-K575 VanDerWaalsContact C-N 3.31Å; L573-K575 PolarHBondContact O-N 3.49Å; L573-S576 WeakPolarHBondContact CA-OG 3.29Å; L573-S576 PolarHBondContact O-N 3.36Å; L573-S576 PolarHBondContact O-OG 3.32Å; L573-V577 HydrophobicContact CD1-CB 3.95Å; L573-V577 HydrophobicContact CD1-CG2 4.01Å; L573-V577 PolarHBondContact O-N 3.38Å; L573-C578 WeakPolarHBondContact O-CB 3.35Å; L573-C578 PolarHBondContact O-N 3.49Å; L573-C578 VanDerWaalsContact O-N 3.11Å; L573-C578 PolarHBondContact O-SG 3.02Å; L573-I635 HydrophobicContact CD2-CD1 3.72Å; L573-I635 HydrophobicContact CD2-CG1 4.35Å; L573-H703 HydrophobicContact CD1-CB 4.31Å
574	L	90.4	Very high	88.4	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-39.6	175.1	-72.3	172.4	0	0	0	112.5	T570 H572 C578 T579 L630 E632 F638	T570-L574 HydrophobicContact CG2-CD1 3.91Å; T570-L574 HydrophobicContact CG2-CG 4.44Å; T570-L574 WeakPolarHBondContact O-CB 3.2Å; T570-L574 WeakPolarHBondContact O-CG 3.48Å; T570-L574 PolarHBondContact O-N 3.33Å; H572-L574 VanDerWaalsContact C-N 3.32Å; H572-L574 PolarHBondContact O-N 2.87Å; L574-C578 HydrophobicContact CD2-CB 4.27Å; L574-C578 WeakPolarHBondContact O-CB 3.18Å; L574-T579 PolarHBondContact O-N 2.64Å; L574-T579 PolarHBondContact O-OG1 2.87Å; L574-L630 WeakPolarHBondContact O-CD2 3.3Å; L574-E632 WeakPolarHBondContact CD1-O 3.09Å; L574-F638 HydrophobicContact CD2-CB 3.82Å; L574-F638 HydrophobicContact CD2-CD1 4.5Å; L574-F638 HydrophobicContact CD2-CD2 4.04Å; L574-F638 HydrophobicContact CD2-CG 3.85Å
575	K	89.7	Confident	88.5	Confident	131 Å²	131	30 Å²	30	57%	0.57	16%	0.161	S	C	*	.	H	α-helix	trans	-85.6	-5.1	-178.1	-71.5	-171.2	173.8	-152.5	0	115.3	K571 H572 L573	K571-K575 WeakPolarHBondContact O-CB 3.36Å; K571-K575 WeakPolarHBondContact O-CG 2.97Å; K571-K575 PolarHBondContact O-N 3.44Å; H572-K575 PolarHBondContact O-N 2.98Å; H572-K575 VanDerWaalsContact O-N 3.13Å; L573-K575 VanDerWaalsContact C-N 3.31Å; L573-K575 PolarHBondContact O-N 3.49Å
576	S	89.1	Confident	88.5	Confident	23 Å²	23	29.1 Å²	29.1	16%	0.161	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-102.8	-179	52.1	0	0	0	0	109	H572 L573 C578 T579 D580 H703	H572-S576 WeakPolarHBondContact O-CB 3.18Å; H572-S576 PolarHBondContact O-N 2.98Å; H572-S576 VanDerWaalsContact O-N 3.07Å; H572-S576 PolarHBondContact O-OG 2.89Å; L573-S576 WeakPolarHBondContact CA-OG 3.29Å; L573-S576 PolarHBondContact O-N 3.36Å; L573-S576 PolarHBondContact O-OG 3.32Å; S576-C578 VanDerWaalsContact C-N 3.28Å; S576-C578 PolarHBondContact O-N 3.42Å; S576-C578 VanDerWaalsContact O-N 3.14Å; S576-T579 CarbonylContact O-C 3.53Å; S576-T579 WeakPolarHBondContact O-CA 3.1Å; S576-T579 WeakPolarHBondContact O-CB 3.27Å; S576-T579 PolarHBondContact O-N 3.34Å; S576-D580 PolarHBondContact O-N 3.3Å; S576-H703 PolarHBondContact OG-CD2 2.83Å; S576-H703 PolarHBondContact OG-NE2 3.39Å; S576-H703 VanDerWaalsContact OG-NE2 3.09Å
577	V	88.9	Confident	88.4	Confident	15 Å²	15	27.6 Å²	27.6	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-55.8	-38.3	-173.6	-171.1	0	0	0	0	113	L547 I551 F554 L573 D580 I581	L547-V577 HydrophobicContact CD2-CG1 4.04Å; I551-V577 HydrophobicContact CD1-CG1 4.2Å; I551-V577 HydrophobicContact CG1-CB 4.34Å; I551-V577 HydrophobicContact CG1-CG1 3.73Å; F554-V577 HydrophobicContact CE2-CG2 4.26Å; L573-V577 HydrophobicContact CD1-CB 3.95Å; L573-V577 HydrophobicContact CD1-CG2 4.01Å; L573-V577 PolarHBondContact O-N 3.38Å; V577-D580 PolarHBondContact O-N 3.03Å; V577-I581 WeakPolarHBondContact O-CG2 3.42Å; V577-I581 PolarHBondContact O-N 2.95Å
578	C	89.9	Confident	88.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.3	-33.2	175.6	-68.3	0	0	0	0	112.7	L573 L574 S576 I581 T582 L630 F638	L573-C578 WeakPolarHBondContact O-CB 3.35Å; L573-C578 PolarHBondContact O-N 3.49Å; L573-C578 VanDerWaalsContact O-N 3.11Å; L573-C578 PolarHBondContact O-SG 3.02Å; L574-C578 HydrophobicContact CD2-CB 4.27Å; L574-C578 WeakPolarHBondContact O-CB 3.18Å; S576-C578 VanDerWaalsContact C-N 3.28Å; S576-C578 PolarHBondContact O-N 3.42Å; S576-C578 VanDerWaalsContact O-N 3.14Å; C578-I581 WeakPolarHBondContact O-CG2 3.27Å; C578-T582 WeakPolarHBondContact O-CB 3.39Å; C578-T582 PolarHBondContact O-N 2.87Å; C578-T582 PolarHBondContact O-OG1 3.43Å; C578-L630 HydrophobicContact CB-CD2 3.78Å; C578-F638 HydrophobicContact CB-CD1 4.23Å; C578-F638 HydrophobicContact CB-CD2 4.47Å; C578-F638 HydrophobicContact CB-CE1 3.68Å; C578-F638 HydrophobicContact CB-CE2 3.97Å; C578-F638 HydrophobicContact CB-CZ 3.54Å; C578-F638 WeakPolarHBondContact O-CZ 3.42Å; C578-F638 WeakPolarHBondContact SG-CE1 3.5Å
579	T	90.1	Very high	87.8	Confident	26 Å²	26	26.1 Å²	26.1	16%	0.16	13%	0.128	C	C	.	.	H	α-helix	trans	-71.4	-39	173	-64.9	0	0	0	0	110.1	L574 S576 T582 N583	L574-T579 PolarHBondContact O-N 2.64Å; L574-T579 PolarHBondContact O-OG1 2.87Å; S576-T579 CarbonylContact O-C 3.53Å; S576-T579 WeakPolarHBondContact O-CA 3.1Å; S576-T579 WeakPolarHBondContact O-CB 3.27Å; S576-T579 PolarHBondContact O-N 3.34Å; T579-T582 PolarHBondContact O-N 3.32Å; T579-N583 WeakPolarHBondContact O-CB 3.31Å; T579-N583 VanDerWaalsContact O-CG 3.31Å; T579-N583 PolarHBondContact O-N 2.92Å; T579-N583 PolarHBondContact O-OD1 3.24Å
580	D	88.2	Confident	87.2	Confident	73 Å²	73	26 Å²	26	39%	0.39	13%	0.128	S	C	.	.	H	α-helix	trans	-62.9	-49.7	178.2	-59.5	-25.9	0	0	0	111.9	S576 V577 T582 N583 L584	S576-D580 PolarHBondContact O-N 3.3Å; V577-D580 PolarHBondContact O-N 3.03Å; D580-T582 VanDerWaalsContact C-N 3.27Å; D580-T582 PolarHBondContact O-N 3.1Å; D580-N583 PolarHBondContact O-N 2.78Å; D580-L584 VanDerWaalsContact O-CB 3.31Å; D580-L584 WeakPolarHBondContact O-CB 3.33Å; D580-L584 PolarHBondContact O-N 3.44Å
581	I	89.8	Confident	86.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-36.1	175.9	-169.6	165.4	0	0	0	111.8	V544 L547 I551 V577 C578 I585 F638 L642	V544-I581 HydrophobicContact CG1-CD1 4.04Å; V544-I581 HydrophobicContact CG1-CG1 4.31Å; L547-I581 HydrophobicContact CB-CB 4.15Å; L547-I581 HydrophobicContact CB-CD1 3.87Å; L547-I581 HydrophobicContact CB-CG1 4.26Å; L547-I581 HydrophobicContact CD1-CB 3.99Å; L547-I581 HydrophobicContact CD1-CG1 4.46Å; I551-I581 HydrophobicContact CD1-CD1 4.32Å; I551-I581 HydrophobicContact CD1-CG2 3.83Å; V577-I581 WeakPolarHBondContact O-CG2 3.42Å; V577-I581 PolarHBondContact O-N 2.95Å; C578-I581 WeakPolarHBondContact O-CG2 3.27Å; I581-I585 WeakPolarHBondContact O-CG1 3.27Å; I581-I585 PolarHBondContact O-N 3.09Å; I581-F638 HydrophobicContact CG2-CE1 4.36Å; I581-F638 HydrophobicContact CG2-CZ 3.98Å; I581-L642 HydrophobicContact CD1-CD1 4.43Å; I581-L642 HydrophobicContact CD1-CD2 3.71Å; I581-L642 HydrophobicContact CG1-CD1 4.38Å; I581-L642 HydrophobicContact CG1-CD2 4.41Å; I581-L642 HydrophobicContact CG2-CD2 4.39Å
582	T	89.2	Confident	85.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-48.8	175.9	-58.5	0	0	0	0	110.1	C578 T579 D580 L584 I585 F586 L626 L630	C578-T582 WeakPolarHBondContact O-CB 3.39Å; C578-T582 PolarHBondContact O-N 2.87Å; C578-T582 PolarHBondContact O-OG1 3.43Å; T579-T582 PolarHBondContact O-N 3.32Å; D580-T582 VanDerWaalsContact C-N 3.27Å; D580-T582 PolarHBondContact O-N 3.1Å; T582-L584 VanDerWaalsContact C-N 3.26Å; T582-L584 PolarHBondContact O-N 3.44Å; T582-I585 PolarHBondContact O-N 3.32Å; T582-F586 HydrophobicContact CG2-CD2 3.67Å; T582-F586 HydrophobicContact CG2-CE2 3.69Å; T582-F586 VanDerWaalsContact O-CD2 3.22Å; T582-F586 WeakPolarHBondContact O-CD2 3.49Å; T582-F586 PolarHBondContact O-N 2.85Å; T582-L626 HydrophobicContact CG2-CD2 4.03Å; T582-L626 HydrophobicContact CG2-CG 4.06Å; T582-L630 HydrophobicContact CG2-CD1 4.2Å
583	N	89.9	Confident	84.4	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-37.2	179.1	-79	2.2	0	0	0	112	T579 D580 F586 N587 P600 I603 R608	T579-N583 WeakPolarHBondContact O-CB 3.31Å; T579-N583 VanDerWaalsContact O-CG 3.31Å; T579-N583 PolarHBondContact O-N 2.92Å; T579-N583 PolarHBondContact O-OD1 3.24Å; D580-N583 PolarHBondContact O-N 2.78Å; N583-F586 CarbonylContact O-C 3.56Å; N583-F586 PolarHBondContact O-N 2.84Å; N583-N587 WeakPolarHBondContact O-CB 3.31Å; N583-N587 PolarHBondContact O-N 3.06Å; N583-P600 VanDerWaalsContact CB-O 3.29Å; N583-P600 WeakPolarHBondContact CB-O 3.2Å; N583-P600 PolarHBondContact ND2-O 3.33Å; N583-P600 VanDerWaalsContact ND2-O 3.12Å; N583-I603 HydrophobicContact CB-CB 4.21Å; N583-I603 PolarHBondContact ND2-O 2.89Å; N583-I603 PolarHBondContact OD1-O 2.96Å; N583-R608 VanDerWaalsContact OD1-CD 3.24Å; N583-R608 WeakPolarHBondContact OD1-CD 3.28Å; N583-R608 PolarHBondContact OD1-NE 2.95Å
584	L	87.1	Confident	83.4	Confident	17 Å²	17	36.8 Å²	36.8	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-43.4	177.4	-175.2	150.2	0	0	0	112.3	L540 E543 V544 L547 D580 T582 N587 F588	L540-L584 HydrophobicContact CD1-CD2 3.3Å; L540-L584 HydrophobicContact CD1-CG 3.95Å; L540-L584 HydrophobicContact CG-CD2 3.87Å; E543-L584 HydrophobicContact CB-CD1 4.16Å; E543-L584 WeakPolarHBondContact OE2-CD1 3.21Å; V544-L584 HydrophobicContact CG2-CD2 3.28Å; L547-L584 HydrophobicContact CD1-CD1 4.4Å; D580-L584 VanDerWaalsContact O-CB 3.31Å; D580-L584 WeakPolarHBondContact O-CB 3.33Å; D580-L584 PolarHBondContact O-N 3.44Å; T582-L584 VanDerWaalsContact C-N 3.26Å; T582-L584 PolarHBondContact O-N 3.44Å; L584-N587 PolarHBondContact O-N 2.84Å; L584-F588 PolarHBondContact O-N 3.09Å
585	I	85.4	Confident	82.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-42.8	172.7	-65.6	170.3	0	0	0	110.6	V544 I581 T582 N587 F588 L589 L623 L626 L642 I651	V544-I585 HydrophobicContact CG2-CG1 4.32Å; I581-I585 WeakPolarHBondContact O-CG1 3.27Å; I581-I585 PolarHBondContact O-N 3.09Å; T582-I585 PolarHBondContact O-N 3.32Å; I585-N587 PolarHBondContact O-N 3.34Å; I585-F588 PolarHBondContact O-N 2.82Å; I585-L589 HydrophobicContact CG2-CD1 4.33Å; I585-L589 WeakPolarHBondContact O-CG 3.5Å; I585-L589 PolarHBondContact O-N 3.3Å; I585-L589 VanDerWaalsContact O-N 3.14Å; I585-L623 HydrophobicContact CG2-CD2 3.95Å; I585-L626 HydrophobicContact CD1-CD2 4.5Å; I585-L642 HydrophobicContact CD1-CD1 3.47Å; I585-L642 VanDerWaalsContact CD1-CD1 3.47Å; I585-I651 HydrophobicContact CG1-CD1 3.99Å; I585-I651 HydrophobicContact CG2-CD1 4.11Å
586	F	84.8	Confident	81.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-37.7	177.4	-91.5	-96.9	0	0	0	112.8	T582 N583 L589 A590 R608 I611 L612 L623	T582-F586 HydrophobicContact CG2-CD2 3.67Å; T582-F586 HydrophobicContact CG2-CE2 3.69Å; T582-F586 VanDerWaalsContact O-CD2 3.22Å; T582-F586 WeakPolarHBondContact O-CD2 3.49Å; T582-F586 PolarHBondContact O-N 2.85Å; N583-F586 CarbonylContact O-C 3.56Å; N583-F586 PolarHBondContact O-N 2.84Å; F586-L589 PolarHBondContact O-N 3.23Å; F586-A590 VanDerWaalsContact O-CB 3.3Å; F586-A590 WeakPolarHBondContact O-CB 3.41Å; F586-A590 PolarHBondContact O-N 2.9Å; F586-R608 HydrophobicContact CB-CG 4.38Å; F586-R608 HydrophobicContact CD1-CB 3.9Å; F586-R608 HydrophobicContact CD1-CG 3.82Å; F586-R608 HydrophobicContact CD2-CG 4.44Å; F586-R608 HydrophobicContact CE1-CB 3.78Å; F586-R608 HydrophobicContact CE1-CG 4.16Å; F586-R608 WeakPolarHBondContact CE1-O 3.38Å; F586-R608 HydrophobicContact CG-CB 4.47Å; F586-R608 HydrophobicContact CG-CG 3.96Å; F586-R608 HydrophobicContact CZ-CB 4.25Å; F586-I611 HydrophobicContact CD1-CB 4.12Å; F586-I611 HydrophobicContact CD1-CD1 4.29Å; F586-I611 HydrophobicContact CD1-CG2 4.03Å; F586-L612 HydrophobicContact CE1-CD1 4.5Å; F586-L612 HydrophobicContact CE1-CD2 3.91Å; F586-L612 HydrophobicContact CE1-CG 3.78Å; F586-L612 HydrophobicContact CZ-CD1 4.38Å; F586-L612 HydrophobicContact CZ-CD2 3.83Å; F586-L612 HydrophobicContact CZ-CG 4Å; F586-L623 HydrophobicContact CD2-CD2 4.23Å; F586-L623 HydrophobicContact CE2-CB 4.3Å; F586-L623 HydrophobicContact CE2-CD2 3.8Å; F586-L623 HydrophobicContact CZ-CB 3.98Å; F586-L623 HydrophobicContact CZ-CD2 4.24Å
587	N	83.6	Confident	80.4	Confident	24 Å²	24	37.8 Å²	37.8	13%	0.128	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-39.5	177.8	-158.6	33.7	0	0	0	111.3	N583 L584 I585 L589 A590 S591 A596 V597 P600 I603	N583-N587 WeakPolarHBondContact O-CB 3.31Å; N583-N587 PolarHBondContact O-N 3.06Å; L584-N587 PolarHBondContact O-N 2.84Å; I585-N587 PolarHBondContact O-N 3.34Å; N587-L589 VanDerWaalsContact C-N 3.35Å; N587-L589 PolarHBondContact O-N 2.92Å; N587-A590 WeakPolarHBondContact O-CB 3.25Å; N587-A590 PolarHBondContact O-N 2.86Å; N587-S591 PolarHBondContact O-N 3.4Å; N587-A596 WeakPolarHBondContact OD1-CA 3.16Å; N587-V597 PolarHBondContact ND2-O 2.87Å; N587-V597 PolarHBondContact OD1-N 3.29Å; N587-V597 PolarHBondContact OD1-O 2.93Å; N587-P600 HydrophobicContact CB-CB 4.47Å; N587-I603 HydrophobicContact CB-CD1 3.56Å
588	F	82.8	Confident	79.3	Confident	32 Å²	32	45.4 Å²	45.4	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-46.6	173.7	175	-107.9	0	0	0	111.7	I537 L540 L584 I585 A590 S591 I651	I537-F588 HydrophobicContact CD1-CZ 4.11Å; I537-F588 HydrophobicContact CG1-CE2 3.76Å; I537-F588 HydrophobicContact CG1-CZ 3.62Å; L540-F588 HydrophobicContact CD1-CB 3.92Å; L540-F588 HydrophobicContact CD1-CD2 4.34Å; L540-F588 HydrophobicContact CD1-CG 4.32Å; L540-F588 HydrophobicContact CD2-CB 3.74Å; L540-F588 HydrophobicContact CD2-CD1 3.78Å; L540-F588 HydrophobicContact CD2-CD2 3.51Å; L540-F588 HydrophobicContact CD2-CE1 4.25Å; L540-F588 HydrophobicContact CD2-CE2 4.01Å; L540-F588 HydrophobicContact CD2-CG 3.37Å; L540-F588 HydrophobicContact CD2-CZ 4.35Å; L540-F588 HydrophobicContact CG-CD2 4.46Å; L540-F588 HydrophobicContact CG-CG 4.48Å; L584-F588 PolarHBondContact O-N 3.09Å; I585-F588 PolarHBondContact O-N 2.82Å; F588-A590 VanDerWaalsContact C-N 3.33Å; F588-A590 PolarHBondContact O-N 3.28Å; F588-S591 WeakPolarHBondContact O-CB 3.2Å; F588-S591 PolarHBondContact O-N 3.45Å; F588-I651 HydrophobicContact CD1-CD1 4.39Å
589	L	78	Confident	78.5	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.084	27%	0.274	C	S	.	.	H	α-helix	trans	-69.7	-32.1	176.5	-64.2	170.6	0	0	0	112.7	I585 F586 N587 S591 D592 L615 L623 C649	I585-L589 HydrophobicContact CG2-CD1 4.33Å; I585-L589 WeakPolarHBondContact O-CG 3.5Å; I585-L589 PolarHBondContact O-N 3.3Å; I585-L589 VanDerWaalsContact O-N 3.14Å; F586-L589 PolarHBondContact O-N 3.23Å; N587-L589 VanDerWaalsContact C-N 3.35Å; N587-L589 PolarHBondContact O-N 2.92Å; L589-S591 PolarHBondContact O-N 3.45Å; L589-D592 PolarHBondContact O-N 2.88Å; L589-L615 HydrophobicContact CB-CD2 4.19Å; L589-L615 HydrophobicContact CD1-CD1 4.13Å; L589-L623 HydrophobicContact CD1-CD1 3.23Å; L589-L623 HydrophobicContact CD1-CD2 4.1Å; L589-L623 HydrophobicContact CD1-CG 4.29Å; L589-C649 HydrophobicContact CD2-CB 4.44Å
590	A	76.4	Confident	77.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-28.2	173.4	0	0	0	0	0	111.8	F586 N587 F588 D592 L593 M594 M595 A596 I611	F586-A590 VanDerWaalsContact O-CB 3.3Å; F586-A590 WeakPolarHBondContact O-CB 3.41Å; F586-A590 PolarHBondContact O-N 2.9Å; N587-A590 WeakPolarHBondContact O-CB 3.25Å; N587-A590 PolarHBondContact O-N 2.86Å; F588-A590 VanDerWaalsContact C-N 3.33Å; F588-A590 PolarHBondContact O-N 3.28Å; A590-D592 VanDerWaalsContact C-N 3.33Å; A590-D592 PolarHBondContact O-N 3.46Å; A590-L593 CarbonylContact O-C 3.53Å; A590-L593 WeakPolarHBondContact O-CA 3.46Å; A590-L593 PolarHBondContact O-N 3.44Å; A590-M594 PolarHBondContact O-N 2.91Å; A590-M594 VanDerWaalsContact O-N 3.17Å; A590-M595 HydrophobicContact CB-CB 4.17Å; A590-M595 CarbonylContact O-C 3.49Å; A590-M595 PolarHBondContact O-N 2.81Å; A590-A596 PolarHBondContact O-N 3.12Å; A590-I611 HydrophobicContact CB-CD1 3.92Å; A590-I611 HydrophobicContact CB-CG1 4.29Å
591	S	72.4	Confident	77	Confident	68 Å²	68	50 Å²	50	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-42.7	173.9	-171.1	0	0	0	0	111.9	N587 F588 L589 L593 M594	N587-S591 PolarHBondContact O-N 3.4Å; F588-S591 WeakPolarHBondContact O-CB 3.2Å; F588-S591 PolarHBondContact O-N 3.45Å; L589-S591 PolarHBondContact O-N 3.45Å; S591-L593 PolarHBondContact O-N 3.2Å; S591-M594 PolarHBondContact O-N 2.87Å; S591-M594 VanDerWaalsContact O-N 3.13Å
592	D	68.6	Low	76.3	Confident	92 Å²	92	52.3 Å²	52.3	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-66.1	-19.3	177	-77.2	-8.7	0	0	0	112.1	R533 L589 A590	R533-D592 IonicContact NH2-OD1 2.84Å; R533-D592 IonicContact NH2-OD2 3.75Å; R533-D592 PolarHBondContact NH2-OD2 3.34Å; L589-D592 PolarHBondContact O-N 2.88Å; A590-D592 VanDerWaalsContact C-N 3.33Å; A590-D592 PolarHBondContact O-N 3.46Å
593	L	68.3	Low	75.8	Confident	62 Å²	62	52.6 Å²	52.6	33%	0.325	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.9	177.4	-61.9	174.4	0	0	0	113.7	A590 S591 M595 K614 L615	A590-L593 CarbonylContact O-C 3.53Å; A590-L593 WeakPolarHBondContact O-CA 3.46Å; A590-L593 PolarHBondContact O-N 3.44Å; S591-L593 PolarHBondContact O-N 3.2Å; L593-M595 HydrophobicContact CB-CG 4.41Å; L593-M595 PolarHBondContact O-N 3.36Å; L593-K614 HydrophobicContact CD1-CB 3.87Å; L593-L615 HydrophobicContact CD1-CD2 4.01Å
594	M	68.8	Low	75.5	Confident	187 Å²	187	55.8 Å²	55.8	92%	0.921	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	32.9	-171.7	-57.9	-174.4	179	0	0	113.8	A590 S591	A590-M594 PolarHBondContact O-N 2.91Å; A590-M594 VanDerWaalsContact O-N 3.17Å; S591-M594 PolarHBondContact O-N 2.87Å; S591-M594 VanDerWaalsContact O-N 3.13Å
595	M	68.3	Low	75.3	Confident	68 Å²	68	57.4 Å²	57.4	34%	0.335	34%	0.339	S	S	.	.			trans	-121.7	11.8	-179.6	-67.1	-174.6	64.2	0	0	112.8	A590 L593 K614	A590-M595 HydrophobicContact CB-CB 4.17Å; A590-M595 CarbonylContact O-C 3.49Å; A590-M595 PolarHBondContact O-N 2.81Å; L593-M595 HydrophobicContact CB-CG 4.41Å; L593-M595 PolarHBondContact O-N 3.36Å; M595-K614 HydrophobicContact SD-CD 3.86Å; M595-K614 PolarHBondContact SD-NZ 3.42Å
596	A	68.7	Low	75	Confident	51 Å²	51	64 Å²	64	42%	0.421	37%	0.37	S	S	.	.			trans	-62.3	146	176.3	0	0	0	0	0	111.1	N587 A590	N587-A596 WeakPolarHBondContact OD1-CA 3.16Å; A590-A596 PolarHBondContact O-N 3.12Å
597	V	69.6	Low	74.8	Confident	58 Å²	58	66.7 Å²	66.7	35%	0.352	38%	0.383	S	S	.	.			trans	-112.1	141.2	176.5	-172.1	0	0	0	0	107.9	N587 D599 A602	N587-V597 PolarHBondContact ND2-O 2.87Å; N587-V597 PolarHBondContact OD1-N 3.29Å; N587-V597 PolarHBondContact OD1-O 2.93Å; V597-D599 PolarHBondContact O-N 2.9Å; V597-A602 HydrophobicContact CG1-CB 4.37Å
598	D	66.3	Low	74.7	Confident	176 Å²	176	66.3 Å²	66.3	94%	0.941	38%	0.38	S	S	*	.	S	Bend	trans	-61.5	-30.6	-178.9	-63.5	-39.3	0	0	0	112.5
599	D	72.1	Confident	74.7	Confident	90 Å²	90	70.7 Å²	70.7	48%	0.481	40%	0.399	S	S	.	.			trans	-111.2	108.7	173.5	-178.2	10.2	0	0	0	111.4	V597 A601 A602	V597-D599 PolarHBondContact O-N 2.9Å; D599-A601 PolarHBondContact O-N 3.28Å; D599-A601 VanDerWaalsContact OD1-CB 3.29Å; D599-A601 WeakPolarHBondContact OD1-CB 3.4Å; D599-A601 PolarHBondContact OD1-N 3.44Å; D599-A602 HydrophobicContact CB-CB 4.45Å; D599-A602 WeakPolarHBondContact O-CB 3.44Å; D599-A602 PolarHBondContact O-N 3.29Å
600	P	73.1	Confident	74.8	Confident	40 Å²	40	76 Å²	76	26%	0.26	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25.6	174.3	-21.8	31.5	0	0	0	113.8	N583 N587 A602 I603	N583-P600 VanDerWaalsContact CB-O 3.29Å; N583-P600 WeakPolarHBondContact CB-O 3.2Å; N583-P600 PolarHBondContact ND2-O 3.33Å; N583-P600 VanDerWaalsContact ND2-O 3.12Å; N587-P600 HydrophobicContact CB-CB 4.47Å; P600-A602 PolarHBondContact O-N 3.38Å; P600-I603 WeakPolarHBondContact O-CB 3.18Å; P600-I603 PolarHBondContact O-N 3.36Å
601	A	72.8	Confident	75	Confident	66 Å²	66	76.1 Å²	76.1	55%	0.545	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-69.7	-22.8	179.4	0	0	0	0	0	112.7	D599 I603	D599-A601 PolarHBondContact O-N 3.28Å; D599-A601 VanDerWaalsContact OD1-CB 3.29Å; D599-A601 WeakPolarHBondContact OD1-CB 3.4Å; D599-A601 PolarHBondContact OD1-N 3.44Å; A601-I603 PolarHBondContact O-N 3.49Å
602	A	75.2	Confident	75.5	Confident	48 Å²	48	73.6 Å²	73.6	40%	0.397	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-72.2	-10.3	176.2	0	0	0	0	0	113.5	V597 D599 P600 T604	V597-A602 HydrophobicContact CG1-CB 4.37Å; D599-A602 HydrophobicContact CB-CB 4.45Å; D599-A602 WeakPolarHBondContact O-CB 3.44Å; D599-A602 PolarHBondContact O-N 3.29Å; P600-A602 PolarHBondContact O-N 3.38Å; A602-T604 PolarHBondContact O-N 3.07Å; A602-T604 VanDerWaalsContact O-N 3.1Å
603	I	80.4	Confident	76	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.026	41%	0.407	C	S	.	.			trans	-74.7	102.7	-178.7	-61.5	176.4	0	0	0	110.1	N583 N587 P600 A601 I607 R608	N583-I603 HydrophobicContact CB-CB 4.21Å; N583-I603 PolarHBondContact ND2-O 2.89Å; N583-I603 PolarHBondContact OD1-O 2.96Å; N587-I603 HydrophobicContact CB-CD1 3.56Å; P600-I603 WeakPolarHBondContact O-CB 3.18Å; P600-I603 PolarHBondContact O-N 3.36Å; A601-I603 PolarHBondContact O-N 3.49Å; I603-I607 HydrophobicContact CG2-CB 4.26Å; I603-I607 HydrophobicContact CG2-CG2 4.07Å; I603-R608 HydrophobicContact CG2-CG 3.44Å; I603-R608 VanDerWaalsContact CG2-CG 3.44Å
604	T	83.1	Confident	76.5	Confident	72 Å²	72	76 Å²	76	44%	0.442	42%	0.417	S	S	.	.			trans	-80.7	166.9	176.8	68.6	0	0	0	0	112.4	A602 E606 I607 R608	A602-T604 PolarHBondContact O-N 3.07Å; A602-T604 VanDerWaalsContact O-N 3.1Å; T604-E606 PolarHBondContact O-N 3.47Å; T604-I607 PolarHBondContact O-N 3.41Å; T604-I607 VanDerWaalsContact O-N 3.09Å; T604-I607 WeakPolarHBondContact OG1-CG1 3.46Å; T604-I607 PolarHBondContact OG1-N 2.94Å; T604-R608 PolarHBondContact O-N 3.48Å
605	S	81.9	Confident	77	Confident	50 Å²	50	68.2 Å²	68.2	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-51.8	-37.1	173.2	179.5	0	0	0	0	112.8	K609 H627	S605-K609 WeakPolarHBondContact O-CG 3.32Å; S605-K609 PolarHBondContact O-N 3.35Å; S605-K609 VanDerWaalsContact O-N 3.15Å; S605-H627 PolarHBondContact OG-CE1 3.14Å; S605-H627 VanDerWaalsContact OG-CE1 3.25Å
606	E	79.5	Confident	77.4	Confident	139 Å²	139	68.3 Å²	68.3	65%	0.65	39%	0.386	S	S	*	.	H	α-helix	trans	-70.2	-40.1	178.6	-62.5	179.4	-175.5	0	0	112.5	T604 R608 K609 K610	T604-E606 PolarHBondContact O-N 3.47Å; E606-R608 VanDerWaalsContact C-N 3.35Å; E606-K609 PolarHBondContact O-N 2.91Å; E606-K610 WeakPolarHBondContact O-CG 3.19Å; E606-K610 PolarHBondContact O-N 3.14Å; E606-K610 VanDerWaalsContact O-N 3.08Å
607	I	80.4	Confident	77.6	Confident	56 Å²	56	71.9 Å²	71.9	29%	0.287	39%	0.394	S	S	.	.	H	α-helix	trans	-65.9	-40.8	176.7	-63.3	171	0	0	0	109.9	I603 T604 K609 K610 I611	I603-I607 HydrophobicContact CG2-CB 4.26Å; I603-I607 HydrophobicContact CG2-CG2 4.07Å; T604-I607 PolarHBondContact O-N 3.41Å; T604-I607 VanDerWaalsContact O-N 3.09Å; T604-I607 WeakPolarHBondContact OG1-CG1 3.46Å; T604-I607 PolarHBondContact OG1-N 2.94Å; I607-K609 VanDerWaalsContact C-N 3.34Å; I607-K609 PolarHBondContact O-N 3.07Å; I607-K610 WeakPolarHBondContact O-CB 3.2Å; I607-K610 PolarHBondContact O-N 3.16Å; I607-K610 VanDerWaalsContact O-N 3.13Å; I607-I611 HydrophobicContact CG2-CD1 3.97Å; I607-I611 WeakPolarHBondContact O-CG1 3.45Å; I607-I611 PolarHBondContact O-N 3.27Å
608	R	82.8	Confident	77.8	Confident	16 Å²	16	77.2 Å²	77.2	6%	0.06	42%	0.416	C	S	.	.	H	α-helix	trans	-60.2	-41.9	174.7	-68.2	-167.5	-86.1	141	-6.3	112.5	N583 F586 I603 T604 E606 K610 I611 L612 H627 L630	N583-R608 VanDerWaalsContact OD1-CD 3.24Å; N583-R608 WeakPolarHBondContact OD1-CD 3.28Å; N583-R608 PolarHBondContact OD1-NE 2.95Å; F586-R608 HydrophobicContact CB-CG 4.38Å; F586-R608 HydrophobicContact CD1-CB 3.9Å; F586-R608 HydrophobicContact CD1-CG 3.82Å; F586-R608 HydrophobicContact CD2-CG 4.44Å; F586-R608 HydrophobicContact CE1-CB 3.78Å; F586-R608 HydrophobicContact CE1-CG 4.16Å; F586-R608 WeakPolarHBondContact CE1-O 3.38Å; F586-R608 HydrophobicContact CG-CB 4.47Å; F586-R608 HydrophobicContact CG-CG 3.96Å; F586-R608 HydrophobicContact CZ-CB 4.25Å; I603-R608 HydrophobicContact CG2-CG 3.44Å; I603-R608 VanDerWaalsContact CG2-CG 3.44Å; T604-R608 PolarHBondContact O-N 3.48Å; E606-R608 VanDerWaalsContact C-N 3.35Å; R608-K610 VanDerWaalsContact C-N 3.33Å; R608-K610 PolarHBondContact O-N 2.95Å; R608-I611 PolarHBondContact O-N 3.27Å; R608-L612 WeakPolarHBondContact O-CG 3.15Å; R608-L612 PolarHBondContact O-N 3.48Å; R608-H627 PolarHBondContact NH1-ND1 3Å; R608-L630 VanDerWaalsContact NH2-CD1 3.3Å
609	K	82.8	Confident	78.4	Confident	124 Å²	124	69.8 Å²	69.8	54%	0.539	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-37.1	174.5	-71.6	178	-176.2	-178.7	0	112.8	S605 E606 I607 L612 S613 H627	S605-K609 WeakPolarHBondContact O-CG 3.32Å; S605-K609 PolarHBondContact O-N 3.35Å; S605-K609 VanDerWaalsContact O-N 3.15Å; E606-K609 PolarHBondContact O-N 2.91Å; I607-K609 VanDerWaalsContact C-N 3.34Å; I607-K609 PolarHBondContact O-N 3.07Å; K609-L612 PolarHBondContact O-N 3.41Å; K609-S613 PolarHBondContact O-N 3.07Å; K609-H627 WeakPolarHBondContact CE-NE2 3.44Å
610	K	79.3	Confident	79	Confident	128 Å²	128	68.3 Å²	68.3	56%	0.557	37%	0.366	S	S	*	.	H	α-helix	trans	-64.3	-44.1	174.2	-71	175.7	-177.5	175.9	0	111.6	E606 I607 R608 S613	E606-K610 WeakPolarHBondContact O-CG 3.19Å; E606-K610 PolarHBondContact O-N 3.14Å; E606-K610 VanDerWaalsContact O-N 3.08Å; I607-K610 WeakPolarHBondContact O-CB 3.2Å; I607-K610 PolarHBondContact O-N 3.16Å; I607-K610 VanDerWaalsContact O-N 3.13Å; R608-K610 VanDerWaalsContact C-N 3.33Å; R608-K610 PolarHBondContact O-N 2.95Å; K610-S613 PolarHBondContact O-N 3.45Å; K610-S613 PolarHBondContact O-OG 3.23Å
611	I	80.4	Confident	79.5	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.015	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-46.1	176.1	-63.3	161.8	0	0	0	110.4	F586 A590 I607 R608 S613 K614 L615	F586-I611 HydrophobicContact CD1-CB 4.12Å; F586-I611 HydrophobicContact CD1-CD1 4.29Å; F586-I611 HydrophobicContact CD1-CG2 4.03Å; A590-I611 HydrophobicContact CB-CD1 3.92Å; A590-I611 HydrophobicContact CB-CG1 4.29Å; I607-I611 HydrophobicContact CG2-CD1 3.97Å; I607-I611 WeakPolarHBondContact O-CG1 3.45Å; I607-I611 PolarHBondContact O-N 3.27Å; R608-I611 PolarHBondContact O-N 3.27Å; I611-S613 PolarHBondContact O-N 3Å; I611-S613 VanDerWaalsContact O-N 3.13Å; I611-K614 PolarHBondContact O-N 3.22Å; I611-L615 HydrophobicContact CG2-CD1 4.19Å; I611-L615 HydrophobicContact CG2-CG 4.43Å; I611-L615 WeakPolarHBondContact O-CG 3.25Å
612	L	83.2	Confident	80.1	Confident	14 Å²	14	67.6 Å²	67.6	7%	0.073	36%	0.355	C	S	.	.	H	α-helix	trans	-53.6	-35.6	177.2	-76.4	173.4	0	0	0	113.4	F586 R608 K609 K614 L615 L623 H627	F586-L612 HydrophobicContact CE1-CD1 4.5Å; F586-L612 HydrophobicContact CE1-CD2 3.91Å; F586-L612 HydrophobicContact CE1-CG 3.78Å; F586-L612 HydrophobicContact CZ-CD1 4.38Å; F586-L612 HydrophobicContact CZ-CD2 3.83Å; F586-L612 HydrophobicContact CZ-CG 4Å; R608-L612 WeakPolarHBondContact O-CG 3.15Å; R608-L612 PolarHBondContact O-N 3.48Å; K609-L612 PolarHBondContact O-N 3.41Å; L612-K614 PolarHBondContact O-N 3.18Å; L612-L615 HydrophobicContact CD2-CD1 4.45Å; L612-L615 PolarHBondContact O-N 3.34Å; L612-L623 HydrophobicContact CD2-CB 3.51Å; L612-H627 HydrophobicContact CD1-CB 4.36Å
613	S	79.6	Confident	80.7	Confident	82 Å²	82	65.3 Å²	65.3	57%	0.573	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.5	-178	73.3	0	0	0	0	114	K609 K610 I611	K609-S613 PolarHBondContact O-N 3.07Å; K610-S613 PolarHBondContact O-N 3.45Å; K610-S613 PolarHBondContact O-OG 3.23Å; I611-S613 PolarHBondContact O-N 3Å; I611-S613 VanDerWaalsContact O-N 3.13Å
614	K	77.7	Confident	81	Confident	123 Å²	123	67.5 Å²	67.5	54%	0.535	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-0.3	-174.7	-64.1	-173.2	177.4	-174.7	0	114.3	L593 M595 I611 L612	L593-K614 HydrophobicContact CD1-CB 3.87Å; M595-K614 HydrophobicContact SD-CD 3.86Å; M595-K614 PolarHBondContact SD-NZ 3.42Å; I611-K614 PolarHBondContact O-N 3.22Å; L612-K614 PolarHBondContact O-N 3.18Å
615	L	79.6	Confident	81.2	Confident	24 Å²	24	70.2 Å²	70.2	13%	0.126	36%	0.355	C	S	.	.	S	Bend	trans	-89.8	161.6	-177	-67.8	174.6	0	0	0	112.6	L589 L593 I611 L612 K620 L623	L589-L615 HydrophobicContact CB-CD2 4.19Å; L589-L615 HydrophobicContact CD1-CD1 4.13Å; L593-L615 HydrophobicContact CD1-CD2 4.01Å; I611-L615 HydrophobicContact CG2-CD1 4.19Å; I611-L615 HydrophobicContact CG2-CG 4.43Å; I611-L615 WeakPolarHBondContact O-CG 3.25Å; L612-L615 HydrophobicContact CD2-CD1 4.45Å; L612-L615 PolarHBondContact O-N 3.34Å; L615-K620 HydrophobicContact CB-CB 4.38Å; L615-L623 HydrophobicContact CD1-CD1 3.51Å
616	S	77.2	Confident	81.5	Confident	69 Å²	69	67.8 Å²	67.8	48%	0.483	34%	0.339	S	S	.	.			trans	-63.8	150.8	174.9	61.9	0	0	0	0	111.6	E618 T619 K620	S616-E618 VanDerWaalsContact C-N 3.29Å; S616-E618 PolarHBondContact O-N 3.17Å; S616-T619 PolarHBondContact O-N 2.87Å; S616-T619 PolarHBondContact O-OG1 2.83Å; S616-T619 VanDerWaalsContact O-OG1 3.05Å; S616-T619 PolarHBondContact OG-OG1 3.46Å; S616-K620 WeakPolarHBondContact O-CB 3.48Å; S616-K620 PolarHBondContact O-N 3.42Å
617	E	73.3	Confident	81.9	Confident	126 Å²	126	61.5 Å²	61.5	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-59.9	-34.3	-173.5	-73.6	-61.4	135.4	0	0	113.7	K620 V621	E617-K620 IonicContact OE1-NZ 3.73Å; E617-K620 PolarHBondContact OE1-NZ 2.93Å; E617-V621 WeakPolarHBondContact O-CG2 3.46Å; E617-V621 PolarHBondContact O-N 2.97Å
618	E	72.8	Confident	82.2	Confident	171 Å²	171	62.8 Å²	62.8	80%	0.799	32%	0.317	S	S	*	.	H	α-helix	trans	-67.6	-46.6	177.4	-67.4	178.3	174.1	0	0	112.8	S616	S616-E618 VanDerWaalsContact C-N 3.29Å; S616-E618 PolarHBondContact O-N 3.17Å
619	T	79.6	Confident	82.5	Confident	19 Å²	19	62 Å²	62	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-72.2	-36.9	179	57.5	0	0	0	0	112	S616 V621 A622 L623 A648	S616-T619 PolarHBondContact O-N 2.87Å; S616-T619 PolarHBondContact O-OG1 2.83Å; S616-T619 VanDerWaalsContact O-OG1 3.05Å; S616-T619 PolarHBondContact OG-OG1 3.46Å; T619-V621 PolarHBondContact O-N 3.47Å; T619-A622 PolarHBondContact O-N 3.38Å; T619-L623 WeakPolarHBondContact O-CB 3.43Å; T619-L623 WeakPolarHBondContact O-CD1 3.34Å; T619-L623 WeakPolarHBondContact O-CG 3.44Å; T619-L623 PolarHBondContact O-N 2.59Å; T619-A648 HydrophobicContact CG2-CB 4.5Å; T619-A648 WeakPolarHBondContact CG2-O 3.43Å
620	K	83.6	Confident	82.7	Confident	60 Å²	60	56.5 Å²	56.5	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-40.3	179.9	-179.4	177.4	170.8	-168.8	0	112.5	L615 S616 E617 T624	L615-K620 HydrophobicContact CB-CB 4.38Å; S616-K620 WeakPolarHBondContact O-CB 3.48Å; S616-K620 PolarHBondContact O-N 3.42Å; E617-K620 IonicContact OE1-NZ 3.73Å; E617-K620 PolarHBondContact OE1-NZ 2.93Å; K620-T624 VanDerWaalsContact O-CB 3.23Å; K620-T624 WeakPolarHBondContact O-CB 3.2Å; K620-T624 PolarHBondContact O-N 3.14Å; K620-T624 PolarHBondContact O-OG1 2.61Å
621	V	85	Confident	82.9	Confident	78 Å²	78	56.3 Å²	56.3	47%	0.473	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-47.2	177.6	172.3	0	0	0	0	111.2	E617 T619 K625	E617-V621 WeakPolarHBondContact O-CG2 3.46Å; E617-V621 PolarHBondContact O-N 2.97Å; T619-V621 PolarHBondContact O-N 3.47Å; V621-K625 PolarHBondContact O-N 2.87Å
622	A	85.4	Confident	82.7	Confident	13 Å²	13	60.3 Å²	60.3	11%	0.107	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-43.9	-179.6	0	0	0	0	0	112.2	T619 K625 L626 A645 A648	T619-A622 PolarHBondContact O-N 3.38Å; A622-K625 PolarHBondContact O-N 3.19Å; A622-L626 PolarHBondContact O-N 3.05Å; A622-A645 HydrophobicContact CB-CB 4.47Å; A622-A648 HydrophobicContact CB-CB 3.88Å
623	L	86.3	Confident	82.4	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-72.4	-28.4	179.8	-70.3	159.8	0	0	0	113.3	I585 F586 L589 L612 L615 T619 L626 H627 A645	I585-L623 HydrophobicContact CG2-CD2 3.95Å; F586-L623 HydrophobicContact CD2-CD2 4.23Å; F586-L623 HydrophobicContact CE2-CB 4.3Å; F586-L623 HydrophobicContact CE2-CD2 3.8Å; F586-L623 HydrophobicContact CZ-CB 3.98Å; F586-L623 HydrophobicContact CZ-CD2 4.24Å; L589-L623 HydrophobicContact CD1-CD1 3.23Å; L589-L623 HydrophobicContact CD1-CD2 4.1Å; L589-L623 HydrophobicContact CD1-CG 4.29Å; L612-L623 HydrophobicContact CD2-CB 3.51Å; L615-L623 HydrophobicContact CD1-CD1 3.51Å; T619-L623 WeakPolarHBondContact O-CB 3.43Å; T619-L623 WeakPolarHBondContact O-CD1 3.34Å; T619-L623 WeakPolarHBondContact O-CG 3.44Å; T619-L623 PolarHBondContact O-N 2.59Å; L623-L626 HydrophobicContact CD2-CD2 4.35Å; L623-L626 PolarHBondContact O-N 3.4Å; L623-H627 WeakPolarHBondContact O-CB 3.22Å; L623-H627 PolarHBondContact O-N 2.82Å; L623-A645 HydrophobicContact CD2-CB 4.17Å
624	T	87.2	Confident	82.6	Confident	51 Å²	51	66.8 Å²	66.8	31%	0.313	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-41.6	172.3	-60.4	0	0	0	0	110.6	K620 H627 N628	K620-T624 VanDerWaalsContact O-CB 3.23Å; K620-T624 WeakPolarHBondContact O-CB 3.2Å; K620-T624 PolarHBondContact O-N 3.14Å; K620-T624 PolarHBondContact O-OG1 2.61Å; T624-H627 PolarHBondContact O-N 2.84Å; T624-N628 VanDerWaalsContact O-CG 3.23Å; T624-N628 PolarHBondContact O-N 3.27Å; T624-N628 VanDerWaalsContact O-N 3.09Å; T624-N628 PolarHBondContact O-ND2 2.89Å
625	K	87.4	Confident	83.1	Confident	128 Å²	128	61.3 Å²	61.3	56%	0.557	31%	0.312	S	S	*	.	H	α-helix	trans	-62.7	-45.4	173.6	-69.7	178.4	179.5	-179.7	0	111.4	V621 A622 H627 N628 S629	V621-K625 PolarHBondContact O-N 2.87Å; A622-K625 PolarHBondContact O-N 3.19Å; K625-H627 VanDerWaalsContact C-N 3.35Å; K625-H627 PolarHBondContact O-N 3.09Å; K625-N628 PolarHBondContact O-N 3Å; K625-S629 PolarHBondContact O-N 3.11Å; K625-S629 PolarHBondContact O-OG 2.93Å
626	L	88.3	Confident	83.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-40.2	175.4	-178.6	62.7	0	0	0	112.9	T582 I585 A622 L623 N628 S629 F638 C641 L642 A645	T582-L626 HydrophobicContact CG2-CD2 4.03Å; T582-L626 HydrophobicContact CG2-CG 4.06Å; I585-L626 HydrophobicContact CD1-CD2 4.5Å; A622-L626 PolarHBondContact O-N 3.05Å; L623-L626 HydrophobicContact CD2-CD2 4.35Å; L623-L626 PolarHBondContact O-N 3.4Å; L626-N628 VanDerWaalsContact C-N 3.33Å; L626-N628 PolarHBondContact O-N 3.24Å; L626-S629 PolarHBondContact O-OG 3.26Å; L626-F638 HydrophobicContact CD1-CD2 4.02Å; L626-F638 HydrophobicContact CD1-CE2 3.45Å; L626-F638 VanDerWaalsContact CD1-CE2 3.45Å; L626-F638 HydrophobicContact CD1-CZ 3.94Å; L626-C641 HydrophobicContact CD1-CB 4.37Å; L626-L642 HydrophobicContact CD1-CB 3.92Å; L626-L642 HydrophobicContact CD1-CD1 4.14Å; L626-L642 HydrophobicContact CD2-CD1 4.04Å; L626-A645 HydrophobicContact CB-CB 4.11Å; L626-A645 HydrophobicContact CD2-CB 3.68Å; L626-A645 HydrophobicContact CG-CB 4.43Å
627	H	87.8	Confident	83.9	Confident	7 Å²	7	66.6 Å²	66.6	3%	0.032	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-41.1	176.3	175.8	74.4	0	0	0	112	S605 R608 K609 L612 L623 T624 K625	S605-H627 PolarHBondContact OG-CE1 3.14Å; S605-H627 VanDerWaalsContact OG-CE1 3.25Å; R608-H627 PolarHBondContact NH1-ND1 3Å; K609-H627 WeakPolarHBondContact CE-NE2 3.44Å; L612-H627 HydrophobicContact CD1-CB 4.36Å; L623-H627 WeakPolarHBondContact O-CB 3.22Å; L623-H627 PolarHBondContact O-N 2.82Å; T624-H627 PolarHBondContact O-N 2.84Å; K625-H627 VanDerWaalsContact C-N 3.35Å; K625-H627 PolarHBondContact O-N 3.09Å
628	N	88.1	Confident	84.8	Confident	82 Å²	82	60.6 Å²	60.6	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-72.6	-36.5	-178.7	-68.1	-19.6	0	0	0	112.4	T624 K625 L626 L630 N631	T624-N628 VanDerWaalsContact O-CG 3.23Å; T624-N628 PolarHBondContact O-N 3.27Å; T624-N628 VanDerWaalsContact O-N 3.09Å; T624-N628 PolarHBondContact O-ND2 2.89Å; K625-N628 PolarHBondContact O-N 3Å; L626-N628 VanDerWaalsContact C-N 3.33Å; L626-N628 PolarHBondContact O-N 3.24Å; N628-L630 PolarHBondContact O-N 2.9Å; N628-N631 PolarHBondContact O-N 3.31Å
629	S	88.8	Confident	85.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-18.4	-177.8	63.8	0	0	0	0	114.2	K625 L626 N631 E632 F638	K625-S629 PolarHBondContact O-N 3.11Å; K625-S629 PolarHBondContact O-OG 2.93Å; L626-S629 PolarHBondContact O-OG 3.26Å; S629-N631 PolarHBondContact O-N 2.93Å; S629-E632 WeakPolarHBondContact O-CB 3.35Å; S629-E632 PolarHBondContact O-N 3.14Å; S629-E632 VanDerWaalsContact O-N 3.13Å; S629-F638 WeakPolarHBondContact OG-CD2 3.47Å
630	L	85.7	Confident	86	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.042	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21	170.1	-66	176.5	0	0	0	114.1	L574 C578 T582 R608 N628 F638	L574-L630 WeakPolarHBondContact O-CD2 3.3Å; C578-L630 HydrophobicContact CB-CD2 3.78Å; T582-L630 HydrophobicContact CG2-CD1 4.2Å; R608-L630 VanDerWaalsContact NH2-CD1 3.3Å; N628-L630 PolarHBondContact O-N 2.9Å; L630-F638 HydrophobicContact CD2-CD2 3.87Å; L630-F638 HydrophobicContact CD2-CE2 3.34Å; L630-F638 HydrophobicContact CD2-CZ 4.12Å; L630-F638 HydrophobicContact CG-CD2 4.49Å; L630-F638 HydrophobicContact CG-CE2 4.1Å
631	N	83.3	Confident	86.3	Confident	125 Å²	125	54 Å²	54	67%	0.668	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-1.7	176.7	-63.9	-55.9	0	0	0	112.7	N628 S629	N628-N631 PolarHBondContact O-N 3.31Å; S629-N631 PolarHBondContact O-N 2.93Å
632	E	76.7	Confident	86.5	Confident	87 Å²	87	50.3 Å²	50.3	41%	0.407	26%	0.26	S	S	.	.	S	Bend	trans	-79.4	177.3	178	-68.7	176.3	178.1	0	0	111.6	L574 S629	L574-E632 WeakPolarHBondContact CD1-O 3.09Å; S629-E632 WeakPolarHBondContact O-CB 3.35Å; S629-E632 PolarHBondContact O-N 3.14Å; S629-E632 VanDerWaalsContact O-N 3.13Å
633	K	77.6	Confident	86.7	Confident	199 Å²	199	51.6 Å²	51.6	87%	0.865	27%	0.265	S	S	*	.	S	Bend	trans	-102.1	0.2	-177.5	-65.5	-176.1	-178.7	178.4	0	113.7	T570	T570-K633 VanDerWaalsContact CG2-O 3.28Å; T570-K633 WeakPolarHBondContact CG2-O 3.19Å
634	S	83.6	Confident	86.7	Confident	33 Å²	33	54.6 Å²	54.6	23%	0.231	29%	0.286	C	S	.	.			trans	-122.2	126.4	-170.5	178	0	0	0	0	111.4	E636 D637 F638	S634-E636 PolarHBondContact OG-N 3.37Å; S634-D637 WeakPolarHBondContact CB-OD2 3.25Å; S634-D637 VanDerWaalsContact OG-CG 3.32Å; S634-D637 PolarHBondContact OG-N 2.77Å; S634-D637 PolarHBondContact OG-OD2 3.35Å; S634-F638 PolarHBondContact O-N 3.41Å
635	I	87	Confident	86.7	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-76.3	-33	173.9	-65.9	160.5	0	0	0	110.4	I551 E555 M558 T570 L573 D637 F638 I639	I551-I635 HydrophobicContact CG2-CG2 4.1Å; E555-I635 HydrophobicContact CB-CG2 4.32Å; E555-I635 HydrophobicContact CG-CB 4.33Å; E555-I635 HydrophobicContact CG-CD1 4.32Å; E555-I635 HydrophobicContact CG-CG2 4.02Å; M558-I635 HydrophobicContact CE-CD1 3.47Å; M558-I635 VanDerWaalsContact CE-CD1 3.47Å; M558-I635 HydrophobicContact SD-CD1 3.77Å; T570-I635 HydrophobicContact CG2-CD1 4.01Å; T570-I635 HydrophobicContact CG2-CG1 3.75Å; L573-I635 HydrophobicContact CD2-CD1 3.72Å; L573-I635 HydrophobicContact CD2-CG1 4.35Å; I635-D637 VanDerWaalsContact C-N 3.32Å; I635-D637 PolarHBondContact O-N 2.92Å; I635-F638 WeakPolarHBondContact O-CB 3.14Å; I635-F638 PolarHBondContact O-N 2.87Å; I635-I639 HydrophobicContact CG2-CD1 3.77Å; I635-I639 HydrophobicContact CG2-CG1 4.14Å; I635-I639 WeakPolarHBondContact O-CG1 3.34Å; I635-I639 PolarHBondContact O-N 2.89Å
636	E	86.6	Confident	86.7	Confident	117 Å²	117	46.1 Å²	46.1	55%	0.547	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-41.9	179.1	-64	-178.6	178.5	0	0	110.4	K559 S634 I639 S640	K559-E636 IonicContact NZ-OE1 3.36Å; S634-E636 PolarHBondContact OG-N 3.37Å; E636-I639 PolarHBondContact O-N 3.39Å; E636-S640 PolarHBondContact O-N 3.23Å
637	D	87.4	Confident	86.6	Confident	86 Å²	86	53.5 Å²	53.5	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-66.5	-39.8	175.3	-62.9	-30.6	0	0	0	111.5	S634 I635 S640 C641	S634-D637 WeakPolarHBondContact CB-OD2 3.25Å; S634-D637 VanDerWaalsContact OG-CG 3.32Å; S634-D637 PolarHBondContact OG-N 2.77Å; S634-D637 PolarHBondContact OG-OD2 3.35Å; I635-D637 VanDerWaalsContact C-N 3.32Å; I635-D637 PolarHBondContact O-N 2.92Å; D637-S640 PolarHBondContact O-N 3.08Å; D637-C641 PolarHBondContact O-N 2.83Å; D637-C641 PolarHBondContact O-SG 3.5Å
638	F	92.3	Very high	86.4	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-47.5	173.4	173.2	-92.9	0	0	0	112	I551 L574 C578 I581 L626 S629 L630 S634 I635 S640 C641 L642	I551-F638 HydrophobicContact CD1-CE1 4.2Å; L574-F638 HydrophobicContact CD2-CB 3.82Å; L574-F638 HydrophobicContact CD2-CD1 4.5Å; L574-F638 HydrophobicContact CD2-CD2 4.04Å; L574-F638 HydrophobicContact CD2-CG 3.85Å; C578-F638 HydrophobicContact CB-CD1 4.23Å; C578-F638 HydrophobicContact CB-CD2 4.47Å; C578-F638 HydrophobicContact CB-CE1 3.68Å; C578-F638 HydrophobicContact CB-CE2 3.97Å; C578-F638 HydrophobicContact CB-CZ 3.54Å; C578-F638 WeakPolarHBondContact O-CZ 3.42Å; C578-F638 WeakPolarHBondContact SG-CE1 3.5Å; I581-F638 HydrophobicContact CG2-CE1 4.36Å; I581-F638 HydrophobicContact CG2-CZ 3.98Å; L626-F638 HydrophobicContact CD1-CD2 4.02Å; L626-F638 HydrophobicContact CD1-CE2 3.45Å; L626-F638 VanDerWaalsContact CD1-CE2 3.45Å; L626-F638 HydrophobicContact CD1-CZ 3.94Å; S629-F638 WeakPolarHBondContact OG-CD2 3.47Å; L630-F638 HydrophobicContact CD2-CD2 3.87Å; L630-F638 HydrophobicContact CD2-CE2 3.34Å; L630-F638 HydrophobicContact CD2-CZ 4.12Å; L630-F638 HydrophobicContact CG-CD2 4.49Å; L630-F638 HydrophobicContact CG-CE2 4.1Å; S634-F638 PolarHBondContact O-N 3.41Å; I635-F638 WeakPolarHBondContact O-CB 3.14Å; I635-F638 PolarHBondContact O-N 2.87Å; F638-S640 VanDerWaalsContact C-N 3.31Å; F638-S640 PolarHBondContact O-N 2.65Å; F638-C641 PolarHBondContact O-N 3.37Å; F638-L642 HydrophobicContact CE1-CB 4.39Å; F638-L642 HydrophobicContact CE1-CD2 3.91Å; F638-L642 HydrophobicContact CZ-CD2 4.33Å; F638-L642 WeakPolarHBondContact O-CB 3.27Å; F638-L642 PolarHBondContact O-N 3Å
639	I	89.1	Confident	86.1	Confident	14 Å²	14	51.7 Å²	51.7	7%	0.072	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-40.1	178.5	-69.3	170.1	0	0	0	110.5	Y548 I551 R552 I635 E636 L642 D643	Y548-I639 HydrophobicContact CE2-CG2 4.01Å; Y548-I639 WeakPolarHBondContact OH-CG2 3.41Å; I551-I639 HydrophobicContact CG2-CD1 4.24Å; I551-I639 HydrophobicContact CG2-CG1 4.28Å; R552-I639 HydrophobicContact CG-CD1 4.15Å; I635-I639 HydrophobicContact CG2-CD1 3.77Å; I635-I639 HydrophobicContact CG2-CG1 4.14Å; I635-I639 WeakPolarHBondContact O-CG1 3.34Å; I635-I639 PolarHBondContact O-N 2.89Å; E636-I639 PolarHBondContact O-N 3.39Å; I639-L642 PolarHBondContact O-N 3.37Å; I639-D643 PolarHBondContact O-N 2.81Å
640	S	89.4	Confident	85.8	Confident	73 Å²	73	58.6 Å²	58.6	51%	0.51	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-43.2	175	-172.5	0	0	0	0	111.8	E636 D637 F638 L642 D643 S644	E636-S640 PolarHBondContact O-N 3.23Å; D637-S640 PolarHBondContact O-N 3.08Å; F638-S640 VanDerWaalsContact C-N 3.31Å; F638-S640 PolarHBondContact O-N 2.65Å; S640-L642 VanDerWaalsContact C-N 3.31Å; S640-D643 PolarHBondContact O-N 2.88Å; S640-S644 PolarHBondContact O-N 3.43Å; S640-S644 VanDerWaalsContact O-N 3.14Å; S640-S644 PolarHBondContact O-OG 2.95Å
641	C	90.3	Very high	85.7	Confident	25 Å²	25	58.6 Å²	58.6	17%	0.169	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-34.5	176.3	-67.7	0	0	0	0	112.1	L626 D637 F638 A645	L626-C641 HydrophobicContact CD1-CB 4.37Å; D637-C641 PolarHBondContact O-N 2.83Å; D637-C641 PolarHBondContact O-SG 3.5Å; F638-C641 PolarHBondContact O-N 3.37Å; C641-A645 VanDerWaalsContact O-CB 3.3Å; C641-A645 WeakPolarHBondContact O-CB 3.14Å; C641-A645 PolarHBondContact O-N 3.39Å
642	L	89.6	Confident	85.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69.4	-42.9	176.8	179.8	63.2	0	0	0	111.7	Y548 I581 I585 L626 F638 I639 S640 S644 A645 A646	Y548-L642 HydrophobicContact CD2-CD2 3.63Å; Y548-L642 HydrophobicContact CD2-CG 4.39Å; Y548-L642 HydrophobicContact CE2-CD2 4.09Å; I581-L642 HydrophobicContact CD1-CD1 4.43Å; I581-L642 HydrophobicContact CD1-CD2 3.71Å; I581-L642 HydrophobicContact CG1-CD1 4.38Å; I581-L642 HydrophobicContact CG1-CD2 4.41Å; I581-L642 HydrophobicContact CG2-CD2 4.39Å; I585-L642 HydrophobicContact CD1-CD1 3.47Å; I585-L642 VanDerWaalsContact CD1-CD1 3.47Å; L626-L642 HydrophobicContact CD1-CB 3.92Å; L626-L642 HydrophobicContact CD1-CD1 4.14Å; L626-L642 HydrophobicContact CD2-CD1 4.04Å; F638-L642 HydrophobicContact CE1-CB 4.39Å; F638-L642 HydrophobicContact CE1-CD2 3.91Å; F638-L642 HydrophobicContact CZ-CD2 4.33Å; F638-L642 WeakPolarHBondContact O-CB 3.27Å; F638-L642 PolarHBondContact O-N 3Å; I639-L642 PolarHBondContact O-N 3.37Å; S640-L642 VanDerWaalsContact C-N 3.31Å; L642-S644 VanDerWaalsContact C-N 3.34Å; L642-S644 PolarHBondContact O-N 3.08Å; L642-A645 PolarHBondContact O-N 3.48Å; L642-A646 VanDerWaalsContact O-CB 3.28Å; L642-A646 WeakPolarHBondContact O-CB 3.49Å; L642-A646 PolarHBondContact O-N 3.14Å
643	D	88.3	Confident	86	Confident	41 Å²	41	55 Å²	55	22%	0.219	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-46.1	174.4	-79.7	-2.8	0	0	0	109.8	Y548 I639 S640 A645 A646 E647 R655	Y548-D643 WeakPolarHBondContact CE2-OD1 3.17Å; Y548-D643 VanDerWaalsContact CZ-OD1 3.26Å; Y548-D643 PolarHBondContact OH-OD1 2.64Å; Y548-D643 PolarHBondContact OH-OD2 3.24Å; I639-D643 PolarHBondContact O-N 2.81Å; S640-D643 PolarHBondContact O-N 2.88Å; D643-A645 PolarHBondContact O-N 2.87Å; D643-A646 PolarHBondContact O-N 2.84Å; D643-E647 WeakPolarHBondContact O-CB 3.42Å; D643-E647 PolarHBondContact O-N 2.92Å; D643-R655 IonicContact OD2-NH2 2.78Å; D643-R655 PolarHBondContact OD2-NH2 2.91Å
644	S	87.6	Confident	86.2	Confident	62 Å²	62	51.1 Å²	51.1	43%	0.434	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-38.3	175.9	-60.4	0	0	0	0	113.6	S640 L642 A648	S640-S644 PolarHBondContact O-N 3.43Å; S640-S644 VanDerWaalsContact O-N 3.14Å; S640-S644 PolarHBondContact O-OG 2.95Å; L642-S644 VanDerWaalsContact C-N 3.34Å; L642-S644 PolarHBondContact O-N 3.08Å; S644-A648 WeakPolarHBondContact O-CB 3.38Å; S644-A648 PolarHBondContact O-N 2.85Å; S644-A648 VanDerWaalsContact O-N 3.08Å
645	A	87.2	Confident	86.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-71.3	-39.3	177.8	0	0	0	0	0	112	A622 L623 L626 C641 L642 D643 A648 C649	A622-A645 HydrophobicContact CB-CB 4.47Å; L623-A645 HydrophobicContact CD2-CB 4.17Å; L626-A645 HydrophobicContact CB-CB 4.11Å; L626-A645 HydrophobicContact CD2-CB 3.68Å; L626-A645 HydrophobicContact CG-CB 4.43Å; C641-A645 VanDerWaalsContact O-CB 3.3Å; C641-A645 WeakPolarHBondContact O-CB 3.14Å; C641-A645 PolarHBondContact O-N 3.39Å; L642-A645 PolarHBondContact O-N 3.48Å; D643-A645 PolarHBondContact O-N 2.87Å; A645-A648 PolarHBondContact O-N 3.21Å; A645-C649 WeakPolarHBondContact O-CB 3.47Å; A645-C649 PolarHBondContact O-N 3.49Å; A645-C649 PolarHBondContact O-SG 2.94Å
646	A	86.4	Confident	85.5	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-41	176.3	0	0	0	0	0	111.6	L642 D643 C649 D650 I651 V653	L642-A646 VanDerWaalsContact O-CB 3.28Å; L642-A646 WeakPolarHBondContact O-CB 3.49Å; L642-A646 PolarHBondContact O-N 3.14Å; D643-A646 PolarHBondContact O-N 2.84Å; A646-C649 CarbonylContact O-C 3.56Å; A646-C649 PolarHBondContact O-N 2.7Å; A646-D650 PolarHBondContact O-N 3.44Å; A646-I651 HydrophobicContact CB-CB 4.21Å; A646-I651 PolarHBondContact O-N 3.46Å; A646-V653 HydrophobicContact CB-CG2 3.64Å
647	E	86.5	Confident	85.3	Confident	155 Å²	155	56.1 Å²	56.1	72%	0.724	30%	0.3	S	S	*	.	H	α-helix	trans	-61.3	-46.4	173.5	-174.3	173.4	-164.3	0	0	111.6	D643 C649 D650	D643-E647 WeakPolarHBondContact O-CB 3.42Å; D643-E647 PolarHBondContact O-N 2.92Å; E647-C649 PolarHBondContact O-N 2.66Å; E647-D650 PolarHBondContact O-N 3.1Å
648	A	83.6	Confident	85	Confident	38 Å²	38	60.1 Å²	60.1	31%	0.314	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-23.9	176.8	0	0	0	0	0	113.5	T619 A622 S644 A645	T619-A648 HydrophobicContact CG2-CB 4.5Å; T619-A648 WeakPolarHBondContact CG2-O 3.43Å; A622-A648 HydrophobicContact CB-CB 3.88Å; S644-A648 WeakPolarHBondContact O-CB 3.38Å; S644-A648 PolarHBondContact O-N 2.85Å; S644-A648 VanDerWaalsContact O-N 3.08Å; A645-A648 PolarHBondContact O-N 3.21Å
649	C	82.4	Confident	84.6	Confident	13 Å²	13	67.9 Å²	67.9	9%	0.088	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	9.4	179.9	-58.9	0	0	0	0	113.6	L589 A645 A646 E647 I651	L589-C649 HydrophobicContact CD2-CB 4.44Å; A645-C649 WeakPolarHBondContact O-CB 3.47Å; A645-C649 PolarHBondContact O-N 3.49Å; A645-C649 PolarHBondContact O-SG 2.94Å; A646-C649 CarbonylContact O-C 3.56Å; A646-C649 PolarHBondContact O-N 2.7Å; E647-C649 PolarHBondContact O-N 2.66Å; C649-I651 HydrophobicContact CB-CD1 3.89Å; C649-I651 HydrophobicContact CB-CG1 3.94Å; C649-I651 PolarHBondContact O-N 3.48Å
650	D	81.5	Confident	84.2	Confident	144 Å²	144	70.3 Å²	70.3	77%	0.77	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	28.7	-174.1	-65.7	-45	0	0	0	114.2	A646 E647	A646-D650 PolarHBondContact O-N 3.44Å; E647-D650 PolarHBondContact O-N 3.1Å
651	I	84.3	Confident	84	Confident	8 Å²	8	69.1 Å²	69.1	4%	0.041	34%	0.342	C	S	.	.			trans	-94	109.3	178.3	-58.8	174.7	0	0	0	109.2	L540 Q541 V544 I585 F588 A646 C649 V653	L540-I651 HydrophobicContact CD2-CD1 3.94Å; L540-I651 HydrophobicContact CD2-CG1 4.34Å; Q541-I651 HydrophobicContact CG-CG2 4.05Å; V544-I651 HydrophobicContact CB-CG2 4.36Å; V544-I651 HydrophobicContact CG1-CG2 4.12Å; V544-I651 HydrophobicContact CG2-CG2 4.33Å; I585-I651 HydrophobicContact CG1-CD1 3.99Å; I585-I651 HydrophobicContact CG2-CD1 4.11Å; F588-I651 HydrophobicContact CD1-CD1 4.39Å; A646-I651 HydrophobicContact CB-CB 4.21Å; A646-I651 PolarHBondContact O-N 3.46Å; C649-I651 HydrophobicContact CB-CD1 3.89Å; C649-I651 HydrophobicContact CB-CG1 3.94Å; C649-I651 PolarHBondContact O-N 3.48Å; I651-V653 HydrophobicContact CG2-CG2 4.43Å; I651-V653 PolarHBondContact O-N 2.92Å
652	M	82.9	Confident	83.8	Confident	107 Å²	107	77 Å²	77	53%	0.527	37%	0.368	S	S	.	.			trans	-79	102.8	177.4	-168.8	179.9	64.6	0	0	111.4
653	V	82.7	Confident	83.7	Confident	31 Å²	31	82 Å²	82	19%	0.188	39%	0.391	C	S	.	.			trans	-83.3	117.7	177	-175.3	0	0	0	0	110.8	V544 Y548 A646 I651	V544-V653 HydrophobicContact CG1-CG2 3.91Å; Y548-V653 HydrophobicContact CD1-CG1 3.72Å; Y548-V653 HydrophobicContact CD2-CG1 3.68Å; Y548-V653 HydrophobicContact CE1-CG1 4.13Å; Y548-V653 HydrophobicContact CE2-CG1 4.08Å; Y548-V653 HydrophobicContact CG-CG1 3.48Å; Y548-V653 VanDerWaalsContact CG-CG1 3.48Å; A646-V653 HydrophobicContact CB-CG2 3.64Å; I651-V653 HydrophobicContact CG2-CG2 4.43Å; I651-V653 PolarHBondContact O-N 2.92Å
654	K	81.9	Confident	83.6	Confident	116 Å²	116	80.5 Å²	80.5	50%	0.504	38%	0.383	S	S	.	.			trans	-88.5	112	177.1	-68.2	-180	-176	172.3	0	110.9	S545 N549 G656	S545-K654 PolarHBondContact OG-N 2.88Å; N549-K654 PolarHBondContact ND2-O 3.1Å; N549-K654 VanDerWaalsContact ND2-O 3.09Å; K654-G656 PolarHBondContact O-N 3.24Å
655	R	80.8	Confident	83.5	Confident	152 Å²	152	79.1 Å²	79.1	57%	0.574	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-65.1	127.3	169.4	-63.2	-179.2	177.1	-177	-0.2	109.4	Y548 D643	Y548-R655 HydrophobicContact CE1-CG 4.18Å; D643-R655 IonicContact OD2-NH2 2.78Å; D643-R655 PolarHBondContact OD2-NH2 2.91Å
656	G	74.9	Confident	83.5	Confident	19 Å²	19	85.2 Å²	85.2	20%	0.196	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-65.1	137.9	-178.9	0	0	0	0	0	112.1	N549 K654	N549-G656 WeakPolarHBondContact OD1-CA 3.47Å; N549-G656 PolarHBondContact OD1-N 3.13Å; K654-G656 PolarHBondContact O-N 3.24Å
657	D	82.1	Confident	83.5	Confident	93 Å²	93	89.9 Å²	89.9	50%	0.497	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-79.7	167	168.2	68.8	-22.3	0	0	0	110.5	K659 R660 E661	D657-K659 PolarHBondContact O-N 3.31Å; D657-K659 WeakPolarHBondContact OD2-CB 3.41Å; D657-R660 PolarHBondContact O-N 3.14Å; D657-R660 WeakPolarHBondContact OD1-CA 3.32Å; D657-R660 WeakPolarHBondContact OD1-CB 3.5Å; D657-R660 PolarHBondContact OD1-N 3.06Å; D657-E661 PolarHBondContact O-N 3.31Å
658	K	81.9	Confident	83.7	Confident	169 Å²	169	84.2 Å²	84.2	74%	0.735	39%	0.392	S	S	*	.	H	α-helix	trans	-54.1	-27.1	178.3	-75	-174.7	178	179.2	0	112.9	R662	K658-R662 WeakPolarHBondContact O-CG 3.45Å; K658-R662 PolarHBondContact O-N 2.82Å
659	K	83.1	Confident	83.8	Confident	163 Å²	163	85.5 Å²	85.5	71%	0.709	39%	0.389	S	S	*	.	H	α-helix	trans	-74.3	-46.3	176.9	-169.8	-179.2	176.8	-176.7	0	111.6	D657 R662 Q663	D657-K659 PolarHBondContact O-N 3.31Å; D657-K659 WeakPolarHBondContact OD2-CB 3.41Å; K659-R662 PolarHBondContact O-N 3.2Å; K659-Q663 PolarHBondContact O-N 3.41Å
660	R	82	Confident	84.1	Confident	66 Å²	66	89.3 Å²	89.3	25%	0.249	41%	0.406	C	S	.	.	H	α-helix	trans	-66.6	-37.7	175.9	-170.1	170.3	-175.8	128.6	1.9	111.8	N546 D657 R662 Q663 I664	N546-R660 PolarHBondContact OD1-NH2 3.35Å; D657-R660 PolarHBondContact O-N 3.14Å; D657-R660 WeakPolarHBondContact OD1-CA 3.32Å; D657-R660 WeakPolarHBondContact OD1-CB 3.5Å; D657-R660 PolarHBondContact OD1-N 3.06Å; R660-R662 VanDerWaalsContact C-N 3.34Å; R660-R662 PolarHBondContact O-N 3.12Å; R660-Q663 PolarHBondContact O-N 2.97Å; R660-I664 HydrophobicContact CG-CD1 4.04Å; R660-I664 HydrophobicContact CG-CG1 4.44Å; R660-I664 VanDerWaalsContact O-CG1 3.28Å; R660-I664 WeakPolarHBondContact O-CG1 3.37Å; R660-I664 PolarHBondContact O-N 3.09Å
661	E	84.7	Confident	84.4	Confident	47 Å²	47	84.6 Å²	84.6	22%	0.22	39%	0.387	C	S	.	.	H	α-helix	trans	-57.7	-45.6	172.1	-70.6	-169	158.8	0	0	111.6	L553 K556 D657 Q663 I664 L665	L553-E661 HydrophobicContact CD1-CB 4.45Å; L553-E661 HydrophobicContact CD1-CG 4.41Å; L553-E661 HydrophobicContact CD2-CB 4.22Å; L553-E661 HydrophobicContact CD2-CG 4.05Å; K556-E661 IonicContact NZ-OE1 3.29Å; K556-E661 PolarHBondContact NZ-OE1 2.95Å; K556-E661 IonicContact NZ-OE2 2.75Å; K556-E661 PolarHBondContact NZ-OE2 3.34Å; D657-E661 PolarHBondContact O-N 3.31Å; E661-Q663 VanDerWaalsContact C-N 3.34Å; E661-Q663 PolarHBondContact O-N 3.41Å; E661-I664 PolarHBondContact O-N 3.33Å; E661-L665 WeakPolarHBondContact O-CB 3.28Å; E661-L665 WeakPolarHBondContact O-CD1 3.48Å; E661-L665 WeakPolarHBondContact O-CG 3.27Å; E661-L665 PolarHBondContact O-N 3.34Å
662	R	85.2	Confident	84.6	Confident	190 Å²	190	85.1 Å²	85.1	72%	0.717	39%	0.389	S	S	*	.	H	α-helix	trans	-63	-39	175.6	-74.2	174.9	-177.3	-176.8	-0.1	112.6	K658 K659 R660 F666	K658-R662 WeakPolarHBondContact O-CG 3.45Å; K658-R662 PolarHBondContact O-N 2.82Å; K659-R662 PolarHBondContact O-N 3.2Å; R660-R662 VanDerWaalsContact C-N 3.34Å; R660-R662 PolarHBondContact O-N 3.12Å; R662-F666 WeakPolarHBondContact O-CB 3.48Å; R662-F666 PolarHBondContact O-N 3.47Å
663	Q	87.3	Confident	84.8	Confident	105 Å²	105	81 Å²	81	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-45.8	177.4	-177.7	178	-7.2	0	0	111.6	K659 R660 E661 L665 F666 Q667	K659-Q663 PolarHBondContact O-N 3.41Å; R660-Q663 PolarHBondContact O-N 2.97Å; E661-Q663 VanDerWaalsContact C-N 3.34Å; E661-Q663 PolarHBondContact O-N 3.41Å; Q663-L665 VanDerWaalsContact C-N 3.35Å; Q663-L665 PolarHBondContact O-N 3.41Å; Q663-F666 PolarHBondContact O-N 3.33Å; Q663-Q667 WeakPolarHBondContact O-CG 3.47Å; Q663-Q667 PolarHBondContact O-N 3.34Å
664	I	86.8	Confident	85.1	Confident	11 Å²	11	84.3 Å²	84.3	6%	0.056	39%	0.386	C	S	.	.	H	α-helix	trans	-61.6	-44.8	177.3	-68.1	168.4	0	0	0	110.2	N549 N550 L553 R660 E661 F666 Q667 H668 M701	N549-I664 HydrophobicContact CB-CD1 3.66Å; N550-I664 WeakPolarHBondContact OD1-CG2 3.42Å; L553-I664 HydrophobicContact CD1-CB 4.16Å; L553-I664 HydrophobicContact CD1-CD1 4.43Å; L553-I664 HydrophobicContact CD1-CG2 3.86Å; R660-I664 HydrophobicContact CG-CD1 4.04Å; R660-I664 HydrophobicContact CG-CG1 4.44Å; R660-I664 VanDerWaalsContact O-CG1 3.28Å; R660-I664 WeakPolarHBondContact O-CG1 3.37Å; R660-I664 PolarHBondContact O-N 3.09Å; E661-I664 PolarHBondContact O-N 3.33Å; I664-F666 VanDerWaalsContact C-N 3.3Å; I664-F666 PolarHBondContact O-N 2.72Å; I664-Q667 PolarHBondContact O-N 3.42Å; I664-H668 WeakPolarHBondContact O-CB 3.46Å; I664-H668 PolarHBondContact O-N 2.96Å; I664-M701 HydrophobicContact CG2-CE 3.54Å; I664-M701 HydrophobicContact CG2-SD 4.03Å
665	L	86.1	Confident	85.4	Confident	33 Å²	33	83.9 Å²	83.9	17%	0.173	39%	0.386	C	S	.	.	H	α-helix	trans	-57	-43.5	175.1	-80.6	163.1	0	0	0	112.2	E661 Q663 R669 Q695 H699 M701	E661-L665 WeakPolarHBondContact O-CB 3.28Å; E661-L665 WeakPolarHBondContact O-CD1 3.48Å; E661-L665 WeakPolarHBondContact O-CG 3.27Å; E661-L665 PolarHBondContact O-N 3.34Å; Q663-L665 VanDerWaalsContact C-N 3.35Å; Q663-L665 PolarHBondContact O-N 3.41Å; L665-R669 WeakPolarHBondContact O-CB 3.25Å; L665-R669 PolarHBondContact O-N 2.86Å; L665-R669 VanDerWaalsContact O-N 3.11Å; L665-Q695 PolarHBondContact O-NE2 3.39Å; L665-H699 WeakPolarHBondContact CD2-O 3.41Å; L665-M701 HydrophobicContact CD2-CB 4.48Å; L665-M701 HydrophobicContact CD2-CG 3.33Å; L665-M701 HydrophobicContact CD2-SD 4.28Å; L665-M701 HydrophobicContact CG-CG 4.26Å
666	F	86.3	Confident	85.8	Confident	127 Å²	127	76.7 Å²	76.7	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-65.4	-46.8	177.8	179.5	-95.3	0	0	0	111.9	R662 Q663 I664 R669 Q670	R662-F666 WeakPolarHBondContact O-CB 3.48Å; R662-F666 PolarHBondContact O-N 3.47Å; Q663-F666 PolarHBondContact O-N 3.33Å; I664-F666 VanDerWaalsContact C-N 3.3Å; I664-F666 PolarHBondContact O-N 2.72Å; F666-R669 PolarHBondContact O-N 3.42Å; F666-Q670 PolarHBondContact O-N 2.95Å
667	Q	87.7	Confident	86.4	Confident	101 Å²	101	82 Å²	82	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-43.8	178.7	-73.2	174.6	-18.8	0	0	112	Q663 I664 R669 Q670 A671	Q663-Q667 WeakPolarHBondContact O-CG 3.47Å; Q663-Q667 PolarHBondContact O-N 3.34Å; I664-Q667 PolarHBondContact O-N 3.42Å; Q667-R669 VanDerWaalsContact C-N 3.33Å; Q667-R669 PolarHBondContact O-N 3.17Å; Q667-Q670 PolarHBondContact O-N 3.15Å; Q667-A671 WeakPolarHBondContact O-CB 3.38Å; Q667-A671 PolarHBondContact O-N 3.31Å
668	H	88.8	Confident	86.7	Confident	35 Å²	35	83.4 Å²	83.4	16%	0.162	39%	0.388	C	S	.	.	H	α-helix	trans	-59.9	-43.6	176.1	-177.7	-98.2	0	0	0	111.8	F554 I664 Q670 A671 L672 Q695 M701	F554-H668 AromaticContact CE1-NE2 3.74Å; F554-H668 AromaticContact CZ-NE2 3.82Å; I664-H668 WeakPolarHBondContact O-CB 3.46Å; I664-H668 PolarHBondContact O-N 2.96Å; H668-Q670 PolarHBondContact O-N 2.98Å; H668-A671 PolarHBondContact O-N 2.89Å; H668-L672 WeakPolarHBondContact CE1-CD1 3.19Å; H668-L672 WeakPolarHBondContact O-CG 3.37Å; H668-L672 PolarHBondContact O-N 3.13Å; H668-Q695 PolarHBondContact ND1-OE1 3.33Å; H668-M701 HydrophobicContact CB-CG 4.45Å; H668-M701 HydrophobicContact CB-SD 3.36Å; H668-M701 WeakPolarHBondContact CB-SD 3.32Å
669	R	87	Confident	86.9	Confident	65 Å²	65	76.3 Å²	76.3	25%	0.245	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-44.2	176.2	-178.7	-173.3	-64.9	-169.9	-5.3	111.8	L665 F666 Q667 A673 L692 F696	L665-R669 WeakPolarHBondContact O-CB 3.25Å; L665-R669 PolarHBondContact O-N 2.86Å; L665-R669 VanDerWaalsContact O-N 3.11Å; F666-R669 PolarHBondContact O-N 3.42Å; Q667-R669 VanDerWaalsContact C-N 3.33Å; Q667-R669 PolarHBondContact O-N 3.17Å; R669-A673 VanDerWaalsContact O-CB 3.3Å; R669-A673 WeakPolarHBondContact O-CB 3.26Å; R669-A673 PolarHBondContact O-N 3.05Å; R669-L692 HydrophobicContact CG-CD2 4.11Å; R669-F696 HydrophobicContact CG-CE2 4.4Å; R669-F696 HydrophobicContact CG-CZ 4Å; R669-F696 VanDerWaalsContact NH1-CE1 3.33Å
670	Q	87.6	Confident	87.1	Confident	93 Å²	93	76.7 Å²	76.7	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-46.3	178.6	-175.9	176.2	0.8	0	0	111.1	F666 Q667 H668 L672 A673 E674	F666-Q670 PolarHBondContact O-N 2.95Å; Q667-Q670 PolarHBondContact O-N 3.15Å; H668-Q670 PolarHBondContact O-N 2.98Å; Q670-L672 PolarHBondContact O-N 3.04Å; Q670-A673 PolarHBondContact O-N 3.35Å; Q670-E674 WeakPolarHBondContact CG-OE1 3.49Å; Q670-E674 PolarHBondContact NE2-OE1 2.8Å; Q670-E674 WeakPolarHBondContact O-CG 3.42Å; Q670-E674 PolarHBondContact O-N 3.42Å
671	A	88.2	Confident	87.3	Confident	45 Å²	45	77.4 Å²	77.4	37%	0.372	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-46.4	178.8	0	0	0	0	0	112	Q667 H668 A673 E674 Q675	Q667-A671 WeakPolarHBondContact O-CB 3.38Å; Q667-A671 PolarHBondContact O-N 3.31Å; H668-A671 PolarHBondContact O-N 2.89Å; A671-A673 VanDerWaalsContact C-N 3.35Å; A671-A673 PolarHBondContact O-N 2.91Å; A671-E674 PolarHBondContact O-N 2.95Å; A671-Q675 WeakPolarHBondContact O-CG 3.37Å; A671-Q675 PolarHBondContact O-N 3.15Å
672	L	88.8	Confident	87.4	Confident	19 Å²	19	75.9 Å²	75.9	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-37.8	176.2	-70.6	-178.2	0	0	0	112.3	H668 Q670 Q675 L676 L688 V691 L692	H668-L672 WeakPolarHBondContact CE1-CD1 3.19Å; H668-L672 WeakPolarHBondContact O-CG 3.37Å; H668-L672 PolarHBondContact O-N 3.13Å; Q670-L672 PolarHBondContact O-N 3.04Å; L672-Q675 PolarHBondContact O-N 3.31Å; L672-L676 WeakPolarHBondContact O-CB 3.34Å; L672-L676 PolarHBondContact O-N 2.83Å; L672-L688 HydrophobicContact CD2-CD2 3.67Å; L672-V691 HydrophobicContact CD1-CG1 3.78Å; L672-L692 HydrophobicContact CB-CD1 3.98Å; L672-L692 HydrophobicContact CB-CD2 3.62Å; L672-L692 HydrophobicContact CB-CG 3.82Å; L672-L692 HydrophobicContact CD1-CD2 4.09Å; L672-L692 HydrophobicContact CD1-CG 4.19Å
673	A	87.6	Confident	87.5	Confident	21 Å²	21	68.2 Å²	68.2	17%	0.174	34%	0.343	C	S	.	.	H	α-helix	trans	-67.9	-36.9	177.1	0	0	0	0	0	112.3	R669 Q670 A671 L676 K677 L783	R669-A673 VanDerWaalsContact O-CB 3.3Å; R669-A673 WeakPolarHBondContact O-CB 3.26Å; R669-A673 PolarHBondContact O-N 3.05Å; Q670-A673 PolarHBondContact O-N 3.35Å; A671-A673 VanDerWaalsContact C-N 3.35Å; A671-A673 PolarHBondContact O-N 2.91Å; A673-L676 PolarHBondContact O-N 3.35Å; A673-K677 WeakPolarHBondContact O-CG 3.21Å; A673-K677 PolarHBondContact O-N 3.37Å; A673-L783 HydrophobicContact CB-CD2 4.14Å
674	E	88.8	Confident	87.5	Confident	101 Å²	101	66.7 Å²	66.7	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-66.9	-44.1	173.6	-74.9	171.2	-169.3	0	0	111.4	Q670 A671 L676 K677	Q670-E674 WeakPolarHBondContact CG-OE1 3.49Å; Q670-E674 PolarHBondContact NE2-OE1 2.8Å; Q670-E674 WeakPolarHBondContact O-CG 3.42Å; Q670-E674 PolarHBondContact O-N 3.42Å; A671-E674 PolarHBondContact O-N 2.95Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 2.85Å; E674-K677 WeakPolarHBondContact O-CB 3.49Å; E674-K677 PolarHBondContact O-N 2.79Å
675	Q	87.7	Confident	87.7	Confident	107 Å²	107	66.2 Å²	66.2	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-41.8	173.4	-72.8	178.1	-5.9	0	0	111.9	A671 L672 K677 V678 T679 L688	A671-Q675 WeakPolarHBondContact O-CG 3.37Å; A671-Q675 PolarHBondContact O-N 3.15Å; L672-Q675 PolarHBondContact O-N 3.31Å; Q675-K677 VanDerWaalsContact C-N 3.31Å; Q675-K677 PolarHBondContact O-N 3.04Å; Q675-V678 PolarHBondContact O-N 2.8Å; Q675-T679 WeakPolarHBondContact O-CB 3.34Å; Q675-T679 PolarHBondContact O-N 3.17Å; Q675-T679 PolarHBondContact O-OG1 3.26Å; Q675-L688 HydrophobicContact CB-CD1 4.03Å
676	L	89.1	Confident	87.9	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-33.5	179.1	-178.8	62.3	0	0	0	112.8	L672 A673 E674 I685 L688 L692 K779 V782 L783	L672-L676 WeakPolarHBondContact O-CB 3.34Å; L672-L676 PolarHBondContact O-N 2.83Å; A673-L676 PolarHBondContact O-N 3.35Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 2.85Å; L676-I685 HydrophobicContact CD1-CB 4.46Å; L676-I685 HydrophobicContact CD1-CG2 4.17Å; L676-L688 HydrophobicContact CB-CB 4.4Å; L676-L688 HydrophobicContact CB-CD1 4.32Å; L676-L688 HydrophobicContact CD1-CB 4.04Å; L676-L692 HydrophobicContact CB-CD1 4.4Å; L676-L692 HydrophobicContact CD2-CD1 3.87Å; L676-K779 HydrophobicContact CD1-CG 3.92Å; L676-K779 HydrophobicContact CG-CG 4.09Å; L676-K779 WeakPolarHBondContact O-CE 3.49Å; L676-K779 PolarHBondContact O-NZ 2.98Å; L676-V782 HydrophobicContact CD2-CB 4.23Å; L676-L783 HydrophobicContact CD2-CD2 4.48Å; L676-L783 HydrophobicContact CD2-CG 4.28Å
677	K	87.3	Confident	88.1	Confident	131 Å²	131	60.7 Å²	60.7	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-61.1	-47.7	177.1	-74.6	171	-175.5	178.3	0	111.4	A673 E674 Q675 K779 L783	A673-K677 WeakPolarHBondContact O-CG 3.21Å; A673-K677 PolarHBondContact O-N 3.37Å; E674-K677 WeakPolarHBondContact O-CB 3.49Å; E674-K677 PolarHBondContact O-N 2.79Å; Q675-K677 VanDerWaalsContact C-N 3.31Å; Q675-K677 PolarHBondContact O-N 3.04Å; K677-K779 PolarHBondContact O-NZ 3.39Å; K677-K779 VanDerWaalsContact O-NZ 3.12Å; K677-L783 HydrophobicContact CG-CD1 3.74Å; K677-L783 HydrophobicContact CG-CD2 4.07Å
678	V	87.9	Confident	88.2	Confident	122 Å²	122	56.2 Å²	56.2	74%	0.739	29%	0.29	S	S	*	.	H	α-helix	trans	-82.8	-24.2	-173.2	-173.2	0	0	0	0	112.6	Q675 E680	Q675-V678 PolarHBondContact O-N 2.8Å; V678-E680 PolarHBondContact O-N 2.93Å
679	T	88.1	Confident	88.3	Confident	20 Å²	20	54.6 Å²	54.6	12%	0.123	28%	0.282	C	S	.	.			trans	-68.1	126.4	-175.5	-61.7	0	0	0	0	112.6	Q675 D681 L684 I685 K779	Q675-T679 WeakPolarHBondContact O-CB 3.34Å; Q675-T679 PolarHBondContact O-N 3.17Å; Q675-T679 PolarHBondContact O-OG1 3.26Å; T679-D681 HydrophobicContact CG2-CB 4.36Å; T679-L684 HydrophobicContact CG2-CB 3.7Å; T679-L684 HydrophobicContact CG2-CD2 3.65Å; T679-L684 HydrophobicContact CG2-CG 3.69Å; T679-I685 HydrophobicContact CG2-CG1 3.91Å; T679-K779 WeakPolarHBondContact O-CE 3.45Å; T679-K779 PolarHBondContact O-NZ 2.92Å
680	E	85.6	Confident	88.5	Confident	172 Å²	172	51.5 Å²	51.5	80%	0.804	27%	0.271	S	S	*	.			trans	-103.3	-16.1	173.8	-62.4	-172.7	167.6	0	0	113.8	V678 P682	V678-E680 PolarHBondContact O-N 2.93Å; E680-P682 WeakPolarHBondContact O-CD 3.43Å
681	D	87.4	Confident	88.6	Confident	81 Å²	81	47.3 Å²	47.3	43%	0.433	25%	0.252	S	S	.	.			trans	-69.3	120.1	179.7	173.8	44.5	0	0	0	111.7	T679 A683 L684 I685	T679-D681 HydrophobicContact CG2-CB 4.36Å; D681-A683 VanDerWaalsContact C-N 3.3Å; D681-A683 PolarHBondContact O-N 3.36Å; D681-L684 HydrophobicContact CB-CB 4.11Å; D681-L684 PolarHBondContact O-N 2.86Å; D681-L684 WeakPolarHBondContact OD2-CB 3.35Å; D681-L684 PolarHBondContact OD2-N 2.88Å; D681-I685 VanDerWaalsContact O-CG1 3.27Å; D681-I685 WeakPolarHBondContact O-CG1 3.5Å; D681-I685 PolarHBondContact O-N 3.1Å
682	P	86.3	Confident	88.7	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-37.1	-177.8	-28.8	37.1	0	0	0	114.6	E680 L686 Y731 V735 L771	E680-P682 WeakPolarHBondContact O-CD 3.43Å; P682-L686 PolarHBondContact O-N 2.99Å; P682-L686 VanDerWaalsContact O-N 3.08Å; P682-Y731 VanDerWaalsContact CA-OH 3.3Å; P682-Y731 WeakPolarHBondContact CA-OH 3.29Å; P682-Y731 WeakPolarHBondContact CB-OH 3.47Å; P682-Y731 WeakPolarHBondContact O-CE1 3.49Å; P682-Y731 PolarHBondContact O-OH 3.46Å; P682-V735 HydrophobicContact CB-CG2 4.22Å; P682-L771 HydrophobicContact CB-CB 4.33Å; P682-L771 HydrophobicContact CB-CD1 4.24Å; P682-L771 HydrophobicContact CB-CD2 4.26Å; P682-L771 HydrophobicContact CG-CB 4.22Å; P682-L771 HydrophobicContact CG-CD1 4.47Å
683	A	87	Confident	88.7	Confident	29 Å²	29	44.8 Å²	44.8	24%	0.24	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-42.5	-179.8	0	0	0	0	0	111.6	D681 L686 H687 V735	D681-A683 VanDerWaalsContact C-N 3.3Å; D681-A683 PolarHBondContact O-N 3.36Å; A683-L686 PolarHBondContact O-N 3.44Å; A683-H687 WeakPolarHBondContact O-CB 3.25Å; A683-H687 PolarHBondContact O-N 2.93Å; A683-V735 HydrophobicContact CB-CG1 3.89Å
684	L	87.6	Confident	88.8	Confident	73 Å²	73	43.8 Å²	43.8	38%	0.382	22%	0.224	S	C	.	.	H	α-helix	trans	-69.4	-35.5	175.1	-172.6	59.5	0	0	0	112.5	T679 D681 L686 H687 L688	T679-L684 HydrophobicContact CG2-CB 3.7Å; T679-L684 HydrophobicContact CG2-CD2 3.65Å; T679-L684 HydrophobicContact CG2-CG 3.69Å; D681-L684 HydrophobicContact CB-CB 4.11Å; D681-L684 PolarHBondContact O-N 2.86Å; D681-L684 WeakPolarHBondContact OD2-CB 3.35Å; D681-L684 PolarHBondContact OD2-N 2.88Å; L684-L686 PolarHBondContact O-N 2.92Å; L684-H687 PolarHBondContact O-N 3.18Å; L684-L688 HydrophobicContact CD1-CD1 4.25Å; L684-L688 HydrophobicContact CD1-CG 4.02Å; L684-L688 HydrophobicContact CG-CD1 3.98Å; L684-L688 HydrophobicContact CG-CG 4.22Å; L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 WeakPolarHBondContact O-CG 3.3Å; L684-L688 PolarHBondContact O-N 3.05Å
685	I	90.2	Very high	88.9	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-58	-48.8	171.8	-70.7	166.5	0	0	0	110.4	L676 T679 D681 H687 T689 I778 K779	L676-I685 HydrophobicContact CD1-CB 4.46Å; L676-I685 HydrophobicContact CD1-CG2 4.17Å; T679-I685 HydrophobicContact CG2-CG1 3.91Å; D681-I685 VanDerWaalsContact O-CG1 3.27Å; D681-I685 WeakPolarHBondContact O-CG1 3.5Å; D681-I685 PolarHBondContact O-N 3.1Å; I685-H687 VanDerWaalsContact C-N 3.33Å; I685-H687 PolarHBondContact O-N 3.31Å; I685-T689 WeakPolarHBondContact O-CB 3.47Å; I685-T689 PolarHBondContact O-N 3.48Å; I685-T689 PolarHBondContact O-OG1 3.15Å; I685-I778 HydrophobicContact CG2-CB 4.3Å; I685-I778 HydrophobicContact CG2-CG2 3.74Å; I685-K779 HydrophobicContact CG2-CG 4.08Å
686	L	91	Very high	88.9	Confident	7 Å²	7	37 Å²	37	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-42.6	177.6	-177.4	58.2	0	0	0	111.4	P682 A683 L684 S690 V709 I713 L728 Y731 Q732 V735	P682-L686 PolarHBondContact O-N 2.99Å; P682-L686 VanDerWaalsContact O-N 3.08Å; A683-L686 PolarHBondContact O-N 3.44Å; L684-L686 PolarHBondContact O-N 2.92Å; L686-S690 VanDerWaalsContact O-CB 3.3Å; L686-S690 WeakPolarHBondContact O-CB 3.45Å; L686-S690 PolarHBondContact O-N 2.71Å; L686-S690 PolarHBondContact O-OG 3.38Å; L686-V709 HydrophobicContact CD2-CG1 4.11Å; L686-V709 HydrophobicContact CG-CG1 3.91Å; L686-I713 HydrophobicContact CD1-CD1 3.88Å; L686-I713 HydrophobicContact CD2-CD1 4.41Å; L686-I713 HydrophobicContact CG-CD1 4.35Å; L686-L728 HydrophobicContact CD1-CD2 4.12Å; L686-Y731 HydrophobicContact CB-CD1 3.94Å; L686-Y731 HydrophobicContact CB-CE1 3.86Å; L686-Y731 HydrophobicContact CD1-CD1 3.91Å; L686-Y731 HydrophobicContact CD2-CD1 4.31Å; L686-Y731 HydrophobicContact CG-CD1 4.25Å; L686-Q732 HydrophobicContact CD2-CB 3.93Å; L686-Q732 HydrophobicContact CD2-CG 4.26Å; L686-V735 HydrophobicContact CD2-CB 4.21Å; L686-V735 HydrophobicContact CD2-CG1 4.39Å; L686-V735 HydrophobicContact CD2-CG2 4.14Å
687	H	90.8	Very high	88.7	Confident	38 Å²	38	38.9 Å²	38.9	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-55.9	180	-178	69	0	0	0	112	A683 L684 I685 T689 S690 V691 A704 V709	A683-H687 WeakPolarHBondContact O-CB 3.25Å; A683-H687 PolarHBondContact O-N 2.93Å; L684-H687 PolarHBondContact O-N 3.18Å; I685-H687 VanDerWaalsContact C-N 3.33Å; I685-H687 PolarHBondContact O-N 3.31Å; H687-T689 VanDerWaalsContact C-N 3.33Å; H687-T689 PolarHBondContact O-N 2.79Å; H687-S690 PolarHBondContact O-N 3.06Å; H687-V691 WeakPolarHBondContact O-CG2 3.43Å; H687-V691 PolarHBondContact O-N 2.82Å; H687-A704 PolarHBondContact CE1-O 2.85Å; H687-A704 PolarHBondContact NE2-O 3.35Å; H687-V709 HydrophobicContact CB-CG2 4.19Å; H687-V709 WeakPolarHBondContact ND1-CG2 3.49Å
688	L	90.1	Very high	88.6	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-41.3	-179.9	-68.7	175.2	0	0	0	111.5	L672 Q675 L676 L684 V691 L692	L672-L688 HydrophobicContact CD2-CD2 3.67Å; Q675-L688 HydrophobicContact CB-CD1 4.03Å; L676-L688 HydrophobicContact CB-CB 4.4Å; L676-L688 HydrophobicContact CB-CD1 4.32Å; L676-L688 HydrophobicContact CD1-CB 4.04Å; L684-L688 HydrophobicContact CD1-CD1 4.25Å; L684-L688 HydrophobicContact CD1-CG 4.02Å; L684-L688 HydrophobicContact CG-CD1 3.98Å; L684-L688 HydrophobicContact CG-CG 4.22Å; L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 WeakPolarHBondContact O-CG 3.3Å; L684-L688 PolarHBondContact O-N 3.05Å; L688-V691 PolarHBondContact O-N 3.41Å; L688-L692 VanDerWaalsContact O-CB 3.31Å; L688-L692 WeakPolarHBondContact O-CB 3.41Å; L688-L692 WeakPolarHBondContact O-CG 3.42Å; L688-L692 PolarHBondContact O-N 2.83Å
689	T	90.6	Very high	88.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-44.8	176.9	-60.5	0	0	0	0	111.7	I685 H687 L692 L693 L728 I778 V782	I685-T689 WeakPolarHBondContact O-CB 3.47Å; I685-T689 PolarHBondContact O-N 3.48Å; I685-T689 PolarHBondContact O-OG1 3.15Å; H687-T689 VanDerWaalsContact C-N 3.33Å; H687-T689 PolarHBondContact O-N 2.79Å; T689-L692 PolarHBondContact O-N 3.07Å; T689-L693 HydrophobicContact CG2-CD1 3.95Å; T689-L693 HydrophobicContact CG2-CG 4.41Å; T689-L693 WeakPolarHBondContact O-CB 3.32Å; T689-L693 WeakPolarHBondContact O-CG 3.3Å; T689-L693 PolarHBondContact O-N 3.25Å; T689-L728 HydrophobicContact CG2-CD2 4.03Å; T689-I778 HydrophobicContact CG2-CG2 3.83Å; T689-V782 HydrophobicContact CG2-CG2 3.75Å
690	S	90.3	Very high	88.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-42.2	179.4	-57.2	0	0	0	0	112	L686 H687 F694	L686-S690 VanDerWaalsContact O-CB 3.3Å; L686-S690 WeakPolarHBondContact O-CB 3.45Å; L686-S690 PolarHBondContact O-N 2.71Å; L686-S690 PolarHBondContact O-OG 3.38Å; H687-S690 PolarHBondContact O-N 3.06Å; S690-F694 WeakPolarHBondContact O-CB 3.36Å; S690-F694 PolarHBondContact O-N 3.37Å
691	V	90.8	Very high	88.7	Confident	6 Å²	6	26 Å²	26	4%	0.036	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-39.5	177.3	173.9	0	0	0	0	111.4	L672 H687 L688 F694 Q695 L702 I712	L672-V691 HydrophobicContact CD1-CG1 3.78Å; H687-V691 WeakPolarHBondContact O-CG2 3.43Å; H687-V691 PolarHBondContact O-N 2.82Å; L688-V691 PolarHBondContact O-N 3.41Å; V691-F694 WeakPolarHBondContact O-CB 3.44Å; V691-F694 PolarHBondContact O-N 2.86Å; V691-Q695 WeakPolarHBondContact O-CB 3.38Å; V691-Q695 PolarHBondContact O-N 2.97Å; V691-L702 WeakPolarHBondContact CG1-O 3.32Å; V691-I712 HydrophobicContact CG2-CD1 4.49Å
692	L	89.6	Confident	88.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-46.5	176	-80.2	165	0	0	0	112	R669 L672 L676 L688 T689 F694 Q695 F696 V782	R669-L692 HydrophobicContact CG-CD2 4.11Å; L672-L692 HydrophobicContact CB-CD1 3.98Å; L672-L692 HydrophobicContact CB-CD2 3.62Å; L672-L692 HydrophobicContact CB-CG 3.82Å; L672-L692 HydrophobicContact CD1-CD2 4.09Å; L672-L692 HydrophobicContact CD1-CG 4.19Å; L676-L692 HydrophobicContact CB-CD1 4.4Å; L676-L692 HydrophobicContact CD2-CD1 3.87Å; L688-L692 VanDerWaalsContact O-CB 3.31Å; L688-L692 WeakPolarHBondContact O-CB 3.41Å; L688-L692 WeakPolarHBondContact O-CG 3.42Å; L688-L692 PolarHBondContact O-N 2.83Å; T689-L692 PolarHBondContact O-N 3.07Å; L692-F694 VanDerWaalsContact C-N 3.28Å; L692-F694 PolarHBondContact O-N 3.38Å; L692-Q695 CarbonylContact O-C 3.59Å; L692-Q695 PolarHBondContact O-N 3.01Å; L692-Q695 VanDerWaalsContact O-N 3.08Å; L692-F696 HydrophobicContact CB-CD2 4.44Å; L692-F696 HydrophobicContact CB-CE2 4.37Å; L692-F696 HydrophobicContact CD2-CE2 4.36Å; L692-F696 WeakPolarHBondContact O-CD2 3.34Å; L692-F696 PolarHBondContact O-N 3.18Å; L692-V782 HydrophobicContact CB-CG1 3.62Å; L692-V782 HydrophobicContact CB-CG2 4.24Å; L692-V782 HydrophobicContact CD1-CG1 3.76Å; L692-V782 HydrophobicContact CD2-CG1 4.48Å; L692-V782 HydrophobicContact CG-CG1 4.15Å
693	L	89.3	Confident	88.9	Confident	11 Å²	11	24 Å²	24	6%	0.058	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-37.5	176.6	-73.4	173.5	0	0	0	112.2	T689 F696 S697 L716 L728 V782	T689-L693 HydrophobicContact CG2-CD1 3.95Å; T689-L693 HydrophobicContact CG2-CG 4.41Å; T689-L693 WeakPolarHBondContact O-CB 3.32Å; T689-L693 WeakPolarHBondContact O-CG 3.3Å; T689-L693 PolarHBondContact O-N 3.25Å; L693-F696 PolarHBondContact O-N 2.99Å; L693-S697 PolarHBondContact O-N 3.33Å; L693-S697 PolarHBondContact O-OG 3.24Å; L693-L716 HydrophobicContact CB-CD1 3.76Å; L693-L716 HydrophobicContact CB-CD2 4.17Å; L693-L716 HydrophobicContact CD1-CD1 4.44Å; L693-L728 HydrophobicContact CD1-CD1 3.56Å; L693-L728 HydrophobicContact CD1-CD2 4.29Å; L693-L728 HydrophobicContact CD1-CG 4.46Å; L693-V782 HydrophobicContact CD1-CG2 4.49Å; L693-V782 HydrophobicContact CD2-CG2 3.89Å; L693-V782 HydrophobicContact CG-CG2 3.78Å
694	F	90.1	Very high	88.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.3	-52.1	169.9	-179.9	-89.8	0	0	0	110.4	F560 F561 S690 V691 L692 F696 S697 T698 T700 L702 I712 F715 L716	F560-F694 HydrophobicContact CB-CE2 4.35Å; F560-F694 HydrophobicContact CB-CZ 4.24Å; F560-F694 HydrophobicContact CD2-CZ 4.17Å; F560-F694 HydrophobicContact CG-CZ 4.37Å; F561-F694 HydrophobicContact CE2-CD2 4.4Å; F561-F694 AromaticContact CE2-CE2 3.64Å; F561-F694 HydrophobicContact CE2-CE2 3.64Å; F561-F694 AromaticContact CE2-CZ 3.85Å; F561-F694 HydrophobicContact CE2-CZ 3.85Å; F561-F694 AromaticContact CZ-CD2 3.92Å; F561-F694 HydrophobicContact CZ-CD2 3.92Å; F561-F694 AromaticContact CZ-CE2 3.52Å; F561-F694 HydrophobicContact CZ-CE2 3.52Å; F561-F694 HydrophobicContact CZ-CZ 4.2Å; S690-F694 WeakPolarHBondContact O-CB 3.36Å; S690-F694 PolarHBondContact O-N 3.37Å; V691-F694 WeakPolarHBondContact O-CB 3.44Å; V691-F694 PolarHBondContact O-N 2.86Å; L692-F694 VanDerWaalsContact C-N 3.28Å; L692-F694 PolarHBondContact O-N 3.38Å; F694-F696 VanDerWaalsContact C-N 3.28Å; F694-F696 PolarHBondContact O-N 3.24Å; F694-S697 PolarHBondContact O-N 2.84Å; F694-S697 VanDerWaalsContact O-N 3.12Å; F694-S697 PolarHBondContact O-OG 3.01Å; F694-T698 HydrophobicContact CD2-CG2 4.15Å; F694-T698 HydrophobicContact CE1-CG2 4.37Å; F694-T698 WeakPolarHBondContact CE1-OG1 3.36Å; F694-T698 HydrophobicContact CE2-CG2 3.82Å; F694-T698 HydrophobicContact CZ-CG2 3.95Å; F694-T698 PolarHBondContact O-N 3.43Å; F694-T698 PolarHBondContact O-OG1 3.43Å; F694-T700 WeakPolarHBondContact CE1-OG1 3.49Å; F694-L702 HydrophobicContact CD1-CB 3.65Å; F694-L702 HydrophobicContact CD1-CD2 3.96Å; F694-L702 HydrophobicContact CD1-CG 4.4Å; F694-L702 HydrophobicContact CD2-CD2 4.27Å; F694-L702 HydrophobicContact CE1-CB 3.76Å; F694-L702 HydrophobicContact CE1-CD2 4.17Å; F694-L702 HydrophobicContact CE1-CG 4.39Å; F694-L702 HydrophobicContact CE2-CD2 4.47Å; F694-L702 HydrophobicContact CG-CB 4.48Å; F694-L702 HydrophobicContact CG-CD2 4.01Å; F694-L702 HydrophobicContact CZ-CD2 4.42Å; F694-I712 HydrophobicContact CB-CG2 4.19Å; F694-F715 AromaticContact CD2-CD1 3.81Å; F694-F715 HydrophobicContact CD2-CD1 3.81Å; F694-F715 AromaticContact CD2-CE1 3.82Å; F694-F715 HydrophobicContact CD2-CE1 3.82Å; F694-F715 AromaticContact CE2-CD1 3.86Å; F694-F715 HydrophobicContact CE2-CD1 3.86Å; F694-F715 AromaticContact CE2-CE1 3.61Å; F694-F715 HydrophobicContact CE2-CE1 3.61Å; F694-F715 HydrophobicContact CE2-CZ 4.21Å; F694-L716 HydrophobicContact CB-CD2 4.5Å
695	Q	89.4	Confident	89	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-27.6	180	-172.2	174.5	4.2	0	0	113.9	L665 H668 V691 L692 H699 T700	L665-Q695 PolarHBondContact O-NE2 3.39Å; H668-Q695 PolarHBondContact ND1-OE1 3.33Å; V691-Q695 WeakPolarHBondContact O-CB 3.38Å; V691-Q695 PolarHBondContact O-N 2.97Å; L692-Q695 CarbonylContact O-C 3.59Å; L692-Q695 PolarHBondContact O-N 3.01Å; L692-Q695 VanDerWaalsContact O-N 3.08Å; Q695-H699 WeakPolarHBondContact O-CA 3.47Å; Q695-H699 PolarHBondContact O-N 2.93Å; Q695-T700 WeakPolarHBondContact CA-O 3.23Å; Q695-T700 WeakPolarHBondContact CG-O 3.26Å
696	F	87.8	Confident	88.8	Confident	65 Å²	65	22.6 Å²	22.6	29%	0.285	13%	0.129	S	C	.	.	H	α-helix	trans	-72.6	-35.5	173.3	-82.3	-67.1	0	0	0	112.8	R669 L692 L693 F694 V782	R669-F696 HydrophobicContact CG-CE2 4.4Å; R669-F696 HydrophobicContact CG-CZ 4Å; R669-F696 VanDerWaalsContact NH1-CE1 3.33Å; L692-F696 HydrophobicContact CB-CD2 4.44Å; L692-F696 HydrophobicContact CB-CE2 4.37Å; L692-F696 HydrophobicContact CD2-CE2 4.36Å; L692-F696 WeakPolarHBondContact O-CD2 3.34Å; L692-F696 PolarHBondContact O-N 3.18Å; L693-F696 PolarHBondContact O-N 2.99Å; F694-F696 VanDerWaalsContact C-N 3.28Å; F694-F696 PolarHBondContact O-N 3.24Å; F696-V782 HydrophobicContact CD2-CG1 4.04Å; F696-V782 HydrophobicContact CE2-CG1 3.42Å; F696-V782 VanDerWaalsContact CE2-CG1 3.42Å; F696-V782 HydrophobicContact CZ-CG1 4.37Å
697	S	86.1	Confident	88.5	Confident	39 Å²	39	29.3 Å²	29.3	27%	0.273	15%	0.154	S	C	.	.	H	α-helix	trans	-87.2	-33.7	-176.9	55.8	0	0	0	0	114.1	L693 F694	L693-S697 PolarHBondContact O-N 3.33Å; L693-S697 PolarHBondContact O-OG 3.24Å; F694-S697 PolarHBondContact O-N 2.84Å; F694-S697 VanDerWaalsContact O-N 3.12Å; F694-S697 PolarHBondContact O-OG 3.01Å
698	T	85.6	Confident	88.4	Confident	22 Å²	22	27.7 Å²	27.7	14%	0.135	15%	0.147	C	C	.	.	H	α-helix	trans	-105	-12.7	-175.5	63.7	0	0	0	0	113.8	F694 T700 F715	F694-T698 HydrophobicContact CD2-CG2 4.15Å; F694-T698 HydrophobicContact CE1-CG2 4.37Å; F694-T698 WeakPolarHBondContact CE1-OG1 3.36Å; F694-T698 HydrophobicContact CE2-CG2 3.82Å; F694-T698 HydrophobicContact CZ-CG2 3.95Å; F694-T698 PolarHBondContact O-N 3.43Å; F694-T698 PolarHBondContact O-OG1 3.43Å; T698-T700 PolarHBondContact O-N 2.98Å; T698-T700 PolarHBondContact OG1-N 3.45Å; T698-T700 PolarHBondContact OG1-OG1 2.96Å; T698-F715 HydrophobicContact CG2-CE1 3.7Å; T698-F715 HydrophobicContact CG2-CZ 4Å
699	H	86.2	Confident	88.3	Confident	127 Å²	127	27.7 Å²	27.7	59%	0.588	15%	0.147	S	C	*	.	S	Bend	trans	55.5	22.5	-170.4	-60.1	-76.4	0	0	0	114.4	L665 Q695	L665-H699 WeakPolarHBondContact CD2-O 3.41Å; Q695-H699 WeakPolarHBondContact O-CA 3.47Å; Q695-H699 PolarHBondContact O-N 2.93Å
700	T	86.8	Confident	88.3	Confident	25 Å²	25	30 Å²	30	15%	0.153	16%	0.162	C	C	.	.			trans	-119	153.2	176.3	59.1	0	0	0	0	111.4	F560 F694 Q695 T698	F560-T700 HydrophobicContact CE2-CG2 3.91Å; F560-T700 HydrophobicContact CZ-CG2 4.45Å; F694-T700 WeakPolarHBondContact CE1-OG1 3.49Å; Q695-T700 WeakPolarHBondContact CA-O 3.23Å; Q695-T700 WeakPolarHBondContact CG-O 3.26Å; T698-T700 PolarHBondContact O-N 2.98Å; T698-T700 PolarHBondContact OG1-N 3.45Å; T698-T700 PolarHBondContact OG1-OG1 2.96Å
701	M	88.8	Confident	88.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.			trans	-85	147.4	177.7	-58.9	-164	-67.5	0	0	110.2	L553 F554 I664 L665 H668	L553-M701 HydrophobicContact CB-CE 3.27Å; L553-M701 HydrophobicContact CD1-CE 3.43Å; L553-M701 VanDerWaalsContact CD1-CE 3.43Å; L553-M701 HydrophobicContact CG-CE 3.94Å; F554-M701 HydrophobicContact CD1-CB 3.61Å; F554-M701 HydrophobicContact CE1-CB 3.55Å; I664-M701 HydrophobicContact CG2-CE 3.54Å; I664-M701 HydrophobicContact CG2-SD 4.03Å; L665-M701 HydrophobicContact CD2-CB 4.48Å; L665-M701 HydrophobicContact CD2-CG 3.33Å; L665-M701 HydrophobicContact CD2-SD 4.28Å; L665-M701 HydrophobicContact CG-CG 4.26Å; H668-M701 HydrophobicContact CB-CG 4.45Å; H668-M701 HydrophobicContact CB-SD 3.36Å; H668-M701 WeakPolarHBondContact CB-SD 3.32Å
702	L	89.6	Confident	88.1	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.178	C	C	.	.			trans	-133.4	127.2	176.6	-174	65	0	0	0	110	M558 F561 L569 V691 F694 A704 I712	M558-L702 HydrophobicContact CG-CD1 4.31Å; F561-L702 HydrophobicContact CD2-CD1 4.49Å; F561-L702 HydrophobicContact CE2-CD1 3.78Å; F561-L702 HydrophobicContact CE2-CD2 3.75Å; F561-L702 HydrophobicContact CE2-CG 4.44Å; F561-L702 HydrophobicContact CZ-CD2 3.75Å; L569-L702 HydrophobicContact CD1-CD1 4.07Å; L569-L702 HydrophobicContact CD2-CD1 4.38Å; V691-L702 WeakPolarHBondContact CG1-O 3.32Å; F694-L702 HydrophobicContact CD1-CB 3.65Å; F694-L702 HydrophobicContact CD1-CD2 3.96Å; F694-L702 HydrophobicContact CD1-CG 4.4Å; F694-L702 HydrophobicContact CD2-CD2 4.27Å; F694-L702 HydrophobicContact CE1-CB 3.76Å; F694-L702 HydrophobicContact CE1-CD2 4.17Å; F694-L702 HydrophobicContact CE1-CG 4.39Å; F694-L702 HydrophobicContact CE2-CD2 4.47Å; F694-L702 HydrophobicContact CG-CB 4.48Å; F694-L702 HydrophobicContact CG-CD2 4.01Å; F694-L702 HydrophobicContact CZ-CD2 4.42Å; L702-A704 HydrophobicContact CD2-CB 4.43Å; L702-A704 HydrophobicContact CG-CB 4.26Å; L702-I712 HydrophobicContact CD2-CD1 3.57Å; L702-I712 HydrophobicContact CD2-CG1 3.78Å
703	H	89.1	Confident	88.1	Confident	52 Å²	52	33.5 Å²	33.5	24%	0.241	18%	0.178	C	C	.	.			trans	-111.5	100.8	172.6	-170.6	62.7	0	0	0	109.1	F554 H572 L573 S576	F554-H703 HydrophobicContact CB-CB 4.45Å; F554-H703 HydrophobicContact CD1-CB 3.62Å; F554-H703 HydrophobicContact CD2-CB 3.89Å; F554-H703 HydrophobicContact CE1-CB 3.67Å; F554-H703 HydrophobicContact CE2-CB 3.94Å; F554-H703 HydrophobicContact CG-CB 3.74Å; F554-H703 HydrophobicContact CZ-CB 3.85Å; H572-H703 AromaticContact CE1-CD2 3.59Å; H572-H703 AromaticContact CE1-CE1 3.87Å; H572-H703 AromaticContact CE1-NE2 3.19Å; H572-H703 PolarHBondContact CE1-NE2 2.72Å; H572-H703 AromaticContact ND1-CD2 3.42Å; H572-H703 PolarHBondContact ND1-CD2 2.87Å; H572-H703 AromaticContact ND1-NE2 3.53Å; L573-H703 HydrophobicContact CD1-CB 4.31Å; S576-H703 PolarHBondContact OG-CD2 2.83Å; S576-H703 PolarHBondContact OG-NE2 3.39Å; S576-H703 VanDerWaalsContact OG-NE2 3.09Å
704	A	87.6	Confident	88	Confident	5 Å²	5	36.2 Å²	36.2	4%	0.041	20%	0.202	C	C	.	.			trans	-120.4	146.8	-171	0	0	0	0	0	112.1	L569 H687 L702 C708 I712	L569-A704 HydrophobicContact CD2-CB 3.48Å; L569-A704 VanDerWaalsContact CD2-CB 3.48Å; H687-A704 PolarHBondContact CE1-O 2.85Å; H687-A704 PolarHBondContact NE2-O 3.35Å; L702-A704 HydrophobicContact CD2-CB 4.43Å; L702-A704 HydrophobicContact CG-CB 4.26Å; A704-C708 HydrophobicContact CB-CB 4.37Å; A704-I712 HydrophobicContact CB-CD1 3.68Å
705	P	89.4	Confident	88	Confident	16 Å²	16	38.2 Å²	38.2	10%	0.104	21%	0.211	C	C	.	.			trans	-76.3	155.4	165.5	30.4	-30	0	0	0	110.6	H572 R707 C708	H572-P705 HydrophobicContact CB-CB 4.45Å; H572-P705 HydrophobicContact CB-CG 3.97Å; P705-R707 HydrophobicContact CB-CG 4.04Å; P705-R707 HydrophobicContact CG-CG 3.8Å; P705-R707 PolarHBondContact O-N 3.4Å; P705-C708 HydrophobicContact CG-CB 4.29Å; P705-C708 PolarHBondContact O-N 3.09Å
706	G	84.9	Confident	87.9	Confident	52 Å²	52	38.2 Å²	38.2	54%	0.536	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-52.8	-31.8	179.4	0	0	0	0	0	114.7	C708 V709	G706-C708 PolarHBondContact O-N 3.38Å; G706-V709 VanDerWaalsContact O-CB 3.3Å; G706-V709 WeakPolarHBondContact O-CB 3.45Å; G706-V709 VanDerWaalsContact O-CG2 3.22Å; G706-V709 WeakPolarHBondContact O-CG2 3.21Å; G706-V709 PolarHBondContact O-N 2.99Å
707	R	85.6	Confident	87.9	Confident	147 Å²	147	39.3 Å²	39.3	56%	0.555	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-64	-19.2	176.2	68.2	-176.4	-179.5	161.5	4.5	115.1	A568 P705 Q711	A568-R707 PolarHBondContact O-NH2 3.44Å; P705-R707 HydrophobicContact CB-CG 4.04Å; P705-R707 HydrophobicContact CG-CG 3.8Å; P705-R707 PolarHBondContact O-N 3.4Å; R707-Q711 PolarHBondContact O-OE1 2.91Å
708	C	88.3	Confident	87.7	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.027	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-93.3	-3.6	179.5	-66.2	0	0	0	0	112.5	L569 A704 P705 G706 Q711 I712	L569-C708 HydrophobicContact CD2-CB 4.22Å; A704-C708 HydrophobicContact CB-CB 4.37Å; P705-C708 HydrophobicContact CG-CB 4.29Å; P705-C708 PolarHBondContact O-N 3.09Å; G706-C708 PolarHBondContact O-N 3.38Å; C708-Q711 PolarHBondContact O-N 3.34Å; C708-Q711 PolarHBondContact O-OE1 3.35Å; C708-I712 WeakPolarHBondContact O-CG1 3.41Å; C708-I712 PolarHBondContact O-N 2.87Å; C708-I712 VanDerWaalsContact O-N 3.1Å
709	V	89.1	Confident	87.6	Confident	8 Å²	8	46.5 Å²	46.5	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-43	-179.9	173.1	0	0	0	0	112.9	L686 H687 G706 Q711 I712 I713	L686-V709 HydrophobicContact CD2-CG1 4.11Å; L686-V709 HydrophobicContact CG-CG1 3.91Å; H687-V709 HydrophobicContact CB-CG2 4.19Å; H687-V709 WeakPolarHBondContact ND1-CG2 3.49Å; G706-V709 VanDerWaalsContact O-CB 3.3Å; G706-V709 WeakPolarHBondContact O-CB 3.45Å; G706-V709 VanDerWaalsContact O-CG2 3.22Å; G706-V709 WeakPolarHBondContact O-CG2 3.21Å; G706-V709 PolarHBondContact O-N 2.99Å; V709-Q711 VanDerWaalsContact C-N 3.26Å; V709-Q711 PolarHBondContact O-N 3.44Å; V709-I712 WeakPolarHBondContact O-CB 3.42Å; V709-I712 PolarHBondContact O-N 3.32Å; V709-I712 VanDerWaalsContact O-N 3.11Å; V709-I713 HydrophobicContact CG1-CD1 3.78Å; V709-I713 HydrophobicContact CG1-CG1 4.3Å; V709-I713 WeakPolarHBondContact O-CG1 3.48Å; V709-I713 PolarHBondContact O-N 3.08Å
710	P	89.1	Confident	87.6	Confident	47 Å²	47	41.5 Å²	41.5	31%	0.305	23%	0.233	S	C	.	.	H	α-helix	trans	-55.4	-39.8	175	-28.6	37.4	0	0	0	113.7	I713 A714	P710-I713 PolarHBondContact O-N 3.07Å; P710-A714 WeakPolarHBondContact O-CB 3.24Å; P710-A714 PolarHBondContact O-N 3.04Å
711	Q	88.9	Confident	87.7	Confident	78 Å²	78	43.5 Å²	43.5	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-72.1	-33.9	180	-62.7	81.8	-9.2	0	0	111.3	T565 R707 C708 V709 F715	T565-Q711 HydrophobicContact CG2-CB 3.95Å; T565-Q711 HydrophobicContact CG2-CG 4.29Å; R707-Q711 PolarHBondContact O-OE1 2.91Å; C708-Q711 PolarHBondContact O-N 3.34Å; C708-Q711 PolarHBondContact O-OE1 3.35Å; V709-Q711 VanDerWaalsContact C-N 3.26Å; V709-Q711 PolarHBondContact O-N 3.44Å; Q711-F715 PolarHBondContact O-N 3.44Å
712	I	88.7	Confident	87.5	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-45.7	172	-62.1	165.3	0	0	0	110.5	F561 V691 F694 L702 A704 C708 V709 A714 F715 L716	F561-I712 HydrophobicContact CE1-CG1 4.07Å; F561-I712 HydrophobicContact CZ-CG1 3.89Å; V691-I712 HydrophobicContact CG2-CD1 4.49Å; F694-I712 HydrophobicContact CB-CG2 4.19Å; L702-I712 HydrophobicContact CD2-CD1 3.57Å; L702-I712 HydrophobicContact CD2-CG1 3.78Å; A704-I712 HydrophobicContact CB-CD1 3.68Å; C708-I712 WeakPolarHBondContact O-CG1 3.41Å; C708-I712 PolarHBondContact O-N 2.87Å; C708-I712 VanDerWaalsContact O-N 3.1Å; V709-I712 WeakPolarHBondContact O-CB 3.42Å; V709-I712 PolarHBondContact O-N 3.32Å; V709-I712 VanDerWaalsContact O-N 3.11Å; I712-A714 VanDerWaalsContact C-N 3.34Å; I712-A714 PolarHBondContact O-N 3.22Å; I712-F715 WeakPolarHBondContact O-CB 3.46Å; I712-F715 PolarHBondContact O-N 3.03Å; I712-L716 HydrophobicContact CG2-CD1 4.15Å; I712-L716 WeakPolarHBondContact O-CG 3.42Å; I712-L716 PolarHBondContact O-N 3.29Å
713	I	89.3	Confident	87.3	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-43.4	177.7	-64.9	168.5	0	0	0	110.5	L686 V709 P710 F715 L716 N717 H725 L728 V729 Q732	L686-I713 HydrophobicContact CD1-CD1 3.88Å; L686-I713 HydrophobicContact CD2-CD1 4.41Å; L686-I713 HydrophobicContact CG-CD1 4.35Å; V709-I713 HydrophobicContact CG1-CD1 3.78Å; V709-I713 HydrophobicContact CG1-CG1 4.3Å; V709-I713 WeakPolarHBondContact O-CG1 3.48Å; V709-I713 PolarHBondContact O-N 3.08Å; P710-I713 PolarHBondContact O-N 3.07Å; I713-F715 VanDerWaalsContact C-N 3.31Å; I713-F715 PolarHBondContact O-N 2.96Å; I713-L716 WeakPolarHBondContact O-CB 3.42Å; I713-L716 PolarHBondContact O-N 3.08Å; I713-L716 VanDerWaalsContact O-N 3.09Å; I713-N717 PolarHBondContact O-N 2.95Å; I713-H725 PolarHBondContact O-NE2 2.78Å; I713-L728 HydrophobicContact CG2-CB 4.2Å; I713-V729 HydrophobicContact CG2-CG2 3.98Å; I713-Q732 HydrophobicContact CD1-CB 4Å; I713-Q732 HydrophobicContact CD1-CG 4.15Å
714	A	88.5	Confident	87.2	Confident	67 Å²	67	56.7 Å²	56.7	55%	0.554	31%	0.312	S	S	*	.	H	α-helix	trans	-60.1	-39.2	175.7	0	0	0	0	0	112.8	P710 I712 N717	P710-A714 WeakPolarHBondContact O-CB 3.24Å; P710-A714 PolarHBondContact O-N 3.04Å; I712-A714 VanDerWaalsContact C-N 3.34Å; I712-A714 PolarHBondContact O-N 3.22Å; A714-N717 WeakPolarHBondContact O-CB 3.26Å; A714-N717 PolarHBondContact O-N 3.17Å
715	F	88.6	Confident	87.3	Confident	42 Å²	42	57.7 Å²	57.7	18%	0.184	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-40.7	173.7	176.2	-91.3	0	0	0	112	F560 F561 F694 T698 Q711 I712 I713 N717 S718 K719	F560-F715 HydrophobicContact CB-CE2 4.06Å; F560-F715 HydrophobicContact CB-CZ 4.12Å; F560-F715 HydrophobicContact CD1-CZ 4.13Å; F560-F715 HydrophobicContact CG-CZ 4.42Å; F561-F715 HydrophobicContact CE1-CB 3.97Å; F561-F715 HydrophobicContact CE1-CG 4.27Å; F694-F715 AromaticContact CD2-CD1 3.81Å; F694-F715 HydrophobicContact CD2-CD1 3.81Å; F694-F715 AromaticContact CD2-CE1 3.82Å; F694-F715 HydrophobicContact CD2-CE1 3.82Å; F694-F715 AromaticContact CE2-CD1 3.86Å; F694-F715 HydrophobicContact CE2-CD1 3.86Å; F694-F715 AromaticContact CE2-CE1 3.61Å; F694-F715 HydrophobicContact CE2-CE1 3.61Å; F694-F715 HydrophobicContact CE2-CZ 4.21Å; T698-F715 HydrophobicContact CG2-CE1 3.7Å; T698-F715 HydrophobicContact CG2-CZ 4Å; Q711-F715 PolarHBondContact O-N 3.44Å; I712-F715 WeakPolarHBondContact O-CB 3.46Å; I712-F715 PolarHBondContact O-N 3.03Å; I713-F715 VanDerWaalsContact C-N 3.31Å; I713-F715 PolarHBondContact O-N 2.96Å; F715-N717 PolarHBondContact O-N 2.89Å; F715-S718 PolarHBondContact O-OG 3.09Å; F715-K719 HydrophobicContact CE1-CG 4.29Å
716	L	87.6	Confident	87.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-22.1	-179.2	-72.1	171.8	0	0	0	113.7	L693 F694 I712 I713 S718 K719 I720	L693-L716 HydrophobicContact CB-CD1 3.76Å; L693-L716 HydrophobicContact CB-CD2 4.17Å; L693-L716 HydrophobicContact CD1-CD1 4.44Å; F694-L716 HydrophobicContact CB-CD2 4.5Å; I712-L716 HydrophobicContact CG2-CD1 4.15Å; I712-L716 WeakPolarHBondContact O-CG 3.42Å; I712-L716 PolarHBondContact O-N 3.29Å; I713-L716 WeakPolarHBondContact O-CB 3.42Å; I713-L716 PolarHBondContact O-N 3.08Å; I713-L716 VanDerWaalsContact O-N 3.09Å; L716-S718 PolarHBondContact O-N 3.36Å; L716-K719 WeakPolarHBondContact O-CA 3.22Å; L716-K719 PolarHBondContact O-N 3.38Å; L716-I720 HydrophobicContact CB-CD1 4.07Å; L716-I720 HydrophobicContact CB-CG1 4.44Å; L716-I720 HydrophobicContact CB-CG2 4.49Å; L716-I720 HydrophobicContact CD2-CG2 4.21Å; L716-I720 WeakPolarHBondContact O-CG1 3.46Å; L716-I720 PolarHBondContact O-N 3.44Å
717	N	87.7	Confident	87.5	Confident	89 Å²	89	59.2 Å²	59.2	48%	0.476	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-35.8	177.4	-168.5	27.8	0	0	0	113.6	I713 A714 F715 H725	I713-N717 PolarHBondContact O-N 2.95Å; A714-N717 WeakPolarHBondContact O-CB 3.26Å; A714-N717 PolarHBondContact O-N 3.17Å; F715-N717 PolarHBondContact O-N 2.89Å; N717-H725 WeakPolarHBondContact CB-NE2 3.36Å; N717-H725 VanDerWaalsContact CG-CE1 3.47Å; N717-H725 PolarHBondContact OD1-CE1 3.04Å; N717-H725 VanDerWaalsContact OD1-CE1 3.28Å; N717-H725 PolarHBondContact OD1-ND1 2.84Å; N717-H725 VanDerWaalsContact OD1-ND1 3.11Å
718	S	82.1	Confident	87.7	Confident	92 Å²	92	52.2 Å²	52.2	64%	0.643	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.9	179	67.4	0	0	0	0	114.7	F715 L716	F715-S718 PolarHBondContact O-OG 3.09Å; L716-S718 PolarHBondContact O-N 3.36Å
719	K	83.2	Confident	87.8	Confident	119 Å²	119	55.1 Å²	55.1	52%	0.517	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-14.8	-167.3	-62.5	-61.6	-178.4	-177.3	0	114.6	F715 L716	F715-K719 HydrophobicContact CE1-CG 4.29Å; L716-K719 WeakPolarHBondContact O-CA 3.22Å; L716-K719 PolarHBondContact O-N 3.38Å
720	I	87	Confident	87.8	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.118	33%	0.331	C	S	.	.	S	Bend	trans	-124.4	157.6	178.8	70.5	-177.8	0	0	0	110.5	L716 Q724 H725 L728	L716-I720 HydrophobicContact CB-CD1 4.07Å; L716-I720 HydrophobicContact CB-CG1 4.44Å; L716-I720 HydrophobicContact CB-CG2 4.49Å; L716-I720 HydrophobicContact CD2-CG2 4.21Å; L716-I720 WeakPolarHBondContact O-CG1 3.46Å; L716-I720 PolarHBondContact O-N 3.44Å; I720-Q724 HydrophobicContact CD1-CB 4.23Å; I720-Q724 HydrophobicContact CG1-CB 4.48Å; I720-H725 HydrophobicContact CD1-CB 3.91Å; I720-H725 HydrophobicContact CG1-CB 3.93Å; I720-L728 HydrophobicContact CD1-CD1 3.51Å
721	P	88.1	Confident	87.9	Confident	67 Å²	67	58.1 Å²	58.1	44%	0.435	32%	0.317	S	S	.	.			trans	-54.2	144.4	173.6	-28.4	37.8	0	0	0	113.5	D723 Q724 H725	P721-D723 VanDerWaalsContact C-N 3.27Å; P721-D723 WeakPolarHBondContact CB-OD1 3.47Å; P721-D723 PolarHBondContact O-N 3.07Å; P721-Q724 HydrophobicContact CB-CG 4.15Å; P721-Q724 HydrophobicContact CG-CG 4.43Å; P721-Q724 WeakPolarHBondContact O-CB 3.37Å; P721-Q724 PolarHBondContact O-N 2.85Å; P721-H725 PolarHBondContact O-N 3.15Å
722	E	86.1	Confident	88	Confident	165 Å²	165	56.3 Å²	56.3	77%	0.771	31%	0.308	S	S	*	.	H	α-helix	trans	-60.7	-34.5	-173.9	-170.2	175.5	-173.2	0	0	112.7	H725 A726	E722-H725 PolarHBondContact O-N 3.11Å; E722-A726 VanDerWaalsContact O-CB 3.3Å; E722-A726 WeakPolarHBondContact O-CB 3.47Å; E722-A726 PolarHBondContact O-N 2.97Å
723	D	85.1	Confident	87.9	Confident	114 Å²	114	57.9 Å²	57.9	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-63	-41.3	173.8	59.7	-45.3	0	0	0	112.3	P721 L727	P721-D723 VanDerWaalsContact C-N 3.27Å; P721-D723 WeakPolarHBondContact CB-OD1 3.47Å; P721-D723 PolarHBondContact O-N 3.07Å; D723-L727 WeakPolarHBondContact O-CB 3.35Å; D723-L727 PolarHBondContact O-N 3.32Å; D723-L727 VanDerWaalsContact O-N 3.16Å
724	Q	86.8	Confident	87.8	Confident	52 Å²	52	58.3 Å²	58.3	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-71.6	-40.3	177.3	-59.7	-175.4	4.6	0	0	111.5	I720 P721 L727 L728 L781	I720-Q724 HydrophobicContact CD1-CB 4.23Å; I720-Q724 HydrophobicContact CG1-CB 4.48Å; P721-Q724 HydrophobicContact CB-CG 4.15Å; P721-Q724 HydrophobicContact CG-CG 4.43Å; P721-Q724 WeakPolarHBondContact O-CB 3.37Å; P721-Q724 PolarHBondContact O-N 2.85Å; Q724-L727 PolarHBondContact O-N 3.39Å; Q724-L728 WeakPolarHBondContact O-CG 3.46Å; Q724-L728 PolarHBondContact O-N 3.45Å; Q724-L781 HydrophobicContact CB-CD2 4.04Å; Q724-L781 HydrophobicContact CG-CD2 3.75Å
725	H	90.4	Very high	87.7	Confident	27 Å²	27	55.5 Å²	55.5	13%	0.125	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-44.9	176	-179.4	-102	0	0	0	111.7	I713 N717 I720 P721 E722 L727 L728 V729	I713-H725 PolarHBondContact O-NE2 2.78Å; N717-H725 WeakPolarHBondContact CB-NE2 3.36Å; N717-H725 VanDerWaalsContact CG-CE1 3.47Å; N717-H725 PolarHBondContact OD1-CE1 3.04Å; N717-H725 VanDerWaalsContact OD1-CE1 3.28Å; N717-H725 PolarHBondContact OD1-ND1 2.84Å; N717-H725 VanDerWaalsContact OD1-ND1 3.11Å; I720-H725 HydrophobicContact CD1-CB 3.91Å; I720-H725 HydrophobicContact CG1-CB 3.93Å; P721-H725 PolarHBondContact O-N 3.15Å; E722-H725 PolarHBondContact O-N 3.11Å; H725-L727 VanDerWaalsContact C-N 3.27Å; H725-L727 PolarHBondContact O-N 3.35Å; H725-L728 PolarHBondContact O-N 2.69Å; H725-L728 VanDerWaalsContact O-N 3.17Å; H725-V729 WeakPolarHBondContact O-CG2 3.38Å; H725-V729 PolarHBondContact O-N 3.07Å
726	A	88.9	Confident	87.6	Confident	57 Å²	57	56.8 Å²	56.8	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-39.4	176.2	0	0	0	0	0	112.1	E722 V729 K730	E722-A726 VanDerWaalsContact O-CB 3.3Å; E722-A726 WeakPolarHBondContact O-CB 3.47Å; E722-A726 PolarHBondContact O-N 2.97Å; A726-V729 PolarHBondContact O-N 2.9Å; A726-K730 WeakPolarHBondContact O-CB 3.37Å; A726-K730 PolarHBondContact O-N 3.37Å
727	L	88.8	Confident	87.5	Confident	42 Å²	42	63 Å²	63	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-43.7	175.7	-173.4	64.8	0	0	0	112.1	D723 Q724 H725 K730 Y731 L774 I778 L781	D723-L727 WeakPolarHBondContact O-CB 3.35Å; D723-L727 PolarHBondContact O-N 3.32Å; D723-L727 VanDerWaalsContact O-N 3.16Å; Q724-L727 PolarHBondContact O-N 3.39Å; H725-L727 VanDerWaalsContact C-N 3.27Å; H725-L727 PolarHBondContact O-N 3.35Å; L727-K730 PolarHBondContact O-N 3Å; L727-Y731 WeakPolarHBondContact O-CB 3.32Å; L727-Y731 PolarHBondContact O-N 3.4Å; L727-L774 HydrophobicContact CD1-CD2 4.18Å; L727-I778 HydrophobicContact CD2-CD1 4.13Å; L727-I778 HydrophobicContact CG-CD1 3.78Å; L727-L781 HydrophobicContact CD2-CD1 4.22Å; L727-L781 HydrophobicContact CD2-CD2 4.2Å; L727-L781 HydrophobicContact CD2-CG 4.35Å
728	L	89.6	Confident	87.3	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-42.6	176.3	-72.2	166.9	0	0	0	112.4	L686 T689 L693 I713 I720 Q724 H725 Y731 Q732 I778 L781	L686-L728 HydrophobicContact CD1-CD2 4.12Å; T689-L728 HydrophobicContact CG2-CD2 4.03Å; L693-L728 HydrophobicContact CD1-CD1 3.56Å; L693-L728 HydrophobicContact CD1-CD2 4.29Å; L693-L728 HydrophobicContact CD1-CG 4.46Å; I713-L728 HydrophobicContact CG2-CB 4.2Å; I720-L728 HydrophobicContact CD1-CD1 3.51Å; Q724-L728 WeakPolarHBondContact O-CG 3.46Å; Q724-L728 PolarHBondContact O-N 3.45Å; H725-L728 PolarHBondContact O-N 2.69Å; H725-L728 VanDerWaalsContact O-N 3.17Å; L728-Y731 PolarHBondContact O-N 3.18Å; L728-Q732 VanDerWaalsContact O-CB 3.28Å; L728-Q732 WeakPolarHBondContact O-CB 3.25Å; L728-Q732 PolarHBondContact O-N 3.3Å; L728-I778 HydrophobicContact CD2-CD1 4.15Å; L728-L781 HydrophobicContact CD2-CD1 3.99Å; L728-L781 HydrophobicContact CG-CD1 4.03Å
729	V	90.8	Very high	87.4	Confident	66 Å²	66	59.3 Å²	59.3	40%	0.4	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-42.3	177.7	173.3	0	0	0	0	110.9	I713 H725 A726 Y731 Q732 G733	I713-V729 HydrophobicContact CG2-CG2 3.98Å; H725-V729 WeakPolarHBondContact O-CG2 3.38Å; H725-V729 PolarHBondContact O-N 3.07Å; A726-V729 PolarHBondContact O-N 2.9Å; V729-Y731 VanDerWaalsContact C-N 3.35Å; V729-Y731 PolarHBondContact O-N 3.19Å; V729-Q732 PolarHBondContact O-N 3.23Å; V729-G733 PolarHBondContact O-N 3.44Å
730	K	89.6	Confident	87.4	Confident	117 Å²	117	57.2 Å²	57.2	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-58.8	-48.2	174.3	-176.8	-178.8	178.3	-175.6	0	110.7	A726 L727 G733 L734 L774	A726-K730 WeakPolarHBondContact O-CB 3.37Å; A726-K730 PolarHBondContact O-N 3.37Å; L727-K730 PolarHBondContact O-N 3Å; K730-G733 PolarHBondContact O-N 3.09Å; K730-L734 PolarHBondContact O-N 2.86Å; K730-L774 HydrophobicContact CD-CD1 4.34Å
731	Y	89.9	Confident	86.8	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-40.9	-179.4	-165.2	-94.8	0	0	0	112.3	P682 L686 L727 L728 V729 G733 L734 V735 L771 L774 S775 I778	P682-Y731 VanDerWaalsContact CA-OH 3.3Å; P682-Y731 WeakPolarHBondContact CA-OH 3.29Å; P682-Y731 WeakPolarHBondContact CB-OH 3.47Å; P682-Y731 WeakPolarHBondContact O-CE1 3.49Å; P682-Y731 PolarHBondContact O-OH 3.46Å; L686-Y731 HydrophobicContact CB-CD1 3.94Å; L686-Y731 HydrophobicContact CB-CE1 3.86Å; L686-Y731 HydrophobicContact CD1-CD1 3.91Å; L686-Y731 HydrophobicContact CD2-CD1 4.31Å; L686-Y731 HydrophobicContact CG-CD1 4.25Å; L727-Y731 WeakPolarHBondContact O-CB 3.32Å; L727-Y731 PolarHBondContact O-N 3.4Å; L728-Y731 PolarHBondContact O-N 3.18Å; V729-Y731 VanDerWaalsContact C-N 3.35Å; V729-Y731 PolarHBondContact O-N 3.19Å; Y731-G733 VanDerWaalsContact C-N 3.31Å; Y731-G733 PolarHBondContact O-N 2.99Å; Y731-L734 PolarHBondContact O-N 2.94Å; Y731-V735 HydrophobicContact CD1-CG2 3.8Å; Y731-V735 HydrophobicContact CE1-CG2 3.66Å; Y731-V735 WeakPolarHBondContact O-CG2 3.17Å; Y731-V735 PolarHBondContact O-N 3.3Å; Y731-L771 HydrophobicContact CD1-CD2 4.46Å; Y731-L771 HydrophobicContact CD2-CD2 3.8Å; Y731-L771 HydrophobicContact CE1-CD2 4.26Å; Y731-L771 HydrophobicContact CE2-CD2 3.54Å; Y731-L771 HydrophobicContact CG-CD2 4.29Å; Y731-L774 HydrophobicContact CD2-CB 3.74Å; Y731-L774 HydrophobicContact CD2-CD1 4.45Å; Y731-L774 HydrophobicContact CE2-CB 3.96Å; Y731-S775 PolarHBondContact OH-OG 3.24Å; Y731-I778 HydrophobicContact CD1-CD1 4.42Å; Y731-I778 HydrophobicContact CD1-CG1 4.16Å; Y731-I778 HydrophobicContact CD2-CD1 4.2Å; Y731-I778 HydrophobicContact CD2-CG1 3.58Å; Y731-I778 HydrophobicContact CE1-CG1 4.46Å; Y731-I778 HydrophobicContact CE2-CG1 3.94Å; Y731-I778 HydrophobicContact CG-CD1 3.87Å; Y731-I778 HydrophobicContact CG-CG1 3.67Å
732	Q	90.3	Very high	86	Confident	40 Å²	40	59.9 Å²	59.9	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-56	-45.5	171.6	-178.9	-164	-21.3	0	0	111.5	L686 I713 L728 V729 L734 V735 V736	L686-Q732 HydrophobicContact CD2-CB 3.93Å; L686-Q732 HydrophobicContact CD2-CG 4.26Å; I713-Q732 HydrophobicContact CD1-CB 4Å; I713-Q732 HydrophobicContact CD1-CG 4.15Å; L728-Q732 VanDerWaalsContact O-CB 3.28Å; L728-Q732 WeakPolarHBondContact O-CB 3.25Å; L728-Q732 PolarHBondContact O-N 3.3Å; V729-Q732 PolarHBondContact O-N 3.23Å; Q732-L734 VanDerWaalsContact C-N 3.31Å; Q732-L734 PolarHBondContact O-N 3.02Å; Q732-V735 PolarHBondContact O-N 3.03Å; Q732-V736 HydrophobicContact CG-CG2 4.4Å; Q732-V736 WeakPolarHBondContact O-CB 3.49Å; Q732-V736 VanDerWaalsContact O-CG2 3.29Å; Q732-V736 WeakPolarHBondContact O-CG2 3.43Å; Q732-V736 PolarHBondContact O-N 3.35Å
733	G	87.7	Confident	85	Confident	34 Å²	34	57.9 Å²	57.9	35%	0.351	32%	0.315	S	S	.	.	H	α-helix	trans	-58.4	-42.6	177.4	0	0	0	0	0	112.6	V729 K730 Y731 K737	V729-G733 PolarHBondContact O-N 3.44Å; K730-G733 PolarHBondContact O-N 3.09Å; Y731-G733 VanDerWaalsContact C-N 3.31Å; Y731-G733 PolarHBondContact O-N 2.99Å; G733-K737 VanDerWaalsContact O-CG 3.32Å; G733-K737 WeakPolarHBondContact O-CG 3.16Å; G733-K737 PolarHBondContact O-N 3.44Å
734	L	86.7	Confident	84	Confident	12 Å²	12	58.6 Å²	58.6	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-42.1	177	-65.2	174.5	0	0	0	112.4	K730 Y731 Q732 V736 K737 Q738 T767 E770 L771 L774	K730-L734 PolarHBondContact O-N 2.86Å; Y731-L734 PolarHBondContact O-N 2.94Å; Q732-L734 VanDerWaalsContact C-N 3.31Å; Q732-L734 PolarHBondContact O-N 3.02Å; L734-V736 PolarHBondContact O-N 3.07Å; L734-K737 WeakPolarHBondContact O-CB 3.5Å; L734-K737 PolarHBondContact O-N 3.03Å; L734-Q738 PolarHBondContact O-N 3.3Å; L734-T767 HydrophobicContact CB-CG2 4.33Å; L734-T767 HydrophobicContact CD2-CG2 4.11Å; L734-E770 HydrophobicContact CD1-CB 4.11Å; L734-L771 HydrophobicContact CB-CD1 4.23Å; L734-L771 HydrophobicContact CB-CD2 3.46Å; L734-L771 VanDerWaalsContact CB-CD2 3.46Å; L734-L771 HydrophobicContact CB-CG 3.76Å; L734-L771 HydrophobicContact CD1-CD2 4.22Å; L734-L771 HydrophobicContact CD1-CG 4.39Å; L734-L774 HydrophobicContact CD1-CD1 3.75Å
735	V	87.3	Confident	82.5	Confident	7 Å²	7	63 Å²	63	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-43.5	176	171	0	0	0	0	110.9	P682 A683 L686 Y731 Q732 Q738 L739 L771	P682-V735 HydrophobicContact CB-CG2 4.22Å; A683-V735 HydrophobicContact CB-CG1 3.89Å; L686-V735 HydrophobicContact CD2-CB 4.21Å; L686-V735 HydrophobicContact CD2-CG1 4.39Å; L686-V735 HydrophobicContact CD2-CG2 4.14Å; Y731-V735 HydrophobicContact CD1-CG2 3.8Å; Y731-V735 HydrophobicContact CE1-CG2 3.66Å; Y731-V735 WeakPolarHBondContact O-CG2 3.17Å; Y731-V735 PolarHBondContact O-N 3.3Å; Q732-V735 PolarHBondContact O-N 3.03Å; V735-Q738 PolarHBondContact O-N 2.93Å; V735-L739 HydrophobicContact CG1-CD1 3.93Å; V735-L739 HydrophobicContact CG1-CG 4.38Å; V735-L739 WeakPolarHBondContact O-CG 3.35Å; V735-L739 PolarHBondContact O-N 2.89Å; V735-L771 HydrophobicContact CG2-CD2 3.8Å
736	V	86.9	Confident	80.5	Confident	69 Å²	69	67.3 Å²	67.3	42%	0.418	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-43.2	176.6	172.5	0	0	0	0	110.8	Q732 L734 Q738 L739 V740	Q732-V736 HydrophobicContact CG-CG2 4.4Å; Q732-V736 WeakPolarHBondContact O-CB 3.49Å; Q732-V736 VanDerWaalsContact O-CG2 3.29Å; Q732-V736 WeakPolarHBondContact O-CG2 3.43Å; Q732-V736 PolarHBondContact O-N 3.35Å; L734-V736 PolarHBondContact O-N 3.07Å; V736-Q738 VanDerWaalsContact C-N 3.31Å; V736-Q738 PolarHBondContact O-N 3.35Å; V736-L739 PolarHBondContact O-N 3.36Å; V736-V740 HydrophobicContact CG1-CG2 4.18Å; V736-V740 WeakPolarHBondContact O-CB 3.29Å; V736-V740 VanDerWaalsContact O-CG2 3.28Å; V736-V740 WeakPolarHBondContact O-CG2 3.21Å; V736-V740 PolarHBondContact O-N 3.05Å
737	K	85.1	Confident	78.5	Confident	131 Å²	131	67.7 Å²	67.7	57%	0.57	37%	0.37	S	S	*	.	H	α-helix	trans	-57.6	-43.3	173.7	-77.2	177.4	-179.9	-174.6	0	111.7	G733 L734 S741 T767	G733-K737 VanDerWaalsContact O-CG 3.32Å; G733-K737 WeakPolarHBondContact O-CG 3.16Å; G733-K737 PolarHBondContact O-N 3.44Å; L734-K737 WeakPolarHBondContact O-CB 3.5Å; L734-K737 PolarHBondContact O-N 3.03Å; K737-S741 WeakPolarHBondContact O-CB 3.34Å; K737-S741 PolarHBondContact O-N 2.89Å; K737-S741 VanDerWaalsContact O-N 3.08Å; K737-S741 PolarHBondContact O-OG 3.13Å; K737-T767 HydrophobicContact CB-CG2 4.34Å
738	Q	83.4	Confident	76.3	Confident	26 Å²	26	73.8 Å²	73.8	12%	0.121	40%	0.397	C	S	.	.	H	α-helix	trans	-63.6	-47.3	177.2	-173.5	-176.5	-1.6	0	0	111.9	L734 V735 V736 S741 Q742 L771	L734-Q738 PolarHBondContact O-N 3.3Å; V735-Q738 PolarHBondContact O-N 2.93Å; V736-Q738 VanDerWaalsContact C-N 3.31Å; V736-Q738 PolarHBondContact O-N 3.35Å; Q738-S741 PolarHBondContact O-N 2.89Å; Q738-Q742 WeakPolarHBondContact O-CG 3.5Å; Q738-Q742 PolarHBondContact O-N 2.79Å; Q738-L771 HydrophobicContact CB-CD1 4.14Å
739	L	82.9	Confident	73.9	Confident	78 Å²	78	77.3 Å²	77.3	41%	0.408	43%	0.433	S	S	.	.	H	α-helix	trans	-66.2	-40.4	-178.8	-70.5	173	0	0	0	112.7	V735 V736 S741 Q742 N743	V735-L739 HydrophobicContact CG1-CD1 3.93Å; V735-L739 HydrophobicContact CG1-CG 4.38Å; V735-L739 WeakPolarHBondContact O-CG 3.35Å; V735-L739 PolarHBondContact O-N 2.89Å; V736-L739 PolarHBondContact O-N 3.36Å; L739-S741 VanDerWaalsContact C-N 3.34Å; L739-Q742 PolarHBondContact O-N 3.42Å; L739-N743 PolarHBondContact O-N 3.48Å
740	V	83	Confident	71.6	Confident	75 Å²	75	81.6 Å²	81.6	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-65.2	-39.5	175.9	172.9	0	0	0	0	110.9	V736 Q742 N743 K744	V736-V740 HydrophobicContact CG1-CG2 4.18Å; V736-V740 WeakPolarHBondContact O-CB 3.29Å; V736-V740 VanDerWaalsContact O-CG2 3.28Å; V736-V740 WeakPolarHBondContact O-CG2 3.21Å; V736-V740 PolarHBondContact O-N 3.05Å; V740-Q742 VanDerWaalsContact C-N 3.35Å; V740-N743 PolarHBondContact O-N 3.32Å; V740-K744 PolarHBondContact O-N 3.33Å; V740-K744 VanDerWaalsContact O-N 3.12Å
741	S	75.8	Confident	69	Low	40 Å²	40	87 Å²	87	28%	0.28	47%	0.473	S	S	.	.	H	α-helix	trans	-67.5	-34.3	177.3	-55.6	0	0	0	0	112.5	K737 Q738 L739	K737-S741 WeakPolarHBondContact O-CB 3.34Å; K737-S741 PolarHBondContact O-N 2.89Å; K737-S741 VanDerWaalsContact O-N 3.08Å; K737-S741 PolarHBondContact O-OG 3.13Å; Q738-S741 PolarHBondContact O-N 2.89Å; L739-S741 VanDerWaalsContact C-N 3.34Å
742	Q	70.1	Confident	66.9	Low	106 Å²	106	92.4 Å²	92.4	50%	0.495	51%	0.507	S	S	.	.	H	α-helix	trans	-70.4	-40.3	174.4	-75.1	-178.4	-5.6	0	0	112.4	Q738 L739 V740 K744 K745 T746	Q738-Q742 WeakPolarHBondContact O-CG 3.5Å; Q738-Q742 PolarHBondContact O-N 2.79Å; L739-Q742 PolarHBondContact O-N 3.42Å; V740-Q742 VanDerWaalsContact C-N 3.35Å; Q742-K744 PolarHBondContact O-N 3.46Å; Q742-K745 PolarHBondContact O-N 2.83Å; Q742-T746 PolarHBondContact O-OG1 2.94Å
743	N	66.9	Low	64.4	Low	123 Å²	123	97.7 Å²	97.7	66%	0.658	54%	0.536	S	S	*	.	H	α-helix	trans	-69	-28.2	176.8	-85.1	-11.3	0	0	0	113.9	L739 V740 T746	L739-N743 PolarHBondContact O-N 3.48Å; V740-N743 PolarHBondContact O-N 3.32Å; N743-T746 PolarHBondContact O-OG1 2.89Å
744	K	62.3	Low	62.2	Low	129 Å²	129	102.4 Å²	102.4	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-67.9	-36	174	-77.9	-177	175.8	-174.5	0	112.4	V740 Q742 T746 G747	V740-K744 PolarHBondContact O-N 3.33Å; V740-K744 VanDerWaalsContact O-N 3.12Å; Q742-K744 PolarHBondContact O-N 3.46Å; K744-T746 VanDerWaalsContact C-N 3.33Å; K744-T746 PolarHBondContact O-N 3.37Å; K744-G747 PolarHBondContact O-N 3.49Å
745	K	55.9	Low	60.2	Low	143 Å²	143	109.2 Å²	109.2	62%	0.622	59%	0.59	S	S	*	*	H	α-helix	trans	-69.6	-24.9	178.6	-75.4	-174.5	176.2	-176.3	0	114	Q742	Q742-K745 PolarHBondContact O-N 2.83Å
746	T	47.8	Very low	58.3	Low	118 Å²	118	116 Å²	116	72%	0.724	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-7.6	177.7	28.8	0	0	0	0	114.1	Q742 N743 K744	Q742-T746 PolarHBondContact O-OG1 2.94Å; N743-T746 PolarHBondContact O-OG1 2.89Å; K744-T746 VanDerWaalsContact C-N 3.33Å; K744-T746 PolarHBondContact O-N 3.37Å
747	G	47.6	Very low	56.5	Low	66 Å²	66	117.7 Å²	117.7	68%	0.68	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-6.5	-171.9	0	0	0	0	0	117.5	K744	K744-G747 PolarHBondContact O-N 3.49Å
748	Q	42.7	Very low	55	Low	170 Å²	170	113.8 Å²	113.8	79%	0.794	62%	0.624	S	S	*	*			trans	-114.5	111.8	-179.8	-85.9	178	-17.2	0	0	111.2
749	G	39.5	Very low	53.6	Low	73 Å²	73	119.8 Å²	119.8	75%	0.753	65%	0.65	S	S	*	*			trans	-68.8	143.9	169.3	0	0	0	0	0	111.8	Y751	G749-Y751 PolarHBondContact O-N 3.44Å
750	D	41.8	Very low	52.3	Low	157 Å²	157	121 Å²	121	84%	0.84	65%	0.653	S	S	*	*	S	Bend	trans	-41.9	110.6	-178	-77.7	-36.5	0	0	0	114.6
751	Y	35.4	Very low	51.2	Low	230 Å²	230	122.9 Å²	122.9	90%	0.902	66%	0.657	S	S	*	*			trans	-150.4	141.2	143.7	-82.3	-72.2	0	0	0	110.5	G749	G749-Y751 PolarHBondContact O-N 3.44Å
752	P	46.6	Very low	50.6	Low	113 Å²	113	126.9 Å²	126.9	73%	0.734	67%	0.672	S	S	*	*			trans	-98.9	126.5	-166.1	34.8	-27.4	0	0	0	112.8
753	L	37	Very low	50.5	Low	152 Å²	152	126.7 Å²	126.7	80%	0.796	67%	0.674	S	S	*	*			trans	-149.3	113.3	157.8	-107	121	0	0	0	112.5
754	N	40.9	Very low	50.6	Low	132 Å²	132	123 Å²	123	71%	0.706	66%	0.656	S	S	*	*			trans	46.8	124.3	146.8	-71.1	-12.1	0	0	0	123.3	E756	N754-E756 PolarHBondContact O-N 2.85Å
755	N	44.6	Very low	51.1	Low	155 Å²	155	119.1 Å²	119.1	83%	0.829	65%	0.648	S	S	*	*	S	Bend	trans	50	-13.9	148.6	-89.1	-0.3	0	0	0	122
756	E	47.3	Very low	52.2	Low	150 Å²	150	115.6 Å²	115.6	70%	0.701	64%	0.636	S	S	*	*	H	α-helix	trans	-85.8	-27.1	175.4	-67.3	-170	158.3	0	0	112.3	N754 G758 K759 E760	N754-E756 PolarHBondContact O-N 2.85Å; E756-G758 VanDerWaalsContact C-N 3.29Å; E756-G758 PolarHBondContact O-N 3.42Å; E756-K759 PolarHBondContact O-N 2.84Å; E756-E760 PolarHBondContact O-N 3.49Å
757	L	50.9	Low	53.8	Low	105 Å²	105	111 Å²	111	55%	0.55	61%	0.608	S	S	.	*	H	α-helix	trans	-61	-31.6	177.5	-80.2	157.4	0	0	0	114	Q761	L757-Q761 WeakPolarHBondContact O-CB 3.47Å; L757-Q761 VanDerWaalsContact O-CG 3.26Å; L757-Q761 WeakPolarHBondContact O-CG 3.48Å; L757-Q761 PolarHBondContact O-N 2.81Å
758	G	52.4	Low	55.2	Low	48 Å²	48	115.2 Å²	115.2	50%	0.495	60%	0.603	S	S	.	*	H	α-helix	trans	-69.6	-43.8	178.7	0	0	0	0	0	112.3	E756 E762	E756-G758 VanDerWaalsContact C-N 3.29Å; E756-G758 PolarHBondContact O-N 3.42Å; G758-E762 WeakPolarHBondContact O-CB 3.29Å; G758-E762 PolarHBondContact O-N 3.33Å
759	K	54.5	Low	57.1	Low	152 Å²	152	113 Å²	113	66%	0.661	59%	0.591	S	S	*	*	H	α-helix	trans	-69.1	-41.1	175.1	-72.1	-176.4	177.6	179.5	0	111.7	E756 Q761 E762 D763	E756-K759 PolarHBondContact O-N 2.84Å; K759-Q761 PolarHBondContact O-N 3.19Å; K759-E762 PolarHBondContact O-N 2.82Å; K759-D763 WeakPolarHBondContact O-CB 3.34Å; K759-D763 PolarHBondContact O-N 3.45Å
760	E	56.5	Low	59.2	Low	103 Å²	103	113.6 Å²	113.6	48%	0.481	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-36.6	176.9	-73.3	-168.1	151.9	0	0	112.7	E756 V764	E756-E760 PolarHBondContact O-N 3.49Å; E760-V764 WeakPolarHBondContact O-CB 3.37Å; E760-V764 WeakPolarHBondContact O-CG2 3.33Å; E760-V764 PolarHBondContact O-N 3.19Å
761	Q	58.7	Low	61.3	Low	115 Å²	115	106.1 Å²	106.1	54%	0.537	53%	0.534	S	S	.	.	H	α-helix	trans	-69.9	-38	174.5	-77.4	-178.3	8.3	0	0	112.6	L757 K759 V764 A765	L757-Q761 WeakPolarHBondContact O-CB 3.47Å; L757-Q761 VanDerWaalsContact O-CG 3.26Å; L757-Q761 WeakPolarHBondContact O-CG 3.48Å; L757-Q761 PolarHBondContact O-N 2.81Å; K759-Q761 PolarHBondContact O-N 3.19Å; Q761-V764 PolarHBondContact O-N 3.43Å; Q761-A765 WeakPolarHBondContact O-CB 3.4Å; Q761-A765 PolarHBondContact O-N 3.36Å
762	E	62.4	Low	63.5	Low	125 Å²	125	101 Å²	101	58%	0.584	52%	0.518	S	S	*	.	H	α-helix	trans	-67.9	-40.9	175.9	-161	169.6	-161.2	0	0	111.4	G758 K759 A765 N766	G758-E762 WeakPolarHBondContact O-CB 3.29Å; G758-E762 PolarHBondContact O-N 3.33Å; K759-E762 PolarHBondContact O-N 2.82Å; E762-A765 PolarHBondContact O-N 2.81Å; E762-N766 WeakPolarHBondContact O-CB 3.31Å; E762-N766 VanDerWaalsContact O-CG 3.25Å; E762-N766 PolarHBondContact O-N 3.16Å; E762-N766 PolarHBondContact O-ND2 2.84Å
763	D	68.2	Low	65.4	Low	101 Å²	101	102.2 Å²	102.2	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-38.8	173.9	-80.5	-20.6	0	0	0	112.3	K759 T767	K759-D763 WeakPolarHBondContact O-CB 3.34Å; K759-D763 PolarHBondContact O-N 3.45Å; D763-T767 VanDerWaalsContact O-CB 3.3Å; D763-T767 WeakPolarHBondContact O-CB 3.34Å; D763-T767 PolarHBondContact O-N 3.47Å; D763-T767 PolarHBondContact O-OG1 3.38Å
764	V	70.1	Confident	67.8	Low	47 Å²	47	96.3 Å²	96.3	29%	0.285	48%	0.483	S	S	.	.	H	α-helix	trans	-68.4	-38.3	174.7	170.6	0	0	0	0	111.3	E760 Q761 R768	E760-V764 WeakPolarHBondContact O-CB 3.37Å; E760-V764 WeakPolarHBondContact O-CG2 3.33Å; E760-V764 PolarHBondContact O-N 3.19Å; Q761-V764 PolarHBondContact O-N 3.43Å; V764-R768 WeakPolarHBondContact O-CB 3.32Å; V764-R768 PolarHBondContact O-N 2.94Å
765	A	72.1	Confident	70.1	Confident	47 Å²	47	90.7 Å²	90.7	39%	0.388	45%	0.454	S	S	.	.	H	α-helix	trans	-66.9	-41.8	175.6	0	0	0	0	0	111.8	Q761 E762 R768 K769	Q761-A765 WeakPolarHBondContact O-CB 3.4Å; Q761-A765 PolarHBondContact O-N 3.36Å; E762-A765 PolarHBondContact O-N 2.81Å; A765-R768 PolarHBondContact O-N 3.17Å; A765-K769 WeakPolarHBondContact O-CG 3.29Å; A765-K769 PolarHBondContact O-N 2.92Å
766	N	79.3	Confident	72	Confident	69 Å²	69	86.5 Å²	86.5	37%	0.369	44%	0.437	S	S	.	.	H	α-helix	trans	-65.8	-43.7	175.2	-72.1	-19.4	0	0	0	111.5	E762 R768 K769 E770	E762-N766 WeakPolarHBondContact O-CB 3.31Å; E762-N766 VanDerWaalsContact O-CG 3.25Å; E762-N766 PolarHBondContact O-N 3.16Å; E762-N766 PolarHBondContact O-ND2 2.84Å; N766-R768 VanDerWaalsContact C-N 3.28Å; N766-R768 PolarHBondContact O-N 3.16Å; N766-K769 PolarHBondContact O-N 3.42Å; N766-E770 PolarHBondContact O-N 3.31Å
767	T	80.5	Confident	73.9	Confident	22 Å²	22	81.9 Å²	81.9	14%	0.135	42%	0.421	C	S	.	.	H	α-helix	trans	-58.3	-40.2	174.5	-57.1	0	0	0	0	111.4	L734 K737 D763 L771	L734-T767 HydrophobicContact CB-CG2 4.33Å; L734-T767 HydrophobicContact CD2-CG2 4.11Å; K737-T767 HydrophobicContact CB-CG2 4.34Å; D763-T767 VanDerWaalsContact O-CB 3.3Å; D763-T767 WeakPolarHBondContact O-CB 3.34Å; D763-T767 PolarHBondContact O-N 3.47Å; D763-T767 PolarHBondContact O-OG1 3.38Å; T767-L771 HydrophobicContact CG2-CD1 4.19Å; T767-L771 WeakPolarHBondContact O-CB 3.37Å; T767-L771 VanDerWaalsContact O-CG 3.26Å; T767-L771 WeakPolarHBondContact O-CG 3.43Å; T767-L771 PolarHBondContact O-N 2.86Å
768	R	78.1	Confident	75.7	Confident	153 Å²	153	76.9 Å²	76.9	58%	0.577	40%	0.395	S	S	*	.	H	α-helix	trans	-68.8	-39.1	177.9	-169.9	176.4	-178.1	167.4	1.3	112.6	V764 A765 N766 L771 Q772	V764-R768 WeakPolarHBondContact O-CB 3.32Å; V764-R768 PolarHBondContact O-N 2.94Å; A765-R768 PolarHBondContact O-N 3.17Å; N766-R768 VanDerWaalsContact C-N 3.28Å; N766-R768 PolarHBondContact O-N 3.16Å; R768-L771 PolarHBondContact O-N 3.18Å; R768-Q772 WeakPolarHBondContact O-CG 3.45Å; R768-Q772 PolarHBondContact O-N 2.74Å
769	K	81.5	Confident	77.5	Confident	125 Å²	125	76.2 Å²	76.2	54%	0.543	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-48.2	174.7	-74	177.6	-179.9	177.2	0	111.3	A765 N766 L771 Q772 E773	A765-K769 WeakPolarHBondContact O-CG 3.29Å; A765-K769 PolarHBondContact O-N 2.92Å; N766-K769 PolarHBondContact O-N 3.42Å; K769-L771 VanDerWaalsContact C-N 3.29Å; K769-L771 PolarHBondContact O-N 3.49Å; K769-Q772 PolarHBondContact O-N 3.34Å; K769-Q772 VanDerWaalsContact O-N 3.11Å; K769-E773 WeakPolarHBondContact O-CG 3.19Å; K769-E773 PolarHBondContact O-N 2.95Å
770	E	84.7	Confident	79	Confident	84 Å²	84	71.6 Å²	71.6	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-59.6	-39.4	176.3	-74	-173.7	-159.5	0	0	112.2	L734 N766 E773 L774	L734-E770 HydrophobicContact CD1-CB 4.11Å; N766-E770 PolarHBondContact O-N 3.31Å; E770-E773 PolarHBondContact O-N 3.36Å; E770-L774 WeakPolarHBondContact O-CB 3.42Å; E770-L774 VanDerWaalsContact O-CG 3.28Å; E770-L774 WeakPolarHBondContact O-CG 3.19Å; E770-L774 PolarHBondContact O-N 3.34Å
771	L	86.3	Confident	80.4	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-40	175	-78.7	170.3	0	0	0	112.5	P682 Y731 L734 V735 Q738 T767 R768 K769 S775	P682-L771 HydrophobicContact CB-CB 4.33Å; P682-L771 HydrophobicContact CB-CD1 4.24Å; P682-L771 HydrophobicContact CB-CD2 4.26Å; P682-L771 HydrophobicContact CG-CB 4.22Å; P682-L771 HydrophobicContact CG-CD1 4.47Å; Y731-L771 HydrophobicContact CD1-CD2 4.46Å; Y731-L771 HydrophobicContact CD2-CD2 3.8Å; Y731-L771 HydrophobicContact CE1-CD2 4.26Å; Y731-L771 HydrophobicContact CE2-CD2 3.54Å; Y731-L771 HydrophobicContact CG-CD2 4.29Å; L734-L771 HydrophobicContact CB-CD1 4.23Å; L734-L771 HydrophobicContact CB-CD2 3.46Å; L734-L771 VanDerWaalsContact CB-CD2 3.46Å; L734-L771 HydrophobicContact CB-CG 3.76Å; L734-L771 HydrophobicContact CD1-CD2 4.22Å; L734-L771 HydrophobicContact CD1-CG 4.39Å; V735-L771 HydrophobicContact CG2-CD2 3.8Å; Q738-L771 HydrophobicContact CB-CD1 4.14Å; T767-L771 HydrophobicContact CG2-CD1 4.19Å; T767-L771 WeakPolarHBondContact O-CB 3.37Å; T767-L771 VanDerWaalsContact O-CG 3.26Å; T767-L771 WeakPolarHBondContact O-CG 3.43Å; T767-L771 PolarHBondContact O-N 2.86Å; R768-L771 PolarHBondContact O-N 3.18Å; K769-L771 VanDerWaalsContact C-N 3.29Å; K769-L771 PolarHBondContact O-N 3.49Å; L771-S775 WeakPolarHBondContact O-CB 3.08Å; L771-S775 PolarHBondContact O-N 2.98Å; L771-S775 PolarHBondContact O-OG 2.98Å
772	Q	82.1	Confident	81.6	Confident	122 Å²	122	62.9 Å²	62.9	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-66.3	-41.8	177.2	-76.3	176.9	-25.7	0	0	112.1	R768 K769 S775	R768-Q772 WeakPolarHBondContact O-CG 3.45Å; R768-Q772 PolarHBondContact O-N 2.74Å; K769-Q772 PolarHBondContact O-N 3.34Å; K769-Q772 VanDerWaalsContact O-N 3.11Å; Q772-S775 WeakPolarHBondContact O-CB 2.91Å; Q772-S775 PolarHBondContact O-N 3.48Å
773	E	85.2	Confident	82.6	Confident	140 Å²	140	59.8 Å²	59.8	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-63.1	-47.9	176.5	-70.7	175.6	-176.1	0	0	111.3	K769 E770 S775 S776	K769-E773 WeakPolarHBondContact O-CG 3.19Å; K769-E773 PolarHBondContact O-N 2.95Å; E770-E773 PolarHBondContact O-N 3.36Å; E773-S775 VanDerWaalsContact C-N 3.33Å; E773-S775 PolarHBondContact O-N 2.9Å; E773-S776 PolarHBondContact O-OG 2.92Å
774	L	88.3	Confident	82.8	Confident	28 Å²	28	61.9 Å²	61.9	15%	0.147	31%	0.313	C	S	.	.	H	α-helix	trans	-73.5	-21.6	-179.1	-65.8	174.8	0	0	0	113.5	L727 K730 Y731 L734 E770 S776 S777 I778	L727-L774 HydrophobicContact CD1-CD2 4.18Å; K730-L774 HydrophobicContact CD-CD1 4.34Å; Y731-L774 HydrophobicContact CD2-CB 3.74Å; Y731-L774 HydrophobicContact CD2-CD1 4.45Å; Y731-L774 HydrophobicContact CE2-CB 3.96Å; L734-L774 HydrophobicContact CD1-CD1 3.75Å; E770-L774 WeakPolarHBondContact O-CB 3.42Å; E770-L774 VanDerWaalsContact O-CG 3.28Å; E770-L774 WeakPolarHBondContact O-CG 3.19Å; E770-L774 PolarHBondContact O-N 3.34Å; L774-S776 PolarHBondContact O-N 2.89Å; L774-S777 WeakPolarHBondContact O-CB 3.36Å; L774-S777 PolarHBondContact O-N 3.24Å; L774-I778 WeakPolarHBondContact O-CG1 3.44Å; L774-I778 PolarHBondContact O-N 3.16Å
775	S	87.6	Confident	82	Confident	13 Å²	13	62.9 Å²	62.9	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-54.4	-41.3	179.7	-74.8	0	0	0	0	112.3	Y731 L771 Q772 E773 I778 K779	Y731-S775 PolarHBondContact OH-OG 3.24Å; L771-S775 WeakPolarHBondContact O-CB 3.08Å; L771-S775 PolarHBondContact O-N 2.98Å; L771-S775 PolarHBondContact O-OG 2.98Å; Q772-S775 WeakPolarHBondContact O-CB 2.91Å; Q772-S775 PolarHBondContact O-N 3.48Å; E773-S775 VanDerWaalsContact C-N 3.33Å; E773-S775 PolarHBondContact O-N 2.9Å; S775-I778 PolarHBondContact O-N 2.98Å; S775-K779 WeakPolarHBondContact O-CB 3.48Å; S775-K779 VanDerWaalsContact O-CG 3.28Å; S775-K779 WeakPolarHBondContact O-CG 3.31Å; S775-K779 PolarHBondContact O-N 3.44Å
776	S	86.1	Confident	80.6	Confident	68 Å²	68	72 Å²	72	48%	0.476	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-45	176.9	63.6	0	0	0	0	112	E773 L774 K779 D780	E773-S776 PolarHBondContact O-OG 2.92Å; L774-S776 PolarHBondContact O-N 2.89Å; S776-K779 PolarHBondContact O-N 2.88Å; S776-D780 WeakPolarHBondContact O-CB 3.48Å; S776-D780 VanDerWaalsContact O-CG 3.28Å; S776-D780 PolarHBondContact O-N 3.23Å
777	S	86.6	Confident	78.4	Confident	52 Å²	52	78.1 Å²	78.1	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-37.7	-180	-61.7	0	0	0	0	111.9	L774 D780 L781	L774-S777 WeakPolarHBondContact O-CB 3.36Å; L774-S777 PolarHBondContact O-N 3.24Å; S777-D780 PolarHBondContact O-N 3.47Å; S777-L781 PolarHBondContact O-N 3.44Å
778	I	89.6	Confident	76	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-66.8	-44.3	175.4	-66.4	-70.1	0	0	0	111.1	I685 T689 L727 L728 Y731 L774 S775 D780 L781	I685-I778 HydrophobicContact CG2-CB 4.3Å; I685-I778 HydrophobicContact CG2-CG2 3.74Å; T689-I778 HydrophobicContact CG2-CG2 3.83Å; L727-I778 HydrophobicContact CD2-CD1 4.13Å; L727-I778 HydrophobicContact CG-CD1 3.78Å; L728-I778 HydrophobicContact CD2-CD1 4.15Å; Y731-I778 HydrophobicContact CD1-CD1 4.42Å; Y731-I778 HydrophobicContact CD1-CG1 4.16Å; Y731-I778 HydrophobicContact CD2-CD1 4.2Å; Y731-I778 HydrophobicContact CD2-CG1 3.58Å; Y731-I778 HydrophobicContact CE1-CG1 4.46Å; Y731-I778 HydrophobicContact CE2-CG1 3.94Å; Y731-I778 HydrophobicContact CG-CD1 3.87Å; Y731-I778 HydrophobicContact CG-CG1 3.67Å; L774-I778 WeakPolarHBondContact O-CG1 3.44Å; L774-I778 PolarHBondContact O-N 3.16Å; S775-I778 PolarHBondContact O-N 2.98Å; I778-D780 VanDerWaalsContact C-N 3.28Å; I778-D780 PolarHBondContact O-N 3.26Å; I778-L781 HydrophobicContact CD1-CD1 4.18Å; I778-L781 WeakPolarHBondContact O-CB 3.48Å; I778-L781 PolarHBondContact O-N 3.11Å
779	K	88.5	Confident	73.6	Confident	35 Å²	35	80.5 Å²	80.5	15%	0.152	41%	0.411	C	S	.	.	H	α-helix	trans	-60.4	-40.1	174.6	-73.8	-179.4	178.6	-169.4	0	111.6	L676 K677 T679 I685 S775 S776 L781 V782 L783	L676-K779 HydrophobicContact CD1-CG 3.92Å; L676-K779 HydrophobicContact CG-CG 4.09Å; L676-K779 WeakPolarHBondContact O-CE 3.49Å; L676-K779 PolarHBondContact O-NZ 2.98Å; K677-K779 PolarHBondContact O-NZ 3.39Å; K677-K779 VanDerWaalsContact O-NZ 3.12Å; T679-K779 WeakPolarHBondContact O-CE 3.45Å; T679-K779 PolarHBondContact O-NZ 2.92Å; I685-K779 HydrophobicContact CG2-CG 4.08Å; S775-K779 WeakPolarHBondContact O-CB 3.48Å; S775-K779 VanDerWaalsContact O-CG 3.28Å; S775-K779 WeakPolarHBondContact O-CG 3.31Å; S775-K779 PolarHBondContact O-N 3.44Å; S776-K779 PolarHBondContact O-N 2.88Å; K779-L781 VanDerWaalsContact C-N 3.27Å; K779-L781 PolarHBondContact O-N 3.16Å; K779-V782 PolarHBondContact O-N 2.93Å; K779-L783 HydrophobicContact CB-CD1 4.09Å; K779-L783 WeakPolarHBondContact O-CB 3.42Å; K779-L783 WeakPolarHBondContact O-CG 3.47Å; K779-L783 PolarHBondContact O-N 3.41Å
780	D	87.6	Confident	71.5	Confident	55 Å²	55	80.5 Å²	80.5	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-27.1	-179.5	-81.6	-16.9	0	0	0	113.7	S776 S777 I778 V782 K784	S776-D780 WeakPolarHBondContact O-CB 3.48Å; S776-D780 VanDerWaalsContact O-CG 3.28Å; S776-D780 PolarHBondContact O-N 3.23Å; S777-D780 PolarHBondContact O-N 3.47Å; I778-D780 VanDerWaalsContact C-N 3.28Å; I778-D780 PolarHBondContact O-N 3.26Å; D780-V782 PolarHBondContact O-N 3.37Å; D780-K784 HydrophobicContact CB-CD 4Å; D780-K784 HydrophobicContact CB-CG 4.29Å; D780-K784 VanDerWaalsContact CG-CD 3.47Å; D780-K784 VanDerWaalsContact CG-CE 3.42Å; D780-K784 VanDerWaalsContact CG-NZ 3.33Å; D780-K784 WeakPolarHBondContact O-CB 3.49Å; D780-K784 PolarHBondContact O-N 3.49Å; D780-K784 VanDerWaalsContact O-N 3.07Å; D780-K784 WeakPolarHBondContact OD1-CD 3.39Å; D780-K784 WeakPolarHBondContact OD1-CE 3.28Å; D780-K784 IonicContact OD1-NZ 2.68Å; D780-K784 PolarHBondContact OD1-NZ 3.43Å; D780-K784 VanDerWaalsContact OD2-CE 3.31Å; D780-K784 WeakPolarHBondContact OD2-CE 3.03Å; D780-K784 IonicContact OD2-NZ 2.73Å; D780-K784 PolarHBondContact OD2-NZ 3.03Å
781	L	85.1	Confident	68.9	Low	28 Å²	28	82.7 Å²	82.7	15%	0.147	44%	0.44	C	S	.	.	H	α-helix	trans	-52.9	-31.1	175.1	-67.4	178.6	0	0	0	112.4	Q724 L727 L728 S777 I778 K779	Q724-L781 HydrophobicContact CB-CD2 4.04Å; Q724-L781 HydrophobicContact CG-CD2 3.75Å; L727-L781 HydrophobicContact CD2-CD1 4.22Å; L727-L781 HydrophobicContact CD2-CD2 4.2Å; L727-L781 HydrophobicContact CD2-CG 4.35Å; L728-L781 HydrophobicContact CD2-CD1 3.99Å; L728-L781 HydrophobicContact CG-CD1 4.03Å; S777-L781 PolarHBondContact O-N 3.44Å; I778-L781 HydrophobicContact CD1-CD1 4.18Å; I778-L781 WeakPolarHBondContact O-CB 3.48Å; I778-L781 PolarHBondContact O-N 3.11Å; K779-L781 VanDerWaalsContact C-N 3.27Å; K779-L781 PolarHBondContact O-N 3.16Å
782	V	84	Confident	66.3	Low	7 Å²	7	92 Å²	92	4%	0.042	48%	0.484	C	S	.	.	H	α-helix	trans	-111.2	-39.3	-175	-173.4	0	0	0	0	111.8	L676 T689 L692 L693 F696 K779 D780	L676-V782 HydrophobicContact CD2-CB 4.23Å; T689-V782 HydrophobicContact CG2-CG2 3.75Å; L692-V782 HydrophobicContact CB-CG1 3.62Å; L692-V782 HydrophobicContact CB-CG2 4.24Å; L692-V782 HydrophobicContact CD1-CG1 3.76Å; L692-V782 HydrophobicContact CD2-CG1 4.48Å; L692-V782 HydrophobicContact CG-CG1 4.15Å; L693-V782 HydrophobicContact CD1-CG2 4.49Å; L693-V782 HydrophobicContact CD2-CG2 3.89Å; L693-V782 HydrophobicContact CG-CG2 3.78Å; F696-V782 HydrophobicContact CD2-CG1 4.04Å; F696-V782 HydrophobicContact CE2-CG1 3.42Å; F696-V782 VanDerWaalsContact CE2-CG1 3.42Å; F696-V782 HydrophobicContact CZ-CG1 4.37Å; K779-V782 PolarHBondContact O-N 2.93Å; D780-V782 PolarHBondContact O-N 3.37Å
783	L	83.7	Confident	63.7	Low	60 Å²	60	99.2 Å²	99.2	31%	0.314	52%	0.518	S	S	.	.	H	α-helix	trans	-78.7	-28.1	-174.7	-64.1	179.5	0	0	0	113.6	A673 L676 K677 K779	A673-L783 HydrophobicContact CB-CD2 4.14Å; L676-L783 HydrophobicContact CD2-CD2 4.48Å; L676-L783 HydrophobicContact CD2-CG 4.28Å; K677-L783 HydrophobicContact CG-CD1 3.74Å; K677-L783 HydrophobicContact CG-CD2 4.07Å; K779-L783 HydrophobicContact CB-CD1 4.09Å; K779-L783 WeakPolarHBondContact O-CB 3.42Å; K779-L783 WeakPolarHBondContact O-CG 3.47Å; K779-L783 PolarHBondContact O-N 3.41Å
784	K	72.5	Confident	62.7	Low	144 Å²	144	97.2 Å²	97.2	63%	0.626	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	12.4	178.1	-70.2	-175.5	-179.7	160.5	0	113.2	D780 R786	D780-K784 HydrophobicContact CB-CD 4Å; D780-K784 HydrophobicContact CB-CG 4.29Å; D780-K784 VanDerWaalsContact CG-CD 3.47Å; D780-K784 VanDerWaalsContact CG-CE 3.42Å; D780-K784 VanDerWaalsContact CG-NZ 3.33Å; D780-K784 WeakPolarHBondContact O-CB 3.49Å; D780-K784 PolarHBondContact O-N 3.49Å; D780-K784 VanDerWaalsContact O-N 3.07Å; D780-K784 WeakPolarHBondContact OD1-CD 3.39Å; D780-K784 WeakPolarHBondContact OD1-CE 3.28Å; D780-K784 IonicContact OD1-NZ 2.68Å; D780-K784 PolarHBondContact OD1-NZ 3.43Å; D780-K784 VanDerWaalsContact OD2-CE 3.31Å; D780-K784 WeakPolarHBondContact OD2-CE 3.03Å; D780-K784 IonicContact OD2-NZ 2.73Å; D780-K784 PolarHBondContact OD2-NZ 3.03Å; K784-R786 PolarHBondContact O-N 3Å
785	S	52.8	Low	61.3	Low	69 Å²	69	100.8 Å²	100.8	48%	0.483	53%	0.53	S	S	.	.			trans	-48.9	113.1	-175.2	80	0	0	0	0	109.5	K787	S785-K787 PolarHBondContact O-N 3.22Å
786	R	43.5	Very low	59.9	Low	237 Å²	237	105.7 Å²	105.7	89%	0.894	55%	0.554	S	S	*	*			trans	-47.4	137.2	-179.9	-80.3	176.9	172.7	175.3	-2.1	108.4	K784 S788	K784-R786 PolarHBondContact O-N 3Å; R786-S788 PolarHBondContact O-N 3.29Å
787	K	31.2	Very low	58.3	Low	198 Å²	198	107.9 Å²	107.9	86%	0.861	56%	0.559	S	S	*	*			trans	-43.8	117.6	161.2	-70.9	178.3	177.2	176.9	0	106.9	S785 S789	S785-K787 PolarHBondContact O-N 3.22Å; K787-S789 PolarHBondContact O-N 3.01Å
788	S	32.2	Very low	56.5	Low	118 Å²	118	111.4 Å²	111.4	83%	0.825	57%	0.571	S	S	*	*			trans	-63	97.8	160.6	46.1	0	0	0	0	106.5	R786 V790	R786-S788 PolarHBondContact O-N 3.29Å; S788-V790 PolarHBondContact O-N 3.43Å
789	S	27.2	Very low	54.3	Low	108 Å²	108	118.9 Å²	118.9	76%	0.755	61%	0.609	S	S	*	*			trans	-71.2	103.9	163.2	47.2	0	0	0	0	107.4	K787	K787-S789 PolarHBondContact O-N 3.01Å
790	V	36.3	Very low	51.9	Low	124 Å²	124	124.9 Å²	124.9	75%	0.752	64%	0.642	S	S	*	*			trans	7.2	136.3	142.8	-165.4	0	0	0	0	116.5	S788	S788-V790 PolarHBondContact O-N 3.43Å
791	T	30.8	Very low	49.2	Very low	131 Å²	131	130.2 Å²	130.2	80%	0.804	67%	0.669	S	S	*	*			trans	94.3	131.8	166.9	57.3	0	0	0	0	119.4
792	E	31.7	Very low	46.2	Very low	196 Å²	196	138.8 Å²	138.8	92%	0.916	71%	0.712	S	S	*	*			trans	82.1	106.4	-178.8	-57.9	-177.5	172.2	0	0	115
793	E	28.2	Very low	42.7	Very low	273 Å²	273	150.7 Å²	150.7	100%	1.276	77%	0.773	S	S	*	*			cis	-131.4	0	7.3	-94.3	-179.5	152.3	0	0	111

Retrieved 793 of 793 residues in 4289.8 ms (Link to these results)

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