A0A077ZDS6_TRITR Loading...

Potassium voltage gated channel protein Shab

AlphaFold DB , UniProt , Accession A0A077ZDS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 623 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	31.8	Very low	32.7	Very low	202 Å²	202	112.3 Å²	112.3	100%	0.995	59%	0.586	S	S	*	*				0	-53.1	0	-70.4	-174.7	-165.5	0	0	112	T3 K4	M1-T3 PolarHBondContact O-N 3.11Å; M1-T3 VanDerWaalsContact O-N 3.11Å; M1-K4 PolarHBondContact O-N 3.4Å; M1-K4 VanDerWaalsContact O-N 3.07Å
2	R	30.9	Very low	32.8	Very low	213 Å²	213	112.6 Å²	112.6	80%	0.804	58%	0.583	S	S	*	*	H	α-helix	trans	-55	-27.9	174.2	-77.5	-176.1	-172.4	173.5	3.8	115.8	L6	R2-L6 VanDerWaalsContact O-CD1 3.27Å; R2-L6 WeakPolarHBondContact O-CD1 3.41Å; R2-L6 VanDerWaalsContact O-CG 3.31Å; R2-L6 WeakPolarHBondContact O-CG 3.4Å; R2-L6 PolarHBondContact O-N 3.23Å
3	T	33.7	Very low	32.9	Very low	92 Å²	92	109 Å²	109	56%	0.564	57%	0.573	S	S	*	*	H	α-helix	trans	-72.3	-23.9	177.5	39.8	0	0	0	0	114.5	M1	M1-T3 PolarHBondContact O-N 3.11Å; M1-T3 VanDerWaalsContact O-N 3.11Å
4	K	32.6	Very low	33	Very low	174 Å²	174	108.9 Å²	108.9	76%	0.757	57%	0.573	S	S	*	*	H	α-helix	trans	-86.1	-27.2	176.6	-73.9	-171.3	174.3	-174	0	112.7	M1 L6 S7	M1-K4 PolarHBondContact O-N 3.4Å; M1-K4 VanDerWaalsContact O-N 3.07Å; K4-L6 VanDerWaalsContact C-N 3.33Å; K4-S7 PolarHBondContact O-OG 3.46Å
5	E	32.2	Very low	33.1	Very low	137 Å²	137	108.7 Å²	108.7	64%	0.64	57%	0.568	S	S	*	*	H	α-helix	trans	-73.1	-27.9	173.4	-67.2	173.3	151.7	0	0	112	A8 C9	E5-A8 PolarHBondContact O-N 3.11Å; E5-C9 PolarHBondContact O-N 3.12Å
6	L	36.6	Very low	33	Very low	81 Å²	81	108.7 Å²	108.7	42%	0.424	57%	0.568	S	S	.	*	H	α-helix	trans	-73	-34	-180	-77.1	161.3	0	0	0	113.4	R2 K4 A8 A10	R2-L6 VanDerWaalsContact O-CD1 3.27Å; R2-L6 WeakPolarHBondContact O-CD1 3.41Å; R2-L6 VanDerWaalsContact O-CG 3.31Å; R2-L6 WeakPolarHBondContact O-CG 3.4Å; R2-L6 PolarHBondContact O-N 3.23Å; K4-L6 VanDerWaalsContact C-N 3.33Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A10 PolarHBondContact O-N 3.39Å
7	S	31.7	Very low	33.1	Very low	72 Å²	72	107.5 Å²	107.5	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-72.4	-29.8	174.1	71.2	0	0	0	0	112.2	K4 N11	K4-S7 PolarHBondContact O-OG 3.46Å; S7-N11 PolarHBondContact O-N 3.43Å
8	A	31.8	Very low	33.1	Very low	45 Å²	45	105.8 Å²	105.8	37%	0.372	56%	0.561	S	S	.	*	H	α-helix	trans	-67.1	-43.7	175.6	0	0	0	0	0	111.6	E5 L6 A10 N11 E12	E5-A8 PolarHBondContact O-N 3.11Å; L6-A8 VanDerWaalsContact C-N 3.34Å; A8-A10 PolarHBondContact O-N 3.22Å; A8-N11 PolarHBondContact O-N 2.97Å; A8-E12 WeakPolarHBondContact O-CB 3.47Å; A8-E12 WeakPolarHBondContact O-CG 3.25Å; A8-E12 PolarHBondContact O-N 3.33Å
9	C	31.3	Very low	33.2	Very low	78 Å²	78	104.9 Å²	104.9	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-70	-31.7	-178.4	-155.4	0	0	0	0	113.2	E5 S13	E5-C9 PolarHBondContact O-N 3.12Å; C9-S13 WeakPolarHBondContact O-CB 3.47Å; C9-S13 PolarHBondContact O-N 3.44Å; C9-S13 PolarHBondContact O-OG 2.94Å
10	A	33.9	Very low	33.3	Very low	38 Å²	38	105 Å²	105	31%	0.314	55%	0.553	S	S	.	*	H	α-helix	trans	-70.4	-37.4	172.9	0	0	0	0	0	112.3	L6 A8 S13 L14	L6-A10 PolarHBondContact O-N 3.39Å; A8-A10 PolarHBondContact O-N 3.22Å; A10-S13 PolarHBondContact O-OG 2.9Å; A10-L14 PolarHBondContact O-N 3.17Å
11	N	32.7	Very low	33.4	Very low	103 Å²	103	104.4 Å²	104.4	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-72.3	-38.9	172.9	-84.2	-7.3	0	0	0	112.1	S7 A8 L14 Q15	S7-N11 PolarHBondContact O-N 3.43Å; A8-N11 PolarHBondContact O-N 2.97Å; N11-L14 PolarHBondContact O-N 3.35Å; N11-Q15 WeakPolarHBondContact O-CB 2.86Å; N11-Q15 VanDerWaalsContact O-CG 3.25Å; N11-Q15 WeakPolarHBondContact O-CG 3.29Å; N11-Q15 PolarHBondContact O-N 3.26Å
12	E	33.9	Very low	33.6	Very low	116 Å²	116	100 Å²	100	54%	0.542	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-40.3	177.5	-80.7	176.9	149.4	0	0	112.3	A8 Q15 D16	A8-E12 WeakPolarHBondContact O-CB 3.47Å; A8-E12 WeakPolarHBondContact O-CG 3.25Å; A8-E12 PolarHBondContact O-N 3.33Å; E12-Q15 PolarHBondContact O-N 2.62Å; E12-D16 VanDerWaalsContact O-CB 3.3Å; E12-D16 WeakPolarHBondContact O-CB 3.35Å; E12-D16 PolarHBondContact O-N 2.78Å
13	S	34.4	Very low	33.8	Very low	66 Å²	66	93.6 Å²	93.6	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-73.3	-29.1	179.4	51.7	0	0	0	0	114	C9 A10 V17	C9-S13 WeakPolarHBondContact O-CB 3.47Å; C9-S13 PolarHBondContact O-N 3.44Å; C9-S13 PolarHBondContact O-OG 2.94Å; A10-S13 PolarHBondContact O-OG 2.9Å; S13-V17 WeakPolarHBondContact O-CG2 3.16Å
14	L	34.2	Very low	33.9	Very low	108 Å²	108	94.4 Å²	94.4	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-78.4	-36.6	170.9	-101.6	135.6	0	0	0	112	A10 N11 T18	A10-L14 PolarHBondContact O-N 3.17Å; N11-L14 PolarHBondContact O-N 3.35Å; L14-T18 PolarHBondContact O-N 3.35Å; L14-T18 PolarHBondContact O-OG1 3.2Å
15	Q	34.1	Very low	34	Very low	106 Å²	106	95.3 Å²	95.3	50%	0.495	51%	0.51	S	S	.	.	H	α-helix	trans	-69.5	-35.2	173.8	-79.7	177.1	-22.9	0	0	112	N11 E12 V17 T18 N19	N11-Q15 WeakPolarHBondContact O-CB 2.86Å; N11-Q15 VanDerWaalsContact O-CG 3.25Å; N11-Q15 WeakPolarHBondContact O-CG 3.29Å; N11-Q15 PolarHBondContact O-N 3.26Å; E12-Q15 PolarHBondContact O-N 2.62Å; Q15-V17 VanDerWaalsContact C-N 3.34Å; Q15-V17 PolarHBondContact O-N 3.16Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.48Å; Q15-T18 PolarHBondContact O-N 3.28Å; Q15-T18 PolarHBondContact O-OG1 3.32Å; Q15-N19 WeakPolarHBondContact O-CA 3.28Å; Q15-N19 WeakPolarHBondContact O-CB 3.43Å; Q15-N19 PolarHBondContact O-N 3.01Å; Q15-N19 PolarHBondContact O-ND2 3.06Å
16	D	32.6	Very low	34.2	Very low	108 Å²	108	93.1 Å²	93.1	58%	0.578	50%	0.503	S	S	*	.	H	α-helix	trans	-66.4	-37.2	176.8	-88.8	-18.8	0	0	0	111.6	E12 H20	E12-D16 VanDerWaalsContact O-CB 3.3Å; E12-D16 WeakPolarHBondContact O-CB 3.35Å; E12-D16 PolarHBondContact O-N 2.78Å; D16-H20 VanDerWaalsContact O-CB 3.25Å; D16-H20 WeakPolarHBondContact O-CB 3.18Å; D16-H20 PolarHBondContact O-N 3.13Å
17	V	33.9	Very low	34.1	Very low	89 Å²	89	91.7 Å²	91.7	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-74.7	-31.4	178.1	178	0	0	0	0	112	S13 Q15 N21	S13-V17 WeakPolarHBondContact O-CG2 3.16Å; Q15-V17 VanDerWaalsContact C-N 3.34Å; Q15-V17 PolarHBondContact O-N 3.16Å; V17-N21 PolarHBondContact O-ND2 3.04Å
18	T	34.3	Very low	34.3	Very low	77 Å²	77	93.8 Å²	93.8	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-81.8	-43	175.8	36.8	0	0	0	0	112.1	L14 Q15 H20 N21 L22	L14-T18 PolarHBondContact O-N 3.35Å; L14-T18 PolarHBondContact O-OG1 3.2Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.48Å; Q15-T18 PolarHBondContact O-N 3.28Å; Q15-T18 PolarHBondContact O-OG1 3.32Å; T18-H20 PolarHBondContact O-N 2.9Å; T18-N21 PolarHBondContact O-N 3.37Å; T18-N21 VanDerWaalsContact O-N 3.12Å; T18-L22 WeakPolarHBondContact O-CD1 3.21Å; T18-L22 PolarHBondContact O-N 3.39Å; T18-L22 VanDerWaalsContact O-N 3.09Å
19	N	34.8	Very low	34.6	Very low	88 Å²	88	97.4 Å²	97.4	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-68.8	-31.6	177.6	-69.3	-26.6	0	0	0	112.7	Q15 N21 L22 S23	Q15-N19 WeakPolarHBondContact O-CA 3.28Å; Q15-N19 WeakPolarHBondContact O-CB 3.43Å; Q15-N19 PolarHBondContact O-N 3.01Å; Q15-N19 PolarHBondContact O-ND2 3.06Å; N19-N21 PolarHBondContact O-N 3.23Å; N19-L22 PolarHBondContact O-N 2.89Å; N19-S23 VanDerWaalsContact O-CB 3.22Å; N19-S23 WeakPolarHBondContact O-CB 3.33Å; N19-S23 PolarHBondContact O-N 3.02Å
20	H	34.7	Very low	34.6	Very low	106 Å²	106	102.7 Å²	102.7	49%	0.491	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-25.5	172	-120.3	-64.3	0	0	0	113.2	D16 T18 R24	D16-H20 VanDerWaalsContact O-CB 3.25Å; D16-H20 WeakPolarHBondContact O-CB 3.18Å; D16-H20 PolarHBondContact O-N 3.13Å; T18-H20 PolarHBondContact O-N 2.9Å; H20-R24 WeakPolarHBondContact O-CB 2.92Å; H20-R24 PolarHBondContact O-N 3.42Å
21	N	36	Very low	34.6	Very low	94 Å²	94	109.3 Å²	109.3	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-87.8	-27.3	178.7	-76.4	-48	0	0	0	112.8	V17 T18 N19 R25	V17-N21 PolarHBondContact O-ND2 3.04Å; T18-N21 PolarHBondContact O-N 3.37Å; T18-N21 VanDerWaalsContact O-N 3.12Å; N19-N21 PolarHBondContact O-N 3.23Å; N21-R25 WeakPolarHBondContact O-CG 3.31Å
22	L	34.9	Very low	34.5	Very low	109 Å²	109	108.2 Å²	108.2	57%	0.571	56%	0.558	S	S	*	*	H	α-helix	trans	-76.9	-45.9	170.2	-87.9	121.5	0	0	0	112	T18 N19 R24 R25 D26	T18-L22 WeakPolarHBondContact O-CD1 3.21Å; T18-L22 PolarHBondContact O-N 3.39Å; T18-L22 VanDerWaalsContact O-N 3.09Å; N19-L22 PolarHBondContact O-N 2.89Å; L22-R24 PolarHBondContact O-N 3.47Å; L22-R25 PolarHBondContact O-N 2.98Å; L22-D26 PolarHBondContact O-N 3.1Å
23	S	35.9	Very low	34.4	Very low	79 Å²	79	109.6 Å²	109.6	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-66.1	-33.6	-180	178.5	0	0	0	0	113.5	N19 D26 A27	N19-S23 VanDerWaalsContact O-CB 3.22Å; N19-S23 WeakPolarHBondContact O-CB 3.33Å; N19-S23 PolarHBondContact O-N 3.02Å; S23-D26 PolarHBondContact O-N 3.22Å; S23-A27 WeakPolarHBondContact O-CB 3.21Å; S23-A27 PolarHBondContact O-N 3.05Å; S23-A27 VanDerWaalsContact O-N 3.09Å
24	R	35.6	Very low	34.4	Very low	108 Å²	108	109.2 Å²	109.2	41%	0.408	58%	0.583	S	S	.	*	H	α-helix	trans	-73.7	-34	174.3	-93.1	-176.8	172.4	-156.6	-7.2	113.5	H20 L22 D26 A27 T28 E479	H20-R24 WeakPolarHBondContact O-CB 2.92Å; H20-R24 PolarHBondContact O-N 3.42Å; L22-R24 PolarHBondContact O-N 3.47Å; R24-D26 PolarHBondContact O-N 3.4Å; R24-A27 PolarHBondContact O-N 3.1Å; R24-T28 PolarHBondContact O-N 3.2Å; R24-T28 PolarHBondContact O-OG1 3.16Å; R24-E479 IonicContact CZ-OE2 2.99Å; R24-E479 IonicContact NH1-OE1 3.11Å; R24-E479 IonicContact NH1-OE2 3.09Å; R24-E479 PolarHBondContact NH1-OE2 3.19Å; R24-E479 IonicContact NH2-OE2 2.68Å
25	R	35.2	Very low	34.3	Very low	193 Å²	193	107.7 Å²	107.7	73%	0.728	58%	0.575	S	S	*	*	H	α-helix	trans	-63.8	-33	173.1	-82.8	179.2	172.6	161	-2.4	111.5	N21 L22 I29	N21-R25 WeakPolarHBondContact O-CG 3.31Å; L22-R25 PolarHBondContact O-N 2.98Å; R25-I29 WeakPolarHBondContact O-CD1 3.41Å; R25-I29 WeakPolarHBondContact O-CG1 3.33Å
26	D	35	Very low	34.3	Very low	92 Å²	92	105 Å²	105	49%	0.492	58%	0.576	S	S	.	*	H	α-helix	trans	-79.9	-19.4	175.4	-77	-33.4	0	0	0	114.9	L22 S23 R24 R30	L22-D26 PolarHBondContact O-N 3.1Å; S23-D26 PolarHBondContact O-N 3.22Å; R24-D26 PolarHBondContact O-N 3.4Å; D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-NE 3.35Å; D26-R30 VanDerWaalsContact O-NE 3.07Å
27	A	36	Very low	34.3	Very low	51 Å²	51	107.3 Å²	107.3	42%	0.421	58%	0.583	S	S	.	*	H	α-helix	trans	-90.5	-34.3	177.5	0	0	0	0	0	113.2	S23 R24 I29 R30	S23-A27 WeakPolarHBondContact O-CB 3.21Å; S23-A27 PolarHBondContact O-N 3.05Å; S23-A27 VanDerWaalsContact O-N 3.09Å; R24-A27 PolarHBondContact O-N 3.1Å; A27-I29 VanDerWaalsContact C-N 3.26Å; A27-I29 PolarHBondContact O-N 3.23Å; A27-R30 PolarHBondContact O-N 3.34Å
28	T	35.4	Very low	34.5	Very low	115 Å²	115	108.4 Å²	108.4	71%	0.706	59%	0.586	S	S	*	*	H	α-helix	trans	-76	-12.1	179.9	-44.4	0	0	0	0	113.2	R24	R24-T28 PolarHBondContact O-N 3.2Å; R24-T28 PolarHBondContact O-OG1 3.16Å
29	I	37	Very low	34.5	Very low	121 Å²	121	108.3 Å²	108.3	62%	0.621	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-12.1	172.1	-63.8	173.8	0	0	0	111.9	R25 A27	R25-I29 WeakPolarHBondContact O-CD1 3.41Å; R25-I29 WeakPolarHBondContact O-CG1 3.33Å; A27-I29 VanDerWaalsContact C-N 3.26Å; A27-I29 PolarHBondContact O-N 3.23Å
30	R	31.7	Very low	34.6	Very low	189 Å²	189	108.6 Å²	108.6	71%	0.713	59%	0.589	S	S	*	*	S	Bend	trans	-99.5	-1.4	-172.7	-69.4	-175	-152.2	-145.1	1.8	116.2	D26 A27	D26-R30 WeakPolarHBondContact O-CG 3.39Å; D26-R30 PolarHBondContact O-NE 3.35Å; D26-R30 VanDerWaalsContact O-NE 3.07Å; A27-R30 PolarHBondContact O-N 3.34Å
31	H	33.6	Very low	34.7	Very low	178 Å²	178	109.2 Å²	109.2	82%	0.824	60%	0.595	S	S	*	*			trans	-128.9	68.9	177	-75.6	-83.3	0	0	0	111
32	S	31.2	Very low	34.8	Very low	80 Å²	80	115.7 Å²	115.7	56%	0.559	61%	0.612	S	S	*	*			trans	-140	116.5	160.9	-164.1	0	0	0	0	108.3	G34	S32-G34 PolarHBondContact O-N 3.01Å
33	P	32.2	Very low	34.9	Very low	145 Å²	145	121.1 Å²	121.1	94%	0.942	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	81	-177.3	31.5	-30.9	0	0	0	108.7
34	G	33.4	Very low	34.9	Very low	58 Å²	58	125.1 Å²	125.1	60%	0.598	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.3	-4.6	179.4	0	0	0	0	0	115.2	S32 G36	S32-G34 PolarHBondContact O-N 3.01Å; G34-G36 PolarHBondContact O-N 3.14Å
35	N	33.8	Very low	35.1	Very low	75 Å²	75	131.3 Å²	131.3	40%	0.401	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.6	34.4	-170.9	-81.3	-15.7	0	0	0	114.9	E37 S39	N35-E37 PolarHBondContact O-N 3.24Å; N35-S39 PolarHBondContact O-OG 3.3Å; N35-S39 VanDerWaalsContact O-OG 3.07Å
36	G	32.9	Very low	35.2	Very low	49 Å²	49	126.5 Å²	126.5	51%	0.505	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-24	169	0	0	0	0	0	113.2	G34 I40	G34-G36 PolarHBondContact O-N 3.14Å; G36-I40 WeakPolarHBondContact O-CD1 3.42Å; G36-I40 VanDerWaalsContact O-CG1 3.25Å; G36-I40 WeakPolarHBondContact O-CG1 3.38Å
37	E	34	Very low	35.3	Very low	157 Å²	157	128.1 Å²	128.1	73%	0.734	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-30.4	-177.7	-72.1	-177.3	125.8	0	0	114	N35 I40 L41	N35-E37 PolarHBondContact O-N 3.24Å; E37-I40 PolarHBondContact O-N 3.49Å; E37-L41 WeakPolarHBondContact O-CG 3.13Å; E37-L41 PolarHBondContact O-N 2.94Å; E37-L41 VanDerWaalsContact O-N 3.11Å
38	L	37.5	Very low	35.3	Very low	113 Å²	113	130.6 Å²	130.6	59%	0.592	68%	0.684	S	S	*	*	H	α-helix	trans	-75.3	-30.5	-179.9	-106.8	85.4	0	0	0	113.9	L41 R42	L38-L41 PolarHBondContact O-N 3.38Å; L38-R42 PolarHBondContact O-N 3.01Å
39	S	33.6	Very low	35.7	Very low	74 Å²	74	131.6 Å²	131.6	52%	0.517	68%	0.684	S	S	.	*	H	α-helix	trans	-77.1	-25.8	176.4	54.9	0	0	0	0	112.4	N35	N35-S39 PolarHBondContact O-OG 3.3Å; N35-S39 VanDerWaalsContact O-OG 3.07Å
40	I	37	Very low	36.1	Very low	94 Å²	94	130 Å²	130	48%	0.482	68%	0.68	S	S	.	*	H	α-helix	trans	-78.5	-30	172.2	-63.6	177.2	0	0	0	111.1	G36 E37 K44	G36-I40 WeakPolarHBondContact O-CD1 3.42Å; G36-I40 VanDerWaalsContact O-CG1 3.25Å; G36-I40 WeakPolarHBondContact O-CG1 3.38Å; E37-I40 PolarHBondContact O-N 3.49Å; I40-K44 HydrophobicContact CG2-CD 4Å; I40-K44 HydrophobicContact CG2-CG 4.5Å; I40-K44 WeakPolarHBondContact O-CB 3.44Å; I40-K44 WeakPolarHBondContact O-CG 3.34Å; I40-K44 PolarHBondContact O-N 3.16Å
41	L	37.1	Very low	37.1	Very low	120 Å²	120	126.6 Å²	126.6	63%	0.628	67%	0.67	S	S	*	*	H	α-helix	trans	-73.4	-32.7	173.8	-77	164.2	0	0	0	113.4	E37 L38 R43	E37-L41 WeakPolarHBondContact O-CG 3.13Å; E37-L41 PolarHBondContact O-N 2.94Å; E37-L41 VanDerWaalsContact O-N 3.11Å; L38-L41 PolarHBondContact O-N 3.38Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.38Å
42	R	38.6	Very low	38.2	Very low	230 Å²	230	120.2 Å²	120.2	87%	0.868	65%	0.645	S	S	*	*	H	α-helix	trans	-71.1	-21.6	173.5	-101	-177.9	179.2	-179.7	-1	114.1	L38	L38-R42 PolarHBondContact O-N 3.01Å
43	R	35.3	Very low	39.6	Very low	222 Å²	222	119 Å²	119	84%	0.838	64%	0.636	S	S	*	*	H	α-helix	trans	-97.7	-11.6	-179.7	-136.6	173.3	-174	175.9	0.5	113.9	L41	L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.38Å
44	K	36.8	Very low	40.9	Very low	163 Å²	163	119.7 Å²	119.7	71%	0.709	63%	0.627	S	S	*	*	S	Bend	trans	-96.9	-4.4	-176.9	-82.9	-174.7	176.1	-179.1	0	116.1	I40	I40-K44 HydrophobicContact CG2-CD 4Å; I40-K44 HydrophobicContact CG2-CG 4.5Å; I40-K44 WeakPolarHBondContact O-CB 3.44Å; I40-K44 WeakPolarHBondContact O-CG 3.34Å; I40-K44 PolarHBondContact O-N 3.16Å
45	R	39	Very low	42.4	Very low	238 Å²	238	121.6 Å²	121.6	90%	0.898	62%	0.62	S	S	*	*	S	Bend	trans	-91.7	1	173.3	-80.3	-173.3	174.7	-179.2	-2.1	114.8
46	S	38	Very low	43.9	Very low	92 Å²	92	118.8 Å²	118.8	64%	0.643	60%	0.604	S	S	*	*	S	Bend	trans	-105.7	23.2	-165.2	-131.5	0	0	0	0	115.9
47	C	36.4	Very low	45.3	Very low	127 Å²	127	122.2 Å²	122.2	86%	0.858	60%	0.601	S	S	*	*	S	Bend	trans	-141.6	12.2	-172.2	-118.5	0	0	0	0	118.5
48	S	37.4	Very low	46.9	Very low	103 Å²	103	119 Å²	119	72%	0.72	60%	0.596	S	S	*	*	S	Bend	trans	-144.8	-2.3	-175.4	55	0	0	0	0	119.8
49	L	42.7	Very low	48.7	Very low	135 Å²	135	115.3 Å²	115.3	71%	0.707	58%	0.58	S	S	*	*			trans	-147.5	78.2	169.6	-84.6	103.8	0	0	0	110.5
50	T	46.3	Very low	51.1	Low	88 Å²	88	116.9 Å²	116.9	54%	0.54	59%	0.586	S	S	.	*			trans	-107.5	111.8	167.3	59.2	0	0	0	0	106.9	S52 I95	T50-S52 PolarHBondContact O-N 2.96Å; T50-I95 HydrophobicContact CG2-CD1 3.6Å
51	K	53.2	Low	53.7	Low	118 Å²	118	119.1 Å²	119.1	51%	0.513	59%	0.588	S	S	.	*			trans	-53	132.3	164.4	-77	-172.7	179.2	172.4	0	107.5	E55	K51-E55 WeakPolarHBondContact CA-OE2 3.21Å; K51-E55 HydrophobicContact CB-CB 3.94Å; K51-E55 VanDerWaalsContact CB-OE2 3.25Å; K51-E55 WeakPolarHBondContact CB-OE2 3.48Å; K51-E55 HydrophobicContact CD-CB 4.49Å; K51-E55 HydrophobicContact CG-CB 4.46Å; K51-E55 WeakPolarHBondContact CG-OE2 3.33Å
52	S	55.8	Low	56.3	Low	43 Å²	43	113.6 Å²	113.6	30%	0.301	56%	0.559	S	S	.	*			trans	-56.7	152.2	-177.8	73.6	0	0	0	0	109.7	T50 Q54 E55 R56	T50-S52 PolarHBondContact O-N 2.96Å; S52-Q54 PolarHBondContact O-N 3.36Å; S52-E55 PolarHBondContact N-OE2 3.31Å; S52-E55 PolarHBondContact O-N 2.81Å; S52-E55 PolarHBondContact OG-N 3.47Å; S52-R56 PolarHBondContact O-N 2.76Å; S52-R56 VanDerWaalsContact O-N 3.11Å
53	P	59.9	Low	58.9	Low	56 Å²	56	104.9 Å²	104.9	36%	0.364	53%	0.53	S	S	.	.	H	α-helix	trans	-50.5	-25.6	173.9	-28.4	35.8	0	0	0	114	R57 T93	P53-R57 WeakPolarHBondContact O-CG 3.33Å; P53-R57 PolarHBondContact O-N 3.35Å; P53-T93 VanDerWaalsContact CG-O 3.29Å; P53-T93 WeakPolarHBondContact CG-O 3.41Å
54	Q	61.3	Low	61.8	Low	159 Å²	159	94.3 Å²	94.3	74%	0.743	49%	0.49	S	S	*	.	H	α-helix	trans	-74	-42	174.7	-69.8	173.2	-23.9	0	0	112.5	S52 R56 R57 S58	S52-Q54 PolarHBondContact O-N 3.36Å; Q54-R56 VanDerWaalsContact C-N 3.32Å; Q54-R56 PolarHBondContact O-N 2.89Å; Q54-R57 PolarHBondContact O-N 3.17Å; Q54-S58 PolarHBondContact O-N 3.15Å; Q54-S58 VanDerWaalsContact O-N 3.11Å
55	E	63	Low	64.7	Low	98 Å²	98	87.7 Å²	87.7	46%	0.458	46%	0.462	S	S	.	.	H	α-helix	trans	-65	-36.2	175.2	-74.4	174.6	169	0	0	111.9	K51 S52 R57 S58	K51-E55 WeakPolarHBondContact CA-OE2 3.21Å; K51-E55 HydrophobicContact CB-CB 3.94Å; K51-E55 VanDerWaalsContact CB-OE2 3.25Å; K51-E55 WeakPolarHBondContact CB-OE2 3.48Å; K51-E55 HydrophobicContact CD-CB 4.49Å; K51-E55 HydrophobicContact CG-CB 4.46Å; K51-E55 WeakPolarHBondContact CG-OE2 3.33Å; S52-E55 PolarHBondContact N-OE2 3.31Å; S52-E55 PolarHBondContact O-N 2.81Å; S52-E55 PolarHBondContact OG-N 3.47Å; E55-R57 VanDerWaalsContact C-N 3.32Å; E55-R57 PolarHBondContact O-N 3.12Å; E55-S58 WeakPolarHBondContact O-CB 3.32Å; E55-S58 PolarHBondContact O-N 3.38Å; E55-S58 VanDerWaalsContact O-N 3.12Å; E55-S58 PolarHBondContact O-OG 2.83Å
56	R	65.6	Low	67.4	Low	15 Å²	15	76.4 Å²	76.4	6%	0.057	42%	0.42	C	S	.	.	H	α-helix	trans	-59.5	-42.6	173.1	-65.2	-170.5	-66.8	123.5	-1.7	112.1	S52 Q54 S58 S59 A92 T93 Y105	S52-R56 PolarHBondContact O-N 2.76Å; S52-R56 VanDerWaalsContact O-N 3.11Å; Q54-R56 VanDerWaalsContact C-N 3.32Å; Q54-R56 PolarHBondContact O-N 2.89Å; R56-S58 PolarHBondContact O-N 3.37Å; R56-S59 PolarHBondContact O-N 3.17Å; R56-S59 PolarHBondContact O-OG 2.98Å; R56-S59 VanDerWaalsContact O-OG 3.13Å; R56-A92 PolarHBondContact NH1-O 3.05Å; R56-A92 PolarHBondContact NH2-O 3.13Å; R56-T93 PolarHBondContact NH2-O 3.14Å; R56-Y105 WeakPolarHBondContact CD-OH 3.35Å
57	R	63.6	Low	70	Confident	122 Å²	122	73.7 Å²	73.7	46%	0.46	41%	0.407	S	S	.	.	H	α-helix	trans	-71.8	-18.3	177.7	-71.1	177.6	179.9	175.4	1.6	113.1	P53 Q54 E55 S59	P53-R57 WeakPolarHBondContact O-CG 3.33Å; P53-R57 PolarHBondContact O-N 3.35Å; Q54-R57 PolarHBondContact O-N 3.17Å; E55-R57 VanDerWaalsContact C-N 3.32Å; E55-R57 PolarHBondContact O-N 3.12Å; R57-S59 VanDerWaalsContact C-N 3.33Å
58	S	67.7	Low	72.7	Confident	90 Å²	90	70.1 Å²	70.1	63%	0.629	39%	0.391	S	S	*	.	H	α-helix	trans	-79.1	-14.7	175.4	76.7	0	0	0	0	113.5	Q54 E55 R56 V60	Q54-S58 PolarHBondContact O-N 3.15Å; Q54-S58 VanDerWaalsContact O-N 3.11Å; E55-S58 WeakPolarHBondContact O-CB 3.32Å; E55-S58 PolarHBondContact O-N 3.38Å; E55-S58 VanDerWaalsContact O-N 3.12Å; E55-S58 PolarHBondContact O-OG 2.83Å; R56-S58 PolarHBondContact O-N 3.37Å; S58-V60 PolarHBondContact O-N 2.97Å
59	S	74.1	Confident	75.4	Confident	34 Å²	34	69.2 Å²	69.2	24%	0.238	38%	0.376	C	S	.	.			trans	-73.2	123.5	176.5	76.9	0	0	0	0	110.4	R56 R57 R61 W75 N110	R56-S59 PolarHBondContact O-N 3.17Å; R56-S59 PolarHBondContact O-OG 2.98Å; R56-S59 VanDerWaalsContact O-OG 3.13Å; R57-S59 VanDerWaalsContact C-N 3.33Å; S59-R61 WeakPolarHBondContact CB-O 3.5Å; S59-R61 PolarHBondContact O-N 2.86Å; S59-R61 PolarHBondContact OG-O 3.44Å; S59-W75 WeakPolarHBondContact O-CB 3.42Å; S59-N110 PolarHBondContact OG-ND2 3.08Å
60	V	85.2	Confident	77.9	Confident	107 Å²	107	67.7 Å²	67.7	65%	0.648	37%	0.367	S	S	*	.	S	Bend	trans	-61.6	-31.5	177.5	179.3	0	0	0	0	111.1	S58 L74 W75	S58-V60 PolarHBondContact O-N 2.97Å; V60-L74 HydrophobicContact CG1-CD2 3.82Å; V60-L74 WeakPolarHBondContact O-CA 3.28Å; V60-W75 PolarHBondContact O-N 3.37Å
61	R	90.2	Very high	80.2	Confident	142 Å²	142	64.6 Å²	64.6	54%	0.536	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.9	-174.6	-56.8	-174.3	-176.3	179.9	-1.4	112	S59 E72 V73 L74	S59-R61 WeakPolarHBondContact CB-O 3.5Å; S59-R61 PolarHBondContact O-N 2.86Å; S59-R61 PolarHBondContact OG-O 3.44Å; R61-E72 HydrophobicContact CB-CG 4.36Å; R61-E72 WeakPolarHBondContact CD-OE1 3.28Å; R61-E72 IonicContact CZ-OE1 3.64Å; R61-E72 IonicContact NE-OE1 3.69Å; R61-E72 IonicContact NH1-OE1 2.78Å; R61-E72 PolarHBondContact NH1-OE1 2.94Å; R61-E72 IonicContact NH1-OE2 3.84Å; R61-V73 CarbonylContact C-O 3.53Å; R61-V73 WeakPolarHBondContact CA-O 3.49Å; R61-L74 HydrophobicContact CG-CD2 4.32Å
62	V	91.5	Very high	82.1	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.4	175	57.3	0	0	0	0	110.3	L64 V73 W75 L78 Y112	V62-L64 HydrophobicContact CG2-CD2 4.15Å; V62-V73 HydrophobicContact CG1-CG2 3.39Å; V62-V73 PolarHBondContact N-O 3.36Å; V62-V73 PolarHBondContact O-N 3.03Å; V62-W75 HydrophobicContact CB-CE3 3.62Å; V62-W75 HydrophobicContact CB-CZ3 3.96Å; V62-W75 HydrophobicContact CG1-CE3 3.67Å; V62-W75 HydrophobicContact CG1-CZ3 4.18Å; V62-W75 HydrophobicContact CG2-CE3 4.03Å; V62-W75 HydrophobicContact CG2-CZ3 3.83Å; V62-L78 HydrophobicContact CG1-CD1 4.05Å; V62-L78 HydrophobicContact CG1-CG 4.5Å; V62-Y112 HydrophobicContact CG2-CD2 3.53Å; V62-Y112 HydrophobicContact CG2-CE2 3.43Å; V62-Y112 VanDerWaalsContact CG2-CE2 3.43Å
63	L	94.7	Very high	83.9	Confident	48 Å²	48	61.9 Å²	61.9	25%	0.251	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.6	175.5	-60.9	173.4	0	0	0	110.1	I70 E72 M111 Y112	L63-I70 HydrophobicContact CB-CG2 4.29Å; L63-I70 HydrophobicContact CD2-CG2 3.98Å; L63-E72 HydrophobicContact CD2-CB 3.89Å; L63-E72 HydrophobicContact CD2-CG 3.91Å; L63-M111 HydrophobicContact CB-CB 3.98Å; L63-M111 HydrophobicContact CB-CG 3.88Å; L63-M111 WeakPolarHBondContact O-CA 3.27Å; L63-Y112 PolarHBondContact O-N 3.43Å
64	L	95.8	Very high	85.4	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	109.9	173.3	-53.5	178.7	0	0	0	108.4	V62 H71 V73 L78 L86 Y112 F114 F121	V62-L64 HydrophobicContact CG2-CD2 4.15Å; L64-H71 HydrophobicContact CB-CB 4.44Å; L64-H71 PolarHBondContact N-O 3.39Å; L64-H71 PolarHBondContact O-N 3.39Å; L64-V73 HydrophobicContact CD1-CG2 4.04Å; L64-V73 HydrophobicContact CG-CG2 4.31Å; L64-L78 HydrophobicContact CD1-CD2 4.08Å; L64-L86 HydrophobicContact CD1-CD1 4.4Å; L64-L86 HydrophobicContact CD1-CD2 4.13Å; L64-Y112 HydrophobicContact CD2-CD2 4.11Å; L64-Y112 HydrophobicContact CD2-CG 4.43Å; L64-F114 HydrophobicContact CD2-CE2 4.21Å; L64-F121 HydrophobicContact CB-CE1 4.48Å; L64-F121 HydrophobicContact CD1-CE1 4.29Å; L64-F121 HydrophobicContact CD1-CZ 3.74Å
65	N	96.4	Very high	86.8	Confident	24 Å²	24	56 Å²	56	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.6	174.9	-178.3	-10	0	0	0	109.1	G68 E69 I70 M111 Y112 F113 F114	N65-G68 VanDerWaalsContact OD1-C 3.28Å; N65-G68 WeakPolarHBondContact OD1-CA 3.45Å; N65-G68 PolarHBondContact OD1-N 2.66Å; N65-E69 CarbonylContact C-O 3.57Å; N65-E69 WeakPolarHBondContact CA-O 3.48Å; N65-I70 HydrophobicContact CB-CG1 4.35Å; N65-M111 HydrophobicContact CB-CG 4.22Å; N65-M111 HydrophobicContact CB-SD 4.12Å; N65-Y112 PolarHBondContact N-O 3.28Å; N65-F113 HydrophobicContact CB-CD2 4.09Å; N65-F113 CarbonylContact O-C 3.41Å; N65-F113 VanDerWaalsContact O-CA 3.31Å; N65-F113 WeakPolarHBondContact O-CA 3.46Å; N65-F114 PolarHBondContact O-N 3.33Å
66	V	96.2	Very high	88.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.7	-179.3	-173.8	0	0	0	0	109.2	G68 E69 F114 R116 P118 F121 W151	V66-G68 PolarHBondContact O-N 3.12Å; V66-G68 VanDerWaalsContact O-N 3.07Å; V66-E69 PolarHBondContact N-O 3.31Å; V66-E69 PolarHBondContact O-N 3.35Å; V66-F114 CarbonylContact C-O 3.32Å; V66-F114 WeakPolarHBondContact CA-O 3.36Å; V66-F114 HydrophobicContact CG1-CB 4.35Å; V66-F114 HydrophobicContact CG2-CB 4.23Å; V66-F114 HydrophobicContact CG2-CD2 4.01Å; V66-F114 HydrophobicContact CG2-CG 4.47Å; V66-R116 HydrophobicContact CG1-CB 3.93Å; V66-P118 WeakPolarHBondContact O-CB 3.24Å; V66-F121 HydrophobicContact CB-CB 4.28Å; V66-F121 HydrophobicContact CB-CD1 4.02Å; V66-F121 HydrophobicContact CB-CG 4.13Å; V66-F121 HydrophobicContact CG1-CB 3.81Å; V66-F121 HydrophobicContact CG1-CD1 4.42Å; V66-F121 HydrophobicContact CG1-CG 4.03Å; V66-F121 HydrophobicContact CG2-CB 4.4Å; V66-F121 HydrophobicContact CG2-CD1 3.49Å; V66-F121 VanDerWaalsContact CG2-CD1 3.49Å; V66-F121 HydrophobicContact CG2-CD2 4.13Å; V66-F121 HydrophobicContact CG2-CE1 3.65Å; V66-F121 HydrophobicContact CG2-CE2 4.26Å; V66-F121 HydrophobicContact CG2-CG 3.73Å; V66-F121 HydrophobicContact CG2-CZ 4.04Å; V66-W151 HydrophobicContact CG1-CZ2 4.17Å; V66-W151 HydrophobicContact CG2-CH2 4.19Å; V66-W151 HydrophobicContact CG2-CZ2 4.42Å
67	G	93	Very high	89.3	Confident	36 Å²	36	55.6 Å²	55.6	37%	0.371	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	20.8	180	0	0	0	0	0	114.5	F114 R116	G67-F114 PolarHBondContact N-O 2.82Å; G67-R116 VanDerWaalsContact CA-O 3.29Å; G67-R116 WeakPolarHBondContact CA-O 3.41Å; G67-R116 PolarHBondContact N-O 2.9Å
68	G	92.1	Very high	90.7	Very high	52 Å²	52	49.8 Å²	49.8	54%	0.536	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	-14.9	-175.5	0	0	0	0	0	114.9	N65 V66	N65-G68 VanDerWaalsContact OD1-C 3.28Å; N65-G68 WeakPolarHBondContact OD1-CA 3.45Å; N65-G68 PolarHBondContact OD1-N 2.66Å; V66-G68 PolarHBondContact O-N 3.12Å; V66-G68 VanDerWaalsContact O-N 3.07Å
69	E	95.1	Very high	91.8	Very high	83 Å²	83	49 Å²	49	39%	0.388	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.1	174.1	-70.8	-174.2	-166	0	0	110.4	N65 V66 H71 P118	N65-E69 CarbonylContact C-O 3.57Å; N65-E69 WeakPolarHBondContact CA-O 3.48Å; V66-E69 PolarHBondContact N-O 3.31Å; V66-E69 PolarHBondContact O-N 3.35Å; E69-H71 PolarHBondContact O-CD2 3.17Å; E69-P118 HydrophobicContact CB-CB 3.91Å; E69-P118 VanDerWaalsContact CD-CB 3.47Å; E69-P118 HydrophobicContact CG-CB 3.74Å; E69-P118 HydrophobicContact CG-CG 4.45Å
70	I	95	Very high	92.5	Very high	103 Å²	103	52.8 Å²	52.8	53%	0.528	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.8	-178.7	-55.3	175.6	0	0	0	109.4	L63 N65	L63-I70 HydrophobicContact CB-CG2 4.29Å; L63-I70 HydrophobicContact CD2-CG2 3.98Å; N65-I70 HydrophobicContact CB-CG1 4.35Å
71	H	94.5	Very high	92.6	Very high	24 Å²	24	49 Å²	49	11%	0.111	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.7	174.7	-56.5	-89	0	0	0	110.4	L64 E69 F121 S122 L125	L64-H71 HydrophobicContact CB-CB 4.44Å; L64-H71 PolarHBondContact N-O 3.39Å; L64-H71 PolarHBondContact O-N 3.39Å; E69-H71 PolarHBondContact O-CD2 3.17Å; H71-F121 HydrophobicContact CB-CE1 4.23Å; H71-F121 AromaticContact CD2-CD1 3.55Å; H71-F121 AromaticContact CD2-CE1 3.7Å; H71-F121 AromaticContact CG-CE1 3.91Å; H71-F121 AromaticContact NE2-CD1 3.6Å; H71-S122 PolarHBondContact CE1-OG 3.5Å; H71-L125 HydrophobicContact CB-CD2 3.81Å
72	E	93.7	Very high	92.4	Very high	97 Å²	97	47 Å²	47	45%	0.453	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.9	172.1	-169.3	-178.9	176.1	0	0	110.3	R61 L63 R129	R61-E72 HydrophobicContact CB-CG 4.36Å; R61-E72 WeakPolarHBondContact CD-OE1 3.28Å; R61-E72 IonicContact CZ-OE1 3.64Å; R61-E72 IonicContact NE-OE1 3.69Å; R61-E72 IonicContact NH1-OE1 2.78Å; R61-E72 PolarHBondContact NH1-OE1 2.94Å; R61-E72 IonicContact NH1-OE2 3.84Å; L63-E72 HydrophobicContact CD2-CB 3.89Å; L63-E72 HydrophobicContact CD2-CG 3.91Å; E72-R129 PolarHBondContact O-NH2 2.93Å; E72-R129 VanDerWaalsContact O-NH2 3.17Å
73	V	92.8	Very high	92.2	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.036	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.1	-175.8	-57.3	0	0	0	0	110.9	R61 V62 L64 L78 L125	R61-V73 CarbonylContact C-O 3.53Å; R61-V73 WeakPolarHBondContact CA-O 3.49Å; V62-V73 HydrophobicContact CG1-CG2 3.39Å; V62-V73 PolarHBondContact N-O 3.36Å; V62-V73 PolarHBondContact O-N 3.03Å; L64-V73 HydrophobicContact CD1-CG2 4.04Å; L64-V73 HydrophobicContact CG-CG2 4.31Å; V73-L78 HydrophobicContact CG2-CD2 4.04Å; V73-L125 HydrophobicContact CG1-CD1 3.5Å; V73-L125 HydrophobicContact CG1-CD2 3.71Å; V73-L125 HydrophobicContact CG1-CG 4.18Å
74	L	92.3	Very high	92.2	Very high	81 Å²	81	49.6 Å²	49.6	42%	0.424	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	139.5	171.4	-65.2	165.4	0	0	0	109.2	V60 R61 S76 T77	V60-L74 HydrophobicContact CG1-CD2 3.82Å; V60-L74 WeakPolarHBondContact O-CA 3.28Å; R61-L74 HydrophobicContact CG-CD2 4.32Å; L74-S76 PolarHBondContact O-N 2.91Å; L74-T77 VanDerWaalsContact O-CB 3.31Å; L74-T77 WeakPolarHBondContact O-CB 3.47Å; L74-T77 PolarHBondContact O-N 3.28Å
75	W	89.9	Confident	92.1	Very high	11 Å²	11	52 Å²	52	4%	0.042	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.9	-34.7	178.4	-173.2	-113	0	0	0	111.7	S59 V60 V62 T77 L78 Y90 Y112	S59-W75 WeakPolarHBondContact O-CB 3.42Å; V60-W75 PolarHBondContact O-N 3.37Å; V62-W75 HydrophobicContact CB-CE3 3.62Å; V62-W75 HydrophobicContact CB-CZ3 3.96Å; V62-W75 HydrophobicContact CG1-CE3 3.67Å; V62-W75 HydrophobicContact CG1-CZ3 4.18Å; V62-W75 HydrophobicContact CG2-CE3 4.03Å; V62-W75 HydrophobicContact CG2-CZ3 3.83Å; W75-T77 VanDerWaalsContact C-N 3.3Å; W75-T77 PolarHBondContact O-N 2.68Å; W75-L78 HydrophobicContact CE3-CD1 3.92Å; W75-L78 HydrophobicContact CZ3-CD1 3.85Å; W75-L78 PolarHBondContact O-N 3.05Å; W75-Y90 AromaticContact CD1-CD2 3.76Å; W75-Y90 AromaticContact CD1-CE2 3.4Å; W75-Y90 HydrophobicContact CD2-CD2 4.22Å; W75-Y90 AromaticContact CE2-CD2 3.75Å; W75-Y90 HydrophobicContact CG-CD2 4.22Å; W75-Y90 HydrophobicContact CG-CE2 4.17Å; W75-Y90 HydrophobicContact CZ2-CD2 4.3Å; W75-Y90 AromaticContact NE1-CD2 3.4Å; W75-Y90 AromaticContact NE1-CE2 3.33Å; W75-Y90 VanDerWaalsContact NE1-CE2 3.33Å; W75-Y90 VanDerWaalsContact O-CD2 3.28Å; W75-Y90 WeakPolarHBondContact O-CD2 3.32Å; W75-Y90 WeakPolarHBondContact O-CE2 3.41Å; W75-Y112 HydrophobicContact CH2-CE2 4.47Å; W75-Y112 HydrophobicContact CZ3-CE2 4.04Å
76	S	90.3	Very high	92	Very high	79 Å²	79	50.9 Å²	50.9	55%	0.552	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64.9	-28.2	175.8	54.1	0	0	0	0	114	L74 L78 N79	L74-S76 PolarHBondContact O-N 2.91Å; S76-L78 PolarHBondContact O-N 2.89Å; S76-N79 PolarHBondContact O-N 2.95Å; S76-N79 VanDerWaalsContact O-N 3.16Å
77	T	92.1	Very high	91.8	Very high	26 Å²	26	51 Å²	51	16%	0.16	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-63.7	-28.2	179.4	-59.5	0	0	0	0	112	L74 W75 N79 Y128 R129	L74-T77 VanDerWaalsContact O-CB 3.31Å; L74-T77 WeakPolarHBondContact O-CB 3.47Å; L74-T77 PolarHBondContact O-N 3.28Å; W75-T77 VanDerWaalsContact C-N 3.3Å; W75-T77 PolarHBondContact O-N 2.68Å; T77-N79 PolarHBondContact O-N 3.15Å; T77-Y128 WeakPolarHBondContact O-CD1 3.37Å; T77-R129 HydrophobicContact CG2-CG 4.24Å
78	L	91.5	Very high	91.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-68.4	-24.3	178.8	-55.9	-171.2	0	0	0	112.8	V62 L64 V73 W75 S76 Y80 L86 C87 Y90	V62-L78 HydrophobicContact CG1-CD1 4.05Å; V62-L78 HydrophobicContact CG1-CG 4.5Å; L64-L78 HydrophobicContact CD1-CD2 4.08Å; V73-L78 HydrophobicContact CG2-CD2 4.04Å; W75-L78 HydrophobicContact CE3-CD1 3.92Å; W75-L78 HydrophobicContact CZ3-CD1 3.85Å; W75-L78 PolarHBondContact O-N 3.05Å; S76-L78 PolarHBondContact O-N 2.89Å; L78-Y80 PolarHBondContact O-N 3.02Å; L78-Y80 VanDerWaalsContact O-N 3.17Å; L78-L86 HydrophobicContact CD2-CB 4.13Å; L78-L86 HydrophobicContact CD2-CD1 4.07Å; L78-L86 HydrophobicContact CD2-CD2 4.43Å; L78-L86 HydrophobicContact CD2-CG 4.45Å; L78-C87 WeakPolarHBondContact O-CA 3.18Å; L78-C87 WeakPolarHBondContact O-CB 3.37Å; L78-C87 PolarHBondContact O-N 2.86Å; L78-Y90 HydrophobicContact CB-CD2 4.36Å
79	N	91.3	Very high	91.8	Very high	74 Å²	74	53.2 Å²	53.2	40%	0.396	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-83.9	26.5	-178.4	-168.2	38.2	0	0	0	113.5	S76 T77 Y90 H91	S76-N79 PolarHBondContact O-N 2.95Å; S76-N79 VanDerWaalsContact O-N 3.16Å; T77-N79 PolarHBondContact O-N 3.15Å; N79-Y90 HydrophobicContact CB-CD1 3.82Å; N79-Y90 HydrophobicContact CB-CD2 4.15Å; N79-Y90 HydrophobicContact CB-CE1 3.79Å; N79-Y90 HydrophobicContact CB-CE2 4.1Å; N79-Y90 HydrophobicContact CB-CG 4.01Å; N79-H91 PolarHBondContact OD1-NE2 2.85Å
80	Y	88.8	Confident	91.6	Very high	113 Å²	113	51.9 Å²	51.9	44%	0.443	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-80.4	-45.7	-177.1	-175.7	-109.3	0	0	0	112.8	L78 F127 G131	L78-Y80 PolarHBondContact O-N 3.02Å; L78-Y80 VanDerWaalsContact O-N 3.17Å; Y80-F127 HydrophobicContact CD1-CE1 4.45Å; Y80-F127 HydrophobicContact CE1-CE1 4.24Å; Y80-F127 HydrophobicContact CE1-CE2 4.3Å; Y80-F127 HydrophobicContact CE1-CZ 4.03Å; Y80-G131 WeakPolarHBondContact OH-CA 2.94Å
81	M	87.5	Confident	91.3	Very high	26 Å²	26	51.9 Å²	51.9	13%	0.128	26%	0.26	C	S	.	.			trans	-123.8	105.6	-171.4	-176.6	65.5	76.7	0	0	111.3	T83 S84 C87 F127 F157	M81-T83 VanDerWaalsContact C-N 3.26Å; M81-T83 PolarHBondContact O-N 3.45Å; M81-T83 VanDerWaalsContact O-N 3.1Å; M81-S84 WeakPolarHBondContact O-CB 3.44Å; M81-S84 PolarHBondContact O-N 3.28Å; M81-S84 PolarHBondContact O-OG 3.14Å; M81-C87 WeakPolarHBondContact O-CB 3.49Å; M81-F127 HydrophobicContact CE-CE1 3.89Å; M81-F127 HydrophobicContact CE-CZ 3.63Å; M81-F157 HydrophobicContact CE-CD1 4.3Å; M81-F157 HydrophobicContact CE-CD2 4.06Å; M81-F157 HydrophobicContact CE-CE1 3.73Å; M81-F157 HydrophobicContact CE-CE2 3.46Å; M81-F157 VanDerWaalsContact CE-CE2 3.46Å; M81-F157 HydrophobicContact CE-CG 4.47Å; M81-F157 HydrophobicContact CE-CZ 3.28Å; M81-F157 HydrophobicContact SD-CE2 4.31Å; M81-F157 HydrophobicContact SD-CZ 4.11Å
82	P	86.4	Confident	91	Very high	101 Å²	101	51 Å²	51	66%	0.656	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.5	-171.7	-29.1	35.8	0	0	0	115.8	S84	P82-S84 VanDerWaalsContact C-N 3.28Å; P82-S84 PolarHBondContact O-N 3.13Å
83	T	87.4	Confident	90.5	Very high	105 Å²	105	50.3 Å²	50.3	64%	0.644	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.4	-178.6	54.9	0	0	0	0	113.6	M81	M81-T83 VanDerWaalsContact C-N 3.26Å; M81-T83 PolarHBondContact O-N 3.45Å; M81-T83 VanDerWaalsContact O-N 3.1Å
84	S	93.2	Very high	90.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-81.9	157.2	-169.7	87.4	0	0	0	0	113.4	M81 P82 L86 C87 R88 Y128 W151	M81-S84 WeakPolarHBondContact O-CB 3.44Å; M81-S84 PolarHBondContact O-N 3.28Å; M81-S84 PolarHBondContact O-OG 3.14Å; P82-S84 VanDerWaalsContact C-N 3.28Å; P82-S84 PolarHBondContact O-N 3.13Å; S84-L86 VanDerWaalsContact C-N 3.3Å; S84-L86 PolarHBondContact O-N 3.41Å; S84-C87 PolarHBondContact O-N 2.73Å; S84-C87 PolarHBondContact OG-N 2.89Å; S84-C87 VanDerWaalsContact OG-N 3.16Å; S84-R88 WeakPolarHBondContact O-CG 3.46Å; S84-R88 PolarHBondContact O-N 3.03Å; S84-Y128 WeakPolarHBondContact CB-OH 3.26Å; S84-Y128 PolarHBondContact OG-OH 3.02Å; S84-W151 WeakPolarHBondContact CA-O 3.47Å; S84-W151 WeakPolarHBondContact CB-O 3.41Å
85	R	94.4	Very high	89.8	Confident	52 Å²	52	51.4 Å²	51.4	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-40	178	-177.6	174.2	-71.2	-98.5	-2.4	111.9	R88 L89 L101 Y150 W151	R85-R88 PolarHBondContact O-N 3.24Å; R85-L89 PolarHBondContact O-N 3.32Å; R85-L101 WeakPolarHBondContact CD-O 3.45Å; R85-L101 HydrophobicContact CG-CD2 4.35Å; R85-L101 PolarHBondContact NH1-O 3.46Å; R85-Y150 VanDerWaalsContact CZ-CE2 3.46Å; R85-Y150 PolarHBondContact NE-O 3.07Å; R85-W151 HydrophobicContact CB-CE3 4.49Å; R85-W151 PolarHBondContact N-O 2.88Å
86	L	94.3	Very high	89.7	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.2	-35.7	179.6	-68	-177.3	0	0	0	112.6	L64 L78 S84 L89 Y90 F114 F121 Y128 W151	L64-L86 HydrophobicContact CD1-CD1 4.4Å; L64-L86 HydrophobicContact CD1-CD2 4.13Å; L78-L86 HydrophobicContact CD2-CB 4.13Å; L78-L86 HydrophobicContact CD2-CD1 4.07Å; L78-L86 HydrophobicContact CD2-CD2 4.43Å; L78-L86 HydrophobicContact CD2-CG 4.45Å; S84-L86 VanDerWaalsContact C-N 3.3Å; S84-L86 PolarHBondContact O-N 3.41Å; L86-L89 HydrophobicContact CD2-CD2 4.49Å; L86-L89 WeakPolarHBondContact O-CB 3.29Å; L86-L89 PolarHBondContact O-N 3.33Å; L86-Y90 PolarHBondContact O-N 3.37Å; L86-F114 HydrophobicContact CD2-CZ 4.28Å; L86-F121 HydrophobicContact CD1-CE2 4.03Å; L86-F121 HydrophobicContact CD1-CZ 4.14Å; L86-Y128 HydrophobicContact CB-CE1 3.93Å; L86-Y128 HydrophobicContact CD1-CD2 4.29Å; L86-Y128 HydrophobicContact CD1-CE1 4.2Å; L86-Y128 HydrophobicContact CD1-CE2 3.89Å; L86-W151 HydrophobicContact CD2-CE3 4.27Å; L86-W151 HydrophobicContact CD2-CZ3 3.8Å; L86-W151 HydrophobicContact CG-CE3 4.12Å; L86-W151 HydrophobicContact CG-CZ3 4.16Å
87	C	93	Very high	89.6	Confident	1 Å²	1	56 Å²	56	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-70.3	-36.5	174.8	-167.6	0	0	0	0	111.7	L78 M81 S84 L89 Y90 H91	L78-C87 WeakPolarHBondContact O-CA 3.18Å; L78-C87 WeakPolarHBondContact O-CB 3.37Å; L78-C87 PolarHBondContact O-N 2.86Å; M81-C87 WeakPolarHBondContact O-CB 3.49Å; S84-C87 PolarHBondContact O-N 2.73Å; S84-C87 PolarHBondContact OG-N 2.89Å; S84-C87 VanDerWaalsContact OG-N 3.16Å; C87-L89 VanDerWaalsContact C-N 3.25Å; C87-L89 PolarHBondContact O-N 3.37Å; C87-Y90 WeakPolarHBondContact O-CB 3.46Å; C87-Y90 PolarHBondContact O-N 3.35Å; C87-H91 PolarHBondContact O-CD2 3.48Å; C87-H91 VanDerWaalsContact O-CD2 3.22Å; C87-H91 PolarHBondContact O-N 3.48Å
88	R	92.4	Very high	89.5	Confident	134 Å²	134	54.8 Å²	54.8	51%	0.506	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-37	170.9	-69.5	173.1	61.6	-168.2	-2.6	111.7	S84 R85 H91 A92 L101	S84-R88 WeakPolarHBondContact O-CG 3.46Å; S84-R88 PolarHBondContact O-N 3.03Å; R85-R88 PolarHBondContact O-N 3.24Å; R88-H91 PolarHBondContact O-N 2.77Å; R88-A92 PolarHBondContact O-N 3.2Å; R88-A92 VanDerWaalsContact O-N 3.1Å; R88-L101 HydrophobicContact CB-CD1 3.93Å; R88-L101 HydrophobicContact CB-CD2 4.17Å
89	L	92.3	Very high	89.5	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-40	174.7	-170.2	68.3	0	0	0	111.8	R85 L86 C87 H91 A92 I98 L101 Y112 F114	R85-L89 PolarHBondContact O-N 3.32Å; L86-L89 HydrophobicContact CD2-CD2 4.49Å; L86-L89 WeakPolarHBondContact O-CB 3.29Å; L86-L89 PolarHBondContact O-N 3.33Å; C87-L89 VanDerWaalsContact C-N 3.25Å; C87-L89 PolarHBondContact O-N 3.37Å; L89-H91 VanDerWaalsContact C-N 3.27Å; L89-H91 PolarHBondContact O-N 2.77Å; L89-A92 WeakPolarHBondContact O-CB 3.3Å; L89-A92 PolarHBondContact O-N 3.17Å; L89-A92 VanDerWaalsContact O-N 3.16Å; L89-I98 HydrophobicContact CD1-CG1 4.44Å; L89-I98 HydrophobicContact CD1-CG2 4.2Å; L89-L101 HydrophobicContact CB-CD1 4.24Å; L89-L101 HydrophobicContact CD1-CB 4.22Å; L89-L101 HydrophobicContact CD1-CD1 4.2Å; L89-Y112 HydrophobicContact CD1-CD1 3.8Å; L89-Y112 HydrophobicContact CD1-CE1 3.64Å; L89-Y112 HydrophobicContact CD2-CD1 3.75Å; L89-Y112 HydrophobicContact CD2-CD2 4.32Å; L89-Y112 HydrophobicContact CD2-CE1 4.01Å; L89-Y112 HydrophobicContact CD2-CG 3.91Å; L89-Y112 HydrophobicContact CG-CD1 4.19Å; L89-Y112 HydrophobicContact CG-CE1 4Å; L89-F114 HydrophobicContact CD2-CZ 4.14Å
90	Y	90.3	Very high	89.5	Confident	56 Å²	56	58.8 Å²	58.8	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-39.5	174.4	175.5	-93.6	0	0	0	112.5	W75 L78 N79 L86 C87	W75-Y90 AromaticContact CD1-CD2 3.76Å; W75-Y90 AromaticContact CD1-CE2 3.4Å; W75-Y90 HydrophobicContact CD2-CD2 4.22Å; W75-Y90 AromaticContact CE2-CD2 3.75Å; W75-Y90 HydrophobicContact CG-CD2 4.22Å; W75-Y90 HydrophobicContact CG-CE2 4.17Å; W75-Y90 HydrophobicContact CZ2-CD2 4.3Å; W75-Y90 AromaticContact NE1-CD2 3.4Å; W75-Y90 AromaticContact NE1-CE2 3.33Å; W75-Y90 VanDerWaalsContact NE1-CE2 3.33Å; W75-Y90 VanDerWaalsContact O-CD2 3.28Å; W75-Y90 WeakPolarHBondContact O-CD2 3.32Å; W75-Y90 WeakPolarHBondContact O-CE2 3.41Å; L78-Y90 HydrophobicContact CB-CD2 4.36Å; N79-Y90 HydrophobicContact CB-CD1 3.82Å; N79-Y90 HydrophobicContact CB-CD2 4.15Å; N79-Y90 HydrophobicContact CB-CE1 3.79Å; N79-Y90 HydrophobicContact CB-CE2 4.1Å; N79-Y90 HydrophobicContact CB-CG 4.01Å; L86-Y90 PolarHBondContact O-N 3.37Å; C87-Y90 WeakPolarHBondContact O-CB 3.46Å; C87-Y90 PolarHBondContact O-N 3.35Å
91	H	89.1	Confident	89.7	Confident	103 Å²	103	53.6 Å²	53.6	48%	0.477	29%	0.288	S	S	.	.	H	α-helix	trans	-84.6	-11.1	178.5	-67.4	-63.3	0	0	0	114.6	N79 C87 R88 L89 T93	N79-H91 PolarHBondContact OD1-NE2 2.85Å; C87-H91 PolarHBondContact O-CD2 3.48Å; C87-H91 VanDerWaalsContact O-CD2 3.22Å; C87-H91 PolarHBondContact O-N 3.48Å; R88-H91 PolarHBondContact O-N 2.77Å; L89-H91 VanDerWaalsContact C-N 3.27Å; L89-H91 PolarHBondContact O-N 2.77Å; H91-T93 PolarHBondContact O-N 3.49Å
92	A	88.1	Confident	90	Very high	5 Å²	5	52.6 Å²	52.6	4%	0.041	28%	0.284	C	S	.	.			trans	-64.4	117.5	-174.6	0	0	0	0	0	112.9	R56 R88 L89 T97 I98 L101	R56-A92 PolarHBondContact NH1-O 3.05Å; R56-A92 PolarHBondContact NH2-O 3.13Å; R88-A92 PolarHBondContact O-N 3.2Å; R88-A92 VanDerWaalsContact O-N 3.1Å; L89-A92 WeakPolarHBondContact O-CB 3.3Å; L89-A92 PolarHBondContact O-N 3.17Å; L89-A92 VanDerWaalsContact O-N 3.16Å; A92-T97 HydrophobicContact CB-CG2 3.82Å; A92-I98 HydrophobicContact CB-CG1 3.87Å; A92-L101 HydrophobicContact CB-CD1 4.42Å
93	T	83.7	Confident	90.3	Very high	83 Å²	83	52.2 Å²	52.2	51%	0.509	28%	0.276	S	S	.	.			trans	-94.3	-36.2	-177.2	50	0	0	0	0	113.3	P53 R56 H91	P53-T93 VanDerWaalsContact CG-O 3.29Å; P53-T93 WeakPolarHBondContact CG-O 3.41Å; R56-T93 PolarHBondContact NH2-O 3.14Å; H91-T93 PolarHBondContact O-N 3.49Å
94	S	85	Confident	90.5	Very high	44 Å²	44	51.9 Å²	51.9	31%	0.308	27%	0.271	S	S	.	.	S	Bend	trans	-99.1	154.4	179.7	71.2	0	0	0	0	112.5	D96 T97 I98	S94-D96 VanDerWaalsContact C-N 3.29Å; S94-D96 PolarHBondContact O-N 2.97Å; S94-T97 PolarHBondContact O-N 2.97Å; S94-T97 WeakPolarHBondContact OG-CB 3.48Å; S94-T97 PolarHBondContact OG-N 2.96Å; S94-T97 PolarHBondContact OG-OG1 2.85Å; S94-I98 WeakPolarHBondContact O-CG1 3.48Å; S94-I98 PolarHBondContact O-N 3.48Å; S94-I98 VanDerWaalsContact O-N 3.14Å
95	I	85	Confident	90.5	Very high	65 Å²	65	52.9 Å²	52.9	33%	0.333	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-37.8	175.7	-65	170.3	0	0	0	110.5	T50 T97 I98 L99	T50-I95 HydrophobicContact CG2-CD1 3.6Å; I95-T97 VanDerWaalsContact C-N 3.31Å; I95-T97 PolarHBondContact O-N 3.45Å; I95-I98 WeakPolarHBondContact O-CB 3.13Å; I95-I98 PolarHBondContact O-N 2.89Å; I95-I98 VanDerWaalsContact O-N 3.12Å; I95-L99 HydrophobicContact CG2-CD1 3.83Å; I95-L99 HydrophobicContact CG2-CG 4.18Å; I95-L99 WeakPolarHBondContact O-CG 3.42Å; I95-L99 PolarHBondContact O-N 2.87Å
96	D	86.8	Confident	90.2	Very high	129 Å²	129	52.5 Å²	52.5	69%	0.69	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-39.6	176.9	-58.4	-52	0	0	0	111.9	S94 I98 S100	S94-D96 VanDerWaalsContact C-N 3.29Å; S94-D96 PolarHBondContact O-N 2.97Å; D96-I98 VanDerWaalsContact C-N 3.35Å; D96-S100 WeakPolarHBondContact O-CB 3.43Å; D96-S100 PolarHBondContact O-N 3.31Å
97	T	89.7	Confident	89.6	Confident	58 Å²	58	54.3 Å²	54.3	36%	0.356	29%	0.289	S	S	.	.	H	α-helix	trans	-67.2	-37.1	174.7	-57.5	0	0	0	0	111.6	A92 S94 I95 S100 L101	A92-T97 HydrophobicContact CB-CG2 3.82Å; S94-T97 PolarHBondContact O-N 2.97Å; S94-T97 WeakPolarHBondContact OG-CB 3.48Å; S94-T97 PolarHBondContact OG-N 2.96Å; S94-T97 PolarHBondContact OG-OG1 2.85Å; I95-T97 VanDerWaalsContact C-N 3.31Å; I95-T97 PolarHBondContact O-N 3.45Å; T97-S100 PolarHBondContact O-N 3.03Å; T97-S100 PolarHBondContact O-OG 3.28Å; T97-L101 HydrophobicContact CG2-CD1 4.44Å; T97-L101 WeakPolarHBondContact O-CG 3.5Å
98	I	90	Very high	89.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-52	175.1	-67	165.7	0	0	0	110.7	L89 A92 S94 I95 D96 S100 L101 C102 Y105 Y112	L89-I98 HydrophobicContact CD1-CG1 4.44Å; L89-I98 HydrophobicContact CD1-CG2 4.2Å; A92-I98 HydrophobicContact CB-CG1 3.87Å; S94-I98 WeakPolarHBondContact O-CG1 3.48Å; S94-I98 PolarHBondContact O-N 3.48Å; S94-I98 VanDerWaalsContact O-N 3.14Å; I95-I98 WeakPolarHBondContact O-CB 3.13Å; I95-I98 PolarHBondContact O-N 2.89Å; I95-I98 VanDerWaalsContact O-N 3.12Å; D96-I98 VanDerWaalsContact C-N 3.35Å; I98-S100 PolarHBondContact O-N 3.16Å; I98-L101 WeakPolarHBondContact O-CA 3.44Å; I98-L101 WeakPolarHBondContact O-CB 3.49Å; I98-L101 PolarHBondContact O-N 3.05Å; I98-C102 PolarHBondContact O-N 3.32Å; I98-C102 PolarHBondContact O-SG 2.9Å; I98-Y105 HydrophobicContact CD1-CD1 4.41Å; I98-Y105 HydrophobicContact CD1-CE1 4.24Å; I98-Y105 HydrophobicContact CG2-CD1 4.12Å; I98-Y105 HydrophobicContact CG2-CD2 4.31Å; I98-Y105 HydrophobicContact CG2-CG 3.83Å; I98-Y112 HydrophobicContact CG1-CE1 4.47Å; I98-Y112 HydrophobicContact CG2-CD1 3.86Å; I98-Y112 HydrophobicContact CG2-CE1 3.56Å
99	L	91.1	Very high	88.8	Confident	83 Å²	83	63.1 Å²	63.1	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-15.9	180	-66.5	175.2	0	0	0	113.1	I95 L101 C102	I95-L99 HydrophobicContact CG2-CD1 3.83Å; I95-L99 HydrophobicContact CG2-CG 4.18Å; I95-L99 WeakPolarHBondContact O-CG 3.42Å; I95-L99 PolarHBondContact O-N 2.87Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-C102 VanDerWaalsContact O-O 3.08Å
100	S	91.4	Very high	88.5	Confident	76 Å²	76	64 Å²	64	53%	0.531	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-17	169.1	80.1	0	0	0	0	113.6	D96 T97 I98	D96-S100 WeakPolarHBondContact O-CB 3.43Å; D96-S100 PolarHBondContact O-N 3.31Å; T97-S100 PolarHBondContact O-N 3.03Å; T97-S100 PolarHBondContact O-OG 3.28Å; I98-S100 PolarHBondContact O-N 3.16Å
101	L	92.5	Very high	88.6	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-29.2	-175.2	-66	171.5	0	0	0	113.1	R85 R88 L89 A92 T97 I98 L99 F114	R85-L101 WeakPolarHBondContact CD-O 3.45Å; R85-L101 HydrophobicContact CG-CD2 4.35Å; R85-L101 PolarHBondContact NH1-O 3.46Å; R88-L101 HydrophobicContact CB-CD1 3.93Å; R88-L101 HydrophobicContact CB-CD2 4.17Å; L89-L101 HydrophobicContact CB-CD1 4.24Å; L89-L101 HydrophobicContact CD1-CB 4.22Å; L89-L101 HydrophobicContact CD1-CD1 4.2Å; A92-L101 HydrophobicContact CB-CD1 4.42Å; T97-L101 HydrophobicContact CG2-CD1 4.44Å; T97-L101 WeakPolarHBondContact O-CG 3.5Å; I98-L101 WeakPolarHBondContact O-CA 3.44Å; I98-L101 WeakPolarHBondContact O-CB 3.49Å; I98-L101 PolarHBondContact O-N 3.05Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L101-F114 WeakPolarHBondContact O-CE1 3.49Å
102	C	93.1	Very high	88.9	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.034	31%	0.306	C	S	.	.	S	Bend	trans	-127.1	160.9	178.4	66	0	0	0	0	111.7	I98 L99 D104 F113 F114	I98-C102 PolarHBondContact O-N 3.32Å; I98-C102 PolarHBondContact O-SG 2.9Å; L99-C102 VanDerWaalsContact O-O 3.08Å; C102-D104 PolarHBondContact SG-O 2.93Å; C102-D104 VanDerWaalsContact SG-O 3.37Å; C102-F113 WeakPolarHBondContact CB-O 3.38Å; C102-F114 HydrophobicContact CB-CD1 4.06Å; C102-F114 HydrophobicContact CB-CE1 3.59Å; C102-F114 HydrophobicContact CB-CE2 4.37Å; C102-F114 HydrophobicContact CB-CZ 3.77Å
103	D	93.1	Very high	89.2	Confident	93 Å²	93	60.4 Å²	60.4	50%	0.497	32%	0.317	S	S	.	.	S	Bend	trans	-80.2	-29.1	-174.9	-60.9	-61.1	0	0	0	112.8	F113 F114 D115	D103-F113 HydrophobicContact CB-CD1 4.02Å; D103-F113 HydrophobicContact CB-CE1 4.42Å; D103-F113 PolarHBondContact N-O 3.24Å; D103-F114 WeakPolarHBondContact OD2-CA 3.09Å; D103-D115 PolarHBondContact OD2-N 2.82Å
104	D	92.7	Very high	89.8	Confident	98 Å²	98	56.5 Å²	56.5	52%	0.524	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	158	171.8	-156.5	-2.5	0	0	0	110.8	C102 F113	C102-D104 PolarHBondContact SG-O 2.93Å; C102-D104 VanDerWaalsContact SG-O 3.37Å; D104-F113 HydrophobicContact CB-CB 3.94Å; D104-F113 HydrophobicContact CB-CD1 4.19Å; D104-F113 PolarHBondContact N-O 3.48Å; D104-F113 PolarHBondContact O-N 3.33Å
105	Y	91.6	Very high	90.3	Very high	21 Å²	21	60.2 Å²	60.2	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	123.9	177.2	176.2	-121	0	0	0	110.9	R56 I98 P107 N110 M111 Y112	R56-Y105 WeakPolarHBondContact CD-OH 3.35Å; I98-Y105 HydrophobicContact CD1-CD1 4.41Å; I98-Y105 HydrophobicContact CD1-CE1 4.24Å; I98-Y105 HydrophobicContact CG2-CD1 4.12Å; I98-Y105 HydrophobicContact CG2-CD2 4.31Å; I98-Y105 HydrophobicContact CG2-CG 3.83Å; Y105-P107 HydrophobicContact CD1-CG 4.13Å; Y105-P107 HydrophobicContact CE1-CB 4.14Å; Y105-P107 HydrophobicContact CE1-CG 4.02Å; Y105-P107 WeakPolarHBondContact O-CD 3.42Å; Y105-N110 PolarHBondContact OH-OD1 3.44Å; Y105-M111 WeakPolarHBondContact CD2-O 3.41Å; Y105-Y112 AromaticContact CD2-CD1 3.4Å; Y105-Y112 HydrophobicContact CD2-CD1 3.4Å; Y105-Y112 HydrophobicContact CD2-CD2 4.23Å; Y105-Y112 AromaticContact CD2-CE1 3.35Å; Y105-Y112 HydrophobicContact CD2-CE1 3.35Å; Y105-Y112 HydrophobicContact CD2-CE2 4.16Å; Y105-Y112 AromaticContact CD2-CG 3.87Å; Y105-Y112 HydrophobicContact CD2-CG 3.87Å; Y105-Y112 AromaticContact CD2-CZ 3.76Å; Y105-Y112 AromaticContact CE2-CD1 3.88Å; Y105-Y112 HydrophobicContact CE2-CD1 3.88Å; Y105-Y112 HydrophobicContact CE2-CD2 4.13Å; Y105-Y112 AromaticContact CE2-CE1 3.41Å; Y105-Y112 HydrophobicContact CE2-CE1 3.41Å; Y105-Y112 VanDerWaalsContact CE2-CE1 3.41Å; Y105-Y112 AromaticContact CE2-CE2 3.66Å; Y105-Y112 HydrophobicContact CE2-CE2 3.66Å; Y105-Y112 HydrophobicContact CE2-CG 4.22Å; Y105-Y112 AromaticContact CE2-CZ 3.28Å; Y105-Y112 HydrophobicContact CG-CD1 4.21Å; Y105-Y112 HydrophobicContact CG-CE1 4.14Å
106	D	88.5	Confident	90.8	Very high	44 Å²	44	59.7 Å²	59.7	24%	0.235	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	106.1	173.9	179	-4.5	0	0	0	110	E108 R109 N110 M111	D106-E108 VanDerWaalsContact C-N 3.31Å; D106-E108 PolarHBondContact O-N 3.46Å; D106-E108 WeakPolarHBondContact OD1-CB 3.31Å; D106-E108 PolarHBondContact OD1-N 3.2Å; D106-R109 PolarHBondContact OD1-N 2.67Å; D106-R109 WeakPolarHBondContact OD2-CB 3.29Å; D106-R109 VanDerWaalsContact OD2-CD 3.28Å; D106-R109 WeakPolarHBondContact OD2-CD 3.41Å; D106-R109 VanDerWaalsContact OD2-CG 3.28Å; D106-R109 WeakPolarHBondContact OD2-CG 3.43Å; D106-R109 IonicContact OD2-NE 2.72Å; D106-N110 WeakPolarHBondContact O-CA 3.39Å; D106-N110 PolarHBondContact O-N 3.34Å; D106-M111 HydrophobicContact CB-CB 4.34Å; D106-M111 HydrophobicContact CB-CE 4.4Å; D106-M111 PolarHBondContact N-O 3.29Å; D106-M111 PolarHBondContact O-N 3.18Å; D106-M111 VanDerWaalsContact O-N 3.08Å
107	P	83.2	Confident	90.9	Very high	39 Å²	39	57.6 Å²	57.6	25%	0.253	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.6	-179.6	-18	32.6	0	0	0	113.6	Y105	Y105-P107 HydrophobicContact CD1-CG 4.13Å; Y105-P107 HydrophobicContact CE1-CB 4.14Å; Y105-P107 HydrophobicContact CE1-CG 4.02Å; Y105-P107 WeakPolarHBondContact O-CD 3.42Å
108	E	82.9	Confident	91.1	Very high	149 Å²	149	56.2 Å²	56.2	70%	0.696	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-45.3	-177.6	-64.1	-176.2	176.7	0	0	110.1	D106	D106-E108 VanDerWaalsContact C-N 3.31Å; D106-E108 PolarHBondContact O-N 3.46Å; D106-E108 WeakPolarHBondContact OD1-CB 3.31Å; D106-E108 PolarHBondContact OD1-N 3.2Å
109	R	84.7	Confident	91.1	Very high	171 Å²	171	60 Å²	60	65%	0.645	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.2	179.6	-62.1	-176.5	-178.5	-166.3	-1	114	D106 M111	D106-R109 PolarHBondContact OD1-N 2.67Å; D106-R109 WeakPolarHBondContact OD2-CB 3.29Å; D106-R109 VanDerWaalsContact OD2-CD 3.28Å; D106-R109 WeakPolarHBondContact OD2-CD 3.41Å; D106-R109 VanDerWaalsContact OD2-CG 3.28Å; D106-R109 WeakPolarHBondContact OD2-CG 3.43Å; D106-R109 IonicContact OD2-NE 2.72Å; R109-M111 VanDerWaalsContact C-N 3.26Å; R109-M111 HydrophobicContact CB-CB 4.03Å; R109-M111 PolarHBondContact O-N 3.18Å
110	N	86.1	Confident	91.2	Very high	18 Å²	18	56 Å²	56	10%	0.096	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	48.6	-167.7	-165.3	32.4	0	0	0	111.7	S59 Y105 D106	S59-N110 PolarHBondContact OG-ND2 3.08Å; Y105-N110 PolarHBondContact OH-OD1 3.44Å; D106-N110 WeakPolarHBondContact O-CA 3.39Å; D106-N110 PolarHBondContact O-N 3.34Å
111	M	92.4	Very high	91.3	Very high	29 Å²	29	52.4 Å²	52.4	14%	0.143	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.2	-174.5	-178	179.5	67.5	0	0	110.7	L63 N65 Y105 D106 R109	L63-M111 HydrophobicContact CB-CB 3.98Å; L63-M111 HydrophobicContact CB-CG 3.88Å; L63-M111 WeakPolarHBondContact O-CA 3.27Å; N65-M111 HydrophobicContact CB-CG 4.22Å; N65-M111 HydrophobicContact CB-SD 4.12Å; Y105-M111 WeakPolarHBondContact CD2-O 3.41Å; D106-M111 HydrophobicContact CB-CB 4.34Å; D106-M111 HydrophobicContact CB-CE 4.4Å; D106-M111 PolarHBondContact N-O 3.29Å; D106-M111 PolarHBondContact O-N 3.18Å; D106-M111 VanDerWaalsContact O-N 3.08Å; R109-M111 VanDerWaalsContact C-N 3.26Å; R109-M111 HydrophobicContact CB-CB 4.03Å; R109-M111 PolarHBondContact O-N 3.18Å
112	Y	94.4	Very high	91.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.2	179.5	-58.7	-96.2	0	0	0	109.6	V62 L63 L64 N65 W75 L89 I98 Y105	V62-Y112 HydrophobicContact CG2-CD2 3.53Å; V62-Y112 HydrophobicContact CG2-CE2 3.43Å; V62-Y112 VanDerWaalsContact CG2-CE2 3.43Å; L63-Y112 PolarHBondContact O-N 3.43Å; L64-Y112 HydrophobicContact CD2-CD2 4.11Å; L64-Y112 HydrophobicContact CD2-CG 4.43Å; N65-Y112 PolarHBondContact N-O 3.28Å; W75-Y112 HydrophobicContact CH2-CE2 4.47Å; W75-Y112 HydrophobicContact CZ3-CE2 4.04Å; L89-Y112 HydrophobicContact CD1-CD1 3.8Å; L89-Y112 HydrophobicContact CD1-CE1 3.64Å; L89-Y112 HydrophobicContact CD2-CD1 3.75Å; L89-Y112 HydrophobicContact CD2-CD2 4.32Å; L89-Y112 HydrophobicContact CD2-CE1 4.01Å; L89-Y112 HydrophobicContact CD2-CG 3.91Å; L89-Y112 HydrophobicContact CG-CD1 4.19Å; L89-Y112 HydrophobicContact CG-CE1 4Å; I98-Y112 HydrophobicContact CG1-CE1 4.47Å; I98-Y112 HydrophobicContact CG2-CD1 3.86Å; I98-Y112 HydrophobicContact CG2-CE1 3.56Å; Y105-Y112 AromaticContact CD2-CD1 3.4Å; Y105-Y112 HydrophobicContact CD2-CD1 3.4Å; Y105-Y112 HydrophobicContact CD2-CD2 4.23Å; Y105-Y112 AromaticContact CD2-CE1 3.35Å; Y105-Y112 HydrophobicContact CD2-CE1 3.35Å; Y105-Y112 HydrophobicContact CD2-CE2 4.16Å; Y105-Y112 AromaticContact CD2-CG 3.87Å; Y105-Y112 HydrophobicContact CD2-CG 3.87Å; Y105-Y112 AromaticContact CD2-CZ 3.76Å; Y105-Y112 AromaticContact CE2-CD1 3.88Å; Y105-Y112 HydrophobicContact CE2-CD1 3.88Å; Y105-Y112 HydrophobicContact CE2-CD2 4.13Å; Y105-Y112 AromaticContact CE2-CE1 3.41Å; Y105-Y112 HydrophobicContact CE2-CE1 3.41Å; Y105-Y112 VanDerWaalsContact CE2-CE1 3.41Å; Y105-Y112 AromaticContact CE2-CE2 3.66Å; Y105-Y112 HydrophobicContact CE2-CE2 3.66Å; Y105-Y112 HydrophobicContact CE2-CG 4.22Å; Y105-Y112 AromaticContact CE2-CZ 3.28Å; Y105-Y112 HydrophobicContact CG-CD1 4.21Å; Y105-Y112 HydrophobicContact CG-CE1 4.14Å
113	F	95.6	Very high	91.3	Very high	61 Å²	61	55 Å²	55	27%	0.268	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.2	179.3	179	-109.7	0	0	0	111.9	N65 C102 D103 D104 D115	N65-F113 HydrophobicContact CB-CD2 4.09Å; N65-F113 CarbonylContact O-C 3.41Å; N65-F113 VanDerWaalsContact O-CA 3.31Å; N65-F113 WeakPolarHBondContact O-CA 3.46Å; C102-F113 WeakPolarHBondContact CB-O 3.38Å; D103-F113 HydrophobicContact CB-CD1 4.02Å; D103-F113 HydrophobicContact CB-CE1 4.42Å; D103-F113 PolarHBondContact N-O 3.24Å; D104-F113 HydrophobicContact CB-CB 3.94Å; D104-F113 HydrophobicContact CB-CD1 4.19Å; D104-F113 PolarHBondContact N-O 3.48Å; D104-F113 PolarHBondContact O-N 3.33Å; F113-D115 HydrophobicContact CE1-CB 3.97Å; F113-D115 HydrophobicContact CZ-CB 4.16Å
114	F	96.6	Very high	91.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.1	175.1	-57.6	-91.9	0	0	0	109.3	L64 N65 V66 G67 L86 L89 L101 C102 D103 R116 Y150 W151	L64-F114 HydrophobicContact CD2-CE2 4.21Å; N65-F114 PolarHBondContact O-N 3.33Å; V66-F114 CarbonylContact C-O 3.32Å; V66-F114 WeakPolarHBondContact CA-O 3.36Å; V66-F114 HydrophobicContact CG1-CB 4.35Å; V66-F114 HydrophobicContact CG2-CB 4.23Å; V66-F114 HydrophobicContact CG2-CD2 4.01Å; V66-F114 HydrophobicContact CG2-CG 4.47Å; G67-F114 PolarHBondContact N-O 2.82Å; L86-F114 HydrophobicContact CD2-CZ 4.28Å; L89-F114 HydrophobicContact CD2-CZ 4.14Å; L101-F114 WeakPolarHBondContact O-CE1 3.49Å; C102-F114 HydrophobicContact CB-CD1 4.06Å; C102-F114 HydrophobicContact CB-CE1 3.59Å; C102-F114 HydrophobicContact CB-CE2 4.37Å; C102-F114 HydrophobicContact CB-CZ 3.77Å; D103-F114 WeakPolarHBondContact OD2-CA 3.09Å; F114-R116 HydrophobicContact CB-CG 4.13Å; F114-R116 PolarHBondContact O-N 2.9Å; F114-Y150 HydrophobicContact CD1-CE1 4.38Å; F114-W151 HydrophobicContact CB-CH2 3.99Å; F114-W151 HydrophobicContact CB-CZ2 4.43Å; F114-W151 AromaticContact CD1-CH2 3.63Å; F114-W151 HydrophobicContact CD1-CH2 3.63Å; F114-W151 AromaticContact CD1-CZ3 3.96Å; F114-W151 HydrophobicContact CD1-CZ3 3.96Å; F114-W151 AromaticContact CD2-CH2 3.92Å; F114-W151 HydrophobicContact CD2-CH2 3.92Å; F114-W151 HydrophobicContact CE1-CH2 4.01Å; F114-W151 AromaticContact CE1-CZ3 3.87Å; F114-W151 HydrophobicContact CE1-CZ3 3.87Å; F114-W151 HydrophobicContact CE2-CH2 4.29Å; F114-W151 HydrophobicContact CE2-CZ3 4.43Å; F114-W151 AromaticContact CG-CH2 3.57Å; F114-W151 HydrophobicContact CG-CH2 3.57Å; F114-W151 HydrophobicContact CG-CZ2 4.46Å; F114-W151 HydrophobicContact CG-CZ3 4.27Å; F114-W151 HydrophobicContact CZ-CH2 4.32Å; F114-W151 HydrophobicContact CZ-CZ3 4.12Å
115	D	95.1	Very high	91.5	Very high	122 Å²	122	46 Å²	46	65%	0.652	22%	0.219	S	C	*	.			trans	-80.1	64.1	177.2	-167.5	21.7	0	0	0	110.6	D103 F113	D103-D115 PolarHBondContact OD2-N 2.82Å; F113-D115 HydrophobicContact CE1-CB 3.97Å; F113-D115 HydrophobicContact CZ-CB 4.16Å
116	R	94.3	Very high	91.6	Very high	55 Å²	55	49.1 Å²	49.1	21%	0.208	24%	0.235	C	C	.	.	S	Bend	trans	-132	172.7	-171.4	-58.4	-61.5	-63.7	-133.9	-1.5	112.1	V66 G67 F114 P118 T146 E147 Y150 W151	V66-R116 HydrophobicContact CG1-CB 3.93Å; G67-R116 VanDerWaalsContact CA-O 3.29Å; G67-R116 WeakPolarHBondContact CA-O 3.41Å; G67-R116 PolarHBondContact N-O 2.9Å; F114-R116 HydrophobicContact CB-CG 4.13Å; F114-R116 PolarHBondContact O-N 2.9Å; R116-P118 VanDerWaalsContact O-CD 3.26Å; R116-P118 WeakPolarHBondContact O-CD 3.36Å; R116-T146 PolarHBondContact NH2-O 3.32Å; R116-E147 IonicContact CZ-OE1 2.9Å; R116-E147 IonicContact CZ-OE2 2.95Å; R116-E147 IonicContact NE-OE1 3.66Å; R116-E147 PolarHBondContact NE-OE1 3.33Å; R116-E147 VanDerWaalsContact NE-OE1 3.1Å; R116-E147 IonicContact NE-OE2 3.82Å; R116-E147 VanDerWaalsContact NH2-CD 3.32Å; R116-E147 IonicContact NH2-OE1 2.93Å; R116-E147 PolarHBondContact NH2-OE1 2.99Å; R116-E147 IonicContact NH2-OE2 3.52Å; R116-Y150 HydrophobicContact CG-CD1 4.21Å; R116-Y150 HydrophobicContact CG-CE1 3.68Å; R116-Y150 VanDerWaalsContact NH1-CE2 3.28Å; R116-W151 HydrophobicContact CB-CZ2 4.29Å; R116-W151 HydrophobicContact CG-CZ2 4.33Å
117	H	90.6	Very high	91.8	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.389	22%	0.224	S	C	.	.			trans	-73	111.9	-174.8	-165.6	-66.6	0	0	0	111.9	R119 A120 F121	H117-R119 PolarHBondContact ND1-N 2.87Å; H117-R119 PolarHBondContact O-N 3.45Å; H117-A120 HydrophobicContact CB-CB 4.17Å; H117-A120 PolarHBondContact ND1-N 2.95Å; H117-A120 PolarHBondContact O-N 3.06Å; H117-F121 PolarHBondContact O-N 3.38Å
118	P	92.2	Very high	92.3	Very high	29 Å²	29	45.7 Å²	45.7	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-45.2	-171.5	18.4	-29.6	0	0	0	113.2	V66 E69 R116 A120 F121 S122	V66-P118 WeakPolarHBondContact O-CB 3.24Å; E69-P118 HydrophobicContact CB-CB 3.91Å; E69-P118 VanDerWaalsContact CD-CB 3.47Å; E69-P118 HydrophobicContact CG-CB 3.74Å; E69-P118 HydrophobicContact CG-CG 4.45Å; R116-P118 VanDerWaalsContact O-CD 3.26Å; R116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-A120 VanDerWaalsContact C-N 3.33Å; P118-A120 PolarHBondContact O-N 3.25Å; P118-F121 WeakPolarHBondContact O-CB 3.48Å; P118-F121 PolarHBondContact O-N 2.99Å; P118-S122 PolarHBondContact O-N 3.29Å
119	R	91.3	Very high	92.8	Very high	79 Å²	79	44.8 Å²	44.8	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-65.6	-32.7	-178.4	-56.1	-175	-173.1	167.2	4.1	114.2	H117 F121 S122 I139 V538	H117-R119 PolarHBondContact ND1-N 2.87Å; H117-R119 PolarHBondContact O-N 3.45Å; R119-F121 VanDerWaalsContact C-N 3.32Å; R119-S122 PolarHBondContact O-N 2.99Å; R119-I139 HydrophobicContact CB-CD1 4.18Å; R119-V538 VanDerWaalsContact CZ-CB 3.5Å; R119-V538 VanDerWaalsContact CZ-O 3.29Å; R119-V538 PolarHBondContact NH1-O 3.07Å; R119-V538 PolarHBondContact NH2-O 3.26Å
120	A	92.2	Very high	93.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-41.2	177.9	0	0	0	0	0	109.5	H117 P118 S122 S123 I124 I139 F144 E147	H117-A120 HydrophobicContact CB-CB 4.17Å; H117-A120 PolarHBondContact ND1-N 2.95Å; H117-A120 PolarHBondContact O-N 3.06Å; P118-A120 VanDerWaalsContact C-N 3.33Å; P118-A120 PolarHBondContact O-N 3.25Å; A120-S122 VanDerWaalsContact C-N 3.28Å; A120-S122 PolarHBondContact O-N 3.31Å; A120-S123 PolarHBondContact O-N 3.04Å; A120-I124 WeakPolarHBondContact O-CG1 3.33Å; A120-I124 PolarHBondContact O-N 3.03Å; A120-I139 VanDerWaalsContact CA-CD1 3.46Å; A120-I139 HydrophobicContact CB-CD1 3.75Å; A120-F144 HydrophobicContact CB-CD2 4.38Å; A120-E147 HydrophobicContact CB-CB 4.07Å; A120-E147 HydrophobicContact CB-CG 3.67Å
121	F	95	Very high	93.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-34	177.4	-175.1	-105.6	0	0	0	112.9	L64 V66 H71 L86 H117 P118 R119 S123 I124 L125 W151	L64-F121 HydrophobicContact CB-CE1 4.48Å; L64-F121 HydrophobicContact CD1-CE1 4.29Å; L64-F121 HydrophobicContact CD1-CZ 3.74Å; V66-F121 HydrophobicContact CB-CB 4.28Å; V66-F121 HydrophobicContact CB-CD1 4.02Å; V66-F121 HydrophobicContact CB-CG 4.13Å; V66-F121 HydrophobicContact CG1-CB 3.81Å; V66-F121 HydrophobicContact CG1-CD1 4.42Å; V66-F121 HydrophobicContact CG1-CG 4.03Å; V66-F121 HydrophobicContact CG2-CB 4.4Å; V66-F121 HydrophobicContact CG2-CD1 3.49Å; V66-F121 VanDerWaalsContact CG2-CD1 3.49Å; V66-F121 HydrophobicContact CG2-CD2 4.13Å; V66-F121 HydrophobicContact CG2-CE1 3.65Å; V66-F121 HydrophobicContact CG2-CE2 4.26Å; V66-F121 HydrophobicContact CG2-CG 3.73Å; V66-F121 HydrophobicContact CG2-CZ 4.04Å; H71-F121 HydrophobicContact CB-CE1 4.23Å; H71-F121 AromaticContact CD2-CD1 3.55Å; H71-F121 AromaticContact CD2-CE1 3.7Å; H71-F121 AromaticContact CG-CE1 3.91Å; H71-F121 AromaticContact NE2-CD1 3.6Å; L86-F121 HydrophobicContact CD1-CE2 4.03Å; L86-F121 HydrophobicContact CD1-CZ 4.14Å; H117-F121 PolarHBondContact O-N 3.38Å; P118-F121 WeakPolarHBondContact O-CB 3.48Å; P118-F121 PolarHBondContact O-N 2.99Å; R119-F121 VanDerWaalsContact C-N 3.32Å; F121-S123 VanDerWaalsContact C-N 3.32Å; F121-S123 PolarHBondContact O-N 3.33Å; F121-I124 CarbonylContact O-C 3.51Å; F121-I124 PolarHBondContact O-N 3.42Å; F121-I124 VanDerWaalsContact O-N 3.14Å; F121-L125 HydrophobicContact CD1-CB 4.41Å; F121-L125 HydrophobicContact CE1-CB 4.08Å; F121-L125 HydrophobicContact CE1-CD2 4.12Å; F121-L125 HydrophobicContact CZ-CB 4.31Å; F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 3.36Å; F121-W151 AromaticContact CD2-CD2 3.98Å; F121-W151 HydrophobicContact CD2-CD2 3.98Å; F121-W151 AromaticContact CD2-CE2 3.48Å; F121-W151 VanDerWaalsContact CD2-CE2 3.48Å; F121-W151 HydrophobicContact CD2-CE3 4.25Å; F121-W151 AromaticContact CD2-CH2 3.59Å; F121-W151 HydrophobicContact CD2-CH2 3.59Å; F121-W151 AromaticContact CD2-CZ2 3.28Å; F121-W151 HydrophobicContact CD2-CZ2 3.28Å; F121-W151 HydrophobicContact CD2-CZ3 4.08Å; F121-W151 HydrophobicContact CE2-CD2 4.11Å; F121-W151 AromaticContact CE2-CE2 3.99Å; F121-W151 AromaticContact CE2-CE3 3.91Å; F121-W151 HydrophobicContact CE2-CE3 3.91Å; F121-W151 AromaticContact CE2-CH2 3.48Å; F121-W151 HydrophobicContact CE2-CH2 3.48Å; F121-W151 VanDerWaalsContact CE2-CH2 3.48Å; F121-W151 AromaticContact CE2-CZ2 3.7Å; F121-W151 HydrophobicContact CE2-CZ2 3.7Å; F121-W151 AromaticContact CE2-CZ3 3.6Å; F121-W151 HydrophobicContact CE2-CZ3 3.6Å; F121-W151 HydrophobicContact CG-CZ2 4.14Å; F121-W151 HydrophobicContact CZ-CH2 4.39Å
122	S	92.8	Very high	93.3	Very high	50 Å²	50	43.7 Å²	43.7	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-56	-41.8	175.5	-71.3	0	0	0	0	113.5	H71 P118 R119 A120 Q126	H71-S122 PolarHBondContact CE1-OG 3.5Å; P118-S122 PolarHBondContact O-N 3.29Å; R119-S122 PolarHBondContact O-N 2.99Å; A120-S122 VanDerWaalsContact C-N 3.28Å; A120-S122 PolarHBondContact O-N 3.31Å; S122-Q126 WeakPolarHBondContact O-CB 3.14Å; S122-Q126 PolarHBondContact O-N 3.24Å
123	S	92.5	Very high	93.4	Very high	13 Å²	13	43.7 Å²	43.7	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-70.7	-40.9	175	176.1	0	0	0	0	112.1	A120 F121 L125 Q126 F127 H134 V136	A120-S123 PolarHBondContact O-N 3.04Å; F121-S123 VanDerWaalsContact C-N 3.32Å; F121-S123 PolarHBondContact O-N 3.33Å; S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.42Å; S123-Q126 WeakPolarHBondContact O-CB 3.21Å; S123-Q126 PolarHBondContact O-N 2.61Å; S123-Q126 VanDerWaalsContact O-N 3.13Å; S123-F127 PolarHBondContact O-N 3.21Å; S123-H134 PolarHBondContact OG-O 2.97Å; S123-V136 VanDerWaalsContact CB-CG2 3.47Å
124	I	94.7	Very high	93.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-44.2	176.9	-64.7	175.5	0	0	0	110	A120 F121 Q126 F127 Y128 E147 L148 W151 V153	A120-I124 WeakPolarHBondContact O-CG1 3.33Å; A120-I124 PolarHBondContact O-N 3.03Å; F121-I124 CarbonylContact O-C 3.51Å; F121-I124 PolarHBondContact O-N 3.42Å; F121-I124 VanDerWaalsContact O-N 3.14Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.15Å; I124-F127 VanDerWaalsContact O-CB 3.29Å; I124-F127 WeakPolarHBondContact O-CB 3.25Å; I124-F127 PolarHBondContact O-N 2.89Å; I124-F127 VanDerWaalsContact O-N 3.15Å; I124-Y128 HydrophobicContact CG2-CE2 3.91Å; I124-Y128 WeakPolarHBondContact O-CD2 3.37Å; I124-Y128 PolarHBondContact O-N 3.44Å; I124-E147 HydrophobicContact CD1-CB 4.08Å; I124-L148 HydrophobicContact CD1-CD2 4.27Å; I124-L148 HydrophobicContact CG1-CD2 4.13Å; I124-W151 HydrophobicContact CD1-CB 4.2Å; I124-W151 HydrophobicContact CD1-CG 3.8Å; I124-W151 HydrophobicContact CG2-CB 4.02Å; I124-W151 HydrophobicContact CG2-CG 4.07Å; I124-V153 HydrophobicContact CG2-CG2 4.31Å
125	L	94.6	Very high	93.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-37.3	176.1	178.4	58.7	0	0	0	112.1	H71 V73 F121 S123 F127 Y128 R129	H71-L125 HydrophobicContact CB-CD2 3.81Å; V73-L125 HydrophobicContact CG1-CD1 3.5Å; V73-L125 HydrophobicContact CG1-CD2 3.71Å; V73-L125 HydrophobicContact CG1-CG 4.18Å; F121-L125 HydrophobicContact CD1-CB 4.41Å; F121-L125 HydrophobicContact CE1-CB 4.08Å; F121-L125 HydrophobicContact CE1-CD2 4.12Å; F121-L125 HydrophobicContact CZ-CB 4.31Å; F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 3.36Å; S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.42Å; L125-F127 PolarHBondContact O-N 2.97Å; L125-Y128 PolarHBondContact O-N 3.29Å; L125-Y128 VanDerWaalsContact O-N 3.15Å; L125-R129 WeakPolarHBondContact O-CG 3.47Å; L125-R129 PolarHBondContact O-N 3.43Å; L125-R129 VanDerWaalsContact O-N 3.12Å
126	Q	92.8	Very high	92.8	Very high	86 Å²	86	41.2 Å²	41.2	40%	0.402	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-34.3	174.2	-170.6	64.8	12.1	0	0	111.9	S122 S123 I124 R129 T130	S122-Q126 WeakPolarHBondContact O-CB 3.14Å; S122-Q126 PolarHBondContact O-N 3.24Å; S123-Q126 WeakPolarHBondContact O-CB 3.21Å; S123-Q126 PolarHBondContact O-N 2.61Å; S123-Q126 VanDerWaalsContact O-N 3.13Å; I124-Q126 VanDerWaalsContact C-N 3.33Å; I124-Q126 PolarHBondContact O-N 3.15Å; Q126-R129 PolarHBondContact O-N 2.88Å; Q126-T130 HydrophobicContact CG-CG2 4.35Å; Q126-T130 PolarHBondContact O-N 3.46Å; Q126-T130 PolarHBondContact O-OG1 3.16Å
127	F	94.3	Very high	92.2	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-42.2	172.6	170.6	-111.7	0	0	0	112.4	Y80 M81 S123 I124 L125 R129 G131 L133 V153 F157	Y80-F127 HydrophobicContact CD1-CE1 4.45Å; Y80-F127 HydrophobicContact CE1-CE1 4.24Å; Y80-F127 HydrophobicContact CE1-CE2 4.3Å; Y80-F127 HydrophobicContact CE1-CZ 4.03Å; M81-F127 HydrophobicContact CE-CE1 3.89Å; M81-F127 HydrophobicContact CE-CZ 3.63Å; S123-F127 PolarHBondContact O-N 3.21Å; I124-F127 VanDerWaalsContact O-CB 3.29Å; I124-F127 WeakPolarHBondContact O-CB 3.25Å; I124-F127 PolarHBondContact O-N 2.89Å; I124-F127 VanDerWaalsContact O-N 3.15Å; L125-F127 PolarHBondContact O-N 2.97Å; F127-R129 VanDerWaalsContact C-N 3.26Å; F127-R129 PolarHBondContact O-N 3.46Å; F127-G131 WeakPolarHBondContact CE2-O 3.24Å; F127-G131 WeakPolarHBondContact O-CA 3.23Å; F127-G131 PolarHBondContact O-N 2.85Å; F127-L133 HydrophobicContact CB-CB 4.14Å; F127-L133 HydrophobicContact CB-CD1 3.89Å; F127-L133 HydrophobicContact CD2-CB 3.65Å; F127-L133 HydrophobicContact CE2-CB 4.25Å; F127-L133 HydrophobicContact CG-CB 4.03Å; F127-L133 HydrophobicContact CG-CD1 4.35Å; F127-V153 HydrophobicContact CD1-CG1 3.91Å; F127-V153 HydrophobicContact CD1-CG2 4.29Å; F127-V153 HydrophobicContact CE1-CG1 3.72Å; F127-V153 HydrophobicContact CE1-CG2 4.32Å; F127-V153 HydrophobicContact CZ-CG1 4.38Å; F127-F157 HydrophobicContact CE2-CB 3.86Å; F127-F157 HydrophobicContact CE2-CD1 4.38Å; F127-F157 HydrophobicContact CE2-CG 4.14Å; F127-F157 HydrophobicContact CZ-CB 3.89Å; F127-F157 HydrophobicContact CZ-CD1 4.08Å; F127-F157 HydrophobicContact CZ-CD2 4.08Å; F127-F157 AromaticContact CZ-CG 3.75Å; F127-F157 HydrophobicContact CZ-CG 3.75Å
128	Y	93.5	Very high	91.9	Very high	8 Å²	8	39.6 Å²	39.6	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-28.9	173.7	-70.1	-104.4	0	0	0	112.8	T77 S84 L86 I124 L125 V153	T77-Y128 WeakPolarHBondContact O-CD1 3.37Å; S84-Y128 WeakPolarHBondContact CB-OH 3.26Å; S84-Y128 PolarHBondContact OG-OH 3.02Å; L86-Y128 HydrophobicContact CB-CE1 3.93Å; L86-Y128 HydrophobicContact CD1-CD2 4.29Å; L86-Y128 HydrophobicContact CD1-CE1 4.2Å; L86-Y128 HydrophobicContact CD1-CE2 3.89Å; I124-Y128 HydrophobicContact CG2-CE2 3.91Å; I124-Y128 WeakPolarHBondContact O-CD2 3.37Å; I124-Y128 PolarHBondContact O-N 3.44Å; L125-Y128 PolarHBondContact O-N 3.29Å; L125-Y128 VanDerWaalsContact O-N 3.15Å; Y128-V153 HydrophobicContact CE2-CG2 4.38Å
129	R	92.8	Very high	91.7	Very high	130 Å²	130	38.8 Å²	38.8	49%	0.491	19%	0.193	S	C	.	.	H	α-helix	trans	-80.9	-34.9	-179	-71.7	174.7	171.8	171.5	-3.9	113.3	E72 T77 L125 Q126 F127	E72-R129 PolarHBondContact O-NH2 2.93Å; E72-R129 VanDerWaalsContact O-NH2 3.17Å; T77-R129 HydrophobicContact CG2-CG 4.24Å; L125-R129 WeakPolarHBondContact O-CG 3.47Å; L125-R129 PolarHBondContact O-N 3.43Å; L125-R129 VanDerWaalsContact O-N 3.12Å; Q126-R129 PolarHBondContact O-N 2.88Å; F127-R129 VanDerWaalsContact C-N 3.26Å; F127-R129 PolarHBondContact O-N 3.46Å
130	T	91.9	Very high	91.5	Very high	68 Å²	68	36.3 Å²	36.3	42%	0.417	19%	0.188	S	C	.	.	H	α-helix	trans	-119.3	-13.7	-169.9	61.6	0	0	0	0	114.6	Q126 K132	Q126-T130 HydrophobicContact CG-CG2 4.35Å; Q126-T130 PolarHBondContact O-N 3.46Å; Q126-T130 PolarHBondContact O-OG1 3.16Å; T130-K132 PolarHBondContact O-N 2.73Å; T130-K132 PolarHBondContact OG1-N 3.1Å; T130-K132 PolarHBondContact OG1-O 3.5Å
131	G	91.1	Very high	91.5	Very high	19 Å²	19	36.3 Å²	36.3	20%	0.196	19%	0.188	C	C	.	.	S	Bend	trans	74.1	1	-170.8	0	0	0	0	0	114.8	Y80 F127	Y80-G131 WeakPolarHBondContact OH-CA 2.94Å; F127-G131 WeakPolarHBondContact CE2-O 3.24Å; F127-G131 WeakPolarHBondContact O-CA 3.23Å; F127-G131 PolarHBondContact O-N 2.85Å
132	K	91.9	Very high	91.4	Very high	109 Å²	109	38.2 Å²	38.2	47%	0.474	20%	0.198	S	C	.	.			trans	-113.7	122.6	-176.8	-60.4	-168	175.7	-174.9	0	110.9	T130 E159	T130-K132 PolarHBondContact O-N 2.73Å; T130-K132 PolarHBondContact OG1-N 3.1Å; T130-K132 PolarHBondContact OG1-O 3.5Å; K132-E159 HydrophobicContact CB-CG 3.88Å; K132-E159 HydrophobicContact CG-CG 4.36Å; K132-E159 WeakPolarHBondContact CG-OE1 3.36Å
133	L	94.5	Very high	91.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-100.3	121.6	178.4	-177.9	64.9	0	0	0	109.7	F127 F144 L148 V153 F157 L158 E159	F127-L133 HydrophobicContact CB-CB 4.14Å; F127-L133 HydrophobicContact CB-CD1 3.89Å; F127-L133 HydrophobicContact CD2-CB 3.65Å; F127-L133 HydrophobicContact CE2-CB 4.25Å; F127-L133 HydrophobicContact CG-CB 4.03Å; F127-L133 HydrophobicContact CG-CD1 4.35Å; L133-F144 HydrophobicContact CD1-CZ 4.37Å; L133-L148 HydrophobicContact CD1-CD2 4.2Å; L133-L148 HydrophobicContact CD2-CD1 4.45Å; L133-L148 HydrophobicContact CD2-CD2 3.83Å; L133-V153 HydrophobicContact CD2-CG1 3.85Å; L133-F157 HydrophobicContact CB-CB 4.4Å; L133-F157 WeakPolarHBondContact CB-O 3.38Å; L133-F157 HydrophobicContact CD2-CB 4.19Å; L133-L158 HydrophobicContact CD2-CD1 3.67Å; L133-L158 HydrophobicContact CD2-CG 4.3Å; L133-L158 HydrophobicContact CG-CD1 4.23Å; L133-L158 HydrophobicContact CG-CG 4.38Å; L133-L158 WeakPolarHBondContact O-CA 3.15Å; L133-E159 PolarHBondContact O-N 3.1Å
134	H	93.9	Very high	91.4	Very high	72 Å²	72	37.3 Å²	37.3	33%	0.333	19%	0.194	S	C	.	.			trans	-116.1	141	176.9	-69	-76.8	0	0	0	110.9	S123 C161 C162	S123-H134 PolarHBondContact OG-O 2.97Å; H134-C161 PolarHBondContact CE1-SG 2.89Å; H134-C161 PolarHBondContact ND1-SG 3.24Å; H134-C162 PolarHBondContact ND1-SG 2.77Å
135	F	92.1	Very high	91.3	Very high	14 Å²	14	38 Å²	38	6%	0.061	20%	0.198	C	C	.	.			trans	-73.3	135.8	173.2	178.3	-120	0	0	0	110.3	I139 V141 F144 L158 C162 F166 L169	F135-I139 WeakPolarHBondContact CZ-O 2.86Å; F135-V141 HydrophobicContact CE2-CB 4.47Å; F135-V141 HydrophobicContact CE2-CG2 4.35Å; F135-V141 HydrophobicContact CZ-CB 4.23Å; F135-V141 HydrophobicContact CZ-CG2 4.34Å; F135-F144 HydrophobicContact CD2-CB 4.38Å; F135-F144 AromaticContact CD2-CD1 3.63Å; F135-F144 HydrophobicContact CD2-CD1 3.63Å; F135-F144 AromaticContact CD2-CE1 3.99Å; F135-F144 HydrophobicContact CD2-CE1 3.99Å; F135-F144 AromaticContact CD2-CG 3.99Å; F135-F144 HydrophobicContact CD2-CG 3.99Å; F135-F144 HydrophobicContact CE2-CB 3.95Å; F135-F144 HydrophobicContact CE2-CD1 4.06Å; F135-F144 HydrophobicContact CE2-CG 4.05Å; F135-L158 HydrophobicContact CB-CD2 4.04Å; F135-C162 HydrophobicContact CB-CB 3.95Å; F135-F166 HydrophobicContact CB-CD2 4.29Å; F135-F166 HydrophobicContact CD1-CD2 4.46Å; F135-F166 AromaticContact CD2-CD2 3.5Å; F135-F166 HydrophobicContact CD2-CD2 3.5Å; F135-F166 AromaticContact CD2-CE2 3.89Å; F135-F166 HydrophobicContact CD2-CE2 3.89Å; F135-F166 AromaticContact CE2-CD2 3.88Å; F135-F166 HydrophobicContact CE2-CD2 3.88Å; F135-F166 HydrophobicContact CE2-CE2 4.08Å; F135-F166 AromaticContact CG-CD2 3.82Å; F135-F166 HydrophobicContact CG-CD2 3.82Å; F135-F166 HydrophobicContact CZ-CD2 4.5Å; F135-L169 HydrophobicContact CE1-CD2 4.22Å; F135-L169 HydrophobicContact CZ-CD2 4.32Å
136	V	88.7	Confident	91.3	Very high	44 Å²	44	41.8 Å²	41.8	27%	0.267	22%	0.222	S	C	.	.			trans	-94.7	114	175.6	-178.3	0	0	0	0	108.1	S123 D138 I139	S123-V136 VanDerWaalsContact CB-CG2 3.47Å; V136-D138 HydrophobicContact CG1-CB 4.19Å; V136-D138 PolarHBondContact O-N 3.5Å; V136-D138 VanDerWaalsContact O-N 3.1Å; V136-I139 HydrophobicContact CB-CD1 4.08Å; V136-I139 HydrophobicContact CB-CG1 4.28Å; V136-I139 HydrophobicContact CG1-CD1 4.15Å; V136-I139 HydrophobicContact CG1-CG1 4.12Å; V136-I139 PolarHBondContact O-N 3.11Å
137	D	82.6	Confident	91.3	Very high	58 Å²	58	38.6 Å²	38.6	31%	0.31	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.4	-175.6	-74.9	-18.9	0	0	0	113	I139 R165 S535	D137-I139 PolarHBondContact O-N 2.68Å; D137-I139 VanDerWaalsContact O-N 3.14Å; D137-R165 VanDerWaalsContact CG-NH1 3.26Å; D137-R165 IonicContact OD1-CZ 3.88Å; D137-R165 IonicContact OD1-NE 3.6Å; D137-R165 IonicContact OD1-NH1 2.61Å; D137-R165 PolarHBondContact OD1-NH1 2.89Å; D137-R165 VanDerWaalsContact OD1-NH1 3.11Å; D137-R165 IonicContact OD1-NH2 2.75Å; D137-R165 PolarHBondContact OD1-NH2 3.5Å; D137-R165 IonicContact OD2-CZ 2.99Å; D137-R165 IonicContact OD2-NH1 3.99Å; D137-R165 PolarHBondContact OD2-NH1 3.07Å; D137-R165 IonicContact OD2-NH2 3.5Å; D137-R165 PolarHBondContact OD2-NH2 3.05Å; D137-S535 WeakPolarHBondContact O-CA 3.35Å; D137-S535 WeakPolarHBondContact O-CB 3.33Å
138	D	84.9	Confident	91.3	Very high	48 Å²	48	38.5 Å²	38.5	26%	0.257	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	4.2	-179.3	-77.8	9.9	0	0	0	116.8	V136 S535 S536 D537	V136-D138 HydrophobicContact CG1-CB 4.19Å; V136-D138 PolarHBondContact O-N 3.5Å; V136-D138 VanDerWaalsContact O-N 3.1Å; D138-S535 CarbonylContact C-O 3.41Å; D138-S535 VanDerWaalsContact CA-C 3.44Å; D138-S535 VanDerWaalsContact CA-CA 3.48Å; D138-S535 VanDerWaalsContact CA-O 3.24Å; D138-S535 WeakPolarHBondContact CA-O 3.31Å; D138-S535 VanDerWaalsContact CG-C 3.47Å; D138-S535 VanDerWaalsContact O-O 3.12Å; D138-S535 VanDerWaalsContact OD1-CA 3.23Å; D138-S535 WeakPolarHBondContact OD1-CA 3.41Å; D138-S536 PolarHBondContact OD1-N 3.11Å; D138-D537 PolarHBondContact OD2-N 3.23Å
139	I	86.8	Confident	91.3	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.056	24%	0.235	C	C	.	.	S	Bend	trans	-127.3	133.9	-174.6	-52.8	-179.1	0	0	0	108.7	R119 A120 F135 V136 D137 V141 A143 F144	R119-I139 HydrophobicContact CB-CD1 4.18Å; A120-I139 VanDerWaalsContact CA-CD1 3.46Å; A120-I139 HydrophobicContact CB-CD1 3.75Å; F135-I139 WeakPolarHBondContact CZ-O 2.86Å; V136-I139 HydrophobicContact CB-CD1 4.08Å; V136-I139 HydrophobicContact CB-CG1 4.28Å; V136-I139 HydrophobicContact CG1-CD1 4.15Å; V136-I139 HydrophobicContact CG1-CG1 4.12Å; V136-I139 PolarHBondContact O-N 3.11Å; D137-I139 PolarHBondContact O-N 2.68Å; D137-I139 VanDerWaalsContact O-N 3.14Å; I139-V141 PolarHBondContact O-N 3.07Å; I139-A143 HydrophobicContact CG2-CB 4.25Å; I139-F144 HydrophobicContact CG2-CB 4.13Å
140	C	88.7	Confident	91.4	Very high	27 Å²	27	39.4 Å²	39.4	18%	0.182	22%	0.219	C	C	.	.			trans	-48.1	128.2	169.6	174.2	0	0	0	0	110.4	L142 A143 F144 F528	C140-L142 PolarHBondContact O-N 3.1Å; C140-L142 VanDerWaalsContact O-N 3.16Å; C140-L142 PolarHBondContact SG-N 3.21Å; C140-L142 VanDerWaalsContact SG-N 3.45Å; C140-A143 HydrophobicContact CB-CB 3.79Å; C140-A143 WeakPolarHBondContact O-CA 3.31Å; C140-A143 WeakPolarHBondContact O-CB 3.2Å; C140-A143 PolarHBondContact O-N 3.14Å; C140-F144 PolarHBondContact O-N 3.42Å; C140-F528 HydrophobicContact CB-CE1 3.64Å; C140-F528 HydrophobicContact CB-CZ 3.4Å; C140-F528 VanDerWaalsContact CB-CZ 3.4Å; C140-F528 VanDerWaalsContact SG-CZ 3.54Å
141	V	92	Very high	91.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-55.2	-36.9	-179.5	75.8	0	0	0	0	112.8	F135 I139 F144 T145 F166 L169 K170 I173	F135-V141 HydrophobicContact CE2-CB 4.47Å; F135-V141 HydrophobicContact CE2-CG2 4.35Å; F135-V141 HydrophobicContact CZ-CB 4.23Å; F135-V141 HydrophobicContact CZ-CG2 4.34Å; I139-V141 PolarHBondContact O-N 3.07Å; V141-F144 PolarHBondContact O-N 2.87Å; V141-T145 PolarHBondContact O-N 3.07Å; V141-T145 PolarHBondContact O-OG1 2.96Å; V141-F166 HydrophobicContact CG2-CD2 3.43Å; V141-F166 VanDerWaalsContact CG2-CD2 3.43Å; V141-F166 HydrophobicContact CG2-CE2 3.31Å; V141-F166 HydrophobicContact CG2-CG 4.11Å; V141-F166 HydrophobicContact CG2-CZ 3.92Å; V141-L169 HydrophobicContact CB-CD2 4.09Å; V141-L169 HydrophobicContact CB-CG 4.2Å; V141-L169 HydrophobicContact CG1-CG 4.21Å; V141-L169 HydrophobicContact CG2-CB 4.46Å; V141-K170 HydrophobicContact CG1-CB 4.2Å; V141-K170 HydrophobicContact CG2-CB 3.9Å; V141-I173 HydrophobicContact CG1-CD1 3.62Å
142	L	91.4	Very high	91.6	Very high	40 Å²	40	36.6 Å²	36.6	21%	0.209	20%	0.203	C	C	.	.	H	α-helix	trans	-72	-37.6	177.6	-59.4	179.4	0	0	0	112	C140 T145 T146 K170 I173 Q174 M177	C140-L142 PolarHBondContact O-N 3.1Å; C140-L142 VanDerWaalsContact O-N 3.16Å; C140-L142 PolarHBondContact SG-N 3.21Å; C140-L142 VanDerWaalsContact SG-N 3.45Å; L142-T145 PolarHBondContact O-N 3.13Å; L142-T146 PolarHBondContact O-N 3.2Å; L142-T146 PolarHBondContact O-OG1 3.39Å; L142-K170 HydrophobicContact CD2-CG 4.46Å; L142-I173 HydrophobicContact CD1-CG2 3.73Å; L142-I173 HydrophobicContact CG-CG2 4.28Å; L142-Q174 HydrophobicContact CD2-CG 3.87Å; L142-M177 HydrophobicContact CD1-SD 3.53Å; L142-M177 VanDerWaalsContact CD1-SD 3.53Å
143	A	91.9	Very high	91.7	Very high	43 Å²	43	31.5 Å²	31.5	36%	0.355	18%	0.181	S	C	.	.	H	α-helix	trans	-67.3	-42.8	174.4	0	0	0	0	0	110.7	I139 C140 T145 T146 E147	I139-A143 HydrophobicContact CG2-CB 4.25Å; C140-A143 HydrophobicContact CB-CB 3.79Å; C140-A143 WeakPolarHBondContact O-CA 3.31Å; C140-A143 WeakPolarHBondContact O-CB 3.2Å; C140-A143 PolarHBondContact O-N 3.14Å; A143-T145 VanDerWaalsContact C-N 3.34Å; A143-T145 PolarHBondContact O-N 2.88Å; A143-T146 WeakPolarHBondContact O-CB 3.48Å; A143-T146 PolarHBondContact O-N 3.41Å; A143-T146 VanDerWaalsContact O-N 3.15Å; A143-E147 WeakPolarHBondContact O-CG 3.3Å; A143-E147 PolarHBondContact O-N 2.73Å
144	F	94.1	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-41	175.4	-168.9	-107	0	0	0	111.8	A120 L133 F135 I139 C140 V141 T146 E147 L148 F166	A120-F144 HydrophobicContact CB-CD2 4.38Å; L133-F144 HydrophobicContact CD1-CZ 4.37Å; F135-F144 HydrophobicContact CD2-CB 4.38Å; F135-F144 AromaticContact CD2-CD1 3.63Å; F135-F144 HydrophobicContact CD2-CD1 3.63Å; F135-F144 AromaticContact CD2-CE1 3.99Å; F135-F144 HydrophobicContact CD2-CE1 3.99Å; F135-F144 AromaticContact CD2-CG 3.99Å; F135-F144 HydrophobicContact CD2-CG 3.99Å; F135-F144 HydrophobicContact CE2-CB 3.95Å; F135-F144 HydrophobicContact CE2-CD1 4.06Å; F135-F144 HydrophobicContact CE2-CG 4.05Å; I139-F144 HydrophobicContact CG2-CB 4.13Å; C140-F144 PolarHBondContact O-N 3.42Å; V141-F144 PolarHBondContact O-N 2.87Å; F144-T146 VanDerWaalsContact C-N 3.31Å; F144-T146 PolarHBondContact O-N 2.85Å; F144-E147 WeakPolarHBondContact O-CB 3.46Å; F144-E147 PolarHBondContact O-N 3.06Å; F144-E147 VanDerWaalsContact O-N 3.16Å; F144-L148 HydrophobicContact CD1-CD1 3.86Å; F144-L148 HydrophobicContact CD1-CG 4.09Å; F144-L148 HydrophobicContact CE1-CD1 3.69Å; F144-L148 HydrophobicContact CE1-CD2 4.06Å; F144-L148 HydrophobicContact CE1-CG 3.91Å; F144-L148 HydrophobicContact CZ-CD2 4.14Å; F144-L148 HydrophobicContact CZ-CG 4.37Å; F144-L148 WeakPolarHBondContact O-CG 3.42Å; F144-L148 PolarHBondContact O-N 2.99Å; F144-F166 AromaticContact CD1-CE2 3.8Å; F144-F166 HydrophobicContact CD1-CE2 3.8Å
145	T	92.9	Very high	91.4	Very high	15 Å²	15	34.5 Å²	34.5	9%	0.092	20%	0.199	C	C	.	.	H	α-helix	trans	-57.8	-44.7	172.7	-51.6	0	0	0	0	111.1	V141 L142 A143 E147 L148 D149 F166	V141-T145 PolarHBondContact O-N 3.07Å; V141-T145 PolarHBondContact O-OG1 2.96Å; L142-T145 PolarHBondContact O-N 3.13Å; A143-T145 VanDerWaalsContact C-N 3.34Å; A143-T145 PolarHBondContact O-N 2.88Å; T145-E147 VanDerWaalsContact C-N 3.28Å; T145-E147 PolarHBondContact O-N 3.29Å; T145-L148 PolarHBondContact O-N 2.64Å; T145-D149 PolarHBondContact O-N 3.4Å; T145-F166 WeakPolarHBondContact OG1-CZ 3.44Å
146	T	93.5	Very high	91.3	Very high	82 Å²	82	36.9 Å²	36.9	50%	0.503	22%	0.22	S	C	.	.	H	α-helix	trans	-64.3	-32.8	178.2	-52.9	0	0	0	0	112.5	R116 L142 A143 F144 Y150	R116-T146 PolarHBondContact NH2-O 3.32Å; L142-T146 PolarHBondContact O-N 3.2Å; L142-T146 PolarHBondContact O-OG1 3.39Å; A143-T146 WeakPolarHBondContact O-CB 3.48Å; A143-T146 PolarHBondContact O-N 3.41Å; A143-T146 VanDerWaalsContact O-N 3.15Å; F144-T146 VanDerWaalsContact C-N 3.31Å; F144-T146 PolarHBondContact O-N 2.85Å; T146-Y150 PolarHBondContact O-N 3.45Å
147	E	94.4	Very high	91.5	Very high	19 Å²	19	38.9 Å²	38.9	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-50.5	172.2	-67.9	-62.6	127.7	0	0	110.8	R116 A120 I124 A143 F144 T145 D149 Y150 W151	R116-E147 IonicContact CZ-OE1 2.9Å; R116-E147 IonicContact CZ-OE2 2.95Å; R116-E147 IonicContact NE-OE1 3.66Å; R116-E147 PolarHBondContact NE-OE1 3.33Å; R116-E147 VanDerWaalsContact NE-OE1 3.1Å; R116-E147 IonicContact NE-OE2 3.82Å; R116-E147 VanDerWaalsContact NH2-CD 3.32Å; R116-E147 IonicContact NH2-OE1 2.93Å; R116-E147 PolarHBondContact NH2-OE1 2.99Å; R116-E147 IonicContact NH2-OE2 3.52Å; A120-E147 HydrophobicContact CB-CB 4.07Å; A120-E147 HydrophobicContact CB-CG 3.67Å; I124-E147 HydrophobicContact CD1-CB 4.08Å; A143-E147 WeakPolarHBondContact O-CG 3.3Å; A143-E147 PolarHBondContact O-N 2.73Å; F144-E147 WeakPolarHBondContact O-CB 3.46Å; F144-E147 PolarHBondContact O-N 3.06Å; F144-E147 VanDerWaalsContact O-N 3.16Å; T145-E147 VanDerWaalsContact C-N 3.28Å; T145-E147 PolarHBondContact O-N 3.29Å; E147-D149 VanDerWaalsContact C-N 3.29Å; E147-D149 PolarHBondContact O-N 2.84Å; E147-Y150 PolarHBondContact O-N 2.89Å; E147-W151 PolarHBondContact O-N 3.42Å; E147-W151 PolarHBondContact OE2-NE1 2.99Å; E147-W151 VanDerWaalsContact OE2-NE1 3.16Å
148	L	93.9	Very high	92	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-51.7	-47.2	176.5	-71.5	-179.5	0	0	0	112.2	I124 L133 F144 T145 Y150 W151 G152 V153 E155 L158	I124-L148 HydrophobicContact CD1-CD2 4.27Å; I124-L148 HydrophobicContact CG1-CD2 4.13Å; L133-L148 HydrophobicContact CD1-CD2 4.2Å; L133-L148 HydrophobicContact CD2-CD1 4.45Å; L133-L148 HydrophobicContact CD2-CD2 3.83Å; F144-L148 HydrophobicContact CD1-CD1 3.86Å; F144-L148 HydrophobicContact CD1-CG 4.09Å; F144-L148 HydrophobicContact CE1-CD1 3.69Å; F144-L148 HydrophobicContact CE1-CD2 4.06Å; F144-L148 HydrophobicContact CE1-CG 3.91Å; F144-L148 HydrophobicContact CZ-CD2 4.14Å; F144-L148 HydrophobicContact CZ-CG 4.37Å; F144-L148 WeakPolarHBondContact O-CG 3.42Å; F144-L148 PolarHBondContact O-N 2.99Å; T145-L148 PolarHBondContact O-N 2.64Å; L148-Y150 PolarHBondContact O-N 3.22Å; L148-W151 PolarHBondContact O-N 3.46Å; L148-G152 PolarHBondContact O-N 3.12Å; L148-V153 CarbonylContact C-O 3.57Å; L148-V153 WeakPolarHBondContact CB-O 3.5Å; L148-V153 HydrophobicContact CD2-CB 4.08Å; L148-V153 HydrophobicContact CD2-CG1 4.08Å; L148-V153 PolarHBondContact O-N 2.97Å; L148-E155 HydrophobicContact CD1-CB 4.14Å; L148-L158 HydrophobicContact CD1-CD1 4.09Å
149	D	93.9	Very high	92.4	Very high	119 Å²	119	37.2 Å²	37.2	64%	0.636	22%	0.215	S	C	*	.	H	α-helix	trans	-60.1	-43.7	176.4	-71.5	-23.2	0	0	0	112.2	T145 E147 W151 G152	T145-D149 PolarHBondContact O-N 3.4Å; E147-D149 VanDerWaalsContact C-N 3.29Å; E147-D149 PolarHBondContact O-N 2.84Å; D149-W151 PolarHBondContact O-N 2.97Å; D149-G152 PolarHBondContact O-N 3.16Å
150	Y	94.3	Very high	92.7	Very high	38 Å²	38	44.4 Å²	44.4	15%	0.149	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-40.8	178.8	173.6	-99.7	0	0	0	112.8	R85 F114 R116 T146 E147 L148 G152	R85-Y150 VanDerWaalsContact CZ-CE2 3.46Å; R85-Y150 PolarHBondContact NE-O 3.07Å; F114-Y150 HydrophobicContact CD1-CE1 4.38Å; R116-Y150 HydrophobicContact CG-CD1 4.21Å; R116-Y150 HydrophobicContact CG-CE1 3.68Å; R116-Y150 VanDerWaalsContact NH1-CE2 3.28Å; T146-Y150 PolarHBondContact O-N 3.45Å; E147-Y150 PolarHBondContact O-N 2.89Å; L148-Y150 PolarHBondContact O-N 3.22Å; Y150-G152 VanDerWaalsContact C-N 3.25Å; Y150-G152 PolarHBondContact O-N 3.1Å
151	W	95.2	Very high	92.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-79.4	-9.1	179.8	-65.3	106.7	0	0	0	112.7	V66 S84 R85 L86 F114 R116 F121 I124 E147 L148 D149 V153	V66-W151 HydrophobicContact CG1-CZ2 4.17Å; V66-W151 HydrophobicContact CG2-CH2 4.19Å; V66-W151 HydrophobicContact CG2-CZ2 4.42Å; S84-W151 WeakPolarHBondContact CA-O 3.47Å; S84-W151 WeakPolarHBondContact CB-O 3.41Å; R85-W151 HydrophobicContact CB-CE3 4.49Å; R85-W151 PolarHBondContact N-O 2.88Å; L86-W151 HydrophobicContact CD2-CE3 4.27Å; L86-W151 HydrophobicContact CD2-CZ3 3.8Å; L86-W151 HydrophobicContact CG-CE3 4.12Å; L86-W151 HydrophobicContact CG-CZ3 4.16Å; F114-W151 HydrophobicContact CB-CH2 3.99Å; F114-W151 HydrophobicContact CB-CZ2 4.43Å; F114-W151 AromaticContact CD1-CH2 3.63Å; F114-W151 HydrophobicContact CD1-CH2 3.63Å; F114-W151 AromaticContact CD1-CZ3 3.96Å; F114-W151 HydrophobicContact CD1-CZ3 3.96Å; F114-W151 AromaticContact CD2-CH2 3.92Å; F114-W151 HydrophobicContact CD2-CH2 3.92Å; F114-W151 HydrophobicContact CE1-CH2 4.01Å; F114-W151 AromaticContact CE1-CZ3 3.87Å; F114-W151 HydrophobicContact CE1-CZ3 3.87Å; F114-W151 HydrophobicContact CE2-CH2 4.29Å; F114-W151 HydrophobicContact CE2-CZ3 4.43Å; F114-W151 AromaticContact CG-CH2 3.57Å; F114-W151 HydrophobicContact CG-CH2 3.57Å; F114-W151 HydrophobicContact CG-CZ2 4.46Å; F114-W151 HydrophobicContact CG-CZ3 4.27Å; F114-W151 HydrophobicContact CZ-CH2 4.32Å; F114-W151 HydrophobicContact CZ-CZ3 4.12Å; R116-W151 HydrophobicContact CB-CZ2 4.29Å; R116-W151 HydrophobicContact CG-CZ2 4.33Å; F121-W151 AromaticContact CD2-CD2 3.98Å; F121-W151 HydrophobicContact CD2-CD2 3.98Å; F121-W151 AromaticContact CD2-CE2 3.48Å; F121-W151 VanDerWaalsContact CD2-CE2 3.48Å; F121-W151 HydrophobicContact CD2-CE3 4.25Å; F121-W151 AromaticContact CD2-CH2 3.59Å; F121-W151 HydrophobicContact CD2-CH2 3.59Å; F121-W151 AromaticContact CD2-CZ2 3.28Å; F121-W151 HydrophobicContact CD2-CZ2 3.28Å; F121-W151 HydrophobicContact CD2-CZ3 4.08Å; F121-W151 HydrophobicContact CE2-CD2 4.11Å; F121-W151 AromaticContact CE2-CE2 3.99Å; F121-W151 AromaticContact CE2-CE3 3.91Å; F121-W151 HydrophobicContact CE2-CE3 3.91Å; F121-W151 AromaticContact CE2-CH2 3.48Å; F121-W151 HydrophobicContact CE2-CH2 3.48Å; F121-W151 VanDerWaalsContact CE2-CH2 3.48Å; F121-W151 AromaticContact CE2-CZ2 3.7Å; F121-W151 HydrophobicContact CE2-CZ2 3.7Å; F121-W151 AromaticContact CE2-CZ3 3.6Å; F121-W151 HydrophobicContact CE2-CZ3 3.6Å; F121-W151 HydrophobicContact CG-CZ2 4.14Å; F121-W151 HydrophobicContact CZ-CH2 4.39Å; I124-W151 HydrophobicContact CD1-CB 4.2Å; I124-W151 HydrophobicContact CD1-CG 3.8Å; I124-W151 HydrophobicContact CG2-CB 4.02Å; I124-W151 HydrophobicContact CG2-CG 4.07Å; E147-W151 PolarHBondContact O-N 3.42Å; E147-W151 PolarHBondContact OE2-NE1 2.99Å; E147-W151 VanDerWaalsContact OE2-NE1 3.16Å; L148-W151 PolarHBondContact O-N 3.46Å; D149-W151 PolarHBondContact O-N 2.97Å; W151-V153 HydrophobicContact CB-CG2 4.4Å
152	G	92.7	Very high	92.9	Very high	27 Å²	27	48.7 Å²	48.7	28%	0.278	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	34.9	179.3	0	0	0	0	0	112.8	L148 D149 Y150	L148-G152 PolarHBondContact O-N 3.12Å; D149-G152 PolarHBondContact O-N 3.16Å; Y150-G152 VanDerWaalsContact C-N 3.25Å; Y150-G152 PolarHBondContact O-N 3.1Å
153	V	93.5	Very high	92.9	Very high	3 Å²	3	50 Å²	50	2%	0.018	28%	0.284	C	S	.	.			trans	-108.7	121.4	176.6	-179.5	0	0	0	0	108	I124 F127 Y128 L133 L148 W151 F157	I124-V153 HydrophobicContact CG2-CG2 4.31Å; F127-V153 HydrophobicContact CD1-CG1 3.91Å; F127-V153 HydrophobicContact CD1-CG2 4.29Å; F127-V153 HydrophobicContact CE1-CG1 3.72Å; F127-V153 HydrophobicContact CE1-CG2 4.32Å; F127-V153 HydrophobicContact CZ-CG1 4.38Å; Y128-V153 HydrophobicContact CE2-CG2 4.38Å; L133-V153 HydrophobicContact CD2-CG1 3.85Å; L148-V153 CarbonylContact C-O 3.57Å; L148-V153 WeakPolarHBondContact CB-O 3.5Å; L148-V153 HydrophobicContact CD2-CB 4.08Å; L148-V153 HydrophobicContact CD2-CG1 4.08Å; L148-V153 PolarHBondContact O-N 2.97Å; W151-V153 HydrophobicContact CB-CG2 4.4Å; V153-F157 HydrophobicContact CG1-CD2 4.25Å
154	D	91.4	Very high	92.9	Very high	93 Å²	93	54.4 Å²	54.4	50%	0.497	30%	0.297	S	S	.	.			trans	-70.8	138.8	178.4	-161	-49.5	0	0	0	110.7	A156 F157	D154-A156 HydrophobicContact CB-CB 4.47Å; D154-A156 PolarHBondContact O-N 2.94Å; D154-A156 VanDerWaalsContact OD1-CB 3.3Å; D154-A156 WeakPolarHBondContact OD1-CB 3.33Å; D154-A156 PolarHBondContact OD1-N 3.36Å; D154-F157 HydrophobicContact CB-CD2 3.8Å; D154-F157 HydrophobicContact CB-CE2 3.75Å; D154-F157 VanDerWaalsContact O-CD2 3.27Å; D154-F157 WeakPolarHBondContact O-CD2 3.25Å; D154-F157 PolarHBondContact O-N 2.96Å; D154-F157 VanDerWaalsContact O-N 3.14Å
155	E	91.3	Very high	92.7	Very high	42 Å²	42	59.5 Å²	59.5	20%	0.196	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-62.8	-19.3	174	60.5	179.1	-152.6	0	0	113	L148 F157 L158 F166 Y167 K170	L148-E155 HydrophobicContact CD1-CB 4.14Å; E155-F157 PolarHBondContact O-N 3.08Å; E155-F157 VanDerWaalsContact O-N 3.13Å; E155-L158 HydrophobicContact CB-CD1 4.14Å; E155-L158 WeakPolarHBondContact O-CB 3.25Å; E155-L158 WeakPolarHBondContact O-CD1 3.29Å; E155-L158 PolarHBondContact O-N 2.9Å; E155-F166 HydrophobicContact CB-CE1 4.22Å; E155-Y167 WeakPolarHBondContact OE1-CE1 3.41Å; E155-Y167 PolarHBondContact OE1-OH 3.26Å; E155-K170 IonicContact OE1-NZ 2.83Å; E155-K170 PolarHBondContact OE1-NZ 3.4Å; E155-K170 IonicContact OE2-NZ 2.8Å; E155-K170 PolarHBondContact OE2-NZ 2.96Å
156	A	90.3	Very high	92.7	Very high	63 Å²	63	58.8 Å²	58.8	52%	0.521	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60	-18.6	172.7	0	0	0	0	0	113.6	D154 L158	D154-A156 HydrophobicContact CB-CB 4.47Å; D154-A156 PolarHBondContact O-N 2.94Å; D154-A156 VanDerWaalsContact OD1-CB 3.3Å; D154-A156 WeakPolarHBondContact OD1-CB 3.33Å; D154-A156 PolarHBondContact OD1-N 3.36Å; A156-L158 VanDerWaalsContact C-N 3.27Å; A156-L158 PolarHBondContact O-N 3.35Å
157	F	91.7	Very high	92.7	Very high	86 Å²	86	58.1 Å²	58.1	38%	0.377	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-79.2	-4.4	175.2	-65.9	-66.2	0	0	0	114	M81 F127 L133 V153 D154 E155 E159	M81-F157 HydrophobicContact CE-CD1 4.3Å; M81-F157 HydrophobicContact CE-CD2 4.06Å; M81-F157 HydrophobicContact CE-CE1 3.73Å; M81-F157 HydrophobicContact CE-CE2 3.46Å; M81-F157 VanDerWaalsContact CE-CE2 3.46Å; M81-F157 HydrophobicContact CE-CG 4.47Å; M81-F157 HydrophobicContact CE-CZ 3.28Å; M81-F157 HydrophobicContact SD-CE2 4.31Å; M81-F157 HydrophobicContact SD-CZ 4.11Å; F127-F157 HydrophobicContact CE2-CB 3.86Å; F127-F157 HydrophobicContact CE2-CD1 4.38Å; F127-F157 HydrophobicContact CE2-CG 4.14Å; F127-F157 HydrophobicContact CZ-CB 3.89Å; F127-F157 HydrophobicContact CZ-CD1 4.08Å; F127-F157 HydrophobicContact CZ-CD2 4.08Å; F127-F157 AromaticContact CZ-CG 3.75Å; F127-F157 HydrophobicContact CZ-CG 3.75Å; L133-F157 HydrophobicContact CB-CB 4.4Å; L133-F157 WeakPolarHBondContact CB-O 3.38Å; L133-F157 HydrophobicContact CD2-CB 4.19Å; V153-F157 HydrophobicContact CG1-CD2 4.25Å; D154-F157 HydrophobicContact CB-CD2 3.8Å; D154-F157 HydrophobicContact CB-CE2 3.75Å; D154-F157 VanDerWaalsContact O-CD2 3.27Å; D154-F157 WeakPolarHBondContact O-CD2 3.25Å; D154-F157 PolarHBondContact O-N 2.96Å; D154-F157 VanDerWaalsContact O-N 3.14Å; E155-F157 PolarHBondContact O-N 3.08Å; E155-F157 VanDerWaalsContact O-N 3.13Å; F157-E159 PolarHBondContact O-N 3.13Å
158	L	93.4	Very high	92.5	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.037	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-60.6	130.5	176.2	-94.3	86.7	0	0	0	111.4	L133 F135 L148 E155 A156 C162 Q163 F166	L133-L158 HydrophobicContact CD2-CD1 3.67Å; L133-L158 HydrophobicContact CD2-CG 4.3Å; L133-L158 HydrophobicContact CG-CD1 4.23Å; L133-L158 HydrophobicContact CG-CG 4.38Å; L133-L158 WeakPolarHBondContact O-CA 3.15Å; F135-L158 HydrophobicContact CB-CD2 4.04Å; L148-L158 HydrophobicContact CD1-CD1 4.09Å; E155-L158 HydrophobicContact CB-CD1 4.14Å; E155-L158 WeakPolarHBondContact O-CB 3.25Å; E155-L158 WeakPolarHBondContact O-CD1 3.29Å; E155-L158 PolarHBondContact O-N 2.9Å; A156-L158 VanDerWaalsContact C-N 3.27Å; A156-L158 PolarHBondContact O-N 3.35Å; L158-C162 HydrophobicContact CD2-CB 4.22Å; L158-Q163 HydrophobicContact CB-CB 4.45Å; L158-F166 HydrophobicContact CD2-CB 3.54Å; L158-F166 HydrophobicContact CD2-CD1 3.94Å; L158-F166 HydrophobicContact CD2-CD2 3.87Å; L158-F166 HydrophobicContact CD2-CG 3.5Å
159	E	94.2	Very high	92.4	Very high	64 Å²	64	64.8 Å²	64.8	30%	0.299	33%	0.333	S	S	.	.			trans	-62.5	148.5	175.2	-73.3	-71.3	146.1	0	0	112.1	K132 L133 F157 C161 C162 Q163	K132-E159 HydrophobicContact CB-CG 3.88Å; K132-E159 HydrophobicContact CG-CG 4.36Å; K132-E159 WeakPolarHBondContact CG-OE1 3.36Å; L133-E159 PolarHBondContact O-N 3.1Å; F157-E159 PolarHBondContact O-N 3.13Å; E159-C161 PolarHBondContact O-N 3.31Å; E159-C162 PolarHBondContact O-N 3.46Å; E159-Q163 WeakPolarHBondContact O-CB 3.37Å; E159-Q163 PolarHBondContact O-N 3.44Å
160	M	92.2	Very high	92.3	Very high	162 Å²	162	60.3 Å²	60.3	80%	0.798	31%	0.308	S	S	*	.	H	α-helix	trans	-54.1	-32.9	-175.6	-65.6	177.5	69.1	0	0	113.6	C162	M160-C162 PolarHBondContact O-N 3.06Å
161	C	92.2	Very high	92.1	Very high	97 Å²	97	63 Å²	63	66%	0.655	33%	0.325	S	S	*	.	H	α-helix	trans	-66.1	-23.9	178.2	65.5	0	0	0	0	113.5	H134 E159	H134-C161 PolarHBondContact CE1-SG 2.89Å; H134-C161 PolarHBondContact ND1-SG 3.24Å; E159-C161 PolarHBondContact O-N 3.31Å
162	C	92.3	Very high	91.6	Very high	21 Å²	21	66.6 Å²	66.6	14%	0.142	35%	0.35	C	S	.	.	H	α-helix	trans	-107.1	-27.7	179.8	-65.6	0	0	0	0	112.2	H134 F135 L158 E159 M160 Q164 R165 F166	H134-C162 PolarHBondContact ND1-SG 2.77Å; F135-C162 HydrophobicContact CB-CB 3.95Å; L158-C162 HydrophobicContact CD2-CB 4.22Å; E159-C162 PolarHBondContact O-N 3.46Å; M160-C162 PolarHBondContact O-N 3.06Å; C162-Q164 PolarHBondContact O-N 3.48Å; C162-R165 PolarHBondContact O-N 3.32Å; C162-F166 WeakPolarHBondContact O-CB 3.45Å; C162-F166 PolarHBondContact O-N 3.12Å
163	Q	92.1	Very high	91.2	Very high	69 Å²	69	65.9 Å²	65.9	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-57	-52	-169.8	-167.4	179.6	24	0	0	113	L158 E159 R165 F166 Y167	L158-Q163 HydrophobicContact CB-CB 4.45Å; E159-Q163 WeakPolarHBondContact O-CB 3.37Å; E159-Q163 PolarHBondContact O-N 3.44Å; Q163-R165 PolarHBondContact O-N 2.91Å; Q163-F166 PolarHBondContact O-N 3.37Å; Q163-Y167 HydrophobicContact CG-CD2 3.79Å; Q163-Y167 HydrophobicContact CG-CE2 3.63Å; Q163-Y167 VanDerWaalsContact O-CD2 3.24Å; Q163-Y167 WeakPolarHBondContact O-CD2 3.46Å; Q163-Y167 PolarHBondContact O-N 3.09Å
164	Q	91	Very high	90.8	Very high	134 Å²	134	70 Å²	70	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-61.3	-44.5	-179.1	-177.2	177.8	-10.2	0	0	111.8	C162 Q168	C162-Q164 PolarHBondContact O-N 3.48Å; Q164-Q168 HydrophobicContact CG-CG 4.48Å; Q164-Q168 WeakPolarHBondContact O-CB 3.06Å; Q164-Q168 WeakPolarHBondContact O-CG 3.45Å; Q164-Q168 PolarHBondContact O-N 2.7Å
165	R	90.5	Very high	90.3	Very high	108 Å²	108	69.6 Å²	69.6	41%	0.408	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-42.5	179.2	-177.3	177	177.2	-174	-7.8	111.6	D137 C162 Q163 L169	D137-R165 VanDerWaalsContact CG-NH1 3.26Å; D137-R165 IonicContact OD1-CZ 3.88Å; D137-R165 IonicContact OD1-NE 3.6Å; D137-R165 IonicContact OD1-NH1 2.61Å; D137-R165 PolarHBondContact OD1-NH1 2.89Å; D137-R165 VanDerWaalsContact OD1-NH1 3.11Å; D137-R165 IonicContact OD1-NH2 2.75Å; D137-R165 PolarHBondContact OD1-NH2 3.5Å; D137-R165 IonicContact OD2-CZ 2.99Å; D137-R165 IonicContact OD2-NH1 3.99Å; D137-R165 PolarHBondContact OD2-NH1 3.07Å; D137-R165 IonicContact OD2-NH2 3.5Å; D137-R165 PolarHBondContact OD2-NH2 3.05Å; C162-R165 PolarHBondContact O-N 3.32Å; Q163-R165 PolarHBondContact O-N 2.91Å; R165-L169 VanDerWaalsContact O-CB 3.31Å; R165-L169 WeakPolarHBondContact O-CB 3.49Å; R165-L169 PolarHBondContact O-N 3.41Å
166	F	93.3	Very high	89.5	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59.6	-52.2	178.1	179.5	-96.7	0	0	0	111.4	F135 V141 F144 T145 E155 L158 C162 Q163 L169 K170	F135-F166 HydrophobicContact CB-CD2 4.29Å; F135-F166 HydrophobicContact CD1-CD2 4.46Å; F135-F166 AromaticContact CD2-CD2 3.5Å; F135-F166 HydrophobicContact CD2-CD2 3.5Å; F135-F166 AromaticContact CD2-CE2 3.89Å; F135-F166 HydrophobicContact CD2-CE2 3.89Å; F135-F166 AromaticContact CE2-CD2 3.88Å; F135-F166 HydrophobicContact CE2-CD2 3.88Å; F135-F166 HydrophobicContact CE2-CE2 4.08Å; F135-F166 AromaticContact CG-CD2 3.82Å; F135-F166 HydrophobicContact CG-CD2 3.82Å; F135-F166 HydrophobicContact CZ-CD2 4.5Å; V141-F166 HydrophobicContact CG2-CD2 3.43Å; V141-F166 VanDerWaalsContact CG2-CD2 3.43Å; V141-F166 HydrophobicContact CG2-CE2 3.31Å; V141-F166 HydrophobicContact CG2-CG 4.11Å; V141-F166 HydrophobicContact CG2-CZ 3.92Å; F144-F166 AromaticContact CD1-CE2 3.8Å; F144-F166 HydrophobicContact CD1-CE2 3.8Å; T145-F166 WeakPolarHBondContact OG1-CZ 3.44Å; E155-F166 HydrophobicContact CB-CE1 4.22Å; L158-F166 HydrophobicContact CD2-CB 3.54Å; L158-F166 HydrophobicContact CD2-CD1 3.94Å; L158-F166 HydrophobicContact CD2-CD2 3.87Å; L158-F166 HydrophobicContact CD2-CG 3.5Å; C162-F166 WeakPolarHBondContact O-CB 3.45Å; C162-F166 PolarHBondContact O-N 3.12Å; Q163-F166 PolarHBondContact O-N 3.37Å; F166-L169 PolarHBondContact O-N 3.21Å; F166-K170 HydrophobicContact CE1-CD 4.09Å; F166-K170 VanDerWaalsContact O-CB 3.31Å; F166-K170 WeakPolarHBondContact O-CB 3.29Å; F166-K170 PolarHBondContact O-N 3.37Å
167	Y	93	Very high	88.9	Confident	67 Å²	67	71.4 Å²	71.4	26%	0.263	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-41.7	179.6	-76.9	-64.6	0	0	0	112.6	E155 Q163 L169 K170 D171	E155-Y167 WeakPolarHBondContact OE1-CE1 3.41Å; E155-Y167 PolarHBondContact OE1-OH 3.26Å; Q163-Y167 HydrophobicContact CG-CD2 3.79Å; Q163-Y167 HydrophobicContact CG-CE2 3.63Å; Q163-Y167 VanDerWaalsContact O-CD2 3.24Å; Q163-Y167 WeakPolarHBondContact O-CD2 3.46Å; Q163-Y167 PolarHBondContact O-N 3.09Å; Y167-L169 VanDerWaalsContact C-N 3.33Å; Y167-L169 PolarHBondContact O-N 3.39Å; Y167-K170 PolarHBondContact O-N 3.2Å; Y167-D171 WeakPolarHBondContact O-CB 3.24Å; Y167-D171 VanDerWaalsContact O-CG 3.26Å; Y167-D171 PolarHBondContact O-N 3.45Å
168	Q	91.1	Very high	88.2	Confident	115 Å²	115	72.8 Å²	72.8	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-59.4	-43.2	175.4	-75.5	176.8	-8.6	0	0	112.4	Q164 S172	Q164-Q168 HydrophobicContact CG-CG 4.48Å; Q164-Q168 WeakPolarHBondContact O-CB 3.06Å; Q164-Q168 WeakPolarHBondContact O-CG 3.45Å; Q164-Q168 PolarHBondContact O-N 2.7Å; Q168-S172 WeakPolarHBondContact O-CB 3.49Å; Q168-S172 PolarHBondContact O-N 3.23Å
169	L	91.2	Very high	87.3	Confident	45 Å²	45	77.8 Å²	77.8	24%	0.236	38%	0.377	C	S	.	.	H	α-helix	trans	-68.9	-42.6	178.9	-167.6	61.5	0	0	0	111.5	F135 V141 R165 F166 Y167 I173 F532	F135-L169 HydrophobicContact CE1-CD2 4.22Å; F135-L169 HydrophobicContact CZ-CD2 4.32Å; V141-L169 HydrophobicContact CB-CD2 4.09Å; V141-L169 HydrophobicContact CB-CG 4.2Å; V141-L169 HydrophobicContact CG1-CG 4.21Å; V141-L169 HydrophobicContact CG2-CB 4.46Å; R165-L169 VanDerWaalsContact O-CB 3.31Å; R165-L169 WeakPolarHBondContact O-CB 3.49Å; R165-L169 PolarHBondContact O-N 3.41Å; F166-L169 PolarHBondContact O-N 3.21Å; Y167-L169 VanDerWaalsContact C-N 3.33Å; Y167-L169 PolarHBondContact O-N 3.39Å; L169-I173 HydrophobicContact CD1-CD1 4.06Å; L169-I173 HydrophobicContact CG-CD1 3.9Å; L169-I173 WeakPolarHBondContact O-CB 3.46Å; L169-I173 WeakPolarHBondContact O-CD1 3.4Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.44Å; L169-I173 PolarHBondContact O-N 3.19Å; L169-F532 HydrophobicContact CD1-CD1 4.05Å; L169-F532 HydrophobicContact CD1-CE1 3.57Å; L169-F532 HydrophobicContact CG-CE1 4.44Å
170	K	91.2	Very high	86.1	Confident	25 Å²	25	77 Å²	77	11%	0.109	38%	0.375	C	S	.	.	H	α-helix	trans	-59.5	-53	176.1	-173.8	178	177.4	-178.6	0	110.8	V141 L142 E155 F166 Y167 S172 I173 Q174	V141-K170 HydrophobicContact CG1-CB 4.2Å; V141-K170 HydrophobicContact CG2-CB 3.9Å; L142-K170 HydrophobicContact CD2-CG 4.46Å; E155-K170 IonicContact OE1-NZ 2.83Å; E155-K170 PolarHBondContact OE1-NZ 3.4Å; E155-K170 IonicContact OE2-NZ 2.8Å; E155-K170 PolarHBondContact OE2-NZ 2.96Å; F166-K170 HydrophobicContact CE1-CD 4.09Å; F166-K170 VanDerWaalsContact O-CB 3.31Å; F166-K170 WeakPolarHBondContact O-CB 3.29Å; F166-K170 PolarHBondContact O-N 3.37Å; Y167-K170 PolarHBondContact O-N 3.2Å; K170-S172 PolarHBondContact O-N 2.85Å; K170-I173 PolarHBondContact O-N 3.34Å; K170-Q174 WeakPolarHBondContact O-CB 2.99Å; K170-Q174 VanDerWaalsContact O-CG 3.29Å; K170-Q174 WeakPolarHBondContact O-CG 3.4Å; K170-Q174 PolarHBondContact O-N 2.93Å
171	D	90.3	Very high	85.2	Confident	96 Å²	96	72.5 Å²	72.5	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-63.1	-43.7	-179.2	-70.5	-12.3	0	0	0	111.5	Y167 I173 Q174 E175	Y167-D171 WeakPolarHBondContact O-CB 3.24Å; Y167-D171 VanDerWaalsContact O-CG 3.26Å; Y167-D171 PolarHBondContact O-N 3.45Å; D171-I173 PolarHBondContact O-N 3.23Å; D171-Q174 PolarHBondContact O-N 3.15Å; D171-E175 VanDerWaalsContact O-CB 3.25Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 PolarHBondContact O-N 3.41Å
172	S	84.7	Confident	84.2	Confident	75 Å²	75	71.4 Å²	71.4	52%	0.524	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-45.6	178.3	-177.9	0	0	0	0	112.2	Q168 K170 E176	Q168-S172 WeakPolarHBondContact O-CB 3.49Å; Q168-S172 PolarHBondContact O-N 3.23Å; K170-S172 PolarHBondContact O-N 2.85Å; S172-E176 WeakPolarHBondContact O-CB 3.49Å; S172-E176 PolarHBondContact O-N 3.48Å
173	I	84.1	Confident	83	Confident	11 Å²	11	74.3 Å²	74.3	6%	0.056	35%	0.354	C	S	.	.	H	α-helix	trans	-70.9	-42.6	-179	-66.8	167	0	0	0	110.3	V141 L142 L169 K170 D171 E175 E176 M177 F532	V141-I173 HydrophobicContact CG1-CD1 3.62Å; L142-I173 HydrophobicContact CD1-CG2 3.73Å; L142-I173 HydrophobicContact CG-CG2 4.28Å; L169-I173 HydrophobicContact CD1-CD1 4.06Å; L169-I173 HydrophobicContact CG-CD1 3.9Å; L169-I173 WeakPolarHBondContact O-CB 3.46Å; L169-I173 WeakPolarHBondContact O-CD1 3.4Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.44Å; L169-I173 PolarHBondContact O-N 3.19Å; K170-I173 PolarHBondContact O-N 3.34Å; D171-I173 PolarHBondContact O-N 3.23Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 PolarHBondContact O-N 3.07Å; I173-E176 PolarHBondContact O-N 2.94Å; I173-M177 HydrophobicContact CG2-CG 4.28Å; I173-M177 HydrophobicContact CG2-SD 3.95Å; I173-M177 WeakPolarHBondContact O-CB 3.45Å; I173-M177 VanDerWaalsContact O-CG 3.27Å; I173-M177 WeakPolarHBondContact O-CG 3.48Å; I173-M177 PolarHBondContact O-N 3.01Å; I173-F532 HydrophobicContact CD1-CE1 3.77Å; I173-F532 HydrophobicContact CD1-CE2 4.19Å; I173-F532 HydrophobicContact CD1-CZ 3.29Å; I173-F532 HydrophobicContact CG1-CE1 4.29Å; I173-F532 HydrophobicContact CG1-CZ 3.81Å
174	Q	85.3	Confident	81.7	Confident	90 Å²	90	74.2 Å²	74.2	42%	0.421	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-40.4	178.3	-74.2	-175.2	-38.6	0	0	111.9	L142 K170 D171 M177 R178	L142-Q174 HydrophobicContact CD2-CG 3.87Å; K170-Q174 WeakPolarHBondContact O-CB 2.99Å; K170-Q174 VanDerWaalsContact O-CG 3.29Å; K170-Q174 WeakPolarHBondContact O-CG 3.4Å; K170-Q174 PolarHBondContact O-N 2.93Å; D171-Q174 PolarHBondContact O-N 3.15Å; Q174-M177 PolarHBondContact O-N 2.8Å; Q174-R178 WeakPolarHBondContact O-CB 3.42Å; Q174-R178 PolarHBondContact O-N 2.92Å
175	E	82	Confident	80.5	Confident	84 Å²	84	72.1 Å²	72.1	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-68.4	-39.1	176.7	-174.7	60.2	-162.1	0	0	111.9	D171 I173 R178 K179	D171-E175 VanDerWaalsContact O-CB 3.25Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 PolarHBondContact O-N 3.41Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 PolarHBondContact O-N 3.07Å; E175-R178 PolarHBondContact O-N 3.33Å; E175-K179 HydrophobicContact CG-CD 4.46Å; E175-K179 WeakPolarHBondContact O-CB 3.46Å; E175-K179 VanDerWaalsContact O-CG 3.32Å; E175-K179 WeakPolarHBondContact O-CG 3.4Å; E175-K179 PolarHBondContact O-N 3.48Å; E175-K179 WeakPolarHBondContact OE1-CE 3.33Å; E175-K179 IonicContact OE1-NZ 3.86Å
176	E	73.5	Confident	79.1	Confident	57 Å²	57	71.2 Å²	71.2	27%	0.266	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-48.2	173.9	-166.7	-174.1	-175.6	0	0	111.2	S172 I173 R178 K179 D180 R531	S172-E176 WeakPolarHBondContact O-CB 3.49Å; S172-E176 PolarHBondContact O-N 3.48Å; I173-E176 PolarHBondContact O-N 2.94Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.4Å; E176-K179 PolarHBondContact O-N 3.39Å; E176-D180 PolarHBondContact O-N 3.03Å; E176-R531 IonicContact OE1-NH2 2.74Å; E176-R531 PolarHBondContact OE1-NH2 3.03Å; E176-R531 VanDerWaalsContact OE1-NH2 3.15Å; E176-R531 IonicContact OE2-CZ 3.08Å; E176-R531 IonicContact OE2-NE 2.66Å; E176-R531 IonicContact OE2-NH2 2.67Å; E176-R531 PolarHBondContact OE2-NH2 3.4Å
177	M	76.9	Confident	77.6	Confident	87 Å²	87	73.7 Å²	73.7	43%	0.429	36%	0.362	S	S	.	.	H	α-helix	trans	-60.5	-39.7	175.7	-74.1	-177.4	68.5	0	0	111.8	L142 I173 Q174 D180 C181	L142-M177 HydrophobicContact CD1-SD 3.53Å; L142-M177 VanDerWaalsContact CD1-SD 3.53Å; I173-M177 HydrophobicContact CG2-CG 4.28Å; I173-M177 HydrophobicContact CG2-SD 3.95Å; I173-M177 WeakPolarHBondContact O-CB 3.45Å; I173-M177 VanDerWaalsContact O-CG 3.27Å; I173-M177 WeakPolarHBondContact O-CG 3.48Å; I173-M177 PolarHBondContact O-N 3.01Å; Q174-M177 PolarHBondContact O-N 2.8Å; M177-D180 PolarHBondContact O-N 3.25Å; M177-C181 WeakPolarHBondContact O-CB 3.4Å; M177-C181 PolarHBondContact O-N 3.38Å
178	R	78.1	Confident	75.9	Confident	115 Å²	115	75.8 Å²	75.8	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-63.8	-48.5	175.9	-179.5	-179.7	177	164.6	-1.6	111	Q174 E175 E176 D180 C181 E182	Q174-R178 WeakPolarHBondContact O-CB 3.42Å; Q174-R178 PolarHBondContact O-N 2.92Å; E175-R178 PolarHBondContact O-N 3.33Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.4Å; R178-D180 VanDerWaalsContact C-N 3.32Å; R178-D180 PolarHBondContact O-N 3.24Å; R178-C181 PolarHBondContact O-N 3.44Å; R178-E182 HydrophobicContact CG-CG 4.26Å; R178-E182 IonicContact CZ-OE1 2.73Å; R178-E182 IonicContact NE-OE1 3.1Å; R178-E182 PolarHBondContact NE-OE1 3.3Å; R178-E182 IonicContact NH2-OE1 3.32Å; R178-E182 PolarHBondContact NH2-OE1 2.98Å; R178-E182 WeakPolarHBondContact O-CB 3.47Å; R178-E182 WeakPolarHBondContact O-CG 3.37Å; R178-E182 PolarHBondContact O-N 3.07Å
179	K	75	Confident	74	Confident	111 Å²	111	73 Å²	73	48%	0.483	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-41.4	177	-75.3	172.4	-176.3	165.8	0	111.9	E175 E176 F183	E175-K179 HydrophobicContact CG-CD 4.46Å; E175-K179 WeakPolarHBondContact O-CB 3.46Å; E175-K179 VanDerWaalsContact O-CG 3.32Å; E175-K179 WeakPolarHBondContact O-CG 3.4Å; E175-K179 PolarHBondContact O-N 3.48Å; E175-K179 WeakPolarHBondContact OE1-CE 3.33Å; E175-K179 IonicContact OE1-NZ 3.86Å; E176-K179 PolarHBondContact O-N 3.39Å; K179-F183 WeakPolarHBondContact O-CB 3.3Å; K179-F183 PolarHBondContact O-N 3.04Å
180	D	68.7	Low	72.4	Confident	47 Å²	47	71.9 Å²	71.9	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-69.2	-39	177.1	-76.7	-11.9	0	0	0	111.7	E176 M177 R178 F183 M184 R458	E176-D180 PolarHBondContact O-N 3.03Å; M177-D180 PolarHBondContact O-N 3.25Å; R178-D180 VanDerWaalsContact C-N 3.32Å; R178-D180 PolarHBondContact O-N 3.24Å; D180-F183 PolarHBondContact O-N 3.11Å; D180-M184 WeakPolarHBondContact O-CB 3.14Å; D180-M184 VanDerWaalsContact O-CG 3.29Å; D180-M184 WeakPolarHBondContact O-CG 3.32Å; D180-M184 PolarHBondContact O-N 3.25Å; D180-R458 IonicContact OD1-CZ 3.58Å; D180-R458 IonicContact OD1-NE 3.38Å; D180-R458 PolarHBondContact OD1-NE 3.13Å; D180-R458 VanDerWaalsContact OD1-NE 3.1Å; D180-R458 IonicContact OD1-NH2 3.92Å; D180-R458 PolarHBondContact OD1-NH2 3.01Å
181	C	72.7	Confident	71.1	Confident	68 Å²	68	72.7 Å²	72.7	46%	0.459	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-46.4	173.8	-170.7	0	0	0	0	111.5	M177 R178 F183 M184 L185	M177-C181 WeakPolarHBondContact O-CB 3.4Å; M177-C181 PolarHBondContact O-N 3.38Å; R178-C181 PolarHBondContact O-N 3.44Å; C181-F183 VanDerWaalsContact C-N 3.31Å; C181-F183 PolarHBondContact O-N 3.32Å; C181-M184 PolarHBondContact O-N 2.81Å; C181-L185 WeakPolarHBondContact O-CB 3.25Å; C181-L185 PolarHBondContact O-N 2.81Å
182	E	71.6	Confident	69.8	Low	74 Å²	74	77.2 Å²	77.2	35%	0.346	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-38.7	175.4	-76	-178.9	-177	0	0	111.3	R178 N186	R178-E182 HydrophobicContact CG-CG 4.26Å; R178-E182 IonicContact CZ-OE1 2.73Å; R178-E182 IonicContact NE-OE1 3.1Å; R178-E182 PolarHBondContact NE-OE1 3.3Å; R178-E182 IonicContact NH2-OE1 3.32Å; R178-E182 PolarHBondContact NH2-OE1 2.98Å; R178-E182 WeakPolarHBondContact O-CB 3.47Å; R178-E182 WeakPolarHBondContact O-CG 3.37Å; R178-E182 PolarHBondContact O-N 3.07Å; E182-N186 WeakPolarHBondContact O-CB 3.16Å; E182-N186 VanDerWaalsContact O-CG 3.25Å; E182-N186 PolarHBondContact O-N 2.83Å; E182-N186 PolarHBondContact O-ND2 3.42Å; E182-N186 VanDerWaalsContact O-ND2 3.07Å
183	F	66.6	Low	69.3	Low	83 Å²	83	75 Å²	75	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-49.9	174.1	-177.2	-91.5	0	0	0	111.1	K179 D180 C181 L185 N186 E187	K179-F183 WeakPolarHBondContact O-CB 3.3Å; K179-F183 PolarHBondContact O-N 3.04Å; D180-F183 PolarHBondContact O-N 3.11Å; C181-F183 VanDerWaalsContact C-N 3.31Å; C181-F183 PolarHBondContact O-N 3.32Å; F183-L185 VanDerWaalsContact C-N 3.34Å; F183-L185 PolarHBondContact O-N 3.45Å; F183-N186 PolarHBondContact O-N 3.26Å; F183-E187 PolarHBondContact O-N 3.41Å
184	M	65.2	Low	68.6	Low	66 Å²	66	77.1 Å²	77.1	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-37.1	178.3	-71.4	-138.1	-76.2	0	0	112.5	D180 C181 E187 H188	D180-M184 WeakPolarHBondContact O-CB 3.14Å; D180-M184 VanDerWaalsContact O-CG 3.29Å; D180-M184 WeakPolarHBondContact O-CG 3.32Å; D180-M184 PolarHBondContact O-N 3.25Å; C181-M184 PolarHBondContact O-N 2.81Å; M184-E187 PolarHBondContact O-N 3.22Å; M184-H188 WeakPolarHBondContact O-CB 3.41Å; M184-H188 PolarHBondContact O-CD2 3.06Å; M184-H188 PolarHBondContact O-N 3.36Å
185	L	65	Low	67.8	Low	90 Å²	90	81.1 Å²	81.1	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-68.5	-41.3	174.3	-169.2	77.1	0	0	0	110.6	C181 F183 E187 H188 T189	C181-L185 WeakPolarHBondContact O-CB 3.25Å; C181-L185 PolarHBondContact O-N 2.81Å; F183-L185 VanDerWaalsContact C-N 3.34Å; F183-L185 PolarHBondContact O-N 3.45Å; L185-E187 VanDerWaalsContact C-N 3.34Å; L185-H188 PolarHBondContact O-N 3.48Å; L185-T189 HydrophobicContact CD1-CG2 4.35Å; L185-T189 HydrophobicContact CG-CG2 4.06Å; L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.18Å; L185-T189 WeakPolarHBondContact O-CG2 3.35Å; L185-T189 PolarHBondContact O-N 2.9Å; L185-T189 PolarHBondContact O-OG1 3.48Å
186	N	61.4	Low	67.5	Low	89 Å²	89	79 Å²	79	48%	0.476	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-39.7	174.1	-83.9	-41.4	0	0	0	111.4	E182 F183 T189 T190	E182-N186 WeakPolarHBondContact O-CB 3.16Å; E182-N186 VanDerWaalsContact O-CG 3.25Å; E182-N186 PolarHBondContact O-N 2.83Å; E182-N186 PolarHBondContact O-ND2 3.42Å; E182-N186 VanDerWaalsContact O-ND2 3.07Å; F183-N186 PolarHBondContact O-N 3.26Å; N186-T189 WeakPolarHBondContact CA-OG1 3.22Å; N186-T189 PolarHBondContact O-OG1 3.45Å; N186-T190 VanDerWaalsContact O-CB 3.25Å; N186-T190 WeakPolarHBondContact O-CB 3.45Å; N186-T190 WeakPolarHBondContact O-CG2 3.43Å; N186-T190 PolarHBondContact O-N 2.84Å; N186-T190 PolarHBondContact O-OG1 2.76Å
187	E	62.1	Low	67.7	Low	52 Å²	52	85.1 Å²	85.1	24%	0.243	43%	0.427	C	S	.	.	H	α-helix	trans	-61.4	-52.1	173	-159.9	-179.9	153.3	0	0	110.2	F183 M184 L185 T189 T190 E191 K211	F183-E187 PolarHBondContact O-N 3.41Å; M184-E187 PolarHBondContact O-N 3.22Å; L185-E187 VanDerWaalsContact C-N 3.34Å; E187-T189 PolarHBondContact O-N 3.41Å; E187-T190 PolarHBondContact O-N 2.81Å; E187-T190 PolarHBondContact O-OG1 3.39Å; E187-E191 WeakPolarHBondContact O-CB 3.27Å; E187-E191 VanDerWaalsContact O-CG 3.3Å; E187-E191 WeakPolarHBondContact O-CG 3.43Å; E187-E191 PolarHBondContact O-N 3.5Å; E187-K211 IonicContact OE1-NZ 2.86Å; E187-K211 PolarHBondContact OE1-NZ 3.06Å
188	H	56.7	Low	67.9	Low	112 Å²	112	85.4 Å²	85.4	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-65.7	-38.5	179.3	-90.1	-65	0	0	0	114.8	M184 L185 E191	M184-H188 WeakPolarHBondContact O-CB 3.41Å; M184-H188 PolarHBondContact O-CD2 3.06Å; M184-H188 PolarHBondContact O-N 3.36Å; L185-H188 PolarHBondContact O-N 3.48Å; H188-E191 PolarHBondContact O-N 3.35Å
189	T	52.7	Low	68.1	Low	55 Å²	55	80.4 Å²	80.4	34%	0.337	42%	0.419	S	S	.	.	H	α-helix	trans	-74.1	-33.7	178.7	52.2	0	0	0	0	111.5	L185 N186 E187 E191	L185-T189 HydrophobicContact CD1-CG2 4.35Å; L185-T189 HydrophobicContact CG-CG2 4.06Å; L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.18Å; L185-T189 WeakPolarHBondContact O-CG2 3.35Å; L185-T189 PolarHBondContact O-N 2.9Å; L185-T189 PolarHBondContact O-OG1 3.48Å; N186-T189 WeakPolarHBondContact CA-OG1 3.22Å; N186-T189 PolarHBondContact O-OG1 3.45Å; E187-T189 PolarHBondContact O-N 3.41Å; T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.4Å
190	T	56.8	Low	68.5	Low	23 Å²	23	81.8 Å²	81.8	14%	0.141	43%	0.425	C	S	.	.	H	α-helix	trans	-70.1	-26.9	172.7	56.7	0	0	0	0	112.4	N186 E187 R192 P283 K287	N186-T190 VanDerWaalsContact O-CB 3.25Å; N186-T190 WeakPolarHBondContact O-CB 3.45Å; N186-T190 WeakPolarHBondContact O-CG2 3.43Å; N186-T190 PolarHBondContact O-N 2.84Å; N186-T190 PolarHBondContact O-OG1 2.76Å; E187-T190 PolarHBondContact O-N 2.81Å; E187-T190 PolarHBondContact O-OG1 3.39Å; T190-R192 PolarHBondContact O-N 3Å; T190-P283 VanDerWaalsContact O-CB 3.27Å; T190-P283 WeakPolarHBondContact O-CB 3.36Å; T190-P283 WeakPolarHBondContact O-CG 3.5Å; T190-K287 HydrophobicContact CG2-CD 3.98Å
191	E	63.3	Low	69.4	Low	41 Å²	41	83.4 Å²	83.4	19%	0.192	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	29	179.4	-66.6	-173	162.3	0	0	114.2	E187 H188 T189 F193 W206 K211	E187-E191 WeakPolarHBondContact O-CB 3.27Å; E187-E191 VanDerWaalsContact O-CG 3.3Å; E187-E191 WeakPolarHBondContact O-CG 3.43Å; E187-E191 PolarHBondContact O-N 3.5Å; H188-E191 PolarHBondContact O-N 3.35Å; T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.4Å; E191-F193 HydrophobicContact CB-CE2 4.11Å; E191-F193 WeakPolarHBondContact O-CD2 3.47Å; E191-F193 PolarHBondContact O-N 3.34Å; E191-W206 PolarHBondContact OE1-NE1 3.19Å; E191-W206 VanDerWaalsContact OE1-NE1 3.14Å; E191-K211 VanDerWaalsContact CD-NZ 3.25Å; E191-K211 WeakPolarHBondContact OE1-CE 3.39Å; E191-K211 IonicContact OE1-NZ 3.41Å; E191-K211 PolarHBondContact OE1-NZ 3.37Å; E191-K211 IonicContact OE2-NZ 3.75Å; E191-K211 PolarHBondContact OE2-NZ 3.45Å
192	R	64.1	Low	70.2	Confident	192 Å²	192	83.3 Å²	83.3	73%	0.725	42%	0.423	S	S	*	.			trans	-81.5	101.6	169	-68.7	-172.6	-179.7	-179.3	0.3	110.2	T190 G194	T190-R192 PolarHBondContact O-N 3Å; R192-G194 VanDerWaalsContact C-N 3.33Å
193	F	72.9	Confident	70.9	Confident	29 Å²	29	83.6 Å²	83.6	13%	0.127	43%	0.426	C	S	.	.			trans	-81.5	-10.5	177.1	-69.4	-95.4	0	0	0	113.7	E191 A199 R202 M203 W206 A281 P283	E191-F193 HydrophobicContact CB-CE2 4.11Å; E191-F193 WeakPolarHBondContact O-CD2 3.47Å; E191-F193 PolarHBondContact O-N 3.34Å; F193-A199 HydrophobicContact CB-CB 4.05Å; F193-A199 WeakPolarHBondContact O-CB 3.41Å; F193-R202 HydrophobicContact CD1-CB 3.73Å; F193-R202 HydrophobicContact CE1-CB 4.06Å; F193-M203 HydrophobicContact CD1-CB 4.22Å; F193-M203 HydrophobicContact CD2-CB 3.75Å; F193-M203 HydrophobicContact CD2-CG 3.85Å; F193-M203 HydrophobicContact CD2-SD 4.45Å; F193-M203 HydrophobicContact CE1-CB 4.41Å; F193-M203 HydrophobicContact CE2-CB 4.01Å; F193-M203 HydrophobicContact CE2-CG 3.91Å; F193-M203 HydrophobicContact CG-CB 3.9Å; F193-M203 HydrophobicContact CZ-CB 4.35Å; F193-W206 HydrophobicContact CE1-CB 3.91Å; F193-W206 HydrophobicContact CE1-CG 4.23Å; F193-W206 HydrophobicContact CE2-CG 4.49Å; F193-W206 HydrophobicContact CZ-CB 3.54Å; F193-W206 AromaticContact CZ-CD1 3.67Å; F193-W206 HydrophobicContact CZ-CD2 4.21Å; F193-W206 AromaticContact CZ-CG 3.52Å; F193-W206 HydrophobicContact CZ-CG 3.52Å; F193-A281 VanDerWaalsContact CE1-O 3.23Å; F193-A281 WeakPolarHBondContact CE1-O 3.35Å; F193-P283 HydrophobicContact CD1-CB 4.43Å; F193-P283 HydrophobicContact CE1-CB 4.3Å; F193-P283 HydrophobicContact CZ-CB 4.33Å; F193-P283 HydrophobicContact CZ-CG 4.26Å
194	G	69.6	Low	71.9	Confident	54 Å²	54	86.7 Å²	86.7	56%	0.557	44%	0.439	S	S	*	.			trans	81.9	-178.1	-169.8	0	0	0	0	0	112.5	R192 A199	R192-G194 VanDerWaalsContact C-N 3.33Å; G194-A199 WeakPolarHBondContact O-CB 3.48Å
195	D	67.8	Low	73.1	Confident	174 Å²	174	84.5 Å²	84.5	93%	0.93	43%	0.432	S	S	*	.	S	Bend	trans	-97	142.8	176.5	-66.7	-45.4	0	0	0	111.3
196	G	77.3	Confident	74.3	Confident	41 Å²	41	80.5 Å²	80.5	42%	0.423	41%	0.41	S	S	.	.	S	Bend	trans	134.9	169.3	177.3	0	0	0	0	0	114.3	A199 K200	G196-A199 PolarHBondContact O-N 3.33Å; G196-K200 PolarHBondContact O-N 2.8Å; G196-K200 VanDerWaalsContact O-N 3.14Å
197	Y	76.9	Confident	75.5	Confident	185 Å²	185	78.5 Å²	78.5	73%	0.725	40%	0.399	S	S	*	.	H	α-helix	trans	-64.6	-46.1	-179.7	-176.6	-96.1	0	0	0	112.1	A199 K200 L201	Y197-A199 VanDerWaalsContact C-N 3.27Å; Y197-A199 PolarHBondContact O-N 3.09Å; Y197-K200 PolarHBondContact O-N 3.4Å; Y197-L201 PolarHBondContact O-N 3.48Å
198	C	81.4	Confident	76.9	Confident	92 Å²	92	78.7 Å²	78.7	62%	0.622	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-35	176.9	-64.9	0	0	0	0	112.4	L201 R202	C198-L201 PolarHBondContact O-N 2.72Å; C198-R202 WeakPolarHBondContact O-CB 3.32Å; C198-R202 VanDerWaalsContact O-CG 3.3Å; C198-R202 WeakPolarHBondContact O-CG 3.33Å; C198-R202 PolarHBondContact O-N 3.41Å
199	A	83.1	Confident	78.5	Confident	11 Å²	11	74.5 Å²	74.5	9%	0.091	38%	0.383	C	S	.	.	H	α-helix	trans	-66	-44.6	175.8	0	0	0	0	0	111.5	F193 G194 G196 Y197 L201 R202 M203	F193-A199 HydrophobicContact CB-CB 4.05Å; F193-A199 WeakPolarHBondContact O-CB 3.41Å; G194-A199 WeakPolarHBondContact O-CB 3.48Å; G196-A199 PolarHBondContact O-N 3.33Å; Y197-A199 VanDerWaalsContact C-N 3.27Å; Y197-A199 PolarHBondContact O-N 3.09Å; A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.44Å; A199-R202 PolarHBondContact O-N 2.77Å; A199-M203 WeakPolarHBondContact O-CB 3.27Å; A199-M203 PolarHBondContact O-N 2.87Å
200	K	82.4	Confident	80.1	Confident	140 Å²	140	73.6 Å²	73.6	61%	0.609	38%	0.375	S	S	*	.	H	α-helix	trans	-61.5	-41	174.1	-68.8	180	-177.1	-179.3	0	112	G196 Y197 M203 K204	G196-K200 PolarHBondContact O-N 2.8Å; G196-K200 VanDerWaalsContact O-N 3.14Å; Y197-K200 PolarHBondContact O-N 3.4Å; K200-M203 PolarHBondContact O-N 3.15Å; K200-K204 WeakPolarHBondContact O-CG 3.31Å; K200-K204 PolarHBondContact O-N 3.18Å
201	L	87	Confident	81.2	Confident	80 Å²	80	75.1 Å²	75.1	42%	0.419	38%	0.38	S	S	.	.	H	α-helix	trans	-65.8	-45.6	177.1	-173.8	65	0	0	0	111.5	Y197 C198 A199 M203 K204 A205 W280	Y197-L201 PolarHBondContact O-N 3.48Å; C198-L201 PolarHBondContact O-N 2.72Å; A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.44Å; L201-M203 VanDerWaalsContact C-N 3.34Å; L201-M203 PolarHBondContact O-N 3.02Å; L201-K204 PolarHBondContact O-N 3.49Å; L201-A205 WeakPolarHBondContact O-CB 3.2Å; L201-A205 PolarHBondContact O-N 2.93Å; L201-W280 HydrophobicContact CD2-CH2 4.05Å; L201-W280 HydrophobicContact CG-CH2 4.16Å
202	R	90	Very high	82.1	Confident	66 Å²	66	75.8 Å²	75.8	25%	0.249	39%	0.388	C	S	.	.	H	α-helix	trans	-60.9	-41.3	175.2	-76.7	172.4	62.4	173	-6.3	112.2	F193 C198 A199 A205 W206 W280 A281 A282	F193-R202 HydrophobicContact CD1-CB 3.73Å; F193-R202 HydrophobicContact CE1-CB 4.06Å; C198-R202 WeakPolarHBondContact O-CB 3.32Å; C198-R202 VanDerWaalsContact O-CG 3.3Å; C198-R202 WeakPolarHBondContact O-CG 3.33Å; C198-R202 PolarHBondContact O-N 3.41Å; A199-R202 PolarHBondContact O-N 2.77Å; R202-A205 PolarHBondContact O-N 2.99Å; R202-W206 WeakPolarHBondContact O-CB 3.44Å; R202-W206 PolarHBondContact O-N 2.8Å; R202-W280 HydrophobicContact CG-CH2 3.97Å; R202-W280 HydrophobicContact CG-CZ2 4.09Å; R202-W280 HydrophobicContact CG-CZ3 4.18Å; R202-W280 PolarHBondContact NE-O 3.34Å; R202-A281 PolarHBondContact NE-O 3.43Å; R202-A282 PolarHBondContact NH2-O 2.9Å
203	M	86.9	Confident	82.7	Confident	80 Å²	80	71.1 Å²	71.1	39%	0.394	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-43.8	175.8	-175	179.9	71.6	0	0	111.7	F193 A199 K200 L201 W206 N207	F193-M203 HydrophobicContact CD1-CB 4.22Å; F193-M203 HydrophobicContact CD2-CB 3.75Å; F193-M203 HydrophobicContact CD2-CG 3.85Å; F193-M203 HydrophobicContact CD2-SD 4.45Å; F193-M203 HydrophobicContact CE1-CB 4.41Å; F193-M203 HydrophobicContact CE2-CB 4.01Å; F193-M203 HydrophobicContact CE2-CG 3.91Å; F193-M203 HydrophobicContact CG-CB 3.9Å; F193-M203 HydrophobicContact CZ-CB 4.35Å; A199-M203 WeakPolarHBondContact O-CB 3.27Å; A199-M203 PolarHBondContact O-N 2.87Å; K200-M203 PolarHBondContact O-N 3.15Å; L201-M203 VanDerWaalsContact C-N 3.34Å; L201-M203 PolarHBondContact O-N 3.02Å; M203-W206 PolarHBondContact O-N 3.36Å; M203-N207 WeakPolarHBondContact O-CB 3.19Å; M203-N207 VanDerWaalsContact O-CG 3.32Å; M203-N207 PolarHBondContact O-N 3.36Å; M203-N207 PolarHBondContact O-ND2 3.16Å
204	K	86.8	Confident	83.1	Confident	148 Å²	148	72 Å²	72	64%	0.643	38%	0.384	S	S	*	.	H	α-helix	trans	-61.2	-46.6	174.1	-75.5	179.9	179.3	-175.3	0	111.5	K200 L201 N207 L208	K200-K204 WeakPolarHBondContact O-CG 3.31Å; K200-K204 PolarHBondContact O-N 3.18Å; L201-K204 PolarHBondContact O-N 3.49Å; K204-N207 PolarHBondContact O-N 2.8Å; K204-L208 VanDerWaalsContact O-CB 3.31Å; K204-L208 WeakPolarHBondContact O-CB 3.38Å; K204-L208 PolarHBondContact O-N 3.24Å
205	A	90.8	Very high	83.9	Confident	21 Å²	21	71.5 Å²	71.5	17%	0.174	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-40.5	177.4	0	0	0	0	0	112.1	L201 R202 L208 L209 W280 A281	L201-A205 WeakPolarHBondContact O-CB 3.2Å; L201-A205 PolarHBondContact O-N 2.93Å; R202-A205 PolarHBondContact O-N 2.99Å; A205-L208 WeakPolarHBondContact O-CB 3.45Å; A205-L208 PolarHBondContact O-N 3.27Å; A205-L209 WeakPolarHBondContact O-CB 3.23Å; A205-L209 WeakPolarHBondContact O-CG 3.38Å; A205-L209 PolarHBondContact O-N 2.81Å; A205-W280 HydrophobicContact CB-CZ3 3.93Å; A205-A281 HydrophobicContact CB-CB 4.07Å
206	W	90.2	Very high	84.9	Confident	5 Å²	5	69 Å²	69	2%	0.019	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-49.4	175.7	-178.4	-101.9	0	0	0	111.7	E191 F193 R202 M203 L208 L209 E210 A281 A282 F288	E191-W206 PolarHBondContact OE1-NE1 3.19Å; E191-W206 VanDerWaalsContact OE1-NE1 3.14Å; F193-W206 HydrophobicContact CE1-CB 3.91Å; F193-W206 HydrophobicContact CE1-CG 4.23Å; F193-W206 HydrophobicContact CE2-CG 4.49Å; F193-W206 HydrophobicContact CZ-CB 3.54Å; F193-W206 AromaticContact CZ-CD1 3.67Å; F193-W206 HydrophobicContact CZ-CD2 4.21Å; F193-W206 AromaticContact CZ-CG 3.52Å; F193-W206 HydrophobicContact CZ-CG 3.52Å; R202-W206 WeakPolarHBondContact O-CB 3.44Å; R202-W206 PolarHBondContact O-N 2.8Å; M203-W206 PolarHBondContact O-N 3.36Å; W206-L208 PolarHBondContact O-N 3.43Å; W206-L209 PolarHBondContact O-N 2.99Å; W206-E210 HydrophobicContact CD2-CB 4.23Å; W206-E210 HydrophobicContact CH2-CG 4.3Å; W206-E210 HydrophobicContact CZ2-CB 4.34Å; W206-E210 HydrophobicContact CZ2-CG 3.87Å; W206-E210 VanDerWaalsContact O-CB 3.25Å; W206-E210 WeakPolarHBondContact O-CB 3.33Å; W206-E210 PolarHBondContact O-N 3.42Å; W206-A281 HydrophobicContact CB-CB 4.08Å; W206-A281 HydrophobicContact CE3-CB 4.05Å; W206-A282 VanDerWaalsContact CE3-CA 3.49Å; W206-A282 HydrophobicContact CE3-CB 4.16Å; W206-A282 HydrophobicContact CH2-CB 4.2Å; W206-A282 VanDerWaalsContact CZ3-CA 3.42Å; W206-A282 HydrophobicContact CZ3-CB 3.55Å; W206-F288 AromaticContact CH2-CD2 3.78Å; W206-F288 HydrophobicContact CH2-CD2 3.78Å; W206-F288 HydrophobicContact CH2-CE2 4.06Å; W206-F288 AromaticContact CZ3-CD2 3.81Å; W206-F288 HydrophobicContact CZ3-CD2 3.81Å; W206-F288 AromaticContact CZ3-CE2 3.85Å; W206-F288 HydrophobicContact CZ3-CE2 3.85Å
207	N	87	Confident	85.6	Confident	47 Å²	47	69.6 Å²	69.6	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-34.5	176.6	-72.8	-18.1	0	0	0	111.9	M203 K204 K211 S214	M203-N207 WeakPolarHBondContact O-CB 3.19Å; M203-N207 VanDerWaalsContact O-CG 3.32Å; M203-N207 PolarHBondContact O-N 3.36Å; M203-N207 PolarHBondContact O-ND2 3.16Å; K204-N207 PolarHBondContact O-N 2.8Å; N207-K211 CarbonylContact O-C 3.59Å; N207-K211 WeakPolarHBondContact O-CB 3.38Å; N207-K211 PolarHBondContact O-N 3.32Å; N207-S214 WeakPolarHBondContact O-CB 3.48Å; N207-S214 PolarHBondContact O-OG 2.87Å
208	L	90.6	Very high	86.2	Confident	56 Å²	56	60.9 Å²	60.9	29%	0.293	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-39.7	177.1	-173.6	69.5	0	0	0	112.8	K204 A205 W206 A217 A218 I221	K204-L208 VanDerWaalsContact O-CB 3.31Å; K204-L208 WeakPolarHBondContact O-CB 3.38Å; K204-L208 PolarHBondContact O-N 3.24Å; A205-L208 WeakPolarHBondContact O-CB 3.45Å; A205-L208 PolarHBondContact O-N 3.27Å; W206-L208 PolarHBondContact O-N 3.43Å; L208-A217 HydrophobicContact CD1-CB 3.77Å; L208-A218 HydrophobicContact CD1-CB 4.07Å; L208-A218 WeakPolarHBondContact O-CB 3.33Å; L208-I221 HydrophobicContact CD1-CD1 3.79Å; L208-I221 HydrophobicContact CD2-CD1 3.7Å; L208-I221 HydrophobicContact CG-CD1 3.58Å
209	L	90.5	Very high	86.7	Confident	24 Å²	24	63.7 Å²	63.7	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-95.8	-28.6	-172.3	-66	172.1	0	0	0	114.9	A205 W206 I221 A277 R278	A205-L209 WeakPolarHBondContact O-CB 3.23Å; A205-L209 WeakPolarHBondContact O-CG 3.38Å; A205-L209 PolarHBondContact O-N 2.81Å; W206-L209 PolarHBondContact O-N 2.99Å; L209-I221 HydrophobicContact CD2-CG2 4.25Å; L209-A277 HydrophobicContact CD1-CB 3.58Å; L209-R278 HydrophobicContact CB-CG 3.84Å; L209-R278 HydrophobicContact CD1-CG 4.18Å; L209-R278 PolarHBondContact O-NE 3.25Å; L209-R278 VanDerWaalsContact O-NE 3.11Å; L209-R278 PolarHBondContact O-NH2 3.25Å; L209-R278 VanDerWaalsContact O-NH2 3.12Å
210	E	85.8	Confident	87.2	Confident	36 Å²	36	67.2 Å²	67.2	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-102.3	-36.4	-175.8	-165.3	69.5	-173.1	0	0	112.1	W206 P212 R278 R344	W206-E210 HydrophobicContact CD2-CB 4.23Å; W206-E210 HydrophobicContact CH2-CG 4.3Å; W206-E210 HydrophobicContact CZ2-CB 4.34Å; W206-E210 HydrophobicContact CZ2-CG 3.87Å; W206-E210 VanDerWaalsContact O-CB 3.25Å; W206-E210 WeakPolarHBondContact O-CB 3.33Å; W206-E210 PolarHBondContact O-N 3.42Å; E210-P212 WeakPolarHBondContact O-CD 3.48Å; E210-R278 WeakPolarHBondContact OE2-CD 3.01Å; E210-R278 IonicContact OE2-NE 2.78Å; E210-R344 IonicContact OE1-NH1 2.81Å; E210-R344 PolarHBondContact OE1-NH1 3.31Å; E210-R344 IonicContact OE2-CZ 3.32Å; E210-R344 IonicContact OE2-NH1 3.52Å; E210-R344 PolarHBondContact OE2-NH1 2.91Å
211	K	81.4	Confident	87.7	Confident	56 Å²	56	62.4 Å²	62.4	24%	0.243	32%	0.324	C	S	.	.			trans	-107.7	89.5	-175.5	-61.6	-170.7	-175.5	-169.4	0	110.9	E187 E191 N207 Q213 S214	E187-K211 IonicContact OE1-NZ 2.86Å; E187-K211 PolarHBondContact OE1-NZ 3.06Å; E191-K211 VanDerWaalsContact CD-NZ 3.25Å; E191-K211 WeakPolarHBondContact OE1-CE 3.39Å; E191-K211 IonicContact OE1-NZ 3.41Å; E191-K211 PolarHBondContact OE1-NZ 3.37Å; E191-K211 IonicContact OE2-NZ 3.75Å; E191-K211 PolarHBondContact OE2-NZ 3.45Å; N207-K211 CarbonylContact O-C 3.59Å; N207-K211 WeakPolarHBondContact O-CB 3.38Å; N207-K211 PolarHBondContact O-N 3.32Å; K211-Q213 PolarHBondContact O-N 3.25Å; K211-S214 VanDerWaalsContact O-CB 3.26Å; K211-S214 WeakPolarHBondContact O-CB 3.19Å; K211-S214 PolarHBondContact O-N 3.12Å; K211-S214 PolarHBondContact O-OG 3.11Å
212	P	82.5	Confident	87.9	Confident	55 Å²	55	59.3 Å²	59.3	36%	0.357	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.8	-176.8	25.6	-35.5	0	0	0	113.9	E210 R219 A222	E210-P212 WeakPolarHBondContact O-CD 3.48Å; P212-R219 PolarHBondContact O-N 3.08Å; P212-A222 HydrophobicContact CB-CB 3.85Å
213	Q	75.5	Confident	88	Confident	94 Å²	94	63.5 Å²	63.5	44%	0.439	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.9	177.9	-58.2	-175.8	12.1	0	0	113.5	K211 S215 K463	K211-Q213 PolarHBondContact O-N 3.25Å; Q213-S215 PolarHBondContact O-N 3.42Å; Q213-K463 VanDerWaalsContact CD-CE 3.41Å
214	S	80.9	Confident	88.4	Confident	46 Å²	46	62.6 Å²	62.6	32%	0.322	33%	0.326	S	S	.	.	S	Bend	trans	-66.4	-36.8	-175.8	66.9	0	0	0	0	112.9	N207 K211 A218	N207-S214 WeakPolarHBondContact O-CB 3.48Å; N207-S214 PolarHBondContact O-OG 2.87Å; K211-S214 VanDerWaalsContact O-CB 3.26Å; K211-S214 WeakPolarHBondContact O-CB 3.19Å; K211-S214 PolarHBondContact O-N 3.12Å; K211-S214 PolarHBondContact O-OG 3.11Å; S214-A218 WeakPolarHBondContact OG-CB 3.25Å
215	S	87	Confident	88.7	Confident	44 Å²	44	55.5 Å²	55.5	31%	0.308	30%	0.296	S	S	.	.			trans	-156.4	162.3	-176.7	63.8	0	0	0	0	111.5	Q213 A217 A218 R219	Q213-S215 PolarHBondContact O-N 3.42Å; S215-A217 PolarHBondContact O-N 3.06Å; S215-A218 WeakPolarHBondContact O-CB 3.39Å; S215-A218 PolarHBondContact O-N 3.47Å; S215-A218 WeakPolarHBondContact OG-CB 3.28Å; S215-A218 PolarHBondContact OG-N 3.48Å; S215-R219 PolarHBondContact O-N 3.03Å; S215-R219 VanDerWaalsContact O-N 3.13Å
216	N	88	Confident	88.8	Confident	121 Å²	121	57.1 Å²	57.1	65%	0.647	30%	0.3	S	S	*	.	H	α-helix	trans	-59.9	-38.3	172.6	-68.3	-21.4	0	0	0	111.3	A218 R219 V220	N216-A218 PolarHBondContact O-N 3.31Å; N216-R219 WeakPolarHBondContact O-CB 3.39Å; N216-R219 PolarHBondContact O-N 3.42Å; N216-V220 WeakPolarHBondContact O-CG2 3.35Å; N216-V220 PolarHBondContact O-N 3.48Å
217	A	92.1	Very high	89	Confident	55 Å²	55	59.1 Å²	59.1	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-42	175.4	0	0	0	0	0	112.2	L208 S215 R219 V220 I221	L208-A217 HydrophobicContact CD1-CB 3.77Å; S215-A217 PolarHBondContact O-N 3.06Å; A217-R219 VanDerWaalsContact C-N 3.3Å; A217-R219 PolarHBondContact O-N 3.05Å; A217-V220 PolarHBondContact O-N 3.31Å; A217-I221 WeakPolarHBondContact O-CG1 3.39Å; A217-I221 PolarHBondContact O-N 3.25Å
218	A	91	Very high	89.5	Confident	1 Å²	1	59 Å²	59	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-39.9	175.8	0	0	0	0	0	111.7	L208 S214 S215 N216 I221 A222	L208-A218 HydrophobicContact CD1-CB 4.07Å; L208-A218 WeakPolarHBondContact O-CB 3.33Å; S214-A218 WeakPolarHBondContact OG-CB 3.25Å; S215-A218 WeakPolarHBondContact O-CB 3.39Å; S215-A218 PolarHBondContact O-N 3.47Å; S215-A218 WeakPolarHBondContact OG-CB 3.28Å; S215-A218 PolarHBondContact OG-N 3.48Å; N216-A218 PolarHBondContact O-N 3.31Å; A218-I221 PolarHBondContact O-N 3.22Å; A218-A222 WeakPolarHBondContact O-CB 3.35Å; A218-A222 PolarHBondContact O-N 3.24Å
219	R	90.3	Very high	89.7	Confident	151 Å²	151	56.4 Å²	56.4	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-64.5	-40.8	176.4	-163.6	-177.3	-64.1	156.4	1.3	112.1	P212 S215 N216 A217 A222 F223	P212-R219 PolarHBondContact O-N 3.08Å; S215-R219 PolarHBondContact O-N 3.03Å; S215-R219 VanDerWaalsContact O-N 3.13Å; N216-R219 WeakPolarHBondContact O-CB 3.39Å; N216-R219 PolarHBondContact O-N 3.42Å; A217-R219 VanDerWaalsContact C-N 3.3Å; A217-R219 PolarHBondContact O-N 3.05Å; R219-A222 PolarHBondContact O-N 2.82Å; R219-F223 PolarHBondContact O-N 2.92Å
220	V	93.6	Very high	89.9	Confident	85 Å²	85	58.6 Å²	58.6	52%	0.515	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-46.2	175.5	173.2	0	0	0	0	110.9	N216 A217 A222 F223 I224	N216-V220 WeakPolarHBondContact O-CG2 3.35Å; N216-V220 PolarHBondContact O-N 3.48Å; A217-V220 PolarHBondContact O-N 3.31Å; V220-A222 VanDerWaalsContact C-N 3.31Å; V220-A222 PolarHBondContact O-N 3.42Å; V220-F223 WeakPolarHBondContact O-CB 3.28Å; V220-F223 PolarHBondContact O-N 2.84Å; V220-F223 VanDerWaalsContact O-N 3.14Å; V220-I224 HydrophobicContact CG1-CD1 3.87Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 3.46Å
221	I	93.1	Very high	90.3	Very high	39 Å²	39	60.3 Å²	60.3	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-40.4	177.2	-70.3	166.9	0	0	0	111.4	L208 L209 A217 A218 F223 I224 S225	L208-I221 HydrophobicContact CD1-CD1 3.79Å; L208-I221 HydrophobicContact CD2-CD1 3.7Å; L208-I221 HydrophobicContact CG-CD1 3.58Å; L209-I221 HydrophobicContact CD2-CG2 4.25Å; A217-I221 WeakPolarHBondContact O-CG1 3.39Å; A217-I221 PolarHBondContact O-N 3.25Å; A218-I221 PolarHBondContact O-N 3.22Å; I221-F223 VanDerWaalsContact C-N 3.35Å; I221-I224 PolarHBondContact O-N 3.44Å; I221-S225 WeakPolarHBondContact O-CB 3.41Å; I221-S225 PolarHBondContact O-N 2.75Å; I221-S225 PolarHBondContact O-OG 2.84Å
222	A	91.9	Very high	90.9	Very high	16 Å²	16	57.7 Å²	57.7	13%	0.132	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-40.3	175.2	0	0	0	0	0	112.1	P212 A218 R219 V220 S225 M226	P212-A222 HydrophobicContact CB-CB 3.85Å; A218-A222 WeakPolarHBondContact O-CB 3.35Å; A218-A222 PolarHBondContact O-N 3.24Å; R219-A222 PolarHBondContact O-N 2.82Å; V220-A222 VanDerWaalsContact C-N 3.31Å; V220-A222 PolarHBondContact O-N 3.42Å; A222-S225 PolarHBondContact O-N 3.47Å; A222-M226 WeakPolarHBondContact O-CB 3.28Å; A222-M226 PolarHBondContact O-N 3.1Å
223	F	92.6	Very high	91.4	Very high	154 Å²	154	56.2 Å²	56.2	68%	0.675	31%	0.309	S	S	*	.	H	α-helix	trans	-65.4	-42.3	174.6	-178.4	-95.5	0	0	0	112.4	R219 V220 I221 S225 M226 A227	R219-F223 PolarHBondContact O-N 2.92Å; V220-F223 WeakPolarHBondContact O-CB 3.28Å; V220-F223 PolarHBondContact O-N 2.84Å; V220-F223 VanDerWaalsContact O-N 3.14Å; I221-F223 VanDerWaalsContact C-N 3.35Å; F223-S225 VanDerWaalsContact C-N 3.34Å; F223-S225 PolarHBondContact O-N 3.26Å; F223-M226 WeakPolarHBondContact O-CB 3.43Å; F223-M226 PolarHBondContact O-N 2.7Å; F223-A227 PolarHBondContact O-N 2.98Å
224	I	94.5	Very high	92.2	Very high	60 Å²	60	56.1 Å²	56.1	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-45.7	174.5	-68.6	168.3	0	0	0	110.2	V220 I221 M226 A227 F228 W270	V220-I224 HydrophobicContact CG1-CD1 3.87Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 3.46Å; I221-I224 PolarHBondContact O-N 3.44Å; I224-M226 VanDerWaalsContact C-N 3.33Å; I224-M226 PolarHBondContact O-N 3.42Å; I224-A227 WeakPolarHBondContact O-CB 3.46Å; I224-A227 PolarHBondContact O-N 3.43Å; I224-A227 VanDerWaalsContact O-N 3.1Å; I224-F228 HydrophobicContact CG2-CD2 3.7Å; I224-F228 HydrophobicContact CG2-CE2 3.59Å; I224-F228 VanDerWaalsContact O-CD2 3.31Å; I224-F228 WeakPolarHBondContact O-CD2 3.27Å; I224-F228 PolarHBondContact O-N 3.24Å; I224-W270 HydrophobicContact CB-CZ2 4.4Å; I224-W270 HydrophobicContact CG2-CH2 3.95Å; I224-W270 HydrophobicContact CG2-CZ2 3.58Å
225	S	93.5	Very high	92.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-42.4	178.6	-54.3	0	0	0	0	111.6	I221 A222 F223 A227 F228 I229	I221-S225 WeakPolarHBondContact O-CB 3.41Å; I221-S225 PolarHBondContact O-N 2.75Å; I221-S225 PolarHBondContact O-OG 2.84Å; A222-S225 PolarHBondContact O-N 3.47Å; F223-S225 VanDerWaalsContact C-N 3.34Å; F223-S225 PolarHBondContact O-N 3.26Å; S225-A227 PolarHBondContact O-N 3.42Å; S225-F228 PolarHBondContact O-N 2.87Å; S225-I229 VanDerWaalsContact O-CG1 3.31Å; S225-I229 WeakPolarHBondContact O-CG1 3.2Å; S225-I229 PolarHBondContact O-N 3.33Å; S225-I229 VanDerWaalsContact O-N 3.12Å
226	M	93.2	Very high	92.8	Very high	54 Å²	54	53.5 Å²	53.5	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-57.7	-45.6	171.6	178.5	64.6	62.6	0	0	112.2	A222 F223 I224 F228 I229 C230 L342 H345	A222-M226 WeakPolarHBondContact O-CB 3.28Å; A222-M226 PolarHBondContact O-N 3.1Å; F223-M226 WeakPolarHBondContact O-CB 3.43Å; F223-M226 PolarHBondContact O-N 2.7Å; I224-M226 VanDerWaalsContact C-N 3.33Å; I224-M226 PolarHBondContact O-N 3.42Å; M226-F228 PolarHBondContact O-N 3.5Å; M226-I229 PolarHBondContact O-N 3.25Å; M226-C230 PolarHBondContact O-N 3.37Å; M226-C230 PolarHBondContact O-SG 3.29Å; M226-L342 HydrophobicContact CE-CD2 3.67Å; M226-L342 HydrophobicContact SD-CD2 3.1Å; M226-L342 WeakPolarHBondContact SD-CD2 3.16Å; M226-H345 HydrophobicContact CE-CB 3.19Å
227	A	95	Very high	92.9	Very high	48 Å²	48	51.4 Å²	51.4	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-41.8	178.8	0	0	0	0	0	112.4	F223 I224 S225 I229 C230 L231	F223-A227 PolarHBondContact O-N 2.98Å; I224-A227 WeakPolarHBondContact O-CB 3.46Å; I224-A227 PolarHBondContact O-N 3.43Å; I224-A227 VanDerWaalsContact O-N 3.1Å; S225-A227 PolarHBondContact O-N 3.42Å; A227-I229 VanDerWaalsContact C-N 3.32Å; A227-I229 PolarHBondContact O-N 2.88Å; A227-C230 PolarHBondContact O-N 3.47Å; A227-L231 WeakPolarHBondContact O-CB 3.16Å; A227-L231 PolarHBondContact O-N 3.45Å
228	F	95.8	Very high	92.8	Very high	43 Å²	43	51.6 Å²	51.6	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-35.7	174.4	-85.4	-76.5	0	0	0	112.8	I224 S225 M226 L231 A232 V266 C267 W270 F271	I224-F228 HydrophobicContact CG2-CD2 3.7Å; I224-F228 HydrophobicContact CG2-CE2 3.59Å; I224-F228 VanDerWaalsContact O-CD2 3.31Å; I224-F228 WeakPolarHBondContact O-CD2 3.27Å; I224-F228 PolarHBondContact O-N 3.24Å; S225-F228 PolarHBondContact O-N 2.87Å; M226-F228 PolarHBondContact O-N 3.5Å; F228-L231 PolarHBondContact O-N 3.43Å; F228-A232 VanDerWaalsContact O-CB 3.3Å; F228-A232 WeakPolarHBondContact O-CB 3.42Å; F228-A232 PolarHBondContact O-N 3.46Å; F228-V266 HydrophobicContact CE1-CG1 4.11Å; F228-C267 HydrophobicContact CD1-CB 4.38Å; F228-W270 HydrophobicContact CB-CG 4.49Å; F228-W270 HydrophobicContact CD1-CB 4.12Å; F228-W270 HydrophobicContact CD1-CG 4.25Å; F228-W270 HydrophobicContact CD2-CB 4.36Å; F228-W270 AromaticContact CD2-CD1 3.54Å; F228-W270 AromaticContact CD2-CD2 3.87Å; F228-W270 HydrophobicContact CD2-CD2 3.87Å; F228-W270 AromaticContact CD2-CE2 3.91Å; F228-W270 AromaticContact CD2-CG 3.66Å; F228-W270 HydrophobicContact CD2-CG 3.66Å; F228-W270 AromaticContact CD2-NE1 3.71Å; F228-W270 HydrophobicContact CE1-CB 4.16Å; F228-W270 HydrophobicContact CE1-CG 4.42Å; F228-W270 HydrophobicContact CE2-CB 4.41Å; F228-W270 AromaticContact CE2-CD2 3.74Å; F228-W270 HydrophobicContact CE2-CD2 3.74Å; F228-W270 HydrophobicContact CE2-CE3 4.11Å; F228-W270 AromaticContact CE2-CG 3.85Å; F228-W270 HydrophobicContact CE2-CG 3.85Å; F228-W270 HydrophobicContact CG-CB 4.23Å; F228-W270 AromaticContact CG-CD1 3.68Å; F228-W270 AromaticContact CG-CG 3.88Å; F228-W270 HydrophobicContact CG-CG 3.88Å; F228-W270 HydrophobicContact CZ-CB 4.31Å; F228-W270 HydrophobicContact CZ-CD2 4.32Å; F228-W270 HydrophobicContact CZ-CE3 4.49Å; F228-W270 HydrophobicContact CZ-CG 4.23Å; F228-F271 HydrophobicContact CB-CE1 3.81Å; F228-F271 HydrophobicContact CB-CZ 4.27Å
229	I	95	Very high	92.5	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-46.7	174.3	-62.8	160.8	0	0	0	110.8	S225 M226 A227 L231 A232 A233 F271 K341 L342	S225-I229 VanDerWaalsContact O-CG1 3.31Å; S225-I229 WeakPolarHBondContact O-CG1 3.2Å; S225-I229 PolarHBondContact O-N 3.33Å; S225-I229 VanDerWaalsContact O-N 3.12Å; M226-I229 PolarHBondContact O-N 3.25Å; A227-I229 VanDerWaalsContact C-N 3.32Å; A227-I229 PolarHBondContact O-N 2.88Å; I229-L231 PolarHBondContact O-N 3.49Å; I229-A232 PolarHBondContact O-N 3.26Å; I229-A233 WeakPolarHBondContact O-CB 3.41Å; I229-A233 PolarHBondContact O-N 2.9Å; I229-F271 HydrophobicContact CB-CZ 4.42Å; I229-F271 HydrophobicContact CG1-CE1 3.82Å; I229-F271 HydrophobicContact CG1-CZ 3.8Å; I229-K341 HydrophobicContact CD1-CB 3.83Å; I229-K341 HydrophobicContact CD1-CD 4.13Å; I229-K341 HydrophobicContact CD1-CG 3.77Å; I229-K341 HydrophobicContact CG1-CB 4.22Å; I229-K341 HydrophobicContact CG1-CD 4.25Å; I229-K341 HydrophobicContact CG1-CG 4.33Å; I229-L342 HydrophobicContact CB-CD2 4.24Å; I229-L342 HydrophobicContact CD1-CD2 4.23Å; I229-L342 HydrophobicContact CG2-CD2 3.76Å; I229-L342 HydrophobicContact CG2-CG 3.81Å
230	C	94.2	Very high	92.3	Very high	70 Å²	70	49.4 Å²	49.4	47%	0.473	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-43	175.8	-66.6	0	0	0	0	112	M226 A227 A233 L234	M226-C230 PolarHBondContact O-N 3.37Å; M226-C230 PolarHBondContact O-SG 3.29Å; A227-C230 PolarHBondContact O-N 3.47Å; C230-A233 PolarHBondContact O-N 2.72Å; C230-L234 WeakPolarHBondContact O-CB 3.22Å; C230-L234 PolarHBondContact O-N 3.12Å
231	L	94.9	Very high	91.9	Very high	73 Å²	73	49 Å²	49	38%	0.382	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-43.7	177.4	-178.9	61	0	0	0	111.6	A227 F228 I229 L234 A235 V263	A227-L231 WeakPolarHBondContact O-CB 3.16Å; A227-L231 PolarHBondContact O-N 3.45Å; F228-L231 PolarHBondContact O-N 3.43Å; I229-L231 PolarHBondContact O-N 3.49Å; L231-L234 PolarHBondContact O-N 2.96Å; L231-A235 WeakPolarHBondContact O-CB 3.29Å; L231-A235 PolarHBondContact O-N 3.4Å; L231-V263 HydrophobicContact CD1-CG1 4.03Å; L231-V263 HydrophobicContact CD2-CG1 4.03Å; L231-V263 HydrophobicContact CG-CG1 3.84Å
232	A	93.9	Very high	91.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-34.4	178.3	0	0	0	0	0	112.6	F228 I229 L236 C267 F271	F228-A232 VanDerWaalsContact O-CB 3.3Å; F228-A232 WeakPolarHBondContact O-CB 3.42Å; F228-A232 PolarHBondContact O-N 3.46Å; I229-A232 PolarHBondContact O-N 3.26Å; A232-L236 WeakPolarHBondContact O-CB 3.49Å; A232-L236 PolarHBondContact O-N 3.36Å; A232-C267 HydrophobicContact CB-CB 3.99Å; A232-F271 HydrophobicContact CB-CE2 4.16Å; A232-F271 HydrophobicContact CB-CZ 4.27Å
233	A	92.9	Very high	90.7	Very high	24 Å²	24	54.4 Å²	54.4	20%	0.198	32%	0.323	C	S	.	.	H	α-helix	trans	-67.7	-42.4	172.1	0	0	0	0	0	111.6	I229 C230 L236 T237 I339	I229-A233 WeakPolarHBondContact O-CB 3.41Å; I229-A233 PolarHBondContact O-N 2.9Å; C230-A233 PolarHBondContact O-N 2.72Å; A233-L236 WeakPolarHBondContact O-CB 3.48Å; A233-L236 PolarHBondContact O-N 3.07Å; A233-T237 WeakPolarHBondContact O-CG2 3.38Å; A233-T237 PolarHBondContact O-N 3.5Å; A233-T237 PolarHBondContact O-OG1 2.86Å; A233-I339 HydrophobicContact CB-CG1 4.2Å
234	L	93	Very high	90	Very high	93 Å²	93	49.3 Å²	49.3	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-47.9	175.4	-179.1	62.6	0	0	0	111.2	C230 L231 L236 T237 L238	C230-L234 WeakPolarHBondContact O-CB 3.22Å; C230-L234 PolarHBondContact O-N 3.12Å; L231-L234 PolarHBondContact O-N 2.96Å; L234-L236 VanDerWaalsContact C-N 3.26Å; L234-L236 PolarHBondContact O-N 3.33Å; L234-T237 WeakPolarHBondContact CA-OG1 3.2Å; L234-T237 PolarHBondContact O-N 2.94Å; L234-T237 PolarHBondContact O-OG1 2.93Å; L234-L238 HydrophobicContact CD1-CD1 4.36Å; L234-L238 HydrophobicContact CD1-CG 4.25Å; L234-L238 HydrophobicContact CG-CD1 4.01Å; L234-L238 HydrophobicContact CG-CG 4.33Å; L234-L238 WeakPolarHBondContact O-CG 3.42Å; L234-L238 PolarHBondContact O-N 3.28Å
235	A	91.2	Very high	89	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-41.7	175.2	0	0	0	0	0	111.9	L231 T237 L238 N239 I260 V263	L231-A235 WeakPolarHBondContact O-CB 3.29Å; L231-A235 PolarHBondContact O-N 3.4Å; A235-T237 PolarHBondContact O-N 2.81Å; A235-L238 PolarHBondContact O-N 3.17Å; A235-N239 PolarHBondContact O-N 3.01Å; A235-I260 HydrophobicContact CB-CG2 3.85Å; A235-V263 HydrophobicContact CB-CG1 4.2Å
236	L	89.1	Confident	87.9	Confident	31 Å²	31	54.9 Å²	54.9	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-47.4	174.4	-173.7	55.2	0	0	0	112	A232 A233 L234 N239 R335 V336	A232-L236 WeakPolarHBondContact O-CB 3.49Å; A232-L236 PolarHBondContact O-N 3.36Å; A233-L236 WeakPolarHBondContact O-CB 3.48Å; A233-L236 PolarHBondContact O-N 3.07Å; L234-L236 VanDerWaalsContact C-N 3.26Å; L234-L236 PolarHBondContact O-N 3.33Å; L236-N239 PolarHBondContact O-N 3.43Å; L236-R335 HydrophobicContact CD1-CB 4.36Å; L236-V336 HydrophobicContact CD2-CB 4.36Å; L236-V336 HydrophobicContact CD2-CG2 3.68Å
237	T	90.1	Very high	86.7	Confident	76 Å²	76	58.5 Å²	58.5	47%	0.466	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-39.5	-180	57.2	0	0	0	0	112	A233 L234 A235 N239 T240	A233-T237 WeakPolarHBondContact O-CG2 3.38Å; A233-T237 PolarHBondContact O-N 3.5Å; A233-T237 PolarHBondContact O-OG1 2.86Å; L234-T237 WeakPolarHBondContact CA-OG1 3.2Å; L234-T237 PolarHBondContact O-N 2.94Å; L234-T237 PolarHBondContact O-OG1 2.93Å; A235-T237 PolarHBondContact O-N 2.81Å; T237-N239 VanDerWaalsContact C-N 3.31Å; T237-N239 PolarHBondContact O-N 2.9Å; T237-T240 PolarHBondContact O-N 3.4Å; T237-T240 PolarHBondContact O-OG1 3.19Å
238	L	90	Very high	85.3	Confident	59 Å²	59	57.8 Å²	57.8	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-37.3	178	-68.6	174.9	0	0	0	111.7	L234 A235 T240 I241 I244 I260	L234-L238 HydrophobicContact CD1-CD1 4.36Å; L234-L238 HydrophobicContact CD1-CG 4.25Å; L234-L238 HydrophobicContact CG-CD1 4.01Å; L234-L238 HydrophobicContact CG-CG 4.33Å; L234-L238 WeakPolarHBondContact O-CG 3.42Å; L234-L238 PolarHBondContact O-N 3.28Å; A235-L238 PolarHBondContact O-N 3.17Å; L238-T240 PolarHBondContact O-N 3.13Å; L238-T240 VanDerWaalsContact O-N 3.09Å; L238-I241 HydrophobicContact CD2-CD1 4.07Å; L238-I241 PolarHBondContact O-N 3.05Å; L238-I241 VanDerWaalsContact O-N 3.11Å; L238-I244 HydrophobicContact CB-CD1 4.19Å; L238-I244 HydrophobicContact CD2-CD1 3.96Å; L238-I260 HydrophobicContact CB-CD1 3.85Å
239	N	84.5	Confident	83.9	Confident	14 Å²	14	61.8 Å²	61.8	8%	0.075	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-4	173.7	-85.8	-20.4	0	0	0	114.5	A235 L236 T237 Y245 I260	A235-N239 PolarHBondContact O-N 3.01Å; L236-N239 PolarHBondContact O-N 3.43Å; T237-N239 VanDerWaalsContact C-N 3.31Å; T237-N239 PolarHBondContact O-N 2.9Å; N239-Y245 WeakPolarHBondContact O-CE1 3.46Å; N239-Y245 VanDerWaalsContact O-CZ 3.25Å; N239-Y245 PolarHBondContact O-OH 3.24Å; N239-I260 VanDerWaalsContact ND2-CG2 3.26Å; N239-I260 WeakPolarHBondContact ND2-CG2 3.42Å; N239-I260 WeakPolarHBondContact OD1-CB 3.34Å; N239-I260 WeakPolarHBondContact OD1-CD1 3.41Å; N239-I260 WeakPolarHBondContact OD1-CG2 3.24Å
240	T	85.5	Confident	82.7	Confident	93 Å²	93	68.9 Å²	68.9	57%	0.571	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.3	172.9	64.8	0	0	0	0	113.5	T237 L238 Y245	T237-T240 PolarHBondContact O-N 3.4Å; T237-T240 PolarHBondContact O-OG1 3.19Å; L238-T240 PolarHBondContact O-N 3.13Å; L238-T240 VanDerWaalsContact O-N 3.09Å; T240-Y245 WeakPolarHBondContact CA-OH 3.34Å
241	I	86.7	Confident	81.6	Confident	75 Å²	75	69.1 Å²	69.1	39%	0.385	39%	0.391	S	S	.	.			trans	-86.7	121.7	-175.6	-60.6	176.4	0	0	0	109.6	L238 G243 I244	L238-I241 HydrophobicContact CD2-CD1 4.07Å; L238-I241 PolarHBondContact O-N 3.05Å; L238-I241 VanDerWaalsContact O-N 3.11Å; I241-G243 PolarHBondContact O-N 3.43Å; I241-G243 VanDerWaalsContact O-N 3.14Å; I241-I244 HydrophobicContact CB-CB 4.47Å; I241-I244 HydrophobicContact CB-CD1 3.92Å; I241-I244 HydrophobicContact CB-CG1 4.05Å; I241-I244 HydrophobicContact CD1-CD1 3.96Å; I241-I244 HydrophobicContact CG1-CD1 4.43Å; I241-I244 HydrophobicContact CG2-CD1 4.22Å; I241-I244 HydrophobicContact CG2-CG1 4.06Å; I241-I244 PolarHBondContact O-N 3.38Å
242	P	78.9	Confident	80.2	Confident	93 Å²	93	71.9 Å²	71.9	60%	0.604	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-60.8	-28.4	-176	21.7	-32.1	0	0	0	114.4	I244 Y245	P242-I244 PolarHBondContact O-N 3.07Å; P242-Y245 VanDerWaalsContact CA-CD2 3.45Å; P242-Y245 HydrophobicContact CB-CD2 4.36Å; P242-Y245 HydrophobicContact CB-CE2 4.33Å
243	G	79.4	Confident	78.9	Confident	76 Å²	76	77 Å²	77	78%	0.784	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-74.5	-7.3	177.2	0	0	0	0	0	115.3	I241	I241-G243 PolarHBondContact O-N 3.43Å; I241-G243 VanDerWaalsContact O-N 3.14Å
244	I	79.7	Confident	77.6	Confident	47 Å²	47	79.1 Å²	79.1	24%	0.241	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-102.5	-15.4	-177.8	-62.2	-176.6	0	0	0	111.8	L238 I241 P242 N257 I260	L238-I244 HydrophobicContact CB-CD1 4.19Å; L238-I244 HydrophobicContact CD2-CD1 3.96Å; I241-I244 HydrophobicContact CB-CB 4.47Å; I241-I244 HydrophobicContact CB-CD1 3.92Å; I241-I244 HydrophobicContact CB-CG1 4.05Å; I241-I244 HydrophobicContact CD1-CD1 3.96Å; I241-I244 HydrophobicContact CG1-CD1 4.43Å; I241-I244 HydrophobicContact CG2-CD1 4.22Å; I241-I244 HydrophobicContact CG2-CG1 4.06Å; I241-I244 PolarHBondContact O-N 3.38Å; P242-I244 PolarHBondContact O-N 3.07Å; I244-N257 HydrophobicContact CG2-CB 4.07Å; I244-N257 PolarHBondContact O-ND2 2.8Å; I244-I260 HydrophobicContact CG2-CD1 3.48Å; I244-I260 VanDerWaalsContact CG2-CD1 3.48Å
245	Y	71.6	Confident	76.5	Confident	66 Å²	66	78.4 Å²	78.4	26%	0.259	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62	138.5	178.2	-65.3	-52.8	0	0	0	111.6	N239 T240 P242	N239-Y245 WeakPolarHBondContact O-CE1 3.46Å; N239-Y245 VanDerWaalsContact O-CZ 3.25Å; N239-Y245 PolarHBondContact O-OH 3.24Å; T240-Y245 WeakPolarHBondContact CA-OH 3.34Å; P242-Y245 VanDerWaalsContact CA-CD2 3.45Å; P242-Y245 HydrophobicContact CB-CD2 4.36Å; P242-Y245 HydrophobicContact CB-CE2 4.33Å
246	H	70.3	Confident	75.6	Confident	111 Å²	111	79.8 Å²	79.8	51%	0.514	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131	165.3	-155.7	64.4	0	0	0	107.5	I255	H246-I255 PolarHBondContact N-O 3.44Å; H246-I255 PolarHBondContact O-N 2.88Å
247	Y	68.8	Low	75.2	Confident	130 Å²	130	79.9 Å²	79.9	51%	0.51	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.8	174.6	-67.7	-87.1	0	0	0	108.4	P249	Y247-P249 WeakPolarHBondContact O-CD 3.46Å
248	D	66	Low	74.9	Confident	34 Å²	34	78.9 Å²	78.9	18%	0.182	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-63.3	120.6	167.4	-168.1	-25.8	0	0	0	108.9	I250 T251 N252 E253 I255	D248-I250 PolarHBondContact O-N 3.3Å; D248-I250 VanDerWaalsContact O-N 3.14Å; D248-I250 PolarHBondContact OD1-N 2.88Å; D248-T251 WeakPolarHBondContact CB-OG1 3.49Å; D248-T251 PolarHBondContact OD2-OG1 2.83Å; D248-N252 VanDerWaalsContact O-CA 3.27Å; D248-N252 WeakPolarHBondContact O-CA 3.3Å; D248-N252 PolarHBondContact O-N 3.44Å; D248-E253 PolarHBondContact N-O 3.44Å; D248-I255 HydrophobicContact CB-CD1 3.45Å; D248-I255 VanDerWaalsContact CB-CD1 3.45Å; D248-I255 HydrophobicContact CB-CG1 3.92Å
249	P	65.9	Low	74.8	Confident	126 Å²	126	84.8 Å²	84.8	82%	0.818	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.5	178	24.7	-32.7	0	0	0	113.5	Y247	Y247-P249 WeakPolarHBondContact O-CD 3.46Å
250	I	70.4	Confident	75	Confident	152 Å²	152	85 Å²	85	78%	0.779	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-49.8	-175.9	-56.8	174.9	0	0	0	111.2	D248	D248-I250 PolarHBondContact O-N 3.3Å; D248-I250 VanDerWaalsContact O-N 3.14Å; D248-I250 PolarHBondContact OD1-N 2.88Å
251	T	70.1	Confident	75.1	Confident	74 Å²	74	85.2 Å²	85.2	45%	0.454	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.4	-174.6	61.4	0	0	0	0	113	D248 E253	D248-T251 WeakPolarHBondContact CB-OG1 3.49Å; D248-T251 PolarHBondContact OD2-OG1 2.83Å; T251-E253 PolarHBondContact O-N 3.3Å; T251-E253 PolarHBondContact OG1-N 3.46Å
252	N	66.8	Low	75.3	Confident	131 Å²	131	89 Å²	89	70%	0.701	46%	0.464	S	S	*	.			trans	53.5	19.3	-170.8	-155.5	45.2	0	0	0	113.1	D248	D248-N252 VanDerWaalsContact O-CA 3.27Å; D248-N252 WeakPolarHBondContact O-CA 3.3Å; D248-N252 PolarHBondContact O-N 3.44Å
253	E	66.1	Low	76	Confident	109 Å²	109	87 Å²	87	51%	0.509	45%	0.45	S	S	.	.			trans	-85.6	146	174.2	-65.6	-162	143.2	0	0	110	D248 T251 I255 R325	D248-E253 PolarHBondContact N-O 3.44Å; T251-E253 PolarHBondContact O-N 3.3Å; T251-E253 PolarHBondContact OG1-N 3.46Å; E253-I255 PolarHBondContact O-N 2.75Å; E253-R325 IonicContact OE1-NH2 3.7Å
254	S	66.3	Low	76.5	Confident	68 Å²	68	83.5 Å²	83.5	48%	0.476	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	111.3	173.6	58.5	0	0	0	0	109.5
255	I	69.8	Low	77.1	Confident	78 Å²	78	83.5 Å²	83.5	40%	0.4	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.2	171.4	-55.5	179.5	0	0	0	108.4	H246 D248 E253 N257	H246-I255 PolarHBondContact N-O 3.44Å; H246-I255 PolarHBondContact O-N 2.88Å; D248-I255 HydrophobicContact CB-CD1 3.45Å; D248-I255 VanDerWaalsContact CB-CD1 3.45Å; D248-I255 HydrophobicContact CB-CG1 3.92Å; E253-I255 PolarHBondContact O-N 2.75Å; I255-N257 PolarHBondContact O-N 3.43Å
256	D	71.5	Confident	78.3	Confident	32 Å²	32	84.5 Å²	84.5	17%	0.171	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-54.6	137	170.5	-70.4	-12.3	0	0	0	109.2	P258	D256-P258 VanDerWaalsContact O-N 3.16Å
257	N	81.7	Confident	79.5	Confident	34 Å²	34	79.2 Å²	79.2	18%	0.182	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-57.3	124.8	-177.5	-174.3	-48.5	0	0	0	110.1	I244 I255 Y259 I260 Y261	I244-N257 HydrophobicContact CG2-CB 4.07Å; I244-N257 PolarHBondContact O-ND2 2.8Å; I255-N257 PolarHBondContact O-N 3.43Å; N257-Y259 PolarHBondContact O-N 3.41Å; N257-Y259 VanDerWaalsContact O-N 3.15Å; N257-Y259 WeakPolarHBondContact OD1-CB 3.1Å; N257-Y259 VanDerWaalsContact OD1-CD2 3.32Å; N257-Y259 WeakPolarHBondContact OD1-CD2 3.43Å; N257-Y259 PolarHBondContact OD1-N 3.28Å; N257-I260 HydrophobicContact CB-CB 4.27Å; N257-I260 HydrophobicContact CB-CD1 3.96Å; N257-I260 HydrophobicContact CB-CG1 3.97Å; N257-I260 PolarHBondContact O-N 2.97Å; N257-Y261 PolarHBondContact O-N 3.49Å
258	P	83.5	Confident	80.7	Confident	55 Å²	55	73.2 Å²	73.2	36%	0.357	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-34.6	-173.9	21.7	-33.2	0	0	0	112.3	D256 Y261 Y262	D256-P258 VanDerWaalsContact O-N 3.16Å; P258-Y261 WeakPolarHBondContact O-CB 3.31Å; P258-Y261 PolarHBondContact O-N 3.38Å; P258-Y262 HydrophobicContact CB-CE2 4.42Å; P258-Y262 WeakPolarHBondContact O-CD2 3.4Å; P258-Y262 PolarHBondContact O-N 3.12Å
259	Y	87.8	Confident	82.1	Confident	182 Å²	182	74.2 Å²	74.2	71%	0.714	39%	0.393	S	S	*	.	H	α-helix	trans	-65.5	-40.6	176.3	-60.1	-70.6	0	0	0	112.4	N257 Y262 V263	N257-Y259 PolarHBondContact O-N 3.41Å; N257-Y259 VanDerWaalsContact O-N 3.15Å; N257-Y259 WeakPolarHBondContact OD1-CB 3.1Å; N257-Y259 VanDerWaalsContact OD1-CD2 3.32Å; N257-Y259 WeakPolarHBondContact OD1-CD2 3.43Å; N257-Y259 PolarHBondContact OD1-N 3.28Å; Y259-Y262 PolarHBondContact O-N 3.33Å; Y259-V263 WeakPolarHBondContact O-CG2 3.44Å; Y259-V263 PolarHBondContact O-N 3.15Å; Y259-V263 VanDerWaalsContact O-N 3.13Å
260	I	88.9	Confident	83.6	Confident	18 Å²	18	71.1 Å²	71.1	9%	0.092	37%	0.365	C	S	.	.	H	α-helix	trans	-71.4	-36	178	-56.6	179.7	0	0	0	110.4	A235 L238 N239 I244 N257 Y262 V263 E264	A235-I260 HydrophobicContact CB-CG2 3.85Å; L238-I260 HydrophobicContact CB-CD1 3.85Å; N239-I260 VanDerWaalsContact ND2-CG2 3.26Å; N239-I260 WeakPolarHBondContact ND2-CG2 3.42Å; N239-I260 WeakPolarHBondContact OD1-CB 3.34Å; N239-I260 WeakPolarHBondContact OD1-CD1 3.41Å; N239-I260 WeakPolarHBondContact OD1-CG2 3.24Å; I244-I260 HydrophobicContact CG2-CD1 3.48Å; I244-I260 VanDerWaalsContact CG2-CD1 3.48Å; N257-I260 HydrophobicContact CB-CB 4.27Å; N257-I260 HydrophobicContact CB-CD1 3.96Å; N257-I260 HydrophobicContact CB-CG1 3.97Å; N257-I260 PolarHBondContact O-N 2.97Å; I260-Y262 PolarHBondContact O-N 3.01Å; I260-V263 WeakPolarHBondContact O-CB 3.28Å; I260-V263 PolarHBondContact O-N 3.28Å; I260-E264 PolarHBondContact O-N 3.07Å
261	Y	87.1	Confident	84.8	Confident	99 Å²	99	63.9 Å²	63.9	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-58	-46.5	171.8	176.3	-101.3	0	0	0	111.7	N257 P258 V263 E264 V265 F304	N257-Y261 PolarHBondContact O-N 3.49Å; P258-Y261 WeakPolarHBondContact O-CB 3.31Å; P258-Y261 PolarHBondContact O-N 3.38Å; Y261-V263 VanDerWaalsContact C-N 3.33Å; Y261-V263 PolarHBondContact O-N 2.9Å; Y261-E264 WeakPolarHBondContact O-CB 3.49Å; Y261-E264 PolarHBondContact O-N 2.95Å; Y261-E264 VanDerWaalsContact O-N 3.14Å; Y261-V265 HydrophobicContact CD1-CG2 4.2Å; Y261-V265 HydrophobicContact CE1-CG2 3.74Å; Y261-V265 HydrophobicContact CE2-CG2 4.09Å; Y261-V265 WeakPolarHBondContact O-CG2 3.4Å; Y261-V265 PolarHBondContact O-N 3.32Å; Y261-F304 HydrophobicContact CE2-CE2 4.47Å
262	Y	90.9	Very high	86.1	Confident	153 Å²	153	61.6 Å²	61.6	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-60.5	-41.2	175.2	-69.1	-59.2	0	0	0	112.6	P258 Y259 I260 E264 V265 V266	P258-Y262 HydrophobicContact CB-CE2 4.42Å; P258-Y262 WeakPolarHBondContact O-CD2 3.4Å; P258-Y262 PolarHBondContact O-N 3.12Å; Y259-Y262 PolarHBondContact O-N 3.33Å; I260-Y262 PolarHBondContact O-N 3.01Å; Y262-E264 VanDerWaalsContact C-N 3.31Å; Y262-E264 PolarHBondContact O-N 2.79Å; Y262-V265 PolarHBondContact O-N 2.96Å; Y262-V266 WeakPolarHBondContact O-CG2 3.44Å; Y262-V266 PolarHBondContact O-N 2.97Å
263	V	92.4	Very high	87.5	Confident	52 Å²	52	60.9 Å²	60.9	32%	0.315	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-43.5	174.5	172.4	0	0	0	0	111	L231 A235 Y259 I260 Y261 V266 C267	L231-V263 HydrophobicContact CD1-CG1 4.03Å; L231-V263 HydrophobicContact CD2-CG1 4.03Å; L231-V263 HydrophobicContact CG-CG1 3.84Å; A235-V263 HydrophobicContact CB-CG1 4.2Å; Y259-V263 WeakPolarHBondContact O-CG2 3.44Å; Y259-V263 PolarHBondContact O-N 3.15Å; Y259-V263 VanDerWaalsContact O-N 3.13Å; I260-V263 WeakPolarHBondContact O-CB 3.28Å; I260-V263 PolarHBondContact O-N 3.28Å; Y261-V263 VanDerWaalsContact C-N 3.33Å; Y261-V263 PolarHBondContact O-N 2.9Å; V263-V266 PolarHBondContact O-N 3.19Å; V263-C267 PolarHBondContact O-N 3.04Å; V263-C267 PolarHBondContact O-SG 2.85Å
264	E	91	Very high	88.9	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.014	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-47	176.7	175.2	159.3	-153.3	0	0	111.6	I260 Y261 Y262 V266 C267 I268 R335 R338	I260-E264 PolarHBondContact O-N 3.07Å; Y261-E264 WeakPolarHBondContact O-CB 3.49Å; Y261-E264 PolarHBondContact O-N 2.95Å; Y261-E264 VanDerWaalsContact O-N 3.14Å; Y262-E264 VanDerWaalsContact C-N 3.31Å; Y262-E264 PolarHBondContact O-N 2.79Å; E264-V266 VanDerWaalsContact C-N 3.34Å; E264-V266 PolarHBondContact O-N 3.41Å; E264-C267 PolarHBondContact O-N 2.8Å; E264-I268 HydrophobicContact CG-CD1 3.41Å; E264-I268 VanDerWaalsContact CG-CD1 3.41Å; E264-I268 HydrophobicContact CG-CG1 4.42Å; E264-I268 WeakPolarHBondContact O-CD1 3.43Å; E264-I268 VanDerWaalsContact O-CG1 3.31Å; E264-I268 WeakPolarHBondContact O-CG1 3.47Å; E264-I268 PolarHBondContact O-N 3.16Å; E264-R335 VanDerWaalsContact CD-NH1 3.3Å; E264-R335 VanDerWaalsContact OE1-CD 3.3Å; E264-R335 WeakPolarHBondContact OE1-CD 3.49Å; E264-R335 IonicContact OE1-CZ 3.99Å; E264-R335 IonicContact OE1-NE 3.12Å; E264-R335 PolarHBondContact OE1-NE 3.39Å; E264-R335 IonicContact OE1-NH1 3.44Å; E264-R335 PolarHBondContact OE1-NH1 2.94Å; E264-R335 VanDerWaalsContact OE1-NH1 3.1Å; E264-R335 IonicContact OE2-CZ 2.7Å; E264-R335 IonicContact OE2-NH1 3.81Å; E264-R335 PolarHBondContact OE2-NH1 3.46Å; E264-R338 IonicContact OE1-NH1 3.58Å; E264-R338 PolarHBondContact OE1-NH1 2.88Å; E264-R338 IonicContact OE1-NH2 3.1Å
265	V	92.9	Very high	90.3	Very high	47 Å²	47	54.1 Å²	54.1	29%	0.285	26%	0.264	S	S	.	.	H	α-helix	trans	-57.6	-45.3	176.4	172.5	0	0	0	0	111.4	Y261 Y262 I268 A269 F304	Y261-V265 HydrophobicContact CD1-CG2 4.2Å; Y261-V265 HydrophobicContact CE1-CG2 3.74Å; Y261-V265 HydrophobicContact CE2-CG2 4.09Å; Y261-V265 WeakPolarHBondContact O-CG2 3.4Å; Y261-V265 PolarHBondContact O-N 3.32Å; Y262-V265 PolarHBondContact O-N 2.96Å; V265-I268 PolarHBondContact O-N 3.34Å; V265-A269 VanDerWaalsContact O-CB 3.32Å; V265-A269 WeakPolarHBondContact O-CB 3.49Å; V265-A269 PolarHBondContact O-N 2.82Å; V265-F304 HydrophobicContact CG2-CE2 3.94Å; V265-F304 HydrophobicContact CG2-CZ 4.13Å
266	V	95.3	Very high	91.5	Very high	86 Å²	86	53.8 Å²	53.8	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-42.9	178	174.5	0	0	0	0	111.3	F228 Y262 V263 E264 I268 A269 W270	F228-V266 HydrophobicContact CE1-CG1 4.11Å; Y262-V266 WeakPolarHBondContact O-CG2 3.44Å; Y262-V266 PolarHBondContact O-N 2.97Å; V263-V266 PolarHBondContact O-N 3.19Å; E264-V266 VanDerWaalsContact C-N 3.34Å; E264-V266 PolarHBondContact O-N 3.41Å; V266-I268 PolarHBondContact O-N 3.39Å; V266-A269 PolarHBondContact O-N 2.86Å; V266-W270 PolarHBondContact O-N 3.36Å
267	C	95.5	Very high	92.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-41.9	177.2	-66.9	0	0	0	0	112.1	F228 A232 V263 E264 W270 F271	F228-C267 HydrophobicContact CD1-CB 4.38Å; A232-C267 HydrophobicContact CB-CB 3.99Å; V263-C267 PolarHBondContact O-N 3.04Å; V263-C267 PolarHBondContact O-SG 2.85Å; E264-C267 PolarHBondContact O-N 2.8Å; C267-W270 WeakPolarHBondContact O-CB 3.34Å; C267-W270 PolarHBondContact O-N 3.4Å; C267-F271 VanDerWaalsContact O-CG 3.31Å; C267-F271 WeakPolarHBondContact O-CG 3.49Å; C267-F271 PolarHBondContact O-N 3.48Å
268	I	94.7	Very high	93.1	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-70.8	-40.7	179.7	-67.6	155.7	0	0	0	110.6	E264 V265 V266 W270 F271 T272 F304 Y305	E264-I268 HydrophobicContact CG-CD1 3.41Å; E264-I268 VanDerWaalsContact CG-CD1 3.41Å; E264-I268 HydrophobicContact CG-CG1 4.42Å; E264-I268 WeakPolarHBondContact O-CD1 3.43Å; E264-I268 VanDerWaalsContact O-CG1 3.31Å; E264-I268 WeakPolarHBondContact O-CG1 3.47Å; E264-I268 PolarHBondContact O-N 3.16Å; V265-I268 PolarHBondContact O-N 3.34Å; V266-I268 PolarHBondContact O-N 3.39Å; I268-W270 PolarHBondContact O-N 3.28Å; I268-F271 PolarHBondContact O-N 2.92Å; I268-F271 VanDerWaalsContact O-N 3.11Å; I268-T272 WeakPolarHBondContact O-CB 3.41Å; I268-T272 PolarHBondContact O-N 2.91Å; I268-T272 PolarHBondContact O-OG1 3.46Å; I268-T272 VanDerWaalsContact O-OG1 3.08Å; I268-F304 HydrophobicContact CD1-CB 3.53Å; I268-F304 HydrophobicContact CD1-CD1 4.34Å; I268-F304 HydrophobicContact CD1-CD2 3.43Å; I268-F304 VanDerWaalsContact CD1-CD2 3.43Å; I268-F304 HydrophobicContact CD1-CE2 4.2Å; I268-F304 HydrophobicContact CD1-CG 3.52Å; I268-F304 HydrophobicContact CG1-CB 4.37Å; I268-F304 HydrophobicContact CG2-CB 4.15Å; I268-F304 HydrophobicContact CG2-CD1 3.8Å; I268-F304 HydrophobicContact CG2-CE1 4.4Å; I268-F304 HydrophobicContact CG2-CG 4.02Å; I268-Y305 HydrophobicContact CG2-CE2 4.26Å
269	A	96.2	Very high	93.7	Very high	55 Å²	55	52.9 Å²	52.9	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-55.9	-43.1	173.1	0	0	0	0	0	111.1	V265 V266 F273	V265-A269 VanDerWaalsContact O-CB 3.32Å; V265-A269 WeakPolarHBondContact O-CB 3.49Å; V265-A269 PolarHBondContact O-N 2.82Å; V266-A269 PolarHBondContact O-N 2.86Å; A269-F273 WeakPolarHBondContact O-CB 3.23Å; A269-F273 PolarHBondContact O-N 2.88Å
270	W	96.5	Very high	93.9	Very high	60 Å²	60	50.5 Å²	50.5	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-47.9	173.3	-178	-97.9	0	0	0	112.3	I224 F228 V266 C267 I268 T272 F273 E274	I224-W270 HydrophobicContact CB-CZ2 4.4Å; I224-W270 HydrophobicContact CG2-CH2 3.95Å; I224-W270 HydrophobicContact CG2-CZ2 3.58Å; F228-W270 HydrophobicContact CB-CG 4.49Å; F228-W270 HydrophobicContact CD1-CB 4.12Å; F228-W270 HydrophobicContact CD1-CG 4.25Å; F228-W270 HydrophobicContact CD2-CB 4.36Å; F228-W270 AromaticContact CD2-CD1 3.54Å; F228-W270 AromaticContact CD2-CD2 3.87Å; F228-W270 HydrophobicContact CD2-CD2 3.87Å; F228-W270 AromaticContact CD2-CE2 3.91Å; F228-W270 AromaticContact CD2-CG 3.66Å; F228-W270 HydrophobicContact CD2-CG 3.66Å; F228-W270 AromaticContact CD2-NE1 3.71Å; F228-W270 HydrophobicContact CE1-CB 4.16Å; F228-W270 HydrophobicContact CE1-CG 4.42Å; F228-W270 HydrophobicContact CE2-CB 4.41Å; F228-W270 AromaticContact CE2-CD2 3.74Å; F228-W270 HydrophobicContact CE2-CD2 3.74Å; F228-W270 HydrophobicContact CE2-CE3 4.11Å; F228-W270 AromaticContact CE2-CG 3.85Å; F228-W270 HydrophobicContact CE2-CG 3.85Å; F228-W270 HydrophobicContact CG-CB 4.23Å; F228-W270 AromaticContact CG-CD1 3.68Å; F228-W270 AromaticContact CG-CG 3.88Å; F228-W270 HydrophobicContact CG-CG 3.88Å; F228-W270 HydrophobicContact CZ-CB 4.31Å; F228-W270 HydrophobicContact CZ-CD2 4.32Å; F228-W270 HydrophobicContact CZ-CE3 4.49Å; F228-W270 HydrophobicContact CZ-CG 4.23Å; V266-W270 PolarHBondContact O-N 3.36Å; C267-W270 WeakPolarHBondContact O-CB 3.34Å; C267-W270 PolarHBondContact O-N 3.4Å; I268-W270 PolarHBondContact O-N 3.28Å; W270-T272 PolarHBondContact O-N 2.9Å; W270-F273 HydrophobicContact CE3-CD1 4.47Å; W270-F273 HydrophobicContact CZ3-CD1 4.42Å; W270-F273 WeakPolarHBondContact O-CB 3.48Å; W270-F273 PolarHBondContact O-N 3.32Å; W270-E274 WeakPolarHBondContact O-CB 3.45Å; W270-E274 PolarHBondContact O-N 3.24Å
271	F	96.5	Very high	94	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-38.6	179.6	-64.6	-21.7	0	0	0	113.4	F228 I229 A232 C267 I268 E274 Y275 I301 K341	F228-F271 HydrophobicContact CB-CE1 3.81Å; F228-F271 HydrophobicContact CB-CZ 4.27Å; I229-F271 HydrophobicContact CB-CZ 4.42Å; I229-F271 HydrophobicContact CG1-CE1 3.82Å; I229-F271 HydrophobicContact CG1-CZ 3.8Å; A232-F271 HydrophobicContact CB-CE2 4.16Å; A232-F271 HydrophobicContact CB-CZ 4.27Å; C267-F271 VanDerWaalsContact O-CG 3.31Å; C267-F271 WeakPolarHBondContact O-CG 3.49Å; C267-F271 PolarHBondContact O-N 3.48Å; I268-F271 PolarHBondContact O-N 2.92Å; I268-F271 VanDerWaalsContact O-N 3.11Å; F271-E274 WeakPolarHBondContact O-CB 3.35Å; F271-E274 PolarHBondContact O-N 3.45Å; F271-Y275 WeakPolarHBondContact O-CB 3.39Å; F271-Y275 PolarHBondContact O-N 3.38Å; F271-I301 HydrophobicContact CB-CG2 3.54Å; F271-K341 HydrophobicContact CD1-CD 4.23Å; F271-K341 HydrophobicContact CE1-CD 4.35Å
272	T	96.6	Very high	94.1	Very high	26 Å²	26	44.9 Å²	44.9	16%	0.16	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-44.2	173.6	-62.4	0	0	0	0	110.6	I268 W270 Y275 T276 Y305	I268-T272 WeakPolarHBondContact O-CB 3.41Å; I268-T272 PolarHBondContact O-N 2.91Å; I268-T272 PolarHBondContact O-OG1 3.46Å; I268-T272 VanDerWaalsContact O-OG1 3.08Å; W270-T272 PolarHBondContact O-N 2.9Å; T272-Y275 PolarHBondContact O-N 3.47Å; T272-T276 HydrophobicContact CG2-CG2 4.22Å; T272-T276 WeakPolarHBondContact O-CB 3.35Å; T272-T276 VanDerWaalsContact O-CG2 3.29Å; T272-T276 WeakPolarHBondContact O-CG2 3.29Å; T272-T276 PolarHBondContact O-N 2.81Å; T272-T276 PolarHBondContact O-OG1 3.29Å; T272-Y305 WeakPolarHBondContact CB-OH 3.15Å; T272-Y305 VanDerWaalsContact CG2-OH 3.31Å; T272-Y305 WeakPolarHBondContact CG2-OH 3.49Å; T272-Y305 WeakPolarHBondContact OG1-CE2 3.48Å; T272-Y305 PolarHBondContact OG1-OH 3.44Å
273	F	96	Very high	93.8	Very high	115 Å²	115	39.2 Å²	39.2	50%	0.504	21%	0.206	S	C	.	.	H	α-helix	trans	-59.2	-47.1	173.7	170.8	-102.6	0	0	0	111.4	A269 W270 Y275 T276 A277	A269-F273 WeakPolarHBondContact O-CB 3.23Å; A269-F273 PolarHBondContact O-N 2.88Å; W270-F273 HydrophobicContact CE3-CD1 4.47Å; W270-F273 HydrophobicContact CZ3-CD1 4.42Å; W270-F273 WeakPolarHBondContact O-CB 3.48Å; W270-F273 PolarHBondContact O-N 3.32Å; F273-Y275 VanDerWaalsContact C-N 3.35Å; F273-Y275 PolarHBondContact O-N 3.25Å; F273-T276 WeakPolarHBondContact CA-OG1 3.47Å; F273-T276 PolarHBondContact O-N 3.41Å; F273-T276 PolarHBondContact O-OG1 2.86Å; F273-T276 VanDerWaalsContact O-OG1 3.06Å; F273-A277 HydrophobicContact CE2-CB 4.48Å; F273-A277 HydrophobicContact CZ-CB 4.44Å; F273-A277 WeakPolarHBondContact O-CB 3.5Å; F273-A277 PolarHBondContact O-N 3.48Å
274	E	95.3	Very high	93.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-57	-47.9	177.8	-133.4	-169.3	117.2	0	0	111.5	W270 F271 R278 K341	W270-E274 WeakPolarHBondContact O-CB 3.45Å; W270-E274 PolarHBondContact O-N 3.24Å; F271-E274 WeakPolarHBondContact O-CB 3.35Å; F271-E274 PolarHBondContact O-N 3.45Å; E274-R278 VanDerWaalsContact CD-NH1 3.26Å; E274-R278 WeakPolarHBondContact O-CB 3.17Å; E274-R278 VanDerWaalsContact O-CG 3.31Å; E274-R278 WeakPolarHBondContact O-CG 3.48Å; E274-R278 PolarHBondContact O-N 2.92Å; E274-R278 IonicContact OE1-CZ 2.77Å; E274-R278 IonicContact OE1-NH1 3.15Å; E274-R278 PolarHBondContact OE1-NH1 3.26Å; E274-R278 IonicContact OE1-NH2 3.72Å; E274-R278 PolarHBondContact OE1-NH2 2.85Å; E274-K341 WeakPolarHBondContact OE1-CE 3.27Å; E274-K341 IonicContact OE1-NZ 2.84Å; E274-K341 WeakPolarHBondContact OE2-CE 2.96Å; E274-K341 IonicContact OE2-NZ 3.41Å; E274-K341 PolarHBondContact OE2-NZ 2.92Å
275	Y	95.3	Very high	93.4	Very high	33 Å²	33	43.7 Å²	43.7	13%	0.129	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-46.3	-179.4	-179.4	-100.8	0	0	0	111.9	F271 T272 F273 R278 F279 F288 D297 V298	F271-Y275 WeakPolarHBondContact O-CB 3.39Å; F271-Y275 PolarHBondContact O-N 3.38Å; T272-Y275 PolarHBondContact O-N 3.47Å; F273-Y275 VanDerWaalsContact C-N 3.35Å; F273-Y275 PolarHBondContact O-N 3.25Å; Y275-R278 PolarHBondContact O-N 3.46Å; Y275-F279 VanDerWaalsContact O-CB 3.32Å; Y275-F279 WeakPolarHBondContact O-CB 3.35Å; Y275-F279 PolarHBondContact O-N 3.47Å; Y275-F288 HydrophobicContact CD2-CE1 4.41Å; Y275-F288 AromaticContact CE2-CE1 3.78Å; Y275-F288 HydrophobicContact CE2-CE1 3.78Å; Y275-F288 HydrophobicContact CE2-CZ 4.31Å; Y275-D297 HydrophobicContact CD2-CB 3.72Å; Y275-D297 HydrophobicContact CE2-CB 4.36Å; Y275-V298 HydrophobicContact CD2-CG2 4.26Å; Y275-V298 HydrophobicContact CE1-CG2 4.01Å; Y275-V298 HydrophobicContact CE2-CG2 3.47Å; Y275-V298 VanDerWaalsContact CE2-CG2 3.47Å; Y275-V298 VanDerWaalsContact OH-CG2 3.31Å; Y275-V298 WeakPolarHBondContact OH-CG2 3.32Å
276	T	95.3	Very high	93.3	Very high	71 Å²	71	47.9 Å²	47.9	44%	0.436	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-40.4	179.9	52.2	0	0	0	0	112	T272 F273 F279 W280	T272-T276 HydrophobicContact CG2-CG2 4.22Å; T272-T276 WeakPolarHBondContact O-CB 3.35Å; T272-T276 VanDerWaalsContact O-CG2 3.29Å; T272-T276 WeakPolarHBondContact O-CG2 3.29Å; T272-T276 PolarHBondContact O-N 2.81Å; T272-T276 PolarHBondContact O-OG1 3.29Å; F273-T276 WeakPolarHBondContact CA-OG1 3.47Å; F273-T276 PolarHBondContact O-N 3.41Å; F273-T276 PolarHBondContact O-OG1 2.86Å; F273-T276 VanDerWaalsContact O-OG1 3.06Å; T276-F279 PolarHBondContact O-N 2.86Å; T276-W280 WeakPolarHBondContact O-CB 3.38Å; T276-W280 PolarHBondContact O-N 3.2Å
277	A	94.6	Very high	92.9	Very high	19 Å²	19	48.5 Å²	48.5	16%	0.157	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-41.5	175.5	0	0	0	0	0	111.6	L209 F273 W280 A281	L209-A277 HydrophobicContact CD1-CB 3.58Å; F273-A277 HydrophobicContact CE2-CB 4.48Å; F273-A277 HydrophobicContact CZ-CB 4.44Å; F273-A277 WeakPolarHBondContact O-CB 3.5Å; F273-A277 PolarHBondContact O-N 3.48Å; A277-W280 PolarHBondContact O-N 3.45Å; A277-A281 VanDerWaalsContact O-CB 3.31Å; A277-A281 WeakPolarHBondContact O-CB 3.49Å; A277-A281 PolarHBondContact O-N 3.01Å
278	R	93.5	Very high	92.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-44.3	172.7	-76.3	-169.9	-169.9	96.5	10	112.5	L209 E210 E274 Y275 W280 A281 A282 F288 D297	L209-R278 HydrophobicContact CB-CG 3.84Å; L209-R278 HydrophobicContact CD1-CG 4.18Å; L209-R278 PolarHBondContact O-NE 3.25Å; L209-R278 VanDerWaalsContact O-NE 3.11Å; L209-R278 PolarHBondContact O-NH2 3.25Å; L209-R278 VanDerWaalsContact O-NH2 3.12Å; E210-R278 WeakPolarHBondContact OE2-CD 3.01Å; E210-R278 IonicContact OE2-NE 2.78Å; E274-R278 VanDerWaalsContact CD-NH1 3.26Å; E274-R278 WeakPolarHBondContact O-CB 3.17Å; E274-R278 VanDerWaalsContact O-CG 3.31Å; E274-R278 WeakPolarHBondContact O-CG 3.48Å; E274-R278 PolarHBondContact O-N 2.92Å; E274-R278 IonicContact OE1-CZ 2.77Å; E274-R278 IonicContact OE1-NH1 3.15Å; E274-R278 PolarHBondContact OE1-NH1 3.26Å; E274-R278 IonicContact OE1-NH2 3.72Å; E274-R278 PolarHBondContact OE1-NH2 2.85Å; Y275-R278 PolarHBondContact O-N 3.46Å; R278-W280 VanDerWaalsContact C-N 3.3Å; R278-W280 PolarHBondContact O-N 2.93Å; R278-A281 PolarHBondContact O-N 2.86Å; R278-A282 WeakPolarHBondContact O-CB 3.36Å; R278-A282 PolarHBondContact O-N 3.41Å; R278-F288 HydrophobicContact CB-CE2 3.87Å; R278-F288 HydrophobicContact CB-CZ 3.69Å; R278-D297 IonicContact NH1-OD2 3.1Å
279	F	94.4	Very high	92.5	Very high	81 Å²	81	51.5 Å²	51.5	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-43.4	176.5	-179.7	-101.2	0	0	0	110.7	Y275 T276 A282 K285 F288 V289	Y275-F279 VanDerWaalsContact O-CB 3.32Å; Y275-F279 WeakPolarHBondContact O-CB 3.35Å; Y275-F279 PolarHBondContact O-N 3.47Å; T276-F279 PolarHBondContact O-N 2.86Å; F279-A282 PolarHBondContact O-N 3.15Å; F279-K285 HydrophobicContact CE1-CD 4.45Å; F279-K285 HydrophobicContact CE2-CB 3.82Å; F279-K285 HydrophobicContact CE2-CD 4.25Å; F279-K285 HydrophobicContact CE2-CG 4.41Å; F279-K285 HydrophobicContact CZ-CB 3.92Å; F279-K285 HydrophobicContact CZ-CD 4.2Å; F279-K285 HydrophobicContact CZ-CG 4.2Å; F279-K285 VanDerWaalsContact O-CD 3.27Å; F279-K285 WeakPolarHBondContact O-CD 3.47Å; F279-K285 WeakPolarHBondContact O-CE 3.5Å; F279-K285 PolarHBondContact O-NZ 2.89Å; F279-F288 HydrophobicContact CB-CD1 4.44Å; F279-F288 HydrophobicContact CB-CE1 3.97Å; F279-F288 AromaticContact CD2-CD1 3.72Å; F279-F288 HydrophobicContact CD2-CD1 3.72Å; F279-F288 AromaticContact CD2-CE1 4Å; F279-F288 HydrophobicContact CD2-CE1 4Å; F279-V289 HydrophobicContact CD2-CG2 4.2Å; F279-V289 HydrophobicContact CE2-CG2 3.85Å
280	W	92.8	Very high	92.2	Very high	132 Å²	132	57.2 Å²	57.2	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-42.8	175.6	176.1	83.7	0	0	0	112.6	L201 R202 A205 T276 A277 R278 A282 K285	L201-W280 HydrophobicContact CD2-CH2 4.05Å; L201-W280 HydrophobicContact CG-CH2 4.16Å; R202-W280 HydrophobicContact CG-CH2 3.97Å; R202-W280 HydrophobicContact CG-CZ2 4.09Å; R202-W280 HydrophobicContact CG-CZ3 4.18Å; R202-W280 PolarHBondContact NE-O 3.34Å; A205-W280 HydrophobicContact CB-CZ3 3.93Å; T276-W280 WeakPolarHBondContact O-CB 3.38Å; T276-W280 PolarHBondContact O-N 3.2Å; A277-W280 PolarHBondContact O-N 3.45Å; R278-W280 VanDerWaalsContact C-N 3.3Å; R278-W280 PolarHBondContact O-N 2.93Å; W280-A282 PolarHBondContact O-N 2.91Å; W280-K285 VanDerWaalsContact C-NZ 3.3Å; W280-K285 PolarHBondContact O-NZ 3.34Å
281	A	90.9	Very high	91.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-38.6	177.3	0	0	0	0	0	111.5	F193 R202 A205 W206 A277 R278	F193-A281 VanDerWaalsContact CE1-O 3.23Å; F193-A281 WeakPolarHBondContact CE1-O 3.35Å; R202-A281 PolarHBondContact NE-O 3.43Å; A205-A281 HydrophobicContact CB-CB 4.07Å; W206-A281 HydrophobicContact CB-CB 4.08Å; W206-A281 HydrophobicContact CE3-CB 4.05Å; A277-A281 VanDerWaalsContact O-CB 3.31Å; A277-A281 WeakPolarHBondContact O-CB 3.49Å; A277-A281 PolarHBondContact O-N 3.01Å; R278-A281 PolarHBondContact O-N 2.86Å
282	A	89	Confident	91.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.308	C	S	.	.			trans	-48.5	135.4	-169.7	0	0	0	0	0	114.6	R202 W206 R278 F279 W280 K285 F288	R202-A282 PolarHBondContact NH2-O 2.9Å; W206-A282 VanDerWaalsContact CE3-CA 3.49Å; W206-A282 HydrophobicContact CE3-CB 4.16Å; W206-A282 HydrophobicContact CH2-CB 4.2Å; W206-A282 VanDerWaalsContact CZ3-CA 3.42Å; W206-A282 HydrophobicContact CZ3-CB 3.55Å; R278-A282 WeakPolarHBondContact O-CB 3.36Å; R278-A282 PolarHBondContact O-N 3.41Å; F279-A282 PolarHBondContact O-N 3.15Å; W280-A282 PolarHBondContact O-N 2.91Å; A282-K285 HydrophobicContact CB-CD 4.37Å; A282-K285 PolarHBondContact O-NZ 2.71Å; A282-F288 HydrophobicContact CB-CB 3.85Å; A282-F288 HydrophobicContact CB-CD2 3.58Å; A282-F288 HydrophobicContact CB-CE2 4.33Å; A282-F288 HydrophobicContact CB-CG 3.8Å
283	P	85.2	Confident	91.2	Very high	33 Å²	33	64.2 Å²	64.2	21%	0.214	31%	0.313	C	S	.	.	S	Bend	trans	-65.7	-48.4	179.8	23.3	-31.6	0	0	0	111.8	T190 F193	T190-P283 VanDerWaalsContact O-CB 3.27Å; T190-P283 WeakPolarHBondContact O-CB 3.36Å; T190-P283 WeakPolarHBondContact O-CG 3.5Å; F193-P283 HydrophobicContact CD1-CB 4.43Å; F193-P283 HydrophobicContact CE1-CB 4.3Å; F193-P283 HydrophobicContact CZ-CB 4.33Å; F193-P283 HydrophobicContact CZ-CG 4.26Å
284	N	85.9	Confident	91.1	Very high	88 Å²	88	58.8 Å²	58.8	47%	0.471	29%	0.289	S	S	.	.			trans	-119.1	114.2	176.1	-175.3	-38.6	0	0	0	110.9	L286 K287 F288	N284-L286 PolarHBondContact OD1-N 2.91Å; N284-K287 HydrophobicContact CB-CB 4.07Å; N284-K287 PolarHBondContact OD1-N 2.92Å; N284-F288 VanDerWaalsContact O-CB 3.29Å; N284-F288 WeakPolarHBondContact O-CB 3.45Å; N284-F288 PolarHBondContact O-N 2.97Å
285	K	89.1	Confident	91	Very high	62 Å²	62	61.7 Å²	61.7	27%	0.27	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-43	-173.2	-51.5	-53.3	-175.7	-166.2	0	113.2	F279 W280 A282 F288 V289	F279-K285 HydrophobicContact CE1-CD 4.45Å; F279-K285 HydrophobicContact CE2-CB 3.82Å; F279-K285 HydrophobicContact CE2-CD 4.25Å; F279-K285 HydrophobicContact CE2-CG 4.41Å; F279-K285 HydrophobicContact CZ-CB 3.92Å; F279-K285 HydrophobicContact CZ-CD 4.2Å; F279-K285 HydrophobicContact CZ-CG 4.2Å; F279-K285 VanDerWaalsContact O-CD 3.27Å; F279-K285 WeakPolarHBondContact O-CD 3.47Å; F279-K285 WeakPolarHBondContact O-CE 3.5Å; F279-K285 PolarHBondContact O-NZ 2.89Å; W280-K285 VanDerWaalsContact C-NZ 3.3Å; W280-K285 PolarHBondContact O-NZ 3.34Å; A282-K285 HydrophobicContact CB-CD 4.37Å; A282-K285 PolarHBondContact O-NZ 2.71Å; K285-F288 WeakPolarHBondContact O-CB 3.41Å; K285-F288 PolarHBondContact O-N 3.36Å; K285-V289 WeakPolarHBondContact O-CG2 3.37Å; K285-V289 PolarHBondContact O-N 3.39Å; K285-V289 VanDerWaalsContact O-N 3.08Å
286	L	89.5	Confident	90.9	Very high	135 Å²	135	62 Å²	62	71%	0.707	31%	0.311	S	S	*	.	H	α-helix	trans	-68.7	-41.6	-179.6	-70.6	169.9	0	0	0	111.4	N284 F288 V289 K290	N284-L286 PolarHBondContact OD1-N 2.91Å; L286-F288 VanDerWaalsContact C-N 3.28Å; L286-F288 PolarHBondContact O-N 3.19Å; L286-V289 PolarHBondContact O-N 3.32Å; L286-K290 WeakPolarHBondContact O-CG 3.32Å; L286-K290 PolarHBondContact O-N 3.48Å
287	K	87.9	Confident	90.9	Very high	98 Å²	98	58.7 Å²	58.7	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-35.4	174.8	-168.5	170.1	-174.9	170.1	0	111.1	T190 N284 K290 R291	T190-K287 HydrophobicContact CG2-CD 3.98Å; N284-K287 HydrophobicContact CB-CB 4.07Å; N284-K287 PolarHBondContact OD1-N 2.92Å; K287-K290 PolarHBondContact O-N 2.96Å; K287-R291 WeakPolarHBondContact O-CG 3.42Å; K287-R291 PolarHBondContact O-N 2.99Å
288	F	90.9	Very high	90.9	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-52.2	175.9	175.4	-88.7	0	0	0	111.8	W206 Y275 R278 F279 A282 N284 K285 L286 K290 R291 N294	W206-F288 AromaticContact CH2-CD2 3.78Å; W206-F288 HydrophobicContact CH2-CD2 3.78Å; W206-F288 HydrophobicContact CH2-CE2 4.06Å; W206-F288 AromaticContact CZ3-CD2 3.81Å; W206-F288 HydrophobicContact CZ3-CD2 3.81Å; W206-F288 AromaticContact CZ3-CE2 3.85Å; W206-F288 HydrophobicContact CZ3-CE2 3.85Å; Y275-F288 HydrophobicContact CD2-CE1 4.41Å; Y275-F288 AromaticContact CE2-CE1 3.78Å; Y275-F288 HydrophobicContact CE2-CE1 3.78Å; Y275-F288 HydrophobicContact CE2-CZ 4.31Å; R278-F288 HydrophobicContact CB-CE2 3.87Å; R278-F288 HydrophobicContact CB-CZ 3.69Å; F279-F288 HydrophobicContact CB-CD1 4.44Å; F279-F288 HydrophobicContact CB-CE1 3.97Å; F279-F288 AromaticContact CD2-CD1 3.72Å; F279-F288 HydrophobicContact CD2-CD1 3.72Å; F279-F288 AromaticContact CD2-CE1 4Å; F279-F288 HydrophobicContact CD2-CE1 4Å; A282-F288 HydrophobicContact CB-CB 3.85Å; A282-F288 HydrophobicContact CB-CD2 3.58Å; A282-F288 HydrophobicContact CB-CE2 4.33Å; A282-F288 HydrophobicContact CB-CG 3.8Å; N284-F288 VanDerWaalsContact O-CB 3.29Å; N284-F288 WeakPolarHBondContact O-CB 3.45Å; N284-F288 PolarHBondContact O-N 2.97Å; K285-F288 WeakPolarHBondContact O-CB 3.41Å; K285-F288 PolarHBondContact O-N 3.36Å; L286-F288 VanDerWaalsContact C-N 3.28Å; L286-F288 PolarHBondContact O-N 3.19Å; F288-K290 PolarHBondContact O-N 3.28Å; F288-R291 PolarHBondContact O-N 3.5Å; F288-R291 VanDerWaalsContact O-N 3.11Å; F288-N294 HydrophobicContact CD1-CB 4.49Å; F288-N294 WeakPolarHBondContact CD2-ND2 3.25Å; F288-N294 HydrophobicContact CE1-CB 4.15Å; F288-N294 WeakPolarHBondContact CE2-ND2 3.37Å; F288-N294 WeakPolarHBondContact CG-ND2 3.19Å; F288-N294 HydrophobicContact CZ-CB 4.19Å; F288-N294 WeakPolarHBondContact O-CB 3.42Å; F288-N294 PolarHBondContact O-ND2 3.38Å
289	V	91.7	Very high	90.9	Very high	65 Å²	65	62.9 Å²	62.9	39%	0.394	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-30.2	-177.3	176.5	0	0	0	0	112.2	F279 K285 L286 V295	F279-V289 HydrophobicContact CD2-CG2 4.2Å; F279-V289 HydrophobicContact CE2-CG2 3.85Å; K285-V289 WeakPolarHBondContact O-CG2 3.37Å; K285-V289 PolarHBondContact O-N 3.39Å; K285-V289 VanDerWaalsContact O-N 3.08Å; L286-V289 PolarHBondContact O-N 3.32Å; V289-V295 WeakPolarHBondContact O-CG2 3.38Å
290	K	90.1	Very high	90.8	Very high	174 Å²	174	59.4 Å²	59.4	76%	0.757	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-8	178.7	-68.1	-177.4	179.2	-173.9	0	115	L286 K287 F288	L286-K290 WeakPolarHBondContact O-CG 3.32Å; L286-K290 PolarHBondContact O-N 3.48Å; K287-K290 PolarHBondContact O-N 2.96Å; F288-K290 PolarHBondContact O-N 3.28Å
291	R	88.9	Confident	90.9	Very high	87 Å²	87	53.9 Å²	53.9	33%	0.328	28%	0.278	S	S	.	.	S	Bend	trans	-74.5	133.5	179.8	-70.7	-170.9	178.5	-160.1	-1.4	110.6	K287 F288 L293 N294 V295	K287-R291 WeakPolarHBondContact O-CG 3.42Å; K287-R291 PolarHBondContact O-N 2.99Å; F288-R291 PolarHBondContact O-N 3.5Å; F288-R291 VanDerWaalsContact O-N 3.11Å; R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 3.5Å; R291-L293 VanDerWaalsContact O-N 3.16Å; R291-N294 HydrophobicContact CB-CB 4.45Å; R291-N294 PolarHBondContact O-N 3.47Å; R291-V295 PolarHBondContact O-N 3.48Å; R291-V295 VanDerWaalsContact O-N 3.09Å
292	P	89.3	Confident	91	Very high	98 Å²	98	57 Å²	57	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-52.5	-41.8	-176.5	-28.7	34.3	0	0	0	114.6	N294 V295 I296	P292-N294 VanDerWaalsContact C-N 3.31Å; P292-N294 PolarHBondContact O-N 3.28Å; P292-V295 PolarHBondContact O-N 2.95Å; P292-I296 WeakPolarHBondContact O-CG1 3.36Å; P292-I296 PolarHBondContact O-N 3.03Å; P292-I296 VanDerWaalsContact O-N 3.07Å
293	L	90.3	Very high	91.1	Very high	49 Å²	49	57.1 Å²	57.1	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-32.8	178.8	-62.4	177.7	0	0	0	113.1	R291 I296 D297 A343	R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 3.5Å; R291-L293 VanDerWaalsContact O-N 3.16Å; L293-I296 PolarHBondContact O-N 3.41Å; L293-D297 PolarHBondContact O-N 3.46Å; L293-A343 HydrophobicContact CD2-CB 4.13Å
294	N	93.6	Very high	91.3	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-79.1	-28.7	177.7	-63.3	-26	0	0	0	111.6	F288 R291 P292 I296 D297 V298 R344	F288-N294 HydrophobicContact CD1-CB 4.49Å; F288-N294 WeakPolarHBondContact CD2-ND2 3.25Å; F288-N294 HydrophobicContact CE1-CB 4.15Å; F288-N294 WeakPolarHBondContact CE2-ND2 3.37Å; F288-N294 WeakPolarHBondContact CG-ND2 3.19Å; F288-N294 HydrophobicContact CZ-CB 4.19Å; F288-N294 WeakPolarHBondContact O-CB 3.42Å; F288-N294 PolarHBondContact O-ND2 3.38Å; R291-N294 HydrophobicContact CB-CB 4.45Å; R291-N294 PolarHBondContact O-N 3.47Å; P292-N294 VanDerWaalsContact C-N 3.31Å; P292-N294 PolarHBondContact O-N 3.28Å; N294-I296 VanDerWaalsContact C-N 3.34Å; N294-D297 PolarHBondContact O-N 3.28Å; N294-V298 WeakPolarHBondContact O-CG2 3.14Å; N294-V298 PolarHBondContact O-N 3.01Å; N294-R344 PolarHBondContact OD1-NH2 3.27Å
295	V	93.4	Very high	91.6	Very high	63 Å²	63	57 Å²	57	38%	0.382	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-42.6	169.8	177.2	0	0	0	0	110.1	V289 R291 P292 D297 V298 L299	V289-V295 WeakPolarHBondContact O-CG2 3.38Å; R291-V295 PolarHBondContact O-N 3.48Å; R291-V295 VanDerWaalsContact O-N 3.09Å; P292-V295 PolarHBondContact O-N 2.95Å; V295-D297 VanDerWaalsContact C-N 3.3Å; V295-D297 PolarHBondContact O-N 2.94Å; V295-V298 PolarHBondContact O-N 3.34Å; V295-V298 VanDerWaalsContact O-N 3.14Å; V295-L299 HydrophobicContact CG1-CD1 4.04Å; V295-L299 HydrophobicContact CG1-CG 4.28Å; V295-L299 WeakPolarHBondContact O-CG 3.33Å; V295-L299 PolarHBondContact O-N 3.42Å
296	I	93.5	Very high	91.6	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.205	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-42.3	174.3	-67.3	169	0	0	0	111.1	P292 L293 N294 V298 L299 A300 L340	P292-I296 WeakPolarHBondContact O-CG1 3.36Å; P292-I296 PolarHBondContact O-N 3.03Å; P292-I296 VanDerWaalsContact O-N 3.07Å; L293-I296 PolarHBondContact O-N 3.41Å; N294-I296 VanDerWaalsContact C-N 3.34Å; I296-V298 VanDerWaalsContact C-N 3.3Å; I296-V298 PolarHBondContact O-N 3.26Å; I296-L299 PolarHBondContact O-N 3.34Å; I296-A300 WeakPolarHBondContact O-CB 3.22Å; I296-A300 PolarHBondContact O-N 3.04Å; I296-L340 HydrophobicContact CG2-CB 3.74Å
297	D	94.2	Very high	91.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.011	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-39.2	176.3	-72.6	-21.3	0	0	0	112.2	Y275 R278 L293 N294 V295 A300 K341 R344	Y275-D297 HydrophobicContact CD2-CB 3.72Å; Y275-D297 HydrophobicContact CE2-CB 4.36Å; R278-D297 IonicContact NH1-OD2 3.1Å; L293-D297 PolarHBondContact O-N 3.46Å; N294-D297 PolarHBondContact O-N 3.28Å; V295-D297 VanDerWaalsContact C-N 3.3Å; V295-D297 PolarHBondContact O-N 2.94Å; D297-A300 PolarHBondContact O-N 3.49Å; D297-K341 VanDerWaalsContact OD1-CE 3.29Å; D297-K341 WeakPolarHBondContact OD1-CE 3.3Å; D297-K341 WeakPolarHBondContact OD1-CG 3.25Å; D297-R344 IonicContact OD2-CZ 3.94Å; D297-R344 IonicContact OD2-NE 3.65Å; D297-R344 PolarHBondContact OD2-NE 2.86Å; D297-R344 IonicContact OD2-NH2 3.84Å; D297-R344 PolarHBondContact OD2-NH2 2.66Å
298	V	94.5	Very high	91.3	Very high	52 Å²	52	48.2 Å²	48.2	32%	0.315	25%	0.247	S	C	.	.	H	α-helix	trans	-67.7	-47.4	175.5	175	0	0	0	0	111.4	Y275 N294 V295 I296 A300 I301 M302	Y275-V298 HydrophobicContact CD2-CG2 4.26Å; Y275-V298 HydrophobicContact CE1-CG2 4.01Å; Y275-V298 HydrophobicContact CE2-CG2 3.47Å; Y275-V298 VanDerWaalsContact CE2-CG2 3.47Å; Y275-V298 VanDerWaalsContact OH-CG2 3.31Å; Y275-V298 WeakPolarHBondContact OH-CG2 3.32Å; N294-V298 WeakPolarHBondContact O-CG2 3.14Å; N294-V298 PolarHBondContact O-N 3.01Å; V295-V298 PolarHBondContact O-N 3.34Å; V295-V298 VanDerWaalsContact O-N 3.14Å; I296-V298 VanDerWaalsContact C-N 3.3Å; I296-V298 PolarHBondContact O-N 3.26Å; V298-A300 PolarHBondContact O-N 3.4Å; V298-I301 VanDerWaalsContact O-CG1 3.3Å; V298-I301 WeakPolarHBondContact O-CG1 3.41Å; V298-I301 PolarHBondContact O-N 3.49Å; V298-I301 VanDerWaalsContact O-N 3.15Å; V298-M302 WeakPolarHBondContact O-CB 3.44Å; V298-M302 PolarHBondContact O-N 2.82Å
299	L	93.7	Very high	91.1	Very high	57 Å²	57	54 Å²	54	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-26.6	179.1	-65.6	174.3	0	0	0	112.2	V295 I296 M302 P303 M334 L337	V295-L299 HydrophobicContact CG1-CD1 4.04Å; V295-L299 HydrophobicContact CG1-CG 4.28Å; V295-L299 WeakPolarHBondContact O-CG 3.33Å; V295-L299 PolarHBondContact O-N 3.42Å; I296-L299 PolarHBondContact O-N 3.34Å; L299-M302 HydrophobicContact CD2-SD 4.48Å; L299-P303 VanDerWaalsContact O-CD 3.25Å; L299-P303 WeakPolarHBondContact O-CD 3.34Å; L299-M334 HydrophobicContact CB-CE 4.23Å; L299-M334 HydrophobicContact CD2-CE 3.43Å; L299-M334 VanDerWaalsContact CD2-CE 3.43Å; L299-M334 HydrophobicContact CG-CE 4.35Å; L299-L337 HydrophobicContact CB-CD1 4.32Å
300	A	93.5	Very high	90.5	Very high	7 Å²	7	54.6 Å²	54.6	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-72.8	-30.3	177.1	0	0	0	0	0	113.9	I296 D297 V298 R338	I296-A300 WeakPolarHBondContact O-CB 3.22Å; I296-A300 PolarHBondContact O-N 3.04Å; D297-A300 PolarHBondContact O-N 3.49Å; V298-A300 PolarHBondContact O-N 3.4Å; A300-R338 HydrophobicContact CB-CB 3.96Å
301	I	93.8	Very high	89.8	Confident	17 Å²	17	52.3 Å²	52.3	9%	0.087	27%	0.271	C	S	.	.	H	α-helix	trans	-98.7	-24.9	179.9	62.5	174.1	0	0	0	113.2	F271 V298 P303 F304 Y305	F271-I301 HydrophobicContact CB-CG2 3.54Å; V298-I301 VanDerWaalsContact O-CG1 3.3Å; V298-I301 WeakPolarHBondContact O-CG1 3.41Å; V298-I301 PolarHBondContact O-N 3.49Å; V298-I301 VanDerWaalsContact O-N 3.15Å; I301-P303 VanDerWaalsContact C-CD 3.46Å; I301-F304 PolarHBondContact O-N 3.28Å; I301-Y305 HydrophobicContact CB-CD2 4.38Å; I301-Y305 HydrophobicContact CB-CE2 4.17Å; I301-Y305 HydrophobicContact CD1-CE2 4.31Å; I301-Y305 WeakPolarHBondContact O-CD2 3.32Å
302	M	92.7	Very high	88.9	Confident	66 Å²	66	54.6 Å²	54.6	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-51	-45.9	-176	178.6	-163.4	-172.7	0	0	113.7	V298 L299 F304 Y305 V306 F331 M334	V298-M302 WeakPolarHBondContact O-CB 3.44Å; V298-M302 PolarHBondContact O-N 2.82Å; L299-M302 HydrophobicContact CD2-SD 4.48Å; M302-F304 PolarHBondContact O-N 3.42Å; M302-F304 VanDerWaalsContact O-N 3.15Å; M302-Y305 PolarHBondContact O-N 2.91Å; M302-V306 HydrophobicContact CE-CG2 4.05Å; M302-V306 HydrophobicContact CG-CG2 3.76Å; M302-V306 WeakPolarHBondContact O-CB 3.42Å; M302-V306 VanDerWaalsContact O-CG2 3.3Å; M302-V306 WeakPolarHBondContact O-CG2 3.41Å; M302-V306 PolarHBondContact O-N 2.89Å; M302-F331 HydrophobicContact CE-CE1 3.42Å; M302-F331 VanDerWaalsContact CE-CE1 3.42Å; M302-F331 HydrophobicContact CE-CZ 3.61Å; M302-F331 HydrophobicContact CG-CE1 4.18Å; M302-F331 HydrophobicContact SD-CE1 3.73Å; M302-M334 HydrophobicContact SD-CE 3.88Å; M302-M334 HydrophobicContact SD-SD 4.16Å
303	P	91.2	Very high	87.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.013	27%	0.272	C	S	.	.	H	α-helix	trans	-54.1	-38	-177.4	-32.7	39.5	0	0	0	115	L299 I301 S307 F331 M334 R335	L299-P303 VanDerWaalsContact O-CD 3.25Å; L299-P303 WeakPolarHBondContact O-CD 3.34Å; I301-P303 VanDerWaalsContact C-CD 3.46Å; P303-S307 VanDerWaalsContact O-CB 3.31Å; P303-S307 WeakPolarHBondContact O-CB 3.48Å; P303-S307 PolarHBondContact O-N 2.91Å; P303-S307 PolarHBondContact O-OG 3.26Å; P303-F331 HydrophobicContact CB-CB 4.47Å; P303-F331 WeakPolarHBondContact CB-O 3.44Å; P303-M334 HydrophobicContact CG-CB 3.93Å; P303-M334 HydrophobicContact CG-CG 3.95Å; P303-M334 HydrophobicContact CG-SD 3.99Å; P303-R335 HydrophobicContact CB-CG 3.79Å; P303-R335 HydrophobicContact CG-CG 4.37Å
304	F	90.6	Very high	86.2	Confident	30 Å²	30	58.8 Å²	58.8	13%	0.132	30%	0.301	C	S	.	.	H	α-helix	trans	-70.4	-50.4	-178.3	175.6	-98.3	0	0	0	111.7	Y261 V265 I268 I301 M302 V306 S307 L308	Y261-F304 HydrophobicContact CE2-CE2 4.47Å; V265-F304 HydrophobicContact CG2-CE2 3.94Å; V265-F304 HydrophobicContact CG2-CZ 4.13Å; I268-F304 HydrophobicContact CD1-CB 3.53Å; I268-F304 HydrophobicContact CD1-CD1 4.34Å; I268-F304 HydrophobicContact CD1-CD2 3.43Å; I268-F304 VanDerWaalsContact CD1-CD2 3.43Å; I268-F304 HydrophobicContact CD1-CE2 4.2Å; I268-F304 HydrophobicContact CD1-CG 3.52Å; I268-F304 HydrophobicContact CG1-CB 4.37Å; I268-F304 HydrophobicContact CG2-CB 4.15Å; I268-F304 HydrophobicContact CG2-CD1 3.8Å; I268-F304 HydrophobicContact CG2-CE1 4.4Å; I268-F304 HydrophobicContact CG2-CG 4.02Å; I301-F304 PolarHBondContact O-N 3.28Å; M302-F304 PolarHBondContact O-N 3.42Å; M302-F304 VanDerWaalsContact O-N 3.15Å; F304-V306 VanDerWaalsContact C-N 3.31Å; F304-V306 PolarHBondContact O-N 3.02Å; F304-S307 PolarHBondContact O-N 3.45Å; F304-L308 HydrophobicContact CE1-CD2 4.49Å; F304-L308 WeakPolarHBondContact O-CB 3.34Å; F304-L308 PolarHBondContact O-N 3.14Å
305	Y	91.5	Very high	84.2	Confident	89 Å²	89	67.7 Å²	67.7	35%	0.349	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-37.6	179.9	-69.9	-70.8	0	0	0	111.9	I268 T272 I301 M302 L308 L309	I268-Y305 HydrophobicContact CG2-CE2 4.26Å; T272-Y305 WeakPolarHBondContact CB-OH 3.15Å; T272-Y305 VanDerWaalsContact CG2-OH 3.31Å; T272-Y305 WeakPolarHBondContact CG2-OH 3.49Å; T272-Y305 WeakPolarHBondContact OG1-CE2 3.48Å; T272-Y305 PolarHBondContact OG1-OH 3.44Å; I301-Y305 HydrophobicContact CB-CD2 4.38Å; I301-Y305 HydrophobicContact CB-CE2 4.17Å; I301-Y305 HydrophobicContact CD1-CE2 4.31Å; I301-Y305 WeakPolarHBondContact O-CD2 3.32Å; M302-Y305 PolarHBondContact O-N 2.91Å; Y305-L308 PolarHBondContact O-N 2.94Å; Y305-L309 WeakPolarHBondContact O-CB 3.37Å; Y305-L309 VanDerWaalsContact O-CG 3.23Å; Y305-L309 WeakPolarHBondContact O-CG 3.47Å; Y305-L309 PolarHBondContact O-N 3.43Å
306	V	89.7	Confident	82.4	Confident	23 Å²	23	67.6 Å²	67.6	14%	0.139	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-46.3	174	174.9	0	0	0	0	110.8	M302 F304 L308 L309 F310 F331	M302-V306 HydrophobicContact CE-CG2 4.05Å; M302-V306 HydrophobicContact CG-CG2 3.76Å; M302-V306 WeakPolarHBondContact O-CB 3.42Å; M302-V306 VanDerWaalsContact O-CG2 3.3Å; M302-V306 WeakPolarHBondContact O-CG2 3.41Å; M302-V306 PolarHBondContact O-N 2.89Å; F304-V306 VanDerWaalsContact C-N 3.31Å; F304-V306 PolarHBondContact O-N 3.02Å; V306-L308 VanDerWaalsContact C-N 3.3Å; V306-L308 PolarHBondContact O-N 3.47Å; V306-L309 PolarHBondContact O-N 3.32Å; V306-F310 HydrophobicContact CG1-CD2 3.57Å; V306-F310 HydrophobicContact CG1-CE2 3.45Å; V306-F310 VanDerWaalsContact CG1-CE2 3.45Å; V306-F310 WeakPolarHBondContact O-CD2 3.26Å; V306-F310 PolarHBondContact O-N 2.84Å; V306-F331 HydrophobicContact CB-CD1 4.25Å; V306-F331 HydrophobicContact CB-CD2 4.46Å; V306-F331 HydrophobicContact CB-CE1 4.36Å; V306-F331 HydrophobicContact CB-CG 4.32Å; V306-F331 HydrophobicContact CG1-CD1 4.21Å; V306-F331 HydrophobicContact CG1-CD2 3.59Å; V306-F331 HydrophobicContact CG1-CE1 4.23Å; V306-F331 HydrophobicContact CG1-CE2 3.62Å; V306-F331 HydrophobicContact CG1-CG 3.91Å; V306-F331 HydrophobicContact CG1-CZ 3.95Å; V306-F331 HydrophobicContact CG2-CD1 4.45Å; V306-F331 HydrophobicContact CG2-CE1 4.12Å; V306-F331 HydrophobicContact CG2-CZ 4.29Å
307	S	84.8	Confident	80.8	Confident	18 Å²	18	68.8 Å²	68.8	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-40.3	177	-57.5	0	0	0	0	112	P303 F304 F310 N311	P303-S307 VanDerWaalsContact O-CB 3.31Å; P303-S307 WeakPolarHBondContact O-CB 3.48Å; P303-S307 PolarHBondContact O-N 2.91Å; P303-S307 PolarHBondContact O-OG 3.26Å; F304-S307 PolarHBondContact O-N 3.45Å; S307-F310 PolarHBondContact O-N 2.86Å; S307-N311 WeakPolarHBondContact O-CB 3.44Å; S307-N311 PolarHBondContact O-N 3.39Å
308	L	85.7	Confident	79.3	Confident	68 Å²	68	74.7 Å²	74.7	36%	0.356	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-46	177.3	-175.8	65.6	0	0	0	111.5	F304 Y305 V306 F310 N311 E312	F304-L308 HydrophobicContact CE1-CD2 4.49Å; F304-L308 WeakPolarHBondContact O-CB 3.34Å; F304-L308 PolarHBondContact O-N 3.14Å; Y305-L308 PolarHBondContact O-N 2.94Å; V306-L308 VanDerWaalsContact C-N 3.3Å; V306-L308 PolarHBondContact O-N 3.47Å; L308-F310 VanDerWaalsContact C-N 3.34Å; L308-F310 PolarHBondContact O-N 3.02Å; L308-N311 PolarHBondContact O-N 2.93Å; L308-E312 HydrophobicContact CD1-CG 4.27Å; L308-E312 WeakPolarHBondContact O-CG 3.22Å; L308-E312 PolarHBondContact O-N 3.47Å
309	L	85.6	Confident	78	Confident	125 Å²	125	80.4 Å²	80.4	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-60.6	-41.1	177.7	-72.8	168.9	0	0	0	112.4	Y305 V306 S313	Y305-L309 WeakPolarHBondContact O-CB 3.37Å; Y305-L309 VanDerWaalsContact O-CG 3.23Å; Y305-L309 WeakPolarHBondContact O-CG 3.47Å; Y305-L309 PolarHBondContact O-N 3.43Å; V306-L309 PolarHBondContact O-N 3.32Å; L309-S313 WeakPolarHBondContact O-CB 3.26Å; L309-S313 PolarHBondContact O-N 3.08Å; L309-S313 PolarHBondContact O-OG 2.88Å
310	F	80.5	Confident	76.8	Confident	78 Å²	78	82.5 Å²	82.5	34%	0.342	42%	0.42	S	S	.	.	H	α-helix	trans	-71.5	-29.3	177.1	-81.4	-69.4	0	0	0	113.4	V306 S307 L308 S313 A324 V327 V328	V306-F310 HydrophobicContact CG1-CD2 3.57Å; V306-F310 HydrophobicContact CG1-CE2 3.45Å; V306-F310 VanDerWaalsContact CG1-CE2 3.45Å; V306-F310 WeakPolarHBondContact O-CD2 3.26Å; V306-F310 PolarHBondContact O-N 2.84Å; S307-F310 PolarHBondContact O-N 2.86Å; L308-F310 VanDerWaalsContact C-N 3.34Å; L308-F310 PolarHBondContact O-N 3.02Å; F310-S313 WeakPolarHBondContact CA-OG 3.34Å; F310-S313 PolarHBondContact O-OG 2.99Å; F310-A324 HydrophobicContact CD1-CB 4.02Å; F310-A324 HydrophobicContact CE1-CB 4.35Å; F310-V327 HydrophobicContact CE2-CG1 3.77Å; F310-V327 HydrophobicContact CZ-CG1 3.91Å; F310-V328 HydrophobicContact CB-CG2 3.89Å; F310-V328 HydrophobicContact CD2-CG2 4.29Å; F310-V328 HydrophobicContact CG-CG2 4.2Å
311	N	74.3	Confident	75.8	Confident	127 Å²	127	86.6 Å²	86.6	68%	0.679	44%	0.44	S	S	*	.	H	α-helix	trans	-78	-36	179.1	-158.7	53.7	0	0	0	112.2	S307 L308	S307-N311 WeakPolarHBondContact O-CB 3.44Å; S307-N311 PolarHBondContact O-N 3.39Å; L308-N311 PolarHBondContact O-N 2.93Å
312	E	71	Confident	74.9	Confident	135 Å²	135	90.8 Å²	90.8	63%	0.631	46%	0.459	S	S	*	.	H	α-helix	trans	-80.2	-18.9	178.3	-67.6	-64.6	151.1	0	0	113.2	L308 H314	L308-E312 HydrophobicContact CD1-CG 4.27Å; L308-E312 WeakPolarHBondContact O-CG 3.22Å; L308-E312 PolarHBondContact O-N 3.47Å; E312-H314 PolarHBondContact O-N 2.92Å
313	S	66	Low	74.2	Confident	50 Å²	50	91.4 Å²	91.4	35%	0.35	46%	0.464	S	S	.	.			trans	-72.6	70.9	176	59.2	0	0	0	0	111.5	L309 F310 M315 M316	L309-S313 WeakPolarHBondContact O-CB 3.26Å; L309-S313 PolarHBondContact O-N 3.08Å; L309-S313 PolarHBondContact O-OG 2.88Å; F310-S313 WeakPolarHBondContact CA-OG 3.34Å; F310-S313 PolarHBondContact O-OG 2.99Å; S313-M315 PolarHBondContact O-N 2.8Å; S313-M316 PolarHBondContact O-N 3.44Å
314	H	56.1	Low	73.5	Confident	185 Å²	185	92 Å²	92	86%	0.856	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	2.2	172.7	-119.9	-82.4	0	0	0	113.9	E312	E312-H314 PolarHBondContact O-N 2.92Å
315	M	51.8	Low	72.9	Confident	188 Å²	188	97.5 Å²	97.5	93%	0.926	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	3.6	-178.5	-72	-163	80.3	0	0	114.4	S313 S317	S313-M315 PolarHBondContact O-N 2.8Å; M315-S317 PolarHBondContact O-N 3.23Å
316	M	57.2	Low	72.5	Confident	60 Å²	60	99.7 Å²	99.7	30%	0.296	50%	0.496	S	S	.	.			trans	-80.4	120.8	-178.9	-127.6	-176.2	49	0	0	110.6	S313 H320 I321 A324	S313-M316 PolarHBondContact O-N 3.44Å; M316-H320 HydrophobicContact CE-CB 3.56Å; M316-H320 WeakPolarHBondContact CE-O 3.29Å; M316-H320 HydrophobicContact CG-CB 3.7Å; M316-H320 HydrophobicContact SD-CB 3.81Å; M316-I321 VanDerWaalsContact CE-CA 3.5Å; M316-I321 HydrophobicContact CE-CG1 4.31Å; M316-A324 HydrophobicContact CE-CB 3.3Å; M316-A324 HydrophobicContact SD-CB 3.86Å
317	S	59.2	Low	72.2	Confident	65 Å²	65	101.3 Å²	101.3	46%	0.455	51%	0.506	S	S	.	.			trans	-58.2	151.4	176.3	49.5	0	0	0	0	111.8	M315 E319 H320 I321	M315-S317 PolarHBondContact O-N 3.23Å; S317-E319 PolarHBondContact O-N 3.02Å; S317-H320 PolarHBondContact O-N 3.38Å; S317-H320 PolarHBondContact OG-CD2 3.22Å; S317-I321 PolarHBondContact O-N 2.78Å
318	T	63	Low	72	Confident	126 Å²	126	102.1 Å²	102.1	77%	0.773	51%	0.51	S	S	*	.	H	α-helix	trans	-52.2	-31.3	-172.1	-39.9	0	0	0	0	114	I321	T318-I321 HydrophobicContact CG2-CD1 4.4Å; T318-I321 PolarHBondContact O-N 3.46Å
319	E	66.6	Low	71.9	Confident	172 Å²	172	103.6 Å²	103.6	80%	0.804	52%	0.515	S	S	*	.	H	α-helix	trans	-70.7	-34.2	176.8	-65.5	-139.4	138.1	0	0	113.5	S317 I321	S317-E319 PolarHBondContact O-N 3.02Å; E319-I321 VanDerWaalsContact C-N 3.3Å; E319-I321 PolarHBondContact O-N 2.97Å
320	H	69.2	Low	72	Confident	102 Å²	102	102.3 Å²	102.3	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-75.9	-20.2	179.2	-66.9	-45.8	0	0	0	112.5	M316 S317 H322 D323 A324	M316-H320 HydrophobicContact CE-CB 3.56Å; M316-H320 WeakPolarHBondContact CE-O 3.29Å; M316-H320 HydrophobicContact CG-CB 3.7Å; M316-H320 HydrophobicContact SD-CB 3.81Å; S317-H320 PolarHBondContact O-N 3.38Å; S317-H320 PolarHBondContact OG-CD2 3.22Å; H320-H322 PolarHBondContact O-N 3.18Å; H320-D323 PolarHBondContact O-N 3.4Å; H320-D323 VanDerWaalsContact O-N 3.1Å; H320-A324 PolarHBondContact O-N 3.41Å
321	I	71.6	Confident	72.4	Confident	93 Å²	93	100.2 Å²	100.2	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-56.2	-40.2	-177.3	-62.6	-180	0	0	0	111.2	M316 S317 T318 E319 A324 R325	M316-I321 VanDerWaalsContact CE-CA 3.5Å; M316-I321 HydrophobicContact CE-CG1 4.31Å; S317-I321 PolarHBondContact O-N 2.78Å; T318-I321 HydrophobicContact CG2-CD1 4.4Å; T318-I321 PolarHBondContact O-N 3.46Å; E319-I321 VanDerWaalsContact C-N 3.3Å; E319-I321 PolarHBondContact O-N 2.97Å; I321-A324 PolarHBondContact O-N 3.28Å; I321-R325 WeakPolarHBondContact O-CB 3.23Å; I321-R325 PolarHBondContact O-N 2.98Å
322	H	75.5	Confident	72.9	Confident	105 Å²	105	100 Å²	100	49%	0.486	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-41.9	179.6	-170.4	-83.4	0	0	0	112.2	H320 R325 R326	H320-H322 PolarHBondContact O-N 3.18Å; H322-R325 PolarHBondContact O-N 2.83Å; H322-R326 PolarHBondContact CE1-NE 2.94Å; H322-R326 PolarHBondContact CE1-NH2 3.33Å; H322-R326 PolarHBondContact O-N 2.95Å
323	D	78.4	Confident	73.6	Confident	79 Å²	79	99.6 Å²	99.6	42%	0.422	49%	0.493	S	S	.	.	H	α-helix	trans	-71.6	-38.3	178.4	-72.3	-27.4	0	0	0	112	H320 R325 R326 V327	H320-D323 PolarHBondContact O-N 3.4Å; H320-D323 VanDerWaalsContact O-N 3.1Å; D323-R325 VanDerWaalsContact C-N 3.32Å; D323-R325 PolarHBondContact O-N 2.99Å; D323-R326 PolarHBondContact O-N 2.95Å; D323-R326 IonicContact OD1-CZ 3.41Å; D323-R326 IonicContact OD1-NH1 3.73Å; D323-R326 PolarHBondContact OD1-NH1 2.96Å; D323-V327 WeakPolarHBondContact O-CG2 3.41Å; D323-V327 PolarHBondContact O-N 3.4Å
324	A	76.3	Confident	74.8	Confident	14 Å²	14	99.1 Å²	99.1	12%	0.116	49%	0.486	C	S	.	.	H	α-helix	trans	-63.2	-37.6	171.9	0	0	0	0	0	112.1	F310 M316 H320 I321 R326 V327 V328	F310-A324 HydrophobicContact CD1-CB 4.02Å; F310-A324 HydrophobicContact CE1-CB 4.35Å; M316-A324 HydrophobicContact CE-CB 3.3Å; M316-A324 HydrophobicContact SD-CB 3.86Å; H320-A324 PolarHBondContact O-N 3.41Å; I321-A324 PolarHBondContact O-N 3.28Å; A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.29Å; A324-V327 PolarHBondContact O-N 3.38Å; A324-V328 WeakPolarHBondContact O-CB 3.48Å; A324-V328 VanDerWaalsContact O-CG2 3.27Å; A324-V328 WeakPolarHBondContact O-CG2 3Å; A324-V328 PolarHBondContact O-N 3.39Å
325	R	77.7	Confident	76.5	Confident	145 Å²	145	91.6 Å²	91.6	55%	0.547	45%	0.45	S	S	.	.	H	α-helix	trans	-59.4	-44.1	175.1	-170.4	179.8	-172.8	176.5	9.5	111.4	E253 I321 H322 D323 V328 Q329	E253-R325 IonicContact OE1-NH2 3.7Å; I321-R325 WeakPolarHBondContact O-CB 3.23Å; I321-R325 PolarHBondContact O-N 2.98Å; H322-R325 PolarHBondContact O-N 2.83Å; D323-R325 VanDerWaalsContact C-N 3.32Å; D323-R325 PolarHBondContact O-N 2.99Å; R325-V328 PolarHBondContact O-N 3.37Å; R325-Q329 VanDerWaalsContact O-CG 3.27Å; R325-Q329 WeakPolarHBondContact O-CG 3.42Å; R325-Q329 PolarHBondContact O-N 2.84Å
326	R	82.5	Confident	78.3	Confident	136 Å²	136	86.2 Å²	86.2	51%	0.513	43%	0.428	S	S	.	.	H	α-helix	trans	-61.4	-44.8	174.6	-69.3	176.6	176.7	148.8	-6.2	111.6	H322 D323 A324 Q329 V330	H322-R326 PolarHBondContact CE1-NE 2.94Å; H322-R326 PolarHBondContact CE1-NH2 3.33Å; H322-R326 PolarHBondContact O-N 2.95Å; D323-R326 PolarHBondContact O-N 2.95Å; D323-R326 IonicContact OD1-CZ 3.41Å; D323-R326 IonicContact OD1-NH1 3.73Å; D323-R326 PolarHBondContact OD1-NH1 2.96Å; A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.29Å; R326-Q329 WeakPolarHBondContact O-CB 3.32Å; R326-Q329 PolarHBondContact O-N 2.99Å; R326-V330 WeakPolarHBondContact O-CG2 3.47Å; R326-V330 PolarHBondContact O-N 2.73Å; R326-V330 VanDerWaalsContact O-N 3.09Å
327	V	83.5	Confident	80	Confident	56 Å²	56	86.1 Å²	86.1	34%	0.339	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-47	178.6	172.7	0	0	0	0	111	F310 D323 A324 Q329 V330 F331	F310-V327 HydrophobicContact CE2-CG1 3.77Å; F310-V327 HydrophobicContact CZ-CG1 3.91Å; D323-V327 WeakPolarHBondContact O-CG2 3.41Å; D323-V327 PolarHBondContact O-N 3.4Å; A324-V327 PolarHBondContact O-N 3.38Å; V327-Q329 VanDerWaalsContact C-N 3.29Å; V327-Q329 PolarHBondContact O-N 2.67Å; V327-V330 PolarHBondContact O-N 2.73Å; V327-V330 VanDerWaalsContact O-N 3.14Å; V327-F331 HydrophobicContact CG1-CD2 3.75Å; V327-F331 HydrophobicContact CG1-CE2 3.7Å; V327-F331 VanDerWaalsContact O-CD2 3.29Å; V327-F331 WeakPolarHBondContact O-CD2 3.43Å; V327-F331 PolarHBondContact O-N 3.47Å
328	V	81.5	Confident	81.6	Confident	35 Å²	35	83.2 Å²	83.2	21%	0.212	41%	0.407	C	S	.	.	H	α-helix	trans	-60.2	-37.8	176.5	171.3	0	0	0	0	111.4	F310 A324 R325 F331 R332	F310-V328 HydrophobicContact CB-CG2 3.89Å; F310-V328 HydrophobicContact CD2-CG2 4.29Å; F310-V328 HydrophobicContact CG-CG2 4.2Å; A324-V328 WeakPolarHBondContact O-CB 3.48Å; A324-V328 VanDerWaalsContact O-CG2 3.27Å; A324-V328 WeakPolarHBondContact O-CG2 3Å; A324-V328 PolarHBondContact O-N 3.39Å; R325-V328 PolarHBondContact O-N 3.37Å; V328-F331 PolarHBondContact O-N 2.94Å; V328-R332 WeakPolarHBondContact O-CB 3.28Å; V328-R332 PolarHBondContact O-N 2.85Å
329	Q	83.8	Confident	83	Confident	100 Å²	100	80.6 Å²	80.6	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-44.1	174	-75.5	171.6	-7.3	0	0	112.4	R325 R326 V327 F331 R332 I333	R325-Q329 VanDerWaalsContact O-CG 3.27Å; R325-Q329 WeakPolarHBondContact O-CG 3.42Å; R325-Q329 PolarHBondContact O-N 2.84Å; R326-Q329 WeakPolarHBondContact O-CB 3.32Å; R326-Q329 PolarHBondContact O-N 2.99Å; V327-Q329 VanDerWaalsContact C-N 3.29Å; V327-Q329 PolarHBondContact O-N 2.67Å; Q329-F331 PolarHBondContact O-N 3.37Å; Q329-R332 WeakPolarHBondContact O-CB 3.43Å; Q329-R332 PolarHBondContact O-N 3.3Å; Q329-I333 PolarHBondContact O-N 2.96Å; Q329-I333 VanDerWaalsContact O-N 3.16Å
330	V	86.8	Confident	84.2	Confident	97 Å²	97	76.2 Å²	76.2	59%	0.588	37%	0.369	S	S	*	.	H	α-helix	trans	-61.6	-45.2	176.2	174.3	0	0	0	0	110.8	R326 V327 R332 I333 M334	R326-V330 WeakPolarHBondContact O-CG2 3.47Å; R326-V330 PolarHBondContact O-N 2.73Å; R326-V330 VanDerWaalsContact O-N 3.09Å; V327-V330 PolarHBondContact O-N 2.73Å; V327-V330 VanDerWaalsContact O-N 3.14Å; V330-R332 VanDerWaalsContact C-N 3.3Å; V330-R332 PolarHBondContact O-N 2.74Å; V330-I333 PolarHBondContact O-N 3.22Å; V330-M334 PolarHBondContact O-N 3.43Å
331	F	87.7	Confident	85.3	Confident	34 Å²	34	71.5 Å²	71.5	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-33.5	175.6	-81.3	-72.8	0	0	0	112.6	M302 P303 V306 V327 V328 Q329 I333 M334 R335	M302-F331 HydrophobicContact CE-CE1 3.42Å; M302-F331 VanDerWaalsContact CE-CE1 3.42Å; M302-F331 HydrophobicContact CE-CZ 3.61Å; M302-F331 HydrophobicContact CG-CE1 4.18Å; M302-F331 HydrophobicContact SD-CE1 3.73Å; P303-F331 HydrophobicContact CB-CB 4.47Å; P303-F331 WeakPolarHBondContact CB-O 3.44Å; V306-F331 HydrophobicContact CB-CD1 4.25Å; V306-F331 HydrophobicContact CB-CD2 4.46Å; V306-F331 HydrophobicContact CB-CE1 4.36Å; V306-F331 HydrophobicContact CB-CG 4.32Å; V306-F331 HydrophobicContact CG1-CD1 4.21Å; V306-F331 HydrophobicContact CG1-CD2 3.59Å; V306-F331 HydrophobicContact CG1-CE1 4.23Å; V306-F331 HydrophobicContact CG1-CE2 3.62Å; V306-F331 HydrophobicContact CG1-CG 3.91Å; V306-F331 HydrophobicContact CG1-CZ 3.95Å; V306-F331 HydrophobicContact CG2-CD1 4.45Å; V306-F331 HydrophobicContact CG2-CE1 4.12Å; V306-F331 HydrophobicContact CG2-CZ 4.29Å; V327-F331 HydrophobicContact CG1-CD2 3.75Å; V327-F331 HydrophobicContact CG1-CE2 3.7Å; V327-F331 VanDerWaalsContact O-CD2 3.29Å; V327-F331 WeakPolarHBondContact O-CD2 3.43Å; V327-F331 PolarHBondContact O-N 3.47Å; V328-F331 PolarHBondContact O-N 2.94Å; Q329-F331 PolarHBondContact O-N 3.37Å; F331-I333 VanDerWaalsContact C-N 3.32Å; F331-I333 PolarHBondContact O-N 3.47Å; F331-M334 HydrophobicContact CD1-SD 3.61Å; F331-M334 HydrophobicContact CE1-SD 3.65Å; F331-M334 VanDerWaalsContact O-CB 3.32Å; F331-M334 WeakPolarHBondContact O-CB 3.28Å; F331-M334 PolarHBondContact O-N 3.31Å; F331-R335 PolarHBondContact O-N 2.98Å
332	R	84.8	Confident	86.2	Confident	123 Å²	123	69.2 Å²	69.2	46%	0.464	34%	0.336	S	S	.	.	H	α-helix	trans	-60	-41.5	173.7	-168.7	-177.4	-69.1	-160.7	-3.8	111.6	V328 Q329 V330 R335	V328-R332 WeakPolarHBondContact O-CB 3.28Å; V328-R332 PolarHBondContact O-N 2.85Å; Q329-R332 WeakPolarHBondContact O-CB 3.43Å; Q329-R332 PolarHBondContact O-N 3.3Å; V330-R332 VanDerWaalsContact C-N 3.3Å; V330-R332 PolarHBondContact O-N 2.74Å; R332-R335 VanDerWaalsContact O-CB 3.28Å; R332-R335 WeakPolarHBondContact O-CB 3.25Å; R332-R335 VanDerWaalsContact O-CG 3.27Å; R332-R335 WeakPolarHBondContact O-CG 3.46Å; R332-R335 PolarHBondContact O-N 3.41Å
333	I	87.3	Confident	86.9	Confident	126 Å²	126	64.7 Å²	64.7	65%	0.646	32%	0.316	S	S	*	.	H	α-helix	trans	-68.4	-38.8	175.2	-61.2	168.2	0	0	0	110.8	Q329 V330 F331 R335 V336	Q329-I333 PolarHBondContact O-N 2.96Å; Q329-I333 VanDerWaalsContact O-N 3.16Å; V330-I333 PolarHBondContact O-N 3.22Å; F331-I333 VanDerWaalsContact C-N 3.32Å; F331-I333 PolarHBondContact O-N 3.47Å; I333-R335 PolarHBondContact O-N 2.97Å; I333-V336 WeakPolarHBondContact O-CB 3.3Å; I333-V336 VanDerWaalsContact O-CG2 3.32Å; I333-V336 WeakPolarHBondContact O-CG2 3.49Å; I333-V336 PolarHBondContact O-N 3.28Å
334	M	90.4	Very high	87.4	Confident	41 Å²	41	62 Å²	62	20%	0.202	30%	0.3	C	S	.	.	H	α-helix	trans	-57.4	-20.9	177.6	-166.4	-172.1	-169.5	0	0	113.1	L299 M302 P303 V330 F331 V336 L337	L299-M334 HydrophobicContact CB-CE 4.23Å; L299-M334 HydrophobicContact CD2-CE 3.43Å; L299-M334 VanDerWaalsContact CD2-CE 3.43Å; L299-M334 HydrophobicContact CG-CE 4.35Å; M302-M334 HydrophobicContact SD-CE 3.88Å; M302-M334 HydrophobicContact SD-SD 4.16Å; P303-M334 HydrophobicContact CG-CB 3.93Å; P303-M334 HydrophobicContact CG-CG 3.95Å; P303-M334 HydrophobicContact CG-SD 3.99Å; V330-M334 PolarHBondContact O-N 3.43Å; F331-M334 HydrophobicContact CD1-SD 3.61Å; F331-M334 HydrophobicContact CE1-SD 3.65Å; F331-M334 VanDerWaalsContact O-CB 3.32Å; F331-M334 WeakPolarHBondContact O-CB 3.28Å; F331-M334 PolarHBondContact O-N 3.31Å; M334-V336 PolarHBondContact O-N 2.93Å; M334-L337 HydrophobicContact CE-CD1 3.69Å; M334-L337 HydrophobicContact CG-CD1 3.42Å; M334-L337 VanDerWaalsContact CG-CD1 3.42Å; M334-L337 HydrophobicContact CG-CG 4.03Å; M334-L337 VanDerWaalsContact O-CB 3.23Å; M334-L337 WeakPolarHBondContact O-CB 3.27Å; M334-L337 VanDerWaalsContact O-CG 3.31Å; M334-L337 WeakPolarHBondContact O-CG 3.47Å; M334-L337 PolarHBondContact O-N 3.43Å; M334-L337 HydrophobicContact SD-CD1 4.43Å
335	R	90.9	Very high	87.8	Confident	27 Å²	27	63.7 Å²	63.7	10%	0.102	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-54.3	-24.6	171.5	-62.6	179.5	-174.7	-178	10.4	113	L236 E264 P303 F331 R332 I333 L337 R338	L236-R335 HydrophobicContact CD1-CB 4.36Å; E264-R335 VanDerWaalsContact CD-NH1 3.3Å; E264-R335 VanDerWaalsContact OE1-CD 3.3Å; E264-R335 WeakPolarHBondContact OE1-CD 3.49Å; E264-R335 IonicContact OE1-CZ 3.99Å; E264-R335 IonicContact OE1-NE 3.12Å; E264-R335 PolarHBondContact OE1-NE 3.39Å; E264-R335 IonicContact OE1-NH1 3.44Å; E264-R335 PolarHBondContact OE1-NH1 2.94Å; E264-R335 VanDerWaalsContact OE1-NH1 3.1Å; E264-R335 IonicContact OE2-CZ 2.7Å; E264-R335 IonicContact OE2-NH1 3.81Å; E264-R335 PolarHBondContact OE2-NH1 3.46Å; P303-R335 HydrophobicContact CB-CG 3.79Å; P303-R335 HydrophobicContact CG-CG 4.37Å; F331-R335 PolarHBondContact O-N 2.98Å; R332-R335 VanDerWaalsContact O-CB 3.28Å; R332-R335 WeakPolarHBondContact O-CB 3.25Å; R332-R335 VanDerWaalsContact O-CG 3.27Å; R332-R335 WeakPolarHBondContact O-CG 3.46Å; R332-R335 PolarHBondContact O-N 3.41Å; I333-R335 PolarHBondContact O-N 2.97Å; R335-L337 PolarHBondContact O-N 2.93Å; R335-R338 WeakPolarHBondContact O-CD 3.36Å; R335-R338 WeakPolarHBondContact O-CG 3.31Å; R335-R338 PolarHBondContact O-N 3.04Å; R335-R338 PolarHBondContact O-NE 2.94Å
336	V	91	Very high	88.2	Confident	74 Å²	74	59.2 Å²	59.2	45%	0.448	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.8	-30	173.8	178	0	0	0	0	111.9	L236 I333 M334 R338 I339	L236-V336 HydrophobicContact CD2-CB 4.36Å; L236-V336 HydrophobicContact CD2-CG2 3.68Å; I333-V336 WeakPolarHBondContact O-CB 3.3Å; I333-V336 VanDerWaalsContact O-CG2 3.32Å; I333-V336 WeakPolarHBondContact O-CG2 3.49Å; I333-V336 PolarHBondContact O-N 3.28Å; M334-V336 PolarHBondContact O-N 2.93Å; V336-R338 PolarHBondContact O-N 3.43Å; V336-I339 HydrophobicContact CG1-CD1 4.14Å; V336-I339 WeakPolarHBondContact O-CB 3.4Å; V336-I339 WeakPolarHBondContact O-CG1 3.28Å; V336-I339 PolarHBondContact O-N 3.13Å; V336-I339 VanDerWaalsContact O-N 3.07Å
337	L	91.6	Very high	88.1	Confident	58 Å²	58	55.4 Å²	55.4	30%	0.304	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.9	-179.7	-62.6	-176.1	0	0	0	113.3	L299 M334 R335 I339 L340	L299-L337 HydrophobicContact CB-CD1 4.32Å; M334-L337 HydrophobicContact CE-CD1 3.69Å; M334-L337 HydrophobicContact CG-CD1 3.42Å; M334-L337 VanDerWaalsContact CG-CD1 3.42Å; M334-L337 HydrophobicContact CG-CG 4.03Å; M334-L337 VanDerWaalsContact O-CB 3.23Å; M334-L337 WeakPolarHBondContact O-CB 3.27Å; M334-L337 VanDerWaalsContact O-CG 3.31Å; M334-L337 WeakPolarHBondContact O-CG 3.47Å; M334-L337 PolarHBondContact O-N 3.43Å; M334-L337 HydrophobicContact SD-CD1 4.43Å; R335-L337 PolarHBondContact O-N 2.93Å; L337-I339 PolarHBondContact O-N 3.35Å; L337-I339 VanDerWaalsContact O-N 3.13Å; L337-L340 HydrophobicContact CB-CD1 4.49Å; L337-L340 HydrophobicContact CD2-CD1 3.89Å; L337-L340 WeakPolarHBondContact O-CB 2.88Å; L337-L340 WeakPolarHBondContact O-CG 3.27Å; L337-L340 PolarHBondContact O-N 2.87Å
338	R	92.9	Very high	88.1	Confident	5 Å²	5	53.8 Å²	53.8	2%	0.019	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.3	175.3	75.6	-168.9	140.4	-169.5	-5.4	113.3	E264 A300 R335 V336 L340 K341	E264-R338 IonicContact OE1-NH1 3.58Å; E264-R338 PolarHBondContact OE1-NH1 2.88Å; E264-R338 IonicContact OE1-NH2 3.1Å; A300-R338 HydrophobicContact CB-CB 3.96Å; R335-R338 WeakPolarHBondContact O-CD 3.36Å; R335-R338 WeakPolarHBondContact O-CG 3.31Å; R335-R338 PolarHBondContact O-N 3.04Å; R335-R338 PolarHBondContact O-NE 2.94Å; V336-R338 PolarHBondContact O-N 3.43Å; R338-L340 PolarHBondContact O-N 3.42Å; R338-K341 WeakPolarHBondContact O-CB 3.17Å; R338-K341 PolarHBondContact O-N 2.96Å; R338-K341 VanDerWaalsContact O-N 3.11Å
339	I	92.3	Very high	88.3	Confident	70 Å²	70	55 Å²	55	36%	0.359	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-61.7	-31.8	173.3	-61.5	172.6	0	0	0	110.7	A233 V336 L337 K341 L342	A233-I339 HydrophobicContact CB-CG1 4.2Å; V336-I339 HydrophobicContact CG1-CD1 4.14Å; V336-I339 WeakPolarHBondContact O-CB 3.4Å; V336-I339 WeakPolarHBondContact O-CG1 3.28Å; V336-I339 PolarHBondContact O-N 3.13Å; V336-I339 VanDerWaalsContact O-N 3.07Å; L337-I339 PolarHBondContact O-N 3.35Å; L337-I339 VanDerWaalsContact O-N 3.13Å; I339-K341 PolarHBondContact O-N 2.83Å; I339-K341 VanDerWaalsContact O-N 3.15Å; I339-L342 HydrophobicContact CG2-CD1 4Å; I339-L342 VanDerWaalsContact O-CB 3.24Å; I339-L342 WeakPolarHBondContact O-CB 3.33Å; I339-L342 WeakPolarHBondContact O-CG 3.47Å; I339-L342 PolarHBondContact O-N 3.39Å; I339-L342 VanDerWaalsContact O-N 3.09Å
340	L	92.1	Very high	88.4	Confident	80 Å²	80	52.1 Å²	52.1	42%	0.419	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-64.8	-18.6	177.7	-58.5	178	0	0	0	112.8	I296 L337 R338 L342 A343	I296-L340 HydrophobicContact CG2-CB 3.74Å; L337-L340 HydrophobicContact CB-CD1 4.49Å; L337-L340 HydrophobicContact CD2-CD1 3.89Å; L337-L340 WeakPolarHBondContact O-CB 2.88Å; L337-L340 WeakPolarHBondContact O-CG 3.27Å; L337-L340 PolarHBondContact O-N 2.87Å; R338-L340 PolarHBondContact O-N 3.42Å; L340-L342 PolarHBondContact O-N 3.05Å; L340-L342 VanDerWaalsContact O-N 3.14Å; L340-A343 WeakPolarHBondContact O-CB 3.39Å; L340-A343 PolarHBondContact O-N 3.04Å
341	K	93	Very high	88.1	Confident	3 Å²	3	47.8 Å²	47.8	1%	0.013	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.1	-22.7	173.7	-165.2	169.6	177.5	177.6	0	112.4	I229 F271 E274 D297 R338 I339 A343 R344	I229-K341 HydrophobicContact CD1-CB 3.83Å; I229-K341 HydrophobicContact CD1-CD 4.13Å; I229-K341 HydrophobicContact CD1-CG 3.77Å; I229-K341 HydrophobicContact CG1-CB 4.22Å; I229-K341 HydrophobicContact CG1-CD 4.25Å; I229-K341 HydrophobicContact CG1-CG 4.33Å; F271-K341 HydrophobicContact CD1-CD 4.23Å; F271-K341 HydrophobicContact CE1-CD 4.35Å; E274-K341 WeakPolarHBondContact OE1-CE 3.27Å; E274-K341 IonicContact OE1-NZ 2.84Å; E274-K341 WeakPolarHBondContact OE2-CE 2.96Å; E274-K341 IonicContact OE2-NZ 3.41Å; E274-K341 PolarHBondContact OE2-NZ 2.92Å; D297-K341 VanDerWaalsContact OD1-CE 3.29Å; D297-K341 WeakPolarHBondContact OD1-CE 3.3Å; D297-K341 WeakPolarHBondContact OD1-CG 3.25Å; R338-K341 WeakPolarHBondContact O-CB 3.17Å; R338-K341 PolarHBondContact O-N 2.96Å; R338-K341 VanDerWaalsContact O-N 3.11Å; I339-K341 PolarHBondContact O-N 2.83Å; I339-K341 VanDerWaalsContact O-N 3.15Å; K341-A343 PolarHBondContact O-N 2.89Å; K341-A343 VanDerWaalsContact O-N 3.1Å; K341-R344 PolarHBondContact O-N 3.23Å; K341-R344 VanDerWaalsContact O-N 3.13Å
342	L	91.1	Very high	88.1	Confident	46 Å²	46	49.7 Å²	49.7	24%	0.241	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-54.9	-25.6	169.4	-67.3	176.7	0	0	0	112.9	M226 I229 I339 L340 R344 H345 S346	M226-L342 HydrophobicContact CE-CD2 3.67Å; M226-L342 HydrophobicContact SD-CD2 3.1Å; M226-L342 WeakPolarHBondContact SD-CD2 3.16Å; I229-L342 HydrophobicContact CB-CD2 4.24Å; I229-L342 HydrophobicContact CD1-CD2 4.23Å; I229-L342 HydrophobicContact CG2-CD2 3.76Å; I229-L342 HydrophobicContact CG2-CG 3.81Å; I339-L342 HydrophobicContact CG2-CD1 4Å; I339-L342 VanDerWaalsContact O-CB 3.24Å; I339-L342 WeakPolarHBondContact O-CB 3.33Å; I339-L342 WeakPolarHBondContact O-CG 3.47Å; I339-L342 PolarHBondContact O-N 3.39Å; I339-L342 VanDerWaalsContact O-N 3.09Å; L340-L342 PolarHBondContact O-N 3.05Å; L340-L342 VanDerWaalsContact O-N 3.14Å; L342-R344 PolarHBondContact O-N 3.46Å; L342-H345 CarbonylContact O-C 3.54Å; L342-H345 PolarHBondContact O-N 3.36Å; L342-S346 WeakPolarHBondContact O-CB 3.45Å; L342-S346 PolarHBondContact O-N 3.42Å
343	A	89.6	Confident	88.1	Confident	9 Å²	9	45.7 Å²	45.7	7%	0.074	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-56	-36.6	177.7	0	0	0	0	0	111.9	L293 L340 K341 H345 S346 L349 Q350	L293-A343 HydrophobicContact CD2-CB 4.13Å; L340-A343 WeakPolarHBondContact O-CB 3.39Å; L340-A343 PolarHBondContact O-N 3.04Å; K341-A343 PolarHBondContact O-N 2.89Å; K341-A343 VanDerWaalsContact O-N 3.1Å; A343-H345 PolarHBondContact O-N 3.44Å; A343-S346 PolarHBondContact O-N 3.47Å; A343-L349 HydrophobicContact CB-CB 4.35Å; A343-L349 HydrophobicContact CB-CD2 3.72Å; A343-L349 HydrophobicContact CB-CG 3.83Å; A343-Q350 WeakPolarHBondContact O-CG 3.48Å; A343-Q350 PolarHBondContact O-NE2 3.09Å
344	R	87.9	Confident	87.9	Confident	23 Å²	23	45 Å²	45	9%	0.087	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.7	-30.1	177.2	-177.9	174.7	-66.4	-77.4	6.3	113.1	E210 N294 D297 K341 L342 Q350	E210-R344 IonicContact OE1-NH1 2.81Å; E210-R344 PolarHBondContact OE1-NH1 3.31Å; E210-R344 IonicContact OE2-CZ 3.32Å; E210-R344 IonicContact OE2-NH1 3.52Å; E210-R344 PolarHBondContact OE2-NH1 2.91Å; N294-R344 PolarHBondContact OD1-NH2 3.27Å; D297-R344 IonicContact OD2-CZ 3.94Å; D297-R344 IonicContact OD2-NE 3.65Å; D297-R344 PolarHBondContact OD2-NE 2.86Å; D297-R344 IonicContact OD2-NH2 3.84Å; D297-R344 PolarHBondContact OD2-NH2 2.66Å; K341-R344 PolarHBondContact O-N 3.23Å; K341-R344 VanDerWaalsContact O-N 3.13Å; L342-R344 PolarHBondContact O-N 3.46Å; R344-Q350 PolarHBondContact O-NE2 3.46Å; R344-Q350 VanDerWaalsContact O-NE2 3.13Å
345	H	85.9	Confident	87.8	Confident	50 Å²	50	43 Å²	43	23%	0.231	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-10.8	-175	-60.1	-66.1	0	0	0	113.4	M226 L342 A343	M226-H345 HydrophobicContact CE-CB 3.19Å; L342-H345 CarbonylContact O-C 3.54Å; L342-H345 PolarHBondContact O-N 3.36Å; A343-H345 PolarHBondContact O-N 3.44Å
346	S	85.7	Confident	87.6	Confident	50 Å²	50	45.6 Å²	45.6	35%	0.35	26%	0.255	S	S	.	.			trans	-111.3	107.5	178.8	177.9	0	0	0	0	110.6	L342 A343 G348 L349 Q350	L342-S346 WeakPolarHBondContact O-CB 3.45Å; L342-S346 PolarHBondContact O-N 3.42Å; A343-S346 PolarHBondContact O-N 3.47Å; S346-G348 PolarHBondContact O-N 2.97Å; S346-L349 PolarHBondContact O-N 2.89Å; S346-L349 VanDerWaalsContact O-N 3.15Å; S346-L349 PolarHBondContact OG-N 3.3Å; S346-Q350 WeakPolarHBondContact O-CG 3.18Å; S346-Q350 PolarHBondContact O-N 3.01Å; S346-Q350 VanDerWaalsContact O-N 3.09Å
347	T	79.8	Confident	87.5	Confident	56 Å²	56	48.5 Å²	48.5	34%	0.344	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-35.3	175	57.4	0	0	0	0	111.4	Q350 S351 E459	T347-Q350 PolarHBondContact O-N 3.36Å; T347-S351 PolarHBondContact O-N 2.99Å; T347-S351 PolarHBondContact O-OG 3.1Å; T347-E459 WeakPolarHBondContact CG2-OE1 3.42Å
348	G	83.3	Confident	87.2	Confident	23 Å²	23	50 Å²	50	24%	0.237	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-35.3	175.8	0	0	0	0	0	114	S346 S351 L352	S346-G348 PolarHBondContact O-N 2.97Å; G348-S351 WeakPolarHBondContact CA-OG 3.49Å; G348-S351 PolarHBondContact O-OG 2.91Å; G348-L352 WeakPolarHBondContact O-CB 3.18Å; G348-L352 PolarHBondContact O-N 2.79Å
349	L	86.3	Confident	87	Confident	59 Å²	59	49.7 Å²	49.7	31%	0.309	27%	0.271	S	S	.	.	H	α-helix	trans	-76.3	-33.1	176.5	-171.7	55.5	0	0	0	111.4	A343 S346 L352 G353	A343-L349 HydrophobicContact CB-CB 4.35Å; A343-L349 HydrophobicContact CB-CD2 3.72Å; A343-L349 HydrophobicContact CB-CG 3.83Å; S346-L349 PolarHBondContact O-N 2.89Å; S346-L349 VanDerWaalsContact O-N 3.15Å; S346-L349 PolarHBondContact OG-N 3.3Å; L349-L352 HydrophobicContact CD1-CD2 4.02Å; L349-L352 PolarHBondContact O-N 2.92Å; L349-G353 PolarHBondContact O-N 3.49Å
350	Q	84.9	Confident	86.9	Confident	41 Å²	41	52.9 Å²	52.9	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-47.8	169.5	-64	175.5	28.3	0	0	110.9	A343 R344 S346 T347 L352 G353 F354	A343-Q350 WeakPolarHBondContact O-CG 3.48Å; A343-Q350 PolarHBondContact O-NE2 3.09Å; R344-Q350 PolarHBondContact O-NE2 3.46Å; R344-Q350 VanDerWaalsContact O-NE2 3.13Å; S346-Q350 WeakPolarHBondContact O-CG 3.18Å; S346-Q350 PolarHBondContact O-N 3.01Å; S346-Q350 VanDerWaalsContact O-N 3.09Å; T347-Q350 PolarHBondContact O-N 3.36Å; Q350-L352 VanDerWaalsContact C-N 3.27Å; Q350-L352 PolarHBondContact O-N 3.01Å; Q350-G353 PolarHBondContact O-N 3.33Å; Q350-G353 VanDerWaalsContact O-N 3.14Å; Q350-F354 WeakPolarHBondContact O-CD2 3.49Å; Q350-F354 PolarHBondContact O-N 2.86Å
351	S	81.4	Confident	86.9	Confident	5 Å²	5	57.1 Å²	57.1	4%	0.035	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-36.5	178.2	68.3	0	0	0	0	111.6	T347 G348 T355 F448	T347-S351 PolarHBondContact O-N 2.99Å; T347-S351 PolarHBondContact O-OG 3.1Å; G348-S351 WeakPolarHBondContact CA-OG 3.49Å; G348-S351 PolarHBondContact O-OG 2.91Å; S351-T355 VanDerWaalsContact O-CB 3.29Å; S351-T355 WeakPolarHBondContact O-CB 3.09Å; S351-T355 PolarHBondContact O-N 3.44Å; S351-T355 PolarHBondContact O-OG1 2.88Å; S351-F448 VanDerWaalsContact OG-CE2 3.3Å; S351-F448 WeakPolarHBondContact OG-CE2 3.31Å
352	L	86.9	Confident	86.8	Confident	75 Å²	75	59.7 Å²	59.7	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-50.3	172.2	-177.4	64.2	0	0	0	111.2	G348 L349 Q350 F354 T355 L356 F448	G348-L352 WeakPolarHBondContact O-CB 3.18Å; G348-L352 PolarHBondContact O-N 2.79Å; L349-L352 HydrophobicContact CD1-CD2 4.02Å; L349-L352 PolarHBondContact O-N 2.92Å; Q350-L352 VanDerWaalsContact C-N 3.27Å; Q350-L352 PolarHBondContact O-N 3.01Å; L352-F354 PolarHBondContact O-N 3.08Å; L352-T355 PolarHBondContact O-N 3.45Å; L352-T355 VanDerWaalsContact O-N 3.13Å; L352-L356 HydrophobicContact CD1-CG 4.4Å; L352-L356 HydrophobicContact CG-CD1 4.32Å; L352-L356 HydrophobicContact CG-CG 4.48Å; L352-L356 WeakPolarHBondContact O-CG 3.28Å; L352-L356 PolarHBondContact O-N 3.43Å; L352-F448 HydrophobicContact CB-CE2 4.21Å
353	G	86.1	Confident	86.8	Confident	38 Å²	38	59.9 Å²	59.9	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-57.7	-45.9	178.4	0	0	0	0	0	113.1	L349 Q350 L356 Q357	L349-G353 PolarHBondContact O-N 3.49Å; Q350-G353 PolarHBondContact O-N 3.33Å; Q350-G353 VanDerWaalsContact O-N 3.14Å; G353-L356 PolarHBondContact O-N 3.42Å; G353-Q357 PolarHBondContact O-N 2.95Å
354	F	83.3	Confident	86.9	Confident	111 Å²	111	61.3 Å²	61.3	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-38	175.1	-76.3	-67.5	0	0	0	112.6	Q350 L352 Q357 N358	Q350-F354 WeakPolarHBondContact O-CD2 3.49Å; Q350-F354 PolarHBondContact O-N 2.86Å; L352-F354 PolarHBondContact O-N 3.08Å; F354-Q357 PolarHBondContact O-N 3.22Å; F354-N358 WeakPolarHBondContact O-CB 3.09Å; F354-N358 PolarHBondContact O-N 3.41Å
355	T	87.2	Confident	87.2	Confident	1 Å²	1	64 Å²	64	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-42.9	177.4	-57.4	0	0	0	0	111.4	S351 L352 Q357 N358 S359 I444 N447 F448	S351-T355 VanDerWaalsContact O-CB 3.29Å; S351-T355 WeakPolarHBondContact O-CB 3.09Å; S351-T355 PolarHBondContact O-N 3.44Å; S351-T355 PolarHBondContact O-OG1 2.88Å; L352-T355 PolarHBondContact O-N 3.45Å; L352-T355 VanDerWaalsContact O-N 3.13Å; T355-Q357 VanDerWaalsContact C-N 3.33Å; T355-N358 PolarHBondContact O-N 3.1Å; T355-S359 WeakPolarHBondContact O-CB 3.45Å; T355-S359 PolarHBondContact O-N 3.24Å; T355-S359 PolarHBondContact O-OG 3.31Å; T355-I444 HydrophobicContact CG2-CG2 4.49Å; T355-N447 HydrophobicContact CG2-CB 4.09Å; T355-F448 HydrophobicContact CG2-CB 3.92Å
356	L	88.1	Confident	87.5	Confident	80 Å²	80	63.1 Å²	63.1	42%	0.419	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-42.9	175.6	-67.8	176.2	0	0	0	111	L352 G353 N358 S359 Y360 L363	L352-L356 HydrophobicContact CD1-CG 4.4Å; L352-L356 HydrophobicContact CG-CD1 4.32Å; L352-L356 HydrophobicContact CG-CG 4.48Å; L352-L356 WeakPolarHBondContact O-CG 3.28Å; L352-L356 PolarHBondContact O-N 3.43Å; G353-L356 PolarHBondContact O-N 3.42Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 2.98Å; L356-S359 PolarHBondContact O-N 2.99Å; L356-Y360 PolarHBondContact O-N 3.35Å; L356-Y360 VanDerWaalsContact O-N 3.15Å; L356-L363 HydrophobicContact CB-CD1 4.44Å; L356-L363 HydrophobicContact CD2-CD1 3.51Å
357	Q	87.2	Confident	87.9	Confident	135 Å²	135	67.2 Å²	67.2	63%	0.631	35%	0.346	S	S	*	.	H	α-helix	trans	-63.6	-38.3	176.6	-173.1	180	5.6	0	0	112	G353 F354 T355 Y360	G353-Q357 PolarHBondContact O-N 2.95Å; F354-Q357 PolarHBondContact O-N 3.22Å; T355-Q357 VanDerWaalsContact C-N 3.33Å; Q357-Y360 VanDerWaalsContact O-CD1 3.22Å; Q357-Y360 WeakPolarHBondContact O-CD1 3.45Å
358	N	85.4	Confident	88.6	Confident	89 Å²	89	68.4 Å²	68.4	48%	0.476	35%	0.35	S	S	.	.	H	α-helix	trans	-79.7	-29	179.5	-163.1	69.4	0	0	0	112.9	F354 T355 L356 F451	F354-N358 WeakPolarHBondContact O-CB 3.09Å; F354-N358 PolarHBondContact O-N 3.41Å; T355-N358 PolarHBondContact O-N 3.1Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 2.98Å; N358-F451 HydrophobicContact CB-CE2 3.79Å; N358-F451 HydrophobicContact CB-CZ 3.92Å
359	S	88.7	Confident	89.1	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	20.4	-177.1	-43.2	0	0	0	0	112.5	T355 L356 R361 E362 L363 N447	T355-S359 WeakPolarHBondContact O-CB 3.45Å; T355-S359 PolarHBondContact O-N 3.24Å; T355-S359 PolarHBondContact O-OG 3.31Å; L356-S359 PolarHBondContact O-N 2.99Å; S359-R361 PolarHBondContact O-N 3.01Å; S359-E362 PolarHBondContact O-N 3.28Å; S359-E362 VanDerWaalsContact O-N 3.12Å; S359-L363 WeakPolarHBondContact O-CG 3.25Å; S359-L363 PolarHBondContact O-N 3.19Å; S359-N447 PolarHBondContact OG-ND2 2.84Å; S359-N447 VanDerWaalsContact OG-ND2 3.07Å
360	Y	91.1	Very high	89.5	Confident	136 Å²	136	70 Å²	70	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-31.8	-176.1	78.3	-84.1	0	0	0	112.7	L356 Q357 E362 G364	L356-Y360 PolarHBondContact O-N 3.35Å; L356-Y360 VanDerWaalsContact O-N 3.15Å; Q357-Y360 VanDerWaalsContact O-CD1 3.22Å; Q357-Y360 WeakPolarHBondContact O-CD1 3.45Å; Y360-E362 VanDerWaalsContact C-N 3.33Å; Y360-G364 PolarHBondContact O-N 2.95Å
361	R	92.1	Very high	90	Very high	170 Å²	170	71 Å²	71	64%	0.642	36%	0.361	S	S	*	.	H	α-helix	trans	-66.7	-38.7	176.1	-72.2	-178.6	179.3	170.2	-3.2	111.1	S359 G364 L365	S359-R361 PolarHBondContact O-N 3.01Å; R361-G364 PolarHBondContact O-N 3.06Å; R361-L365 PolarHBondContact O-N 3.5Å
362	E	91.8	Very high	90.7	Very high	57 Å²	57	76 Å²	76	27%	0.266	39%	0.385	S	S	.	.	H	α-helix	trans	-77.8	-39.9	-175	-73	56.8	96.8	0	0	109.7	S359 Y360 L365 L366 I443	S359-E362 PolarHBondContact O-N 3.28Å; S359-E362 VanDerWaalsContact O-N 3.12Å; Y360-E362 VanDerWaalsContact C-N 3.33Å; E362-L365 PolarHBondContact O-N 3.11Å; E362-L366 PolarHBondContact O-N 3.43Å; E362-I443 HydrophobicContact CG-CG2 3.99Å
363	L	90.9	Very high	91.2	Very high	50 Å²	50	72.7 Å²	72.7	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-40.3	168.8	-72.5	165.8	0	0	0	111.8	L356 S359 L365 L366 M367 I444	L356-L363 HydrophobicContact CB-CD1 4.44Å; L356-L363 HydrophobicContact CD2-CD1 3.51Å; S359-L363 WeakPolarHBondContact O-CG 3.25Å; S359-L363 PolarHBondContact O-N 3.19Å; L363-L365 VanDerWaalsContact C-N 3.33Å; L363-L365 PolarHBondContact O-N 3.22Å; L363-L366 WeakPolarHBondContact O-CB 3.49Å; L363-L366 PolarHBondContact O-N 3.45Å; L363-M367 WeakPolarHBondContact O-CG 3.1Å; L363-M367 PolarHBondContact O-N 2.99Å; L363-I444 HydrophobicContact CD2-CD1 3.57Å; L363-I444 HydrophobicContact CG-CD1 4Å
364	G	91.9	Very high	91.7	Very high	39 Å²	39	71.5 Å²	71.5	40%	0.402	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-42.3	174.9	0	0	0	0	0	112.1	Y360 R361 M367 L368	Y360-G364 PolarHBondContact O-N 2.95Å; R361-G364 PolarHBondContact O-N 3.06Å; G364-M367 PolarHBondContact O-N 3.07Å; G364-L368 WeakPolarHBondContact O-CB 3.48Å; G364-L368 PolarHBondContact O-N 3.15Å
365	L	92.4	Very high	92.4	Very high	78 Å²	78	71.7 Å²	71.7	41%	0.408	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-42	174.7	-173.1	65.2	0	0	0	112.1	R361 E362 L363 L368 F369	R361-L365 PolarHBondContact O-N 3.5Å; E362-L365 PolarHBondContact O-N 3.11Å; L363-L365 VanDerWaalsContact C-N 3.33Å; L363-L365 PolarHBondContact O-N 3.22Å; L365-L368 WeakPolarHBondContact O-CB 3.39Å; L365-L368 PolarHBondContact O-N 2.85Å; L365-F369 HydrophobicContact CD1-CD2 4.23Å; L365-F369 HydrophobicContact CD1-CE1 4.15Å; L365-F369 HydrophobicContact CD1-CE2 3.62Å; L365-F369 HydrophobicContact CD1-CZ 3.58Å; L365-F369 HydrophobicContact CD2-CE2 3.93Å; L365-F369 HydrophobicContact CD2-CZ 4.48Å; L365-F369 HydrophobicContact CG-CD2 3.99Å; L365-F369 HydrophobicContact CG-CE2 3.56Å; L365-F369 HydrophobicContact CG-CZ 4.07Å; L365-F369 PolarHBondContact O-N 3.01Å
366	L	93.2	Very high	92.9	Very high	33 Å²	33	76.1 Å²	76.1	17%	0.173	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-48.6	174.3	176.2	63.2	0	0	0	111.3	E362 L363 L368 F369 M370 V436 I437 P440	E362-L366 PolarHBondContact O-N 3.43Å; L363-L366 WeakPolarHBondContact O-CB 3.49Å; L363-L366 PolarHBondContact O-N 3.45Å; L366-L368 VanDerWaalsContact C-N 3.29Å; L366-L368 PolarHBondContact O-N 3.44Å; L366-F369 PolarHBondContact O-N 3.47Å; L366-M370 VanDerWaalsContact O-CB 3.26Å; L366-M370 WeakPolarHBondContact O-CB 3.41Å; L366-M370 PolarHBondContact O-N 3.06Å; L366-V436 HydrophobicContact CD1-CG1 4.34Å; L366-I437 HydrophobicContact CD1-CG1 4.49Å; L366-P440 HydrophobicContact CB-CB 4.2Å; L366-P440 HydrophobicContact CB-CG 4.01Å; L366-P440 HydrophobicContact CD1-CG 3.99Å
367	M	93.3	Very high	93.4	Very high	135 Å²	135	73 Å²	73	67%	0.665	36%	0.363	S	S	*	.	H	α-helix	trans	-62.5	-36.5	177.9	-68.4	-64.6	-69.1	0	0	111.9	L363 G364 S371	L363-M367 WeakPolarHBondContact O-CG 3.1Å; L363-M367 PolarHBondContact O-N 2.99Å; G364-M367 PolarHBondContact O-N 3.07Å; M367-S371 WeakPolarHBondContact O-CB 3.43Å; M367-S371 PolarHBondContact O-N 3.27Å; M367-S371 PolarHBondContact O-OG 3.14Å
368	L	94.6	Very high	93.9	Very high	82 Å²	82	66.5 Å²	66.5	43%	0.429	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-52.3	175.8	-174.9	68.2	0	0	0	111.7	G364 L365 L366 M370 S371 M372	G364-L368 WeakPolarHBondContact O-CB 3.48Å; G364-L368 PolarHBondContact O-N 3.15Å; L365-L368 WeakPolarHBondContact O-CB 3.39Å; L365-L368 PolarHBondContact O-N 2.85Å; L366-L368 VanDerWaalsContact C-N 3.29Å; L366-L368 PolarHBondContact O-N 3.44Å; L368-M370 VanDerWaalsContact C-N 3.32Å; L368-M370 PolarHBondContact O-N 3.4Å; L368-S371 PolarHBondContact O-N 2.8Å; L368-S371 PolarHBondContact O-OG 2.95Å; L368-M372 HydrophobicContact CD1-CE 3.86Å; L368-M372 HydrophobicContact CD2-CE 4.22Å; L368-M372 HydrophobicContact CG-CE 3.89Å; L368-M372 HydrophobicContact CG-SD 4.41Å; L368-M372 WeakPolarHBondContact O-CG 3.13Å; L368-M372 PolarHBondContact O-N 3.46Å
369	F	94.7	Very high	94.5	Very high	85 Å²	85	63.9 Å²	63.9	37%	0.373	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-36.6	178.8	-68.3	-32.9	0	0	0	112.7	L365 L366 G373 V436	L365-F369 HydrophobicContact CD1-CD2 4.23Å; L365-F369 HydrophobicContact CD1-CE1 4.15Å; L365-F369 HydrophobicContact CD1-CE2 3.62Å; L365-F369 HydrophobicContact CD1-CZ 3.58Å; L365-F369 HydrophobicContact CD2-CE2 3.93Å; L365-F369 HydrophobicContact CD2-CZ 4.48Å; L365-F369 HydrophobicContact CG-CD2 3.99Å; L365-F369 HydrophobicContact CG-CE2 3.56Å; L365-F369 HydrophobicContact CG-CZ 4.07Å; L365-F369 PolarHBondContact O-N 3.01Å; L366-F369 PolarHBondContact O-N 3.47Å; F369-G373 PolarHBondContact O-N 3.5Å; F369-V436 HydrophobicContact CB-CG1 3.62Å; F369-V436 HydrophobicContact CB-CG2 4.4Å
370	M	94.6	Very high	94.9	Very high	29 Å²	29	67.9 Å²	67.9	14%	0.143	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-47.1	174.4	-169.8	68.3	-174.9	0	0	111.4	L366 L368 G373 V374 M407 T408	L366-M370 VanDerWaalsContact O-CB 3.26Å; L366-M370 WeakPolarHBondContact O-CB 3.41Å; L366-M370 PolarHBondContact O-N 3.06Å; L368-M370 VanDerWaalsContact C-N 3.32Å; L368-M370 PolarHBondContact O-N 3.4Å; M370-G373 PolarHBondContact O-N 3.14Å; M370-V374 HydrophobicContact CE-CG2 4.07Å; M370-V374 HydrophobicContact CG-CG2 4.46Å; M370-V374 WeakPolarHBondContact O-CB 3.34Å; M370-V374 VanDerWaalsContact O-CG2 3.26Å; M370-V374 WeakPolarHBondContact O-CG2 3.2Å; M370-V374 PolarHBondContact O-N 2.85Å; M370-M407 HydrophobicContact CE-CB 3.45Å; M370-M407 VanDerWaalsContact CE-CB 3.45Å; M370-M407 HydrophobicContact CE-CG 4.42Å; M370-M407 HydrophobicContact CE-SD 4.26Å; M370-M407 HydrophobicContact SD-CB 3.94Å; M370-M407 HydrophobicContact SD-CE 3.73Å; M370-M407 HydrophobicContact SD-SD 4.14Å; M370-T408 HydrophobicContact CE-CG2 3.6Å
371	S	96.1	Very high	95.2	Very high	63 Å²	63	61.4 Å²	61.4	44%	0.441	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-39.9	179	59.9	0	0	0	0	113.1	M367 L368 M375	M367-S371 WeakPolarHBondContact O-CB 3.43Å; M367-S371 PolarHBondContact O-N 3.27Å; M367-S371 PolarHBondContact O-OG 3.14Å; L368-S371 PolarHBondContact O-N 2.8Å; L368-S371 PolarHBondContact O-OG 2.95Å; S371-M375 WeakPolarHBondContact O-CB 3.45Å; S371-M375 PolarHBondContact O-N 3.33Å
372	M	96.2	Very high	95.5	Very high	109 Å²	109	56 Å²	56	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-46.3	172.7	-72.7	179.2	176.1	0	0	111.6	L368 M375 M376	L368-M372 HydrophobicContact CD1-CE 3.86Å; L368-M372 HydrophobicContact CD2-CE 4.22Å; L368-M372 HydrophobicContact CG-CE 3.89Å; L368-M372 HydrophobicContact CG-SD 4.41Å; L368-M372 WeakPolarHBondContact O-CG 3.13Å; L368-M372 PolarHBondContact O-N 3.46Å; M372-M375 PolarHBondContact O-N 3.36Å; M372-M376 WeakPolarHBondContact O-CB 3.46Å; M372-M376 PolarHBondContact O-N 3.41Å
373	G	96.5	Very high	95.7	Very high	7 Å²	7	59 Å²	59	7%	0.072	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-46.9	177.7	0	0	0	0	0	112.4	F369 M370 M375 M376 F377	F369-G373 PolarHBondContact O-N 3.5Å; M370-G373 PolarHBondContact O-N 3.14Å; G373-M375 PolarHBondContact O-N 3.47Å; G373-M376 PolarHBondContact O-N 3.39Å; G373-F377 VanDerWaalsContact O-CD2 3.22Å; G373-F377 WeakPolarHBondContact O-CD2 3.23Å; G373-F377 PolarHBondContact O-N 2.96Å
374	V	97.7	Very high	96	Very high	12 Å²	12	57.7 Å²	57.7	7%	0.073	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-50	176	168.8	0	0	0	0	110.2	M370 M376 S378 F400 A403 S404 M407	M370-V374 HydrophobicContact CE-CG2 4.07Å; M370-V374 HydrophobicContact CG-CG2 4.46Å; M370-V374 WeakPolarHBondContact O-CB 3.34Å; M370-V374 VanDerWaalsContact O-CG2 3.26Å; M370-V374 WeakPolarHBondContact O-CG2 3.2Å; M370-V374 PolarHBondContact O-N 2.85Å; V374-M376 VanDerWaalsContact C-N 3.34Å; V374-M376 PolarHBondContact O-N 3.12Å; V374-S378 WeakPolarHBondContact O-CB 3.48Å; V374-S378 PolarHBondContact O-N 2.7Å; V374-S378 PolarHBondContact O-OG 2.92Å; V374-F400 HydrophobicContact CG1-CB 3.79Å; V374-F400 HydrophobicContact CG1-CD1 3.74Å; V374-F400 HydrophobicContact CG1-CG 3.88Å; V374-A403 HydrophobicContact CB-CB 4.48Å; V374-A403 HydrophobicContact CG1-CB 4.29Å; V374-A403 HydrophobicContact CG2-CB 4.47Å; V374-S404 WeakPolarHBondContact CG2-OG 3.38Å; V374-M407 HydrophobicContact CG2-SD 3.94Å; V374-M407 PolarHBondContact N-SD 3.16Å
375	M	97.7	Very high	96.2	Very high	115 Å²	115	55.9 Å²	55.9	57%	0.567	29%	0.287	S	S	*	.	H	α-helix	trans	-59.3	-44.3	179.2	-174.1	178	-67.3	0	0	112.5	S371 M372 G373 S379	S371-M375 WeakPolarHBondContact O-CB 3.45Å; S371-M375 PolarHBondContact O-N 3.33Å; M372-M375 PolarHBondContact O-N 3.36Å; G373-M375 PolarHBondContact O-N 3.47Å; M375-S379 WeakPolarHBondContact O-CB 3.46Å; M375-S379 PolarHBondContact O-N 3.09Å; M375-S379 PolarHBondContact O-OG 2.74Å
376	M	97.8	Very high	96.3	Very high	95 Å²	95	56.6 Å²	56.6	47%	0.468	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-55.7	-179.2	-175.4	-176.5	69.2	0	0	111.9	M372 G373 V374 S378 S379 L380	M372-M376 WeakPolarHBondContact O-CB 3.46Å; M372-M376 PolarHBondContact O-N 3.41Å; G373-M376 PolarHBondContact O-N 3.39Å; V374-M376 VanDerWaalsContact C-N 3.34Å; V374-M376 PolarHBondContact O-N 3.12Å; M376-S378 PolarHBondContact O-N 2.86Å; M376-S379 PolarHBondContact O-N 3.3Å; M376-L380 HydrophobicContact CG-CD1 4.22Å; M376-L380 WeakPolarHBondContact O-CG 3.38Å; M376-L380 PolarHBondContact O-N 3.03Å
377	F	97.8	Very high	96.2	Very high	13 Å²	13	61.1 Å²	61.1	6%	0.057	31%	0.311	C	S	.	.	H	α-helix	trans	-69.9	-32.9	-175.5	-72.5	-65.8	0	0	0	112.7	G373 S379 L380 V381 A403 M407 I425 L428 C429 C432	G373-F377 VanDerWaalsContact O-CD2 3.22Å; G373-F377 WeakPolarHBondContact O-CD2 3.23Å; G373-F377 PolarHBondContact O-N 2.96Å; F377-S379 VanDerWaalsContact C-N 3.33Å; F377-L380 HydrophobicContact CD1-CD1 4.37Å; F377-L380 PolarHBondContact O-N 3.39Å; F377-V381 WeakPolarHBondContact O-CB 3.19Å; F377-V381 WeakPolarHBondContact O-CG1 3.43Å; F377-V381 PolarHBondContact O-N 3.15Å; F377-A403 HydrophobicContact CB-CB 4.36Å; F377-M407 HydrophobicContact CD2-SD 4.32Å; F377-I425 HydrophobicContact CD1-CG2 4.06Å; F377-L428 HydrophobicContact CE1-CB 4.09Å; F377-C429 HydrophobicContact CB-CB 4.2Å; F377-C429 HydrophobicContact CD1-CB 3.72Å; F377-C429 HydrophobicContact CD2-CB 4.06Å; F377-C429 HydrophobicContact CE1-CB 4.05Å; F377-C429 HydrophobicContact CE2-CB 4.39Å; F377-C429 HydrophobicContact CG-CB 3.73Å; F377-C429 HydrophobicContact CZ-CB 4.38Å; F377-C432 HydrophobicContact CE2-CB 3.64Å; F377-C432 HydrophobicContact CZ-CB 3.71Å
378	S	97.9	Very high	96.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-37.6	172.3	-65.6	0	0	0	0	112.6	V374 M376 V381 Y382 S399 F400 A403	V374-S378 WeakPolarHBondContact O-CB 3.48Å; V374-S378 PolarHBondContact O-N 2.7Å; V374-S378 PolarHBondContact O-OG 2.92Å; M376-S378 PolarHBondContact O-N 2.86Å; S378-V381 WeakPolarHBondContact O-CG1 3.34Å; S378-Y382 WeakPolarHBondContact O-CB 3.36Å; S378-Y382 PolarHBondContact O-N 3.32Å; S378-Y382 VanDerWaalsContact O-N 3.09Å; S378-S399 PolarHBondContact OG-O 3.16Å; S378-F400 VanDerWaalsContact OG-CA 3.28Å; S378-F400 WeakPolarHBondContact OG-CA 3.41Å; S378-F400 WeakPolarHBondContact OG-CD1 3.34Å; S378-F400 PolarHBondContact OG-N 3.14Å; S378-A403 WeakPolarHBondContact OG-CB 3.47Å
379	S	97.9	Very high	95.9	Very high	34 Å²	34	62.2 Å²	62.2	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-45.8	175.6	-57.9	0	0	0	0	111.1	M375 M376 F377 Y382 F383	M375-S379 WeakPolarHBondContact O-CB 3.46Å; M375-S379 PolarHBondContact O-N 3.09Å; M375-S379 PolarHBondContact O-OG 2.74Å; M376-S379 PolarHBondContact O-N 3.3Å; F377-S379 VanDerWaalsContact C-N 3.33Å; S379-Y382 PolarHBondContact O-N 3.13Å; S379-F383 WeakPolarHBondContact O-CD2 3.44Å; S379-F383 PolarHBondContact O-N 2.9Å; S379-F383 VanDerWaalsContact O-N 3.14Å
380	L	97.8	Very high	95.6	Very high	83 Å²	83	65.5 Å²	65.5	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-62.5	-47.8	179.4	-69.3	173.8	0	0	0	112.3	M376 F377 F383 A384 I425	M376-L380 HydrophobicContact CG-CD1 4.22Å; M376-L380 WeakPolarHBondContact O-CG 3.38Å; M376-L380 PolarHBondContact O-N 3.03Å; F377-L380 HydrophobicContact CD1-CD1 4.37Å; F377-L380 PolarHBondContact O-N 3.39Å; L380-F383 PolarHBondContact O-N 3.09Å; L380-A384 WeakPolarHBondContact O-CB 3.29Å; L380-A384 PolarHBondContact O-N 3.43Å; L380-I425 HydrophobicContact CB-CD1 4Å; L380-I425 HydrophobicContact CB-CG1 4.36Å; L380-I425 HydrophobicContact CB-CG2 3.94Å
381	V	97.4	Very high	95.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.8	-37.4	-179.2	76.5	0	0	0	0	111.5	F377 S378 F383 A384 E385 F393 W402 P417 I425	F377-V381 WeakPolarHBondContact O-CB 3.19Å; F377-V381 WeakPolarHBondContact O-CG1 3.43Å; F377-V381 PolarHBondContact O-N 3.15Å; S378-V381 WeakPolarHBondContact O-CG1 3.34Å; V381-F383 PolarHBondContact O-N 3.49Å; V381-A384 PolarHBondContact O-N 3.16Å; V381-A384 VanDerWaalsContact O-N 3.16Å; V381-E385 HydrophobicContact CG2-CG 4Å; V381-E385 WeakPolarHBondContact O-CB 3.14Å; V381-E385 WeakPolarHBondContact O-CG 3.21Å; V381-E385 PolarHBondContact O-N 2.99Å; V381-F393 HydrophobicContact CB-CE1 4.37Å; V381-F393 HydrophobicContact CG1-CD1 3.73Å; V381-F393 HydrophobicContact CG1-CE1 3.62Å; V381-F393 HydrophobicContact CG1-CZ 4.47Å; V381-F393 HydrophobicContact CG2-CD1 4.23Å; V381-F393 HydrophobicContact CG2-CE1 3.76Å; V381-F393 HydrophobicContact CG2-CE2 4.23Å; V381-F393 HydrophobicContact CG2-CZ 3.77Å; V381-W402 HydrophobicContact CB-CE3 4.17Å; V381-W402 HydrophobicContact CB-CH2 4.1Å; V381-W402 HydrophobicContact CB-CZ3 3.64Å; V381-W402 HydrophobicContact CG1-CE3 3.66Å; V381-W402 HydrophobicContact CG1-CH2 4.49Å; V381-W402 HydrophobicContact CG1-CZ3 3.61Å; V381-W402 HydrophobicContact CG2-CE3 4.25Å; V381-W402 HydrophobicContact CG2-CH2 3.87Å; V381-W402 HydrophobicContact CG2-CZ2 4.39Å; V381-W402 HydrophobicContact CG2-CZ3 3.81Å; V381-P417 HydrophobicContact CG2-CB 4.2Å; V381-I425 HydrophobicContact CB-CG2 4.28Å
382	Y	97.5	Very high	95.3	Very high	58 Å²	58	66.8 Å²	66.8	23%	0.227	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-49.5	175.4	171.5	-104.2	0	0	0	110.5	S378 S379 A384 E385 K386 F393 I396	S378-Y382 WeakPolarHBondContact O-CB 3.36Å; S378-Y382 PolarHBondContact O-N 3.32Å; S378-Y382 VanDerWaalsContact O-N 3.09Å; S379-Y382 PolarHBondContact O-N 3.13Å; Y382-A384 VanDerWaalsContact C-N 3.29Å; Y382-A384 PolarHBondContact O-N 2.84Å; Y382-E385 PolarHBondContact O-N 2.96Å; Y382-K386 HydrophobicContact CE2-CB 4.29Å; Y382-K386 WeakPolarHBondContact O-CA 3.23Å; Y382-K386 WeakPolarHBondContact O-CB 3.19Å; Y382-K386 WeakPolarHBondContact O-CG 3.2Å; Y382-K386 PolarHBondContact O-N 3.46Å; Y382-F393 WeakPolarHBondContact CD2-O 3.45Å; Y382-I396 HydrophobicContact CD1-CD1 4.34Å; Y382-I396 HydrophobicContact CD1-CG1 3.71Å; Y382-I396 HydrophobicContact CE1-CG1 4.26Å; Y382-I396 HydrophobicContact CG-CG1 3.95Å
383	F	96.8	Very high	95.3	Very high	120 Å²	120	61.8 Å²	61.8	53%	0.526	32%	0.316	S	S	.	.	H	α-helix	trans	-68.1	-25.9	178	-75.5	-63.6	0	0	0	114	S379 L380 V381 K386	S379-F383 WeakPolarHBondContact O-CD2 3.44Å; S379-F383 PolarHBondContact O-N 2.9Å; S379-F383 VanDerWaalsContact O-N 3.14Å; L380-F383 PolarHBondContact O-N 3.09Å; V381-F383 PolarHBondContact O-N 3.49Å; F383-K386 HydrophobicContact CD1-CD 4.08Å
384	A	96.6	Very high	95.2	Very high	22 Å²	22	66.3 Å²	66.3	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-78.2	-30.5	175.7	0	0	0	0	0	113.4	L380 V381 Y382 S419 P421 I425	L380-A384 WeakPolarHBondContact O-CB 3.29Å; L380-A384 PolarHBondContact O-N 3.43Å; V381-A384 PolarHBondContact O-N 3.16Å; V381-A384 VanDerWaalsContact O-N 3.16Å; Y382-A384 VanDerWaalsContact C-N 3.29Å; Y382-A384 PolarHBondContact O-N 2.84Å; A384-S419 PolarHBondContact O-OG 3.42Å; A384-P421 HydrophobicContact CB-CB 4.28Å; A384-P421 HydrophobicContact CB-CG 4.35Å; A384-I425 HydrophobicContact CB-CD1 3.71Å
385	E	96	Very high	95.1	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-108.9	-11.8	-172.7	-64	-68.9	143.8	0	0	114.2	V381 Y382 D387 Q388 T391 F393 P417 V418 S419	V381-E385 HydrophobicContact CG2-CG 4Å; V381-E385 WeakPolarHBondContact O-CB 3.14Å; V381-E385 WeakPolarHBondContact O-CG 3.21Å; V381-E385 PolarHBondContact O-N 2.99Å; Y382-E385 PolarHBondContact O-N 2.96Å; E385-D387 PolarHBondContact O-N 3.49Å; E385-D387 VanDerWaalsContact O-N 3.08Å; E385-Q388 WeakPolarHBondContact O-CB 3.09Å; E385-Q388 PolarHBondContact O-N 3.08Å; E385-T391 PolarHBondContact O-OG1 3.46Å; E385-F393 HydrophobicContact CB-CB 4.16Å; E385-F393 HydrophobicContact CB-CD2 3.6Å; E385-F393 HydrophobicContact CB-CE2 4.32Å; E385-F393 HydrophobicContact CB-CG 4.1Å; E385-F393 HydrophobicContact CG-CD2 3.71Å; E385-F393 HydrophobicContact CG-CE2 3.91Å; E385-F393 HydrophobicContact CG-CG 4.44Å; E385-P417 HydrophobicContact CG-CB 3.97Å; E385-P417 WeakPolarHBondContact OE1-CA 3.42Å; E385-P417 WeakPolarHBondContact OE1-CB 3.48Å; E385-V418 PolarHBondContact OE1-N 2.92Å; E385-V418 PolarHBondContact OE2-N 3.46Å; E385-S419 WeakPolarHBondContact OE1-CA 3.44Å; E385-S419 WeakPolarHBondContact OE1-CB 3.27Å; E385-S419 PolarHBondContact OE1-N 3.48Å; E385-S419 PolarHBondContact OE1-OG 3.32Å; E385-S419 PolarHBondContact OE2-N 2.9Å
386	K	93.5	Very high	95.1	Very high	92 Å²	92	65 Å²	65	40%	0.4	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.1	-174.9	59.8	168.1	-168.9	170.6	0	114.6	Y382 F383	Y382-K386 HydrophobicContact CE2-CB 4.29Å; Y382-K386 WeakPolarHBondContact O-CA 3.23Å; Y382-K386 WeakPolarHBondContact O-CB 3.19Å; Y382-K386 WeakPolarHBondContact O-CG 3.2Å; Y382-K386 PolarHBondContact O-N 3.46Å; F383-K386 HydrophobicContact CD1-CD 4.08Å
387	D	92.3	Very high	95	Very high	129 Å²	129	64.6 Å²	64.6	69%	0.69	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	0.2	-176.8	-57.1	-43.3	0	0	0	112.2	E385	E385-D387 PolarHBondContact O-N 3.49Å; E385-D387 VanDerWaalsContact O-N 3.08Å
388	Q	92.2	Very high	95	Very high	84 Å²	84	65.6 Å²	65.6	39%	0.393	36%	0.355	S	S	.	.	S	Bend	trans	-80.8	139.6	176.3	-61.7	-61.4	-41	0	0	111.4	E385 T391	E385-Q388 WeakPolarHBondContact O-CB 3.09Å; E385-Q388 PolarHBondContact O-N 3.08Å; Q388-T391 WeakPolarHBondContact O-CG2 3.25Å; Q388-T391 PolarHBondContact O-N 3.47Å
389	I	89	Confident	94.9	Very high	155 Å²	155	65.6 Å²	65.6	80%	0.795	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	133.4	177.9	-56.4	171.4	0	0	0	109.2	T391	I389-T391 VanDerWaalsContact C-N 3.29Å; I389-T391 PolarHBondContact O-N 3.28Å
390	N	88.4	Confident	94.9	Very high	155 Å²	155	67.4 Å²	67.4	83%	0.829	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	34.4	-178.6	-58	-34.8	0	0	0	114.3
391	T	91.2	Very high	94.9	Very high	33 Å²	33	69.1 Å²	69.1	20%	0.202	36%	0.36	C	S	.	.			trans	-69.1	137.3	174.3	-173.5	0	0	0	0	112.1	E385 Q388 I389 F393	E385-T391 PolarHBondContact O-OG1 3.46Å; Q388-T391 WeakPolarHBondContact O-CG2 3.25Å; Q388-T391 PolarHBondContact O-N 3.47Å; I389-T391 VanDerWaalsContact C-N 3.29Å; I389-T391 PolarHBondContact O-N 3.28Å; T391-F393 PolarHBondContact O-N 3.35Å; T391-F393 WeakPolarHBondContact OG1-CD2 3.49Å; T391-F393 PolarHBondContact OG1-N 2.73Å
392	N	93.5	Very high	95	Very high	86 Å²	86	69.6 Å²	69.6	46%	0.46	36%	0.362	S	S	.	.	S	Bend	trans	-79.1	-8.8	171.5	-68.4	-19.5	0	0	0	112.1	T394 D414 M415	N392-T394 VanDerWaalsContact C-N 3.29Å; N392-T394 PolarHBondContact O-N 3.26Å; N392-D414 PolarHBondContact ND2-O 2.71Å; N392-M415 HydrophobicContact CB-CB 4.5Å; N392-M415 HydrophobicContact CB-CE 4.14Å; N392-M415 HydrophobicContact CB-CG 3.91Å; N392-M415 VanDerWaalsContact O-CE 3.23Å; N392-M415 WeakPolarHBondContact O-CE 3.43Å
393	F	95.4	Very high	95	Very high	3 Å²	3	66.9 Å²	66.9	1%	0.013	35%	0.351	C	S	.	.			trans	-83.4	66.9	179.5	-61.6	-81.2	0	0	0	111.5	V381 Y382 E385 T391 W402 M415 Y416 P417	V381-F393 HydrophobicContact CB-CE1 4.37Å; V381-F393 HydrophobicContact CG1-CD1 3.73Å; V381-F393 HydrophobicContact CG1-CE1 3.62Å; V381-F393 HydrophobicContact CG1-CZ 4.47Å; V381-F393 HydrophobicContact CG2-CD1 4.23Å; V381-F393 HydrophobicContact CG2-CE1 3.76Å; V381-F393 HydrophobicContact CG2-CE2 4.23Å; V381-F393 HydrophobicContact CG2-CZ 3.77Å; Y382-F393 WeakPolarHBondContact CD2-O 3.45Å; E385-F393 HydrophobicContact CB-CB 4.16Å; E385-F393 HydrophobicContact CB-CD2 3.6Å; E385-F393 HydrophobicContact CB-CE2 4.32Å; E385-F393 HydrophobicContact CB-CG 4.1Å; E385-F393 HydrophobicContact CG-CD2 3.71Å; E385-F393 HydrophobicContact CG-CE2 3.91Å; E385-F393 HydrophobicContact CG-CG 4.44Å; T391-F393 PolarHBondContact O-N 3.35Å; T391-F393 WeakPolarHBondContact OG1-CD2 3.49Å; T391-F393 PolarHBondContact OG1-N 2.73Å; F393-W402 HydrophobicContact CE1-CB 3.82Å; F393-W402 AromaticContact CE1-CD2 3.71Å; F393-W402 HydrophobicContact CE1-CD2 3.71Å; F393-W402 HydrophobicContact CE1-CE3 4.01Å; F393-W402 AromaticContact CE1-CG 3.63Å; F393-W402 HydrophobicContact CE1-CG 3.63Å; F393-W402 HydrophobicContact CZ-CB 4.42Å; F393-W402 AromaticContact CZ-CD2 3.91Å; F393-W402 HydrophobicContact CZ-CD2 3.91Å; F393-W402 AromaticContact CZ-CG 3.85Å; F393-W402 HydrophobicContact CZ-CG 3.85Å; F393-M415 HydrophobicContact CD1-CE 3.73Å; F393-M415 HydrophobicContact CE1-CE 3.91Å; F393-M415 HydrophobicContact CG-CE 4.24Å; F393-Y416 WeakPolarHBondContact CE2-O 3.47Å; F393-P417 HydrophobicContact CE2-CB 4.43Å
394	T	94.8	Very high	95	Very high	102 Å²	102	63.1 Å²	63.1	63%	0.626	34%	0.339	S	S	*	.			trans	-73.7	-31.7	-173.3	57.6	0	0	0	0	114.3	N392	N392-T394 VanDerWaalsContact C-N 3.29Å; N392-T394 PolarHBondContact O-N 3.26Å
395	S	95.8	Very high	95	Very high	45 Å²	45	62.5 Å²	62.5	32%	0.315	33%	0.333	S	S	.	.	S	Bend	trans	-153.6	162.9	179.9	64.8	0	0	0	0	110.8	A398 S399	S395-A398 PolarHBondContact O-N 2.52Å; S395-A398 VanDerWaalsContact OG-CB 3.29Å; S395-A398 WeakPolarHBondContact OG-CB 3.34Å; S395-A398 PolarHBondContact OG-N 2.89Å; S395-S399 WeakPolarHBondContact O-CB 3.37Å; S395-S399 PolarHBondContact O-N 3.44Å; S395-S399 PolarHBondContact O-OG 2.96Å
396	I	96.9	Very high	95	Very high	54 Å²	54	63.6 Å²	63.6	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-46.3	176.5	-59.6	172.2	0	0	0	111.2	Y382 A398 S399 F400	Y382-I396 HydrophobicContact CD1-CD1 4.34Å; Y382-I396 HydrophobicContact CD1-CG1 3.71Å; Y382-I396 HydrophobicContact CE1-CG1 4.26Å; Y382-I396 HydrophobicContact CG-CG1 3.95Å; I396-A398 PolarHBondContact O-N 2.95Å; I396-S399 CarbonylContact O-C 3.57Å; I396-S399 WeakPolarHBondContact O-CA 3.26Å; I396-S399 WeakPolarHBondContact O-CB 3.12Å; I396-S399 PolarHBondContact O-N 3.48Å; I396-S399 VanDerWaalsContact O-N 3.07Å; I396-F400 HydrophobicContact CG2-CE1 3.75Å; I396-F400 HydrophobicContact CG2-CZ 4.27Å; I396-F400 WeakPolarHBondContact O-CD1 3.47Å; I396-F400 PolarHBondContact O-N 3.23Å; I396-F400 VanDerWaalsContact O-N 3.17Å
397	P	97.3	Very high	95.2	Very high	87 Å²	87	59.2 Å²	59.2	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-37.1	175.8	-24.3	36.1	0	0	0	113.9	S399 F400	P397-S399 PolarHBondContact O-N 3.47Å; P397-F400 HydrophobicContact CB-CD2 4.4Å; P397-F400 HydrophobicContact CB-CE2 4.47Å; P397-F400 VanDerWaalsContact O-CB 3.26Å; P397-F400 WeakPolarHBondContact O-CB 3.45Å; P397-F400 PolarHBondContact O-N 3.05Å; P397-F400 VanDerWaalsContact O-N 3.13Å
398	A	96.4	Very high	95.3	Very high	34 Å²	34	55.7 Å²	55.7	28%	0.281	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-35.7	173.1	0	0	0	0	0	111.2	S395 I396 F400 W401	S395-A398 PolarHBondContact O-N 2.52Å; S395-A398 VanDerWaalsContact OG-CB 3.29Å; S395-A398 WeakPolarHBondContact OG-CB 3.34Å; S395-A398 PolarHBondContact OG-N 2.89Å; I396-A398 PolarHBondContact O-N 2.95Å; A398-F400 PolarHBondContact O-N 3.06Å; A398-W401 PolarHBondContact O-N 3.23Å
399	S	97.2	Very high	95.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-71.1	-14.9	176.7	-52	0	0	0	0	113.3	S378 S395 I396 P397 W401 W402 A403	S378-S399 PolarHBondContact OG-O 3.16Å; S395-S399 WeakPolarHBondContact O-CB 3.37Å; S395-S399 PolarHBondContact O-N 3.44Å; S395-S399 PolarHBondContact O-OG 2.96Å; I396-S399 CarbonylContact O-C 3.57Å; I396-S399 WeakPolarHBondContact O-CA 3.26Å; I396-S399 WeakPolarHBondContact O-CB 3.12Å; I396-S399 PolarHBondContact O-N 3.48Å; I396-S399 VanDerWaalsContact O-N 3.07Å; P397-S399 PolarHBondContact O-N 3.47Å; S399-W401 PolarHBondContact O-N 2.84Å; S399-W402 PolarHBondContact O-N 3.16Å; S399-A403 PolarHBondContact O-N 2.79Å; S399-A403 VanDerWaalsContact O-N 3.12Å
400	F	97.8	Very high	95.9	Very high	73 Å²	73	52.3 Å²	52.3	32%	0.32	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-34.6	173.3	-68.3	-14.4	0	0	0	111.9	V374 S378 I396 P397 A398 S404	V374-F400 HydrophobicContact CG1-CB 3.79Å; V374-F400 HydrophobicContact CG1-CD1 3.74Å; V374-F400 HydrophobicContact CG1-CG 3.88Å; S378-F400 VanDerWaalsContact OG-CA 3.28Å; S378-F400 WeakPolarHBondContact OG-CA 3.41Å; S378-F400 WeakPolarHBondContact OG-CD1 3.34Å; S378-F400 PolarHBondContact OG-N 3.14Å; I396-F400 HydrophobicContact CG2-CE1 3.75Å; I396-F400 HydrophobicContact CG2-CZ 4.27Å; I396-F400 WeakPolarHBondContact O-CD1 3.47Å; I396-F400 PolarHBondContact O-N 3.23Å; I396-F400 VanDerWaalsContact O-N 3.17Å; P397-F400 HydrophobicContact CB-CD2 4.4Å; P397-F400 HydrophobicContact CB-CE2 4.47Å; P397-F400 VanDerWaalsContact O-CB 3.26Å; P397-F400 WeakPolarHBondContact O-CB 3.45Å; P397-F400 PolarHBondContact O-N 3.05Å; P397-F400 VanDerWaalsContact O-N 3.13Å; A398-F400 PolarHBondContact O-N 3.06Å; F400-S404 VanDerWaalsContact O-CB 3.25Å; F400-S404 WeakPolarHBondContact O-CB 3.45Å; F400-S404 PolarHBondContact O-N 3.5Å; F400-S404 PolarHBondContact O-OG 2.79Å
401	W	97.6	Very high	96.2	Very high	118 Å²	118	47.2 Å²	47.2	45%	0.447	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-54	176	172	-116	0	0	0	111	A398 S399 A403 S404 I405 Y412 D414	A398-W401 PolarHBondContact O-N 3.23Å; S399-W401 PolarHBondContact O-N 2.84Å; W401-A403 PolarHBondContact O-N 3.5Å; W401-S404 PolarHBondContact O-N 3.21Å; W401-I405 HydrophobicContact CD2-CG2 4.18Å; W401-I405 HydrophobicContact CE3-CG2 4.08Å; W401-I405 HydrophobicContact CH2-CG2 3.94Å; W401-I405 HydrophobicContact CZ2-CG2 4.02Å; W401-I405 HydrophobicContact CZ3-CG2 3.96Å; W401-I405 WeakPolarHBondContact O-CG1 3.38Å; W401-I405 PolarHBondContact O-N 3.28Å; W401-I405 VanDerWaalsContact O-N 3.08Å; W401-Y412 AromaticContact CH2-CD2 4Å; W401-Y412 HydrophobicContact CH2-CD2 4Å; W401-Y412 AromaticContact CH2-CE2 3.64Å; W401-Y412 HydrophobicContact CH2-CE2 3.64Å; W401-Y412 AromaticContact CZ2-CD2 3.56Å; W401-Y412 HydrophobicContact CZ2-CD2 3.56Å; W401-Y412 AromaticContact CZ2-CE2 3.71Å; W401-Y412 HydrophobicContact CZ2-CE2 3.71Å; W401-D414 PolarHBondContact NE1-OD2 3.36Å
402	W	97.8	Very high	96.5	Very high	11 Å²	11	53.2 Å²	53.2	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-46.4	178.7	174.9	77.8	0	0	0	112.9	V381 F393 S399 S404 I405 T406 M415 P417 C429	V381-W402 HydrophobicContact CB-CE3 4.17Å; V381-W402 HydrophobicContact CB-CH2 4.1Å; V381-W402 HydrophobicContact CB-CZ3 3.64Å; V381-W402 HydrophobicContact CG1-CE3 3.66Å; V381-W402 HydrophobicContact CG1-CH2 4.49Å; V381-W402 HydrophobicContact CG1-CZ3 3.61Å; V381-W402 HydrophobicContact CG2-CE3 4.25Å; V381-W402 HydrophobicContact CG2-CH2 3.87Å; V381-W402 HydrophobicContact CG2-CZ2 4.39Å; V381-W402 HydrophobicContact CG2-CZ3 3.81Å; F393-W402 HydrophobicContact CE1-CB 3.82Å; F393-W402 AromaticContact CE1-CD2 3.71Å; F393-W402 HydrophobicContact CE1-CD2 3.71Å; F393-W402 HydrophobicContact CE1-CE3 4.01Å; F393-W402 AromaticContact CE1-CG 3.63Å; F393-W402 HydrophobicContact CE1-CG 3.63Å; F393-W402 HydrophobicContact CZ-CB 4.42Å; F393-W402 AromaticContact CZ-CD2 3.91Å; F393-W402 HydrophobicContact CZ-CD2 3.91Å; F393-W402 AromaticContact CZ-CG 3.85Å; F393-W402 HydrophobicContact CZ-CG 3.85Å; S399-W402 PolarHBondContact O-N 3.16Å; W402-S404 VanDerWaalsContact C-N 3.34Å; W402-S404 PolarHBondContact O-N 3.48Å; W402-I405 WeakPolarHBondContact O-CG1 3.33Å; W402-T406 HydrophobicContact CZ2-CG2 4.49Å; W402-T406 PolarHBondContact NE1-OG1 3.19Å; W402-T406 WeakPolarHBondContact O-CB 3.26Å; W402-T406 PolarHBondContact O-N 2.96Å; W402-T406 PolarHBondContact O-OG1 3.47Å; W402-M415 HydrophobicContact CB-CB 4.06Å; W402-M415 HydrophobicContact CB-CE 4.23Å; W402-M415 HydrophobicContact CB-SD 4.38Å; W402-M415 HydrophobicContact CG-CB 4.31Å; W402-M415 PolarHBondContact NE1-O 3.11Å; W402-P417 HydrophobicContact CZ2-CG 4.03Å; W402-C429 HydrophobicContact CH2-CB 4.48Å
403	A	97.8	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-38.4	-180	0	0	0	0	0	111.5	V374 F377 S378 S399 W401 T406 M407	V374-A403 HydrophobicContact CB-CB 4.48Å; V374-A403 HydrophobicContact CG1-CB 4.29Å; V374-A403 HydrophobicContact CG2-CB 4.47Å; F377-A403 HydrophobicContact CB-CB 4.36Å; S378-A403 WeakPolarHBondContact OG-CB 3.47Å; S399-A403 PolarHBondContact O-N 2.79Å; S399-A403 VanDerWaalsContact O-N 3.12Å; W401-A403 PolarHBondContact O-N 3.5Å; A403-T406 PolarHBondContact O-N 3.36Å; A403-M407 VanDerWaalsContact O-CB 3.27Å; A403-M407 WeakPolarHBondContact O-CB 3.23Å; A403-M407 VanDerWaalsContact O-CG 3.28Å; A403-M407 WeakPolarHBondContact O-CG 3.43Å; A403-M407 PolarHBondContact O-N 3.2Å
404	S	96.9	Very high	96.5	Very high	41 Å²	41	54.6 Å²	54.6	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-48.4	178.6	-60.4	0	0	0	0	112.2	V374 F400 W401 W402 T406 T408	V374-S404 WeakPolarHBondContact CG2-OG 3.38Å; F400-S404 VanDerWaalsContact O-CB 3.25Å; F400-S404 WeakPolarHBondContact O-CB 3.45Å; F400-S404 PolarHBondContact O-N 3.5Å; F400-S404 PolarHBondContact O-OG 2.79Å; W401-S404 PolarHBondContact O-N 3.21Å; W402-S404 VanDerWaalsContact C-N 3.34Å; W402-S404 PolarHBondContact O-N 3.48Å; S404-T406 VanDerWaalsContact C-N 3.33Å; S404-T406 PolarHBondContact O-N 2.87Å; S404-T408 WeakPolarHBondContact O-CB 3.45Å; S404-T408 WeakPolarHBondContact O-CG2 3.46Å; S404-T408 PolarHBondContact O-N 3.07Å; S404-T408 VanDerWaalsContact O-N 3.08Å; S404-T408 PolarHBondContact O-OG1 3.09Å
405	I	97.1	Very high	96.5	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-71.3	-28.4	179.7	66.7	178.2	0	0	0	112.5	W401 W402 T408 T409 V410 G411 Y412	W401-I405 HydrophobicContact CD2-CG2 4.18Å; W401-I405 HydrophobicContact CE3-CG2 4.08Å; W401-I405 HydrophobicContact CH2-CG2 3.94Å; W401-I405 HydrophobicContact CZ2-CG2 4.02Å; W401-I405 HydrophobicContact CZ3-CG2 3.96Å; W401-I405 WeakPolarHBondContact O-CG1 3.38Å; W401-I405 PolarHBondContact O-N 3.28Å; W401-I405 VanDerWaalsContact O-N 3.08Å; W402-I405 WeakPolarHBondContact O-CG1 3.33Å; I405-T408 WeakPolarHBondContact CA-OG1 3.49Å; I405-T408 PolarHBondContact O-OG1 2.94Å; I405-T409 PolarHBondContact O-N 3.27Å; I405-V410 HydrophobicContact CB-CB 4.25Å; I405-V410 PolarHBondContact O-N 2.97Å; I405-G411 PolarHBondContact O-N 3.48Å; I405-G411 VanDerWaalsContact O-N 3.16Å; I405-Y412 HydrophobicContact CD1-CD2 4.06Å; I405-Y412 HydrophobicContact CG2-CD2 4.03Å; I405-Y412 HydrophobicContact CG2-CE2 4.05Å
406	T	97	Very high	96.5	Very high	24 Å²	24	55.8 Å²	55.8	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-76.7	-45	177.7	-59.3	0	0	0	0	111	W402 A403 S404 T408 T409 C429 C430	W402-T406 HydrophobicContact CZ2-CG2 4.49Å; W402-T406 PolarHBondContact NE1-OG1 3.19Å; W402-T406 WeakPolarHBondContact O-CB 3.26Å; W402-T406 PolarHBondContact O-N 2.96Å; W402-T406 PolarHBondContact O-OG1 3.47Å; A403-T406 PolarHBondContact O-N 3.36Å; S404-T406 VanDerWaalsContact C-N 3.33Å; S404-T406 PolarHBondContact O-N 2.87Å; T406-T408 VanDerWaalsContact C-N 3.31Å; T406-T408 PolarHBondContact O-N 3.25Å; T406-T409 PolarHBondContact O-N 3.45Å; T406-C429 HydrophobicContact CG2-CB 4.29Å; T406-C430 HydrophobicContact CG2-CB 4.49Å
407	M	96.3	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-34.8	175.8	-76	-175.3	73	0	0	112.5	M370 V374 F377 A403 T409 C429 G433 I437	M370-M407 HydrophobicContact CE-CB 3.45Å; M370-M407 VanDerWaalsContact CE-CB 3.45Å; M370-M407 HydrophobicContact CE-CG 4.42Å; M370-M407 HydrophobicContact CE-SD 4.26Å; M370-M407 HydrophobicContact SD-CB 3.94Å; M370-M407 HydrophobicContact SD-CE 3.73Å; M370-M407 HydrophobicContact SD-SD 4.14Å; V374-M407 HydrophobicContact CG2-SD 3.94Å; V374-M407 PolarHBondContact N-SD 3.16Å; F377-M407 HydrophobicContact CD2-SD 4.32Å; A403-M407 VanDerWaalsContact O-CB 3.27Å; A403-M407 WeakPolarHBondContact O-CB 3.23Å; A403-M407 VanDerWaalsContact O-CG 3.28Å; A403-M407 WeakPolarHBondContact O-CG 3.43Å; A403-M407 PolarHBondContact O-N 3.2Å; M407-T409 PolarHBondContact O-N 3.14Å; M407-C429 VanDerWaalsContact CG-SG 3.54Å; M407-G433 CarbonylContact O-C 3.58Å; M407-G433 WeakPolarHBondContact O-CA 3.39Å; M407-I437 WeakPolarHBondContact O-CD1 3.46Å
408	T	95.7	Very high	96.4	Very high	55 Å²	55	53.7 Å²	53.7	34%	0.337	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	3.2	173.6	53.1	0	0	0	0	113.8	M370 S404 I405 T406 V410 I437	M370-T408 HydrophobicContact CE-CG2 3.6Å; S404-T408 WeakPolarHBondContact O-CB 3.45Å; S404-T408 WeakPolarHBondContact O-CG2 3.46Å; S404-T408 PolarHBondContact O-N 3.07Å; S404-T408 VanDerWaalsContact O-N 3.08Å; S404-T408 PolarHBondContact O-OG1 3.09Å; I405-T408 WeakPolarHBondContact CA-OG1 3.49Å; I405-T408 PolarHBondContact O-OG1 2.94Å; T406-T408 VanDerWaalsContact C-N 3.31Å; T406-T408 PolarHBondContact O-N 3.25Å; T408-V410 PolarHBondContact O-N 3.39Å; T408-I437 HydrophobicContact CG2-CD1 4.15Å
409	T	96.2	Very high	96.3	Very high	92 Å²	92	52.7 Å²	52.7	56%	0.564	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	21.2	-179.5	68.6	0	0	0	0	115	I405 T406 M407 V434	I405-T409 PolarHBondContact O-N 3.27Å; T406-T409 PolarHBondContact O-N 3.45Å; M407-T409 PolarHBondContact O-N 3.14Å; T409-V434 HydrophobicContact CG2-CG2 3.63Å
410	V	97.1	Very high	96.3	Very high	75 Å²	75	57.9 Å²	57.9	46%	0.455	32%	0.317	S	S	.	.			trans	-74.9	-53.2	175.8	175.7	0	0	0	0	110.9	I405 T408 Y412	I405-V410 HydrophobicContact CB-CB 4.25Å; I405-V410 PolarHBondContact O-N 2.97Å; T408-V410 PolarHBondContact O-N 3.39Å; V410-Y412 HydrophobicContact CG1-CD1 4.12Å; V410-Y412 HydrophobicContact CG1-CD2 4.03Å; V410-Y412 HydrophobicContact CG1-CE1 3.75Å; V410-Y412 HydrophobicContact CG1-CE2 3.65Å; V410-Y412 HydrophobicContact CG1-CG 4.25Å
411	G	95.1	Very high	96.2	Very high	48 Å²	48	57.7 Å²	57.7	50%	0.495	32%	0.324	S	S	.	.			trans	52.7	63.2	172.3	0	0	0	0	0	116	I405 G413	I405-G411 PolarHBondContact O-N 3.48Å; I405-G411 VanDerWaalsContact O-N 3.16Å; G411-G413 PolarHBondContact O-N 3.39Å
412	Y	96.3	Very high	96.1	Very high	159 Å²	159	52.1 Å²	52.1	62%	0.624	30%	0.303	S	S	*	.			trans	-58.3	-29	178.8	-67.2	-62.4	0	0	0	114.5	W401 I405 V410	W401-Y412 AromaticContact CH2-CD2 4Å; W401-Y412 HydrophobicContact CH2-CD2 4Å; W401-Y412 AromaticContact CH2-CE2 3.64Å; W401-Y412 HydrophobicContact CH2-CE2 3.64Å; W401-Y412 AromaticContact CZ2-CD2 3.56Å; W401-Y412 HydrophobicContact CZ2-CD2 3.56Å; W401-Y412 AromaticContact CZ2-CE2 3.71Å; W401-Y412 HydrophobicContact CZ2-CE2 3.71Å; I405-Y412 HydrophobicContact CD1-CD2 4.06Å; I405-Y412 HydrophobicContact CG2-CD2 4.03Å; I405-Y412 HydrophobicContact CG2-CE2 4.05Å; V410-Y412 HydrophobicContact CG1-CD1 4.12Å; V410-Y412 HydrophobicContact CG1-CD2 4.03Å; V410-Y412 HydrophobicContact CG1-CE1 3.75Å; V410-Y412 HydrophobicContact CG1-CE2 3.65Å; V410-Y412 HydrophobicContact CG1-CG 4.25Å
413	G	94.5	Very high	96.1	Very high	45 Å²	45	57.3 Å²	57.3	46%	0.464	33%	0.325	S	S	.	.	S	Bend	trans	86.2	9	178.6	0	0	0	0	0	115	G411 Y416	G411-G413 PolarHBondContact O-N 3.39Å; G413-Y416 WeakPolarHBondContact O-CD1 3.46Å
414	D	95.6	Very high	96.1	Very high	74 Å²	74	62.1 Å²	62.1	40%	0.396	35%	0.35	S	S	.	.	S	Bend	trans	-74.1	-28.9	173.4	62	-40.4	0	0	0	112.9	N392 W401	N392-D414 PolarHBondContact ND2-O 2.71Å; W401-D414 PolarHBondContact NE1-OD2 3.36Å
415	M	95.2	Very high	96.1	Very high	21 Å²	21	61.4 Å²	61.4	10%	0.103	34%	0.343	C	S	.	.	S	Bend	trans	-125.9	133.2	169.8	-62.2	-176	61	0	0	109.6	N392 F393 W402	N392-M415 HydrophobicContact CB-CB 4.5Å; N392-M415 HydrophobicContact CB-CE 4.14Å; N392-M415 HydrophobicContact CB-CG 3.91Å; N392-M415 VanDerWaalsContact O-CE 3.23Å; N392-M415 WeakPolarHBondContact O-CE 3.43Å; F393-M415 HydrophobicContact CD1-CE 3.73Å; F393-M415 HydrophobicContact CE1-CE 3.91Å; F393-M415 HydrophobicContact CG-CE 4.24Å; W402-M415 HydrophobicContact CB-CB 4.06Å; W402-M415 HydrophobicContact CB-CE 4.23Å; W402-M415 HydrophobicContact CB-SD 4.38Å; W402-M415 HydrophobicContact CG-CB 4.31Å; W402-M415 PolarHBondContact NE1-O 3.11Å
416	Y	95.5	Very high	96.1	Very high	150 Å²	150	61.5 Å²	61.5	59%	0.588	35%	0.346	S	S	*	.			trans	-156.2	143.7	176.3	55.4	-89.2	0	0	0	110.9	F393 G413 V418	F393-Y416 WeakPolarHBondContact CE2-O 3.47Å; G413-Y416 WeakPolarHBondContact O-CD1 3.46Å; Y416-V418 HydrophobicContact CD2-CG2 4.22Å; Y416-V418 HydrophobicContact CE2-CG2 3.97Å
417	P	95.6	Very high	96.1	Very high	14 Å²	14	63 Å²	63	9%	0.091	36%	0.361	C	S	.	.			trans	-72	134.8	176.9	28	-32.9	0	0	0	111.1	V381 E385 F393 W402 G422 K423	V381-P417 HydrophobicContact CG2-CB 4.2Å; E385-P417 HydrophobicContact CG-CB 3.97Å; E385-P417 WeakPolarHBondContact OE1-CA 3.42Å; E385-P417 WeakPolarHBondContact OE1-CB 3.48Å; F393-P417 HydrophobicContact CE2-CB 4.43Å; W402-P417 HydrophobicContact CZ2-CG 4.03Å; P417-G422 WeakPolarHBondContact CG-O 3.39Å; P417-K423 HydrophobicContact CG-CG 4.44Å
418	V	95.1	Very high	96.1	Very high	84 Å²	84	67.7 Å²	67.7	51%	0.509	39%	0.386	S	S	.	.			trans	-96	-34.1	178	-177.9	0	0	0	0	110.5	E385 Y416 K423	E385-V418 PolarHBondContact OE1-N 2.92Å; E385-V418 PolarHBondContact OE2-N 3.46Å; Y416-V418 HydrophobicContact CD2-CG2 4.22Å; Y416-V418 HydrophobicContact CE2-CG2 3.97Å; V418-K423 VanDerWaalsContact O-CE 3.23Å; V418-K423 WeakPolarHBondContact O-CE 3.45Å; V418-K423 PolarHBondContact O-NZ 3.27Å; V418-K423 VanDerWaalsContact O-NZ 3.16Å
419	S	95.4	Very high	96.2	Very high	13 Å²	13	65 Å²	65	9%	0.091	37%	0.37	C	S	.	.	S	Bend	trans	-69.2	153.9	-178.8	81.3	0	0	0	0	112.3	A384 E385 P421 G422 K423	A384-S419 PolarHBondContact O-OG 3.42Å; E385-S419 WeakPolarHBondContact OE1-CA 3.44Å; E385-S419 WeakPolarHBondContact OE1-CB 3.27Å; E385-S419 PolarHBondContact OE1-N 3.48Å; E385-S419 PolarHBondContact OE1-OG 3.32Å; E385-S419 PolarHBondContact OE2-N 2.9Å; S419-P421 WeakPolarHBondContact OG-CD 3.3Å; S419-P421 WeakPolarHBondContact OG-CG 3.39Å; S419-G422 PolarHBondContact O-N 2.96Å; S419-G422 PolarHBondContact OG-N 3.3Å; S419-K423 VanDerWaalsContact O-CG 3.31Å; S419-K423 WeakPolarHBondContact O-CG 3.38Å; S419-K423 PolarHBondContact O-N 2.93Å
420	V	96	Very high	96.2	Very high	108 Å²	108	63.1 Å²	63.1	66%	0.655	36%	0.359	S	S	*	.	H	α-helix	trans	-58	-50	172.7	-177.8	0	0	0	0	112.2	G422 K423 I424	V420-G422 VanDerWaalsContact C-N 3.34Å; V420-G422 PolarHBondContact O-N 2.78Å; V420-K423 PolarHBondContact O-N 2.85Å; V420-I424 HydrophobicContact CG1-CD1 4.27Å; V420-I424 WeakPolarHBondContact O-CG1 3.35Å; V420-I424 PolarHBondContact O-N 2.72Å; V420-I424 VanDerWaalsContact O-N 3.1Å
421	P	96.4	Very high	96.2	Very high	70 Å²	70	64.6 Å²	64.6	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-40	177.7	22.2	-32.3	0	0	0	112.5	A384 S419 K423 I424 I425	A384-P421 HydrophobicContact CB-CB 4.28Å; A384-P421 HydrophobicContact CB-CG 4.35Å; S419-P421 WeakPolarHBondContact OG-CD 3.3Å; S419-P421 WeakPolarHBondContact OG-CG 3.39Å; P421-K423 VanDerWaalsContact C-N 3.33Å; P421-K423 PolarHBondContact O-N 3.43Å; P421-I424 PolarHBondContact O-N 3.25Å; P421-I425 WeakPolarHBondContact O-CD1 3.43Å; P421-I425 VanDerWaalsContact O-CG1 3.28Å; P421-I425 WeakPolarHBondContact O-CG1 3.49Å; P421-I425 PolarHBondContact O-N 3.32Å
422	G	96.6	Very high	96.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-39.7	175.9	0	0	0	0	0	112.7	P417 S419 V420 I425 G426	P417-G422 WeakPolarHBondContact CG-O 3.39Å; S419-G422 PolarHBondContact O-N 2.96Å; S419-G422 PolarHBondContact OG-N 3.3Å; V420-G422 VanDerWaalsContact C-N 3.34Å; V420-G422 PolarHBondContact O-N 2.78Å; G422-I425 PolarHBondContact O-N 3.39Å; G422-G426 PolarHBondContact O-N 3.44Å
423	K	96.8	Very high	96.2	Very high	120 Å²	120	56.7 Å²	56.7	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-40.4	174.6	-72.8	170	-177.6	168.2	0	112.8	P417 V418 S419 V420 P421 G426 A427	P417-K423 HydrophobicContact CG-CG 4.44Å; V418-K423 VanDerWaalsContact O-CE 3.23Å; V418-K423 WeakPolarHBondContact O-CE 3.45Å; V418-K423 PolarHBondContact O-NZ 3.27Å; V418-K423 VanDerWaalsContact O-NZ 3.16Å; S419-K423 VanDerWaalsContact O-CG 3.31Å; S419-K423 WeakPolarHBondContact O-CG 3.38Å; S419-K423 PolarHBondContact O-N 2.93Å; V420-K423 PolarHBondContact O-N 2.85Å; P421-K423 VanDerWaalsContact C-N 3.33Å; P421-K423 PolarHBondContact O-N 3.43Å; K423-G426 PolarHBondContact O-N 3.1Å; K423-A427 PolarHBondContact O-N 2.94Å
424	I	97.9	Very high	96.3	Very high	101 Å²	101	58 Å²	58	52%	0.518	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-45.3	174.8	-64.9	169.3	0	0	0	110.1	V420 P421 G426 A427 L428	V420-I424 HydrophobicContact CG1-CD1 4.27Å; V420-I424 WeakPolarHBondContact O-CG1 3.35Å; V420-I424 PolarHBondContact O-N 2.72Å; V420-I424 VanDerWaalsContact O-N 3.1Å; P421-I424 PolarHBondContact O-N 3.25Å; I424-G426 VanDerWaalsContact C-N 3.31Å; I424-G426 PolarHBondContact O-N 3.33Å; I424-A427 PolarHBondContact O-N 3.13Å; I424-L428 HydrophobicContact CG2-CD1 4.32Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 3.17Å
425	I	97.7	Very high	96.3	Very high	27 Å²	27	59.7 Å²	59.7	14%	0.138	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-42.8	175.7	-67.7	160.3	0	0	0	110.5	F377 L380 V381 A384 P421 G422 A427 L428 C429	F377-I425 HydrophobicContact CD1-CG2 4.06Å; L380-I425 HydrophobicContact CB-CD1 4Å; L380-I425 HydrophobicContact CB-CG1 4.36Å; L380-I425 HydrophobicContact CB-CG2 3.94Å; V381-I425 HydrophobicContact CB-CG2 4.28Å; A384-I425 HydrophobicContact CB-CD1 3.71Å; P421-I425 WeakPolarHBondContact O-CD1 3.43Å; P421-I425 VanDerWaalsContact O-CG1 3.28Å; P421-I425 WeakPolarHBondContact O-CG1 3.49Å; P421-I425 PolarHBondContact O-N 3.32Å; G422-I425 PolarHBondContact O-N 3.39Å; I425-A427 PolarHBondContact O-N 3.07Å; I425-L428 PolarHBondContact O-N 3.37Å; I425-C429 VanDerWaalsContact O-CB 3.25Å; I425-C429 WeakPolarHBondContact O-CB 3.29Å; I425-C429 PolarHBondContact O-N 3.01Å
426	G	97	Very high	96.2	Very high	12 Å²	12	59.7 Å²	59.7	12%	0.124	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-42.5	174.9	0	0	0	0	0	113.4	G422 K423 I424 C429 C430	G422-G426 PolarHBondContact O-N 3.44Å; K423-G426 PolarHBondContact O-N 3.1Å; I424-G426 VanDerWaalsContact C-N 3.31Å; I424-G426 PolarHBondContact O-N 3.33Å; G426-C429 WeakPolarHBondContact O-CB 3.43Å; G426-C429 PolarHBondContact O-N 2.88Å; G426-C430 PolarHBondContact O-N 2.9Å
427	A	96.4	Very high	96.1	Very high	56 Å²	56	54.6 Å²	54.6	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-45.2	175.6	0	0	0	0	0	111.9	K423 I424 I425 C430 I431	K423-A427 PolarHBondContact O-N 2.94Å; I424-A427 PolarHBondContact O-N 3.13Å; I425-A427 PolarHBondContact O-N 3.07Å; A427-C430 PolarHBondContact O-N 3.19Å; A427-I431 WeakPolarHBondContact O-CG1 3.31Å; A427-I431 PolarHBondContact O-N 2.97Å
428	L	97.3	Very high	95.9	Very high	97 Å²	97	56.5 Å²	56.5	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-39.6	175.7	-67.6	174.7	0	0	0	112.2	F377 I424 I425 C430 I431 C432	F377-L428 HydrophobicContact CE1-CB 4.09Å; I424-L428 HydrophobicContact CG2-CD1 4.32Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 3.17Å; I425-L428 PolarHBondContact O-N 3.37Å; L428-C430 PolarHBondContact O-N 3.13Å; L428-I431 PolarHBondContact O-N 3.22Å; L428-C432 VanDerWaalsContact O-CB 3.27Å; L428-C432 WeakPolarHBondContact O-CB 3.43Å; L428-C432 PolarHBondContact O-N 3.36Å
429	C	97.7	Very high	95.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-43.9	176.6	-177.4	0	0	0	0	111.6	F377 W402 T406 M407 I425 G426 G433	F377-C429 HydrophobicContact CB-CB 4.2Å; F377-C429 HydrophobicContact CD1-CB 3.72Å; F377-C429 HydrophobicContact CD2-CB 4.06Å; F377-C429 HydrophobicContact CE1-CB 4.05Å; F377-C429 HydrophobicContact CE2-CB 4.39Å; F377-C429 HydrophobicContact CG-CB 3.73Å; F377-C429 HydrophobicContact CZ-CB 4.38Å; W402-C429 HydrophobicContact CH2-CB 4.48Å; T406-C429 HydrophobicContact CG2-CB 4.29Å; M407-C429 VanDerWaalsContact CG-SG 3.54Å; I425-C429 VanDerWaalsContact O-CB 3.25Å; I425-C429 WeakPolarHBondContact O-CB 3.29Å; I425-C429 PolarHBondContact O-N 3.01Å; G426-C429 WeakPolarHBondContact O-CB 3.43Å; G426-C429 PolarHBondContact O-N 2.88Å; C429-G433 PolarHBondContact O-N 3.49Å
430	C	96.2	Very high	95.2	Very high	52 Å²	52	58.1 Å²	58.1	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-49.8	177.3	-176.1	0	0	0	0	111.7	T406 G426 A427 L428 C432 G433 V434	T406-C430 HydrophobicContact CG2-CB 4.49Å; G426-C430 PolarHBondContact O-N 2.9Å; A427-C430 PolarHBondContact O-N 3.19Å; L428-C430 PolarHBondContact O-N 3.13Å; C430-C432 VanDerWaalsContact C-N 3.35Å; C430-C432 PolarHBondContact O-N 3.06Å; C430-G433 PolarHBondContact O-N 3Å; C430-V434 WeakPolarHBondContact O-CG2 3.29Å; C430-V434 PolarHBondContact O-N 3.08Å; C430-V434 VanDerWaalsContact O-N 3.08Å
431	I	96.3	Very high	95	Very high	106 Å²	106	56.7 Å²	56.7	54%	0.544	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-46.4	178.7	-64.3	167.6	0	0	0	110.6	A427 L428 V434 L435	A427-I431 WeakPolarHBondContact O-CG1 3.31Å; A427-I431 PolarHBondContact O-N 2.97Å; L428-I431 PolarHBondContact O-N 3.22Å; I431-V434 PolarHBondContact O-N 3.44Å; I431-L435 HydrophobicContact CG2-CD1 4.08Å; I431-L435 WeakPolarHBondContact O-CG 3.44Å; I431-L435 PolarHBondContact O-N 2.72Å; I431-L435 VanDerWaalsContact O-N 3.14Å
432	C	96.2	Very high	94.8	Very high	40 Å²	40	57 Å²	57	27%	0.27	33%	0.325	S	S	.	.	H	α-helix	trans	-62.7	-43.7	178.7	-173.4	0	0	0	0	111.9	F377 L428 C430 V434 L435 V436	F377-C432 HydrophobicContact CE2-CB 3.64Å; F377-C432 HydrophobicContact CZ-CB 3.71Å; L428-C432 VanDerWaalsContact O-CB 3.27Å; L428-C432 WeakPolarHBondContact O-CB 3.43Å; L428-C432 PolarHBondContact O-N 3.36Å; C430-C432 VanDerWaalsContact C-N 3.35Å; C430-C432 PolarHBondContact O-N 3.06Å; C432-V434 PolarHBondContact O-N 3.21Å; C432-L435 PolarHBondContact O-N 2.91Å; C432-V436 VanDerWaalsContact O-CG2 3.3Å; C432-V436 WeakPolarHBondContact O-CG2 3.49Å; C432-V436 PolarHBondContact O-N 3.13Å
433	G	96.1	Very high	94.4	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-46.9	177.9	0	0	0	0	0	113.2	M407 C429 C430 L435 V436 I437	M407-G433 CarbonylContact O-C 3.58Å; M407-G433 WeakPolarHBondContact O-CA 3.39Å; C429-G433 PolarHBondContact O-N 3.49Å; C430-G433 PolarHBondContact O-N 3Å; G433-L435 PolarHBondContact O-N 3.36Å; G433-V436 PolarHBondContact O-N 3.39Å; G433-I437 WeakPolarHBondContact O-CG1 3.31Å; G433-I437 PolarHBondContact O-N 3.19Å
434	V	95.7	Very high	94	Very high	73 Å²	73	56.8 Å²	56.8	44%	0.442	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.3	174.1	0	0	0	0	111.2	T409 C430 I431 C432 I437 A438	T409-V434 HydrophobicContact CG2-CG2 3.63Å; C430-V434 WeakPolarHBondContact O-CG2 3.29Å; C430-V434 PolarHBondContact O-N 3.08Å; C430-V434 VanDerWaalsContact O-N 3.08Å; I431-V434 PolarHBondContact O-N 3.44Å; C432-V434 PolarHBondContact O-N 3.21Å; V434-I437 PolarHBondContact O-N 3.13Å; V434-A438 WeakPolarHBondContact O-CB 3.21Å; V434-A438 PolarHBondContact O-N 3.5Å
435	L	94.9	Very high	93.7	Very high	110 Å²	110	56 Å²	56	58%	0.576	33%	0.328	S	S	*	.	H	α-helix	trans	-62.8	-43.7	178.3	-69.6	172.3	0	0	0	112.2	I431 C432 G433 I437 A438 L439	I431-L435 HydrophobicContact CG2-CD1 4.08Å; I431-L435 WeakPolarHBondContact O-CG 3.44Å; I431-L435 PolarHBondContact O-N 2.72Å; I431-L435 VanDerWaalsContact O-N 3.14Å; C432-L435 PolarHBondContact O-N 2.91Å; G433-L435 PolarHBondContact O-N 3.36Å; L435-I437 PolarHBondContact O-N 3.41Å; L435-A438 PolarHBondContact O-N 3.23Å; L435-L439 WeakPolarHBondContact O-CG 3.33Å
436	V	93.4	Very high	93.3	Very high	20 Å²	20	59.1 Å²	59.1	12%	0.121	35%	0.346	C	S	.	.	H	α-helix	trans	-63.4	-42	179.5	168.1	0	0	0	0	111.4	L366 F369 C432 G433 P440	L366-V436 HydrophobicContact CD1-CG1 4.34Å; F369-V436 HydrophobicContact CB-CG1 3.62Å; F369-V436 HydrophobicContact CB-CG2 4.4Å; C432-V436 VanDerWaalsContact O-CG2 3.3Å; C432-V436 WeakPolarHBondContact O-CG2 3.49Å; C432-V436 PolarHBondContact O-N 3.13Å; G433-V436 PolarHBondContact O-N 3.39Å; V436-P440 WeakPolarHBondContact O-CD 3.24Å
437	I	92.8	Very high	92.9	Very high	43 Å²	43	59.9 Å²	59.9	22%	0.221	35%	0.347	C	S	.	.	H	α-helix	trans	-74.3	-35	-179.7	-68.4	174.5	0	0	0	111.5	L366 M407 T408 G433 V434 L435 L439 P440 I441	L366-I437 HydrophobicContact CD1-CG1 4.49Å; M407-I437 WeakPolarHBondContact O-CD1 3.46Å; T408-I437 HydrophobicContact CG2-CD1 4.15Å; G433-I437 WeakPolarHBondContact O-CG1 3.31Å; G433-I437 PolarHBondContact O-N 3.19Å; V434-I437 PolarHBondContact O-N 3.13Å; L435-I437 PolarHBondContact O-N 3.41Å; I437-L439 VanDerWaalsContact C-N 3.31Å; I437-L439 PolarHBondContact O-N 3.26Å; I437-P440 WeakPolarHBondContact O-CD 3.45Å; I437-I441 HydrophobicContact CG2-CD1 3.34Å; I437-I441 HydrophobicContact CG2-CG1 4.24Å; I437-I441 WeakPolarHBondContact O-CG1 3.31Å
438	A	92.8	Very high	92.4	Very high	54 Å²	54	60.4 Å²	60.4	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-25.5	-176.7	0	0	0	0	0	114.3	V434 L435 P442	V434-A438 WeakPolarHBondContact O-CB 3.21Å; V434-A438 PolarHBondContact O-N 3.5Å; L435-A438 PolarHBondContact O-N 3.23Å; A438-P442 WeakPolarHBondContact O-CD 3.18Å; A438-P442 WeakPolarHBondContact O-CG 3.17Å
439	L	88.4	Confident	92	Very high	123 Å²	123	57 Å²	57	64%	0.644	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-49.8	-176.6	-63	170	0	0	0	113.5	L435 I437	L435-L439 WeakPolarHBondContact O-CG 3.33Å; I437-L439 VanDerWaalsContact C-N 3.31Å; I437-L439 PolarHBondContact O-N 3.26Å
440	P	88	Confident	91.4	Very high	8 Å²	8	61.3 Å²	61.3	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-83.2	-26.8	-173.4	-17.7	36.4	0	0	0	113.6	L366 V436 I437 I443 I444	L366-P440 HydrophobicContact CB-CB 4.2Å; L366-P440 HydrophobicContact CB-CG 4.01Å; L366-P440 HydrophobicContact CD1-CG 3.99Å; V436-P440 WeakPolarHBondContact O-CD 3.24Å; I437-P440 WeakPolarHBondContact O-CD 3.45Å; P440-I443 WeakPolarHBondContact O-CB 3.44Å; P440-I443 PolarHBondContact O-N 3.08Å; P440-I444 HydrophobicContact CB-CD1 4.47Å; P440-I444 WeakPolarHBondContact O-CG1 3.36Å; P440-I444 PolarHBondContact O-N 2.69Å
441	I	90.1	Very high	90.7	Very high	78 Å²	78	62.1 Å²	62.1	40%	0.4	34%	0.343	S	S	.	.	H	α-helix	trans	-58	-49.6	-176.8	-71.3	-179.2	0	0	0	112.3	I437 I443 I444 V445	I437-I441 HydrophobicContact CG2-CD1 3.34Å; I437-I441 HydrophobicContact CG2-CG1 4.24Å; I437-I441 WeakPolarHBondContact O-CG1 3.31Å; I441-I443 PolarHBondContact O-N 2.68Å; I441-I444 PolarHBondContact O-N 3.47Å; I441-I444 VanDerWaalsContact O-N 3.16Å; I441-V445 HydrophobicContact CG2-CG2 4Å; I441-V445 WeakPolarHBondContact O-CB 3.1Å; I441-V445 VanDerWaalsContact O-CG2 3.29Å; I441-V445 WeakPolarHBondContact O-CG2 3.39Å; I441-V445 PolarHBondContact O-N 3.45Å
442	P	91.8	Very high	90.2	Very high	76 Å²	76	61.5 Å²	61.5	49%	0.494	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-34.6	178.6	-26.5	35.7	0	0	0	113.4	A438 V445 N446	A438-P442 WeakPolarHBondContact O-CD 3.18Å; A438-P442 WeakPolarHBondContact O-CG 3.17Å; P442-V445 PolarHBondContact O-N 2.78Å; P442-N446 WeakPolarHBondContact O-CB 3.47Å; P442-N446 PolarHBondContact O-N 3.33Å
443	I	88.9	Confident	89.6	Confident	86 Å²	86	65 Å²	65	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-49.3	177	-57.7	174.1	0	0	0	109.6	E362 P440 I441 V445 N446 N447	E362-I443 HydrophobicContact CG-CG2 3.99Å; P440-I443 WeakPolarHBondContact O-CB 3.44Å; P440-I443 PolarHBondContact O-N 3.08Å; I441-I443 PolarHBondContact O-N 2.68Å; I443-V445 VanDerWaalsContact C-N 3.32Å; I443-V445 PolarHBondContact O-N 2.72Å; I443-N446 PolarHBondContact O-N 3.48Å; I443-N447 PolarHBondContact O-N 2.83Å
444	I	89.2	Confident	88.8	Confident	30 Å²	30	67.1 Å²	67.1	15%	0.154	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-41.4	177.7	-63.3	162.6	0	0	0	110.9	T355 L363 P440 I441 N447 F448	T355-I444 HydrophobicContact CG2-CG2 4.49Å; L363-I444 HydrophobicContact CD2-CD1 3.57Å; L363-I444 HydrophobicContact CG-CD1 4Å; P440-I444 HydrophobicContact CB-CD1 4.47Å; P440-I444 WeakPolarHBondContact O-CG1 3.36Å; P440-I444 PolarHBondContact O-N 2.69Å; I441-I444 PolarHBondContact O-N 3.47Å; I441-I444 VanDerWaalsContact O-N 3.16Å; I444-N447 PolarHBondContact O-N 2.9Å; I444-F448 WeakPolarHBondContact O-CB 3.39Å; I444-F448 PolarHBondContact O-N 3.49Å
445	V	90.8	Very high	88.1	Confident	84 Å²	84	65.9 Å²	65.9	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-41.4	178.1	171.2	0	0	0	0	111.4	I441 P442 I443 F448 A449	I441-V445 HydrophobicContact CG2-CG2 4Å; I441-V445 WeakPolarHBondContact O-CB 3.1Å; I441-V445 VanDerWaalsContact O-CG2 3.29Å; I441-V445 WeakPolarHBondContact O-CG2 3.39Å; I441-V445 PolarHBondContact O-N 3.45Å; P442-V445 PolarHBondContact O-N 2.78Å; I443-V445 VanDerWaalsContact C-N 3.32Å; I443-V445 PolarHBondContact O-N 2.72Å; V445-F448 PolarHBondContact O-N 3.14Å; V445-A449 WeakPolarHBondContact O-CB 3.32Å; V445-A449 PolarHBondContact O-N 3.4Å
446	N	90	Very high	87.4	Confident	94 Å²	94	64.1 Å²	64.1	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-42.9	176.8	-170.6	44.9	0	0	0	111.3	P442 I443 A449 E450	P442-N446 WeakPolarHBondContact O-CB 3.47Å; P442-N446 PolarHBondContact O-N 3.33Å; I443-N446 PolarHBondContact O-N 3.48Å; N446-A449 PolarHBondContact O-N 3.37Å; N446-E450 WeakPolarHBondContact O-CB 3.37Å; N446-E450 PolarHBondContact O-N 3.42Å
447	N	87	Confident	86.8	Confident	28 Å²	28	68.7 Å²	68.7	15%	0.15	35%	0.347	C	S	.	.	H	α-helix	trans	-59.2	-48.1	173.1	-71.9	-9.7	0	0	0	110.9	T355 S359 I443 I444 A449 E450 F451	T355-N447 HydrophobicContact CG2-CB 4.09Å; S359-N447 PolarHBondContact OG-ND2 2.84Å; S359-N447 VanDerWaalsContact OG-ND2 3.07Å; I443-N447 PolarHBondContact O-N 2.83Å; I444-N447 PolarHBondContact O-N 2.9Å; N447-A449 VanDerWaalsContact C-N 3.32Å; N447-A449 PolarHBondContact O-N 2.96Å; N447-E450 PolarHBondContact O-N 3.49Å; N447-F451 VanDerWaalsContact O-CD2 3.24Å; N447-F451 WeakPolarHBondContact O-CD2 3.46Å; N447-F451 PolarHBondContact O-N 2.93Å
448	F	87.6	Confident	85.9	Confident	67 Å²	67	69.9 Å²	69.9	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-57.2	-46.4	176.3	-179.5	-99.6	0	0	0	111.5	S351 L352 T355 I444 V445 E450 F451 Y452	S351-F448 VanDerWaalsContact OG-CE2 3.3Å; S351-F448 WeakPolarHBondContact OG-CE2 3.31Å; L352-F448 HydrophobicContact CB-CE2 4.21Å; T355-F448 HydrophobicContact CG2-CB 3.92Å; I444-F448 WeakPolarHBondContact O-CB 3.39Å; I444-F448 PolarHBondContact O-N 3.49Å; V445-F448 PolarHBondContact O-N 3.14Å; F448-E450 VanDerWaalsContact C-N 3.35Å; F448-E450 PolarHBondContact O-N 3.17Å; F448-F451 PolarHBondContact O-N 2.81Å; F448-Y452 WeakPolarHBondContact O-CB 3.43Å; F448-Y452 PolarHBondContact O-N 2.79Å
449	A	88.6	Confident	85	Confident	26 Å²	26	69 Å²	69	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-38.8	-178.9	0	0	0	0	0	111.9	V445 N446 N447 R453	V445-A449 WeakPolarHBondContact O-CB 3.32Å; V445-A449 PolarHBondContact O-N 3.4Å; N446-A449 PolarHBondContact O-N 3.37Å; N447-A449 VanDerWaalsContact C-N 3.32Å; N447-A449 PolarHBondContact O-N 2.96Å; A449-R453 WeakPolarHBondContact O-CB 3.31Å; A449-R453 VanDerWaalsContact O-CG 3.25Å; A449-R453 WeakPolarHBondContact O-CG 3.23Å; A449-R453 PolarHBondContact O-N 3.37Å; A449-R453 PolarHBondContact O-NH1 3.22Å
450	E	83.8	Confident	84.6	Confident	90 Å²	90	68.8 Å²	68.8	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-51.2	173.8	-170.6	-175.9	157	0	0	111.8	N446 N447 F448 Y452 R453 N454	N446-E450 WeakPolarHBondContact O-CB 3.37Å; N446-E450 PolarHBondContact O-N 3.42Å; N447-E450 PolarHBondContact O-N 3.49Å; F448-E450 VanDerWaalsContact C-N 3.35Å; F448-E450 PolarHBondContact O-N 3.17Å; E450-Y452 VanDerWaalsContact C-N 3.34Å; E450-Y452 PolarHBondContact O-N 3.35Å; E450-R453 PolarHBondContact O-N 2.76Å; E450-N454 WeakPolarHBondContact O-CB 3.3Å; E450-N454 VanDerWaalsContact O-CG 3.26Å; E450-N454 PolarHBondContact O-N 3.33Å
451	F	83.3	Confident	84	Confident	68 Å²	68	71 Å²	71	30%	0.298	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-42.4	178.1	-85.4	-70.7	0	0	0	112.3	N358 N447 F448 N454 Q455	N358-F451 HydrophobicContact CB-CE2 3.79Å; N358-F451 HydrophobicContact CB-CZ 3.92Å; N447-F451 VanDerWaalsContact O-CD2 3.24Å; N447-F451 WeakPolarHBondContact O-CD2 3.46Å; N447-F451 PolarHBondContact O-N 2.93Å; F448-F451 PolarHBondContact O-N 2.81Å; F451-N454 PolarHBondContact O-N 3.26Å; F451-Q455 VanDerWaalsContact O-CB 3.31Å; F451-Q455 WeakPolarHBondContact O-CB 3.35Å; F451-Q455 PolarHBondContact O-N 2.89Å
452	Y	84	Confident	83.1	Confident	94 Å²	94	70 Å²	70	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.7	-176.6	-98.5	0	0	0	111.4	F448 E450 Q455 M456	F448-Y452 WeakPolarHBondContact O-CB 3.43Å; F448-Y452 PolarHBondContact O-N 2.79Å; E450-Y452 VanDerWaalsContact C-N 3.34Å; E450-Y452 PolarHBondContact O-N 3.35Å; Y452-Q455 PolarHBondContact O-N 2.75Å; Y452-M456 HydrophobicContact CD1-CG 4.44Å; Y452-M456 HydrophobicContact CD1-SD 4.34Å; Y452-M456 HydrophobicContact CE1-CG 4.01Å; Y452-M456 HydrophobicContact CE1-SD 3.5Å; Y452-M456 VanDerWaalsContact CE1-SD 3.5Å; Y452-M456 WeakPolarHBondContact O-CB 3.46Å; Y452-M456 PolarHBondContact O-N 2.67Å
453	R	84.3	Confident	82.4	Confident	114 Å²	114	71.4 Å²	71.4	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-46	175.1	-76.6	-172.1	-55.4	-92.3	1.9	111.8	A449 E450 Q455 M456 R457	A449-R453 WeakPolarHBondContact O-CB 3.31Å; A449-R453 VanDerWaalsContact O-CG 3.25Å; A449-R453 WeakPolarHBondContact O-CG 3.23Å; A449-R453 PolarHBondContact O-N 3.37Å; A449-R453 PolarHBondContact O-NH1 3.22Å; E450-R453 PolarHBondContact O-N 2.76Å; R453-Q455 VanDerWaalsContact C-N 3.34Å; R453-Q455 PolarHBondContact O-N 3.46Å; R453-M456 PolarHBondContact O-N 2.66Å; R453-R457 WeakPolarHBondContact O-CB 3.15Å; R453-R457 VanDerWaalsContact O-CG 3.28Å; R453-R457 WeakPolarHBondContact O-CG 3.45Å; R453-R457 PolarHBondContact O-N 2.88Å
454	N	80.1	Confident	81.6	Confident	43 Å²	43	70.2 Å²	70.2	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-41.6	179.7	-70.5	-9.5	0	0	0	111.2	E450 F451 R457 R458	E450-N454 WeakPolarHBondContact O-CB 3.3Å; E450-N454 VanDerWaalsContact O-CG 3.26Å; E450-N454 PolarHBondContact O-N 3.33Å; F451-N454 PolarHBondContact O-N 3.26Å; N454-R457 PolarHBondContact O-N 3.2Å; N454-R458 WeakPolarHBondContact O-CB 3.32Å; N454-R458 VanDerWaalsContact O-CG 3.28Å; N454-R458 WeakPolarHBondContact O-CG 3.25Å; N454-R458 PolarHBondContact O-N 2.98Å
455	Q	79.8	Confident	80.9	Confident	48 Å²	48	74 Å²	74	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-66.9	-45	177	-166.6	67.9	1.3	0	0	112	F451 Y452 R453 R457 R458 E459	F451-Q455 VanDerWaalsContact O-CB 3.31Å; F451-Q455 WeakPolarHBondContact O-CB 3.35Å; F451-Q455 PolarHBondContact O-N 2.89Å; Y452-Q455 PolarHBondContact O-N 2.75Å; R453-Q455 VanDerWaalsContact C-N 3.34Å; R453-Q455 PolarHBondContact O-N 3.46Å; Q455-R457 VanDerWaalsContact C-N 3.32Å; Q455-R457 PolarHBondContact O-N 3.12Å; Q455-R458 PolarHBondContact O-N 3.02Å; Q455-E459 WeakPolarHBondContact O-CG 3.44Å; Q455-E459 PolarHBondContact O-N 3.14Å
456	M	81.5	Confident	80	Confident	73 Å²	73	73.9 Å²	73.9	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-40.9	174.3	-80.2	-156.7	81	0	0	112.2	Y452 R453 E459 K460	Y452-M456 HydrophobicContact CD1-CG 4.44Å; Y452-M456 HydrophobicContact CD1-SD 4.34Å; Y452-M456 HydrophobicContact CE1-CG 4.01Å; Y452-M456 HydrophobicContact CE1-SD 3.5Å; Y452-M456 VanDerWaalsContact CE1-SD 3.5Å; Y452-M456 WeakPolarHBondContact O-CB 3.46Å; Y452-M456 PolarHBondContact O-N 2.67Å; R453-M456 PolarHBondContact O-N 2.66Å; M456-E459 PolarHBondContact O-N 3.09Å; M456-K460 WeakPolarHBondContact O-CB 3.34Å; M456-K460 WeakPolarHBondContact O-CG 3.44Å; M456-K460 PolarHBondContact O-N 3.15Å
457	R	79.4	Confident	79.4	Confident	115 Å²	115	72.1 Å²	72.1	43%	0.434	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-45.7	175.5	-77.5	176.2	178.6	-179.2	-2.2	111	R453 N454 Q455 K460 A461	R453-R457 WeakPolarHBondContact O-CB 3.15Å; R453-R457 VanDerWaalsContact O-CG 3.28Å; R453-R457 WeakPolarHBondContact O-CG 3.45Å; R453-R457 PolarHBondContact O-N 2.88Å; N454-R457 PolarHBondContact O-N 3.2Å; Q455-R457 VanDerWaalsContact C-N 3.32Å; Q455-R457 PolarHBondContact O-N 3.12Å; R457-K460 PolarHBondContact O-N 3.11Å; R457-A461 WeakPolarHBondContact O-CB 3.32Å; R457-A461 PolarHBondContact O-N 2.98Å
458	R	74.4	Confident	79.1	Confident	68 Å²	68	75.1 Å²	75.1	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-45.1	176.4	-76.1	174.3	172.9	176.6	-2.1	112.4	D180 N454 Q455 K460 A461 M462	D180-R458 IonicContact OD1-CZ 3.58Å; D180-R458 IonicContact OD1-NE 3.38Å; D180-R458 PolarHBondContact OD1-NE 3.13Å; D180-R458 VanDerWaalsContact OD1-NE 3.1Å; D180-R458 IonicContact OD1-NH2 3.92Å; D180-R458 PolarHBondContact OD1-NH2 3.01Å; N454-R458 WeakPolarHBondContact O-CB 3.32Å; N454-R458 VanDerWaalsContact O-CG 3.28Å; N454-R458 WeakPolarHBondContact O-CG 3.25Å; N454-R458 PolarHBondContact O-N 2.98Å; Q455-R458 PolarHBondContact O-N 3.02Å; R458-K460 VanDerWaalsContact C-N 3.34Å; R458-K460 PolarHBondContact O-N 2.9Å; R458-A461 PolarHBondContact O-N 3.33Å; R458-M462 HydrophobicContact CB-CE 4.08Å; R458-M462 WeakPolarHBondContact O-CB 3.34Å; R458-M462 WeakPolarHBondContact O-CE 3.39Å; R458-M462 WeakPolarHBondContact O-CG 3.1Å; R458-M462 PolarHBondContact O-N 3.13Å
459	E	73.9	Confident	78.6	Confident	37 Å²	37	75.6 Å²	75.6	17%	0.173	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-41.4	175.3	-74.4	-176.5	-168.9	0	0	112.5	T347 Q455 M456 K463	T347-E459 WeakPolarHBondContact CG2-OE1 3.42Å; Q455-E459 WeakPolarHBondContact O-CG 3.44Å; Q455-E459 PolarHBondContact O-N 3.14Å; M456-E459 PolarHBondContact O-N 3.09Å; E459-K463 VanDerWaalsContact O-CG 3.28Å; E459-K463 WeakPolarHBondContact O-CG 3.46Å; E459-K463 PolarHBondContact O-N 3.33Å; E459-K463 VanDerWaalsContact O-N 3.1Å
460	K	79.4	Confident	78	Confident	118 Å²	118	81.7 Å²	81.7	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-65.7	-44.6	174.9	-73.6	180	-179.3	-174.3	0	111.6	M456 R457 R458 K463 R464	M456-K460 WeakPolarHBondContact O-CB 3.34Å; M456-K460 WeakPolarHBondContact O-CG 3.44Å; M456-K460 PolarHBondContact O-N 3.15Å; R457-K460 PolarHBondContact O-N 3.11Å; R458-K460 VanDerWaalsContact C-N 3.34Å; R458-K460 PolarHBondContact O-N 2.9Å; K460-K463 PolarHBondContact O-N 2.97Å; K460-R464 WeakPolarHBondContact O-CG 3.31Å; K460-R464 PolarHBondContact O-N 3.11Å
461	A	76	Confident	77.9	Confident	55 Å²	55	78.5 Å²	78.5	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-63	-42.6	179	0	0	0	0	0	111.9	R457 R458 R464 R465	R457-A461 WeakPolarHBondContact O-CB 3.32Å; R457-A461 PolarHBondContact O-N 2.98Å; R458-A461 PolarHBondContact O-N 3.33Å; A461-R464 PolarHBondContact O-N 3.49Å; A461-R465 WeakPolarHBondContact O-CB 3.44Å; A461-R465 PolarHBondContact O-N 3.2Å
462	M	71.4	Confident	77.8	Confident	57 Å²	57	78.8 Å²	78.8	28%	0.281	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-47.1	173.6	-76.8	-174.2	-99.2	0	0	111.6	R458 R464 R465 D466	R458-M462 HydrophobicContact CB-CE 4.08Å; R458-M462 WeakPolarHBondContact O-CB 3.34Å; R458-M462 WeakPolarHBondContact O-CE 3.39Å; R458-M462 WeakPolarHBondContact O-CG 3.1Å; R458-M462 PolarHBondContact O-N 3.13Å; M462-R464 VanDerWaalsContact C-N 3.3Å; M462-R464 PolarHBondContact O-N 3.41Å; M462-R465 PolarHBondContact O-N 3.39Å; M462-D466 PolarHBondContact O-N 3.36Å
463	K	75.9	Confident	77.6	Confident	104 Å²	104	78.8 Å²	78.8	45%	0.452	38%	0.375	S	S	.	.	H	α-helix	trans	-58.5	-41.3	175.3	-73.8	171.5	-176	172.7	0	112.4	Q213 E459 K460 A467	Q213-K463 VanDerWaalsContact CD-CE 3.41Å; E459-K463 VanDerWaalsContact O-CG 3.28Å; E459-K463 WeakPolarHBondContact O-CG 3.46Å; E459-K463 PolarHBondContact O-N 3.33Å; E459-K463 VanDerWaalsContact O-N 3.1Å; K460-K463 PolarHBondContact O-N 2.97Å; K463-A467 WeakPolarHBondContact O-CB 3.43Å; K463-A467 PolarHBondContact O-N 2.95Å
464	R	72.4	Confident	77.4	Confident	61 Å²	61	79.4 Å²	79.4	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-45.9	176.6	-74.9	-178.1	-179.9	-175.8	4.5	111.7	K460 A461 M462 D466 A467 L468 E523 D524	K460-R464 WeakPolarHBondContact O-CG 3.31Å; K460-R464 PolarHBondContact O-N 3.11Å; A461-R464 PolarHBondContact O-N 3.49Å; M462-R464 VanDerWaalsContact C-N 3.3Å; M462-R464 PolarHBondContact O-N 3.41Å; R464-D466 PolarHBondContact O-N 3.42Å; R464-A467 PolarHBondContact O-N 3.14Å; R464-L468 WeakPolarHBondContact O-CB 3.31Å; R464-L468 PolarHBondContact O-N 3.01Å; R464-E523 IonicContact CZ-OE2 3.55Å; R464-E523 IonicContact NE-OE2 2.87Å; R464-E523 IonicContact NH2-OE2 3.93Å; R464-E523 PolarHBondContact NH2-OE2 2.9Å; R464-D524 IonicContact NH1-OD1 3.07Å; R464-D524 PolarHBondContact NH1-OD1 3.41Å; R464-D524 VanDerWaalsContact NH1-OD1 3.12Å
465	R	75.2	Confident	77.5	Confident	109 Å²	109	83.4 Å²	83.4	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-46.9	176.3	178.3	178.2	166.9	141.1	-4.6	111.3	A461 M462 A467 L468 L469	A461-R465 WeakPolarHBondContact O-CB 3.44Å; A461-R465 PolarHBondContact O-N 3.2Å; M462-R465 PolarHBondContact O-N 3.39Å; R465-A467 VanDerWaalsContact C-N 3.34Å; R465-A467 PolarHBondContact O-N 3.45Å; R465-L468 PolarHBondContact O-N 2.94Å; R465-L469 HydrophobicContact CG-CD1 4.09Å; R465-L469 HydrophobicContact CG-CG 4.46Å; R465-L469 WeakPolarHBondContact O-CB 3.31Å; R465-L469 WeakPolarHBondContact O-CG 3.48Å; R465-L469 PolarHBondContact O-N 2.89Å
466	D	72.1	Confident	77.5	Confident	82 Å²	82	86.2 Å²	86.2	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-63.4	-39.7	177.6	-76.9	-7.7	0	0	0	112.1	M462 R464 R470	M462-D466 PolarHBondContact O-N 3.36Å; R464-D466 PolarHBondContact O-N 3.42Å; D466-R470 VanDerWaalsContact O-CG 3.23Å; D466-R470 WeakPolarHBondContact O-CG 3.3Å; D466-R470 PolarHBondContact O-N 3.4Å; D466-R470 VanDerWaalsContact O-N 3.09Å
467	A	77.4	Confident	77.4	Confident	58 Å²	58	87.4 Å²	87.4	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-65	-41.3	174.9	0	0	0	0	0	112	K463 R464 R465 R470 A471	K463-A467 WeakPolarHBondContact O-CB 3.43Å; K463-A467 PolarHBondContact O-N 2.95Å; R464-A467 PolarHBondContact O-N 3.14Å; R465-A467 VanDerWaalsContact C-N 3.34Å; R465-A467 PolarHBondContact O-N 3.45Å; A467-R470 PolarHBondContact O-N 2.9Å; A467-A471 WeakPolarHBondContact O-CB 3.41Å; A467-A471 PolarHBondContact O-N 3.43Å
468	L	80.3	Confident	77.3	Confident	91 Å²	91	84.5 Å²	84.5	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-67.3	-44	178.5	-174.2	142.1	0	0	0	111.6	R464 R465 R470 A471 M472	R464-L468 WeakPolarHBondContact O-CB 3.31Å; R464-L468 PolarHBondContact O-N 3.01Å; R465-L468 PolarHBondContact O-N 2.94Å; L468-R470 PolarHBondContact O-N 2.88Å; L468-A471 WeakPolarHBondContact O-CB 3.4Å; L468-A471 PolarHBondContact O-N 3.23Å; L468-A471 VanDerWaalsContact O-N 3.15Å; L468-M472 HydrophobicContact CD2-CG 4.14Å; L468-M472 HydrophobicContact CD2-SD 3.51Å; L468-M472 VanDerWaalsContact CD2-SD 3.51Å; L468-M472 WeakPolarHBondContact O-CG 3.39Å; L468-M472 PolarHBondContact O-N 3.02Å
469	L	76.5	Confident	77.7	Confident	76 Å²	76	84.6 Å²	84.6	40%	0.398	42%	0.417	S	S	.	.	H	α-helix	trans	-59.4	-45.7	174.6	-72.5	172.9	0	0	0	111.3	R465 A471 M472 D473	R465-L469 HydrophobicContact CG-CD1 4.09Å; R465-L469 HydrophobicContact CG-CG 4.46Å; R465-L469 WeakPolarHBondContact O-CB 3.31Å; R465-L469 WeakPolarHBondContact O-CG 3.48Å; R465-L469 PolarHBondContact O-N 2.89Å; L469-A471 VanDerWaalsContact C-N 3.28Å; L469-A471 PolarHBondContact O-N 3.45Å; L469-M472 PolarHBondContact O-N 3.15Å; L469-D473 PolarHBondContact O-N 3.21Å
470	R	77.3	Confident	78	Confident	154 Å²	154	88.8 Å²	88.8	58%	0.581	44%	0.436	S	S	*	.	H	α-helix	trans	-60.6	-37.2	175	-70.5	173.1	-162.1	176.5	6.7	112.6	D466 A467 L468 M474	D466-R470 VanDerWaalsContact O-CG 3.23Å; D466-R470 WeakPolarHBondContact O-CG 3.3Å; D466-R470 PolarHBondContact O-N 3.4Å; D466-R470 VanDerWaalsContact O-N 3.09Å; A467-R470 PolarHBondContact O-N 2.9Å; L468-R470 PolarHBondContact O-N 2.88Å; R470-M474 WeakPolarHBondContact O-CB 3.29Å; R470-M474 PolarHBondContact O-N 2.83Å
471	A	81.2	Confident	78	Confident	23 Å²	23	88.2 Å²	88.2	19%	0.19	44%	0.438	C	S	.	.	H	α-helix	trans	-70.4	-39.5	176.6	0	0	0	0	0	112.4	A467 L468 L469 M474 K475 L517	A467-A471 WeakPolarHBondContact O-CB 3.41Å; A467-A471 PolarHBondContact O-N 3.43Å; L468-A471 WeakPolarHBondContact O-CB 3.4Å; L468-A471 PolarHBondContact O-N 3.23Å; L468-A471 VanDerWaalsContact O-N 3.15Å; L469-A471 VanDerWaalsContact C-N 3.28Å; L469-A471 PolarHBondContact O-N 3.45Å; A471-M474 PolarHBondContact O-N 3.3Å; A471-K475 WeakPolarHBondContact O-CB 3.47Å; A471-K475 PolarHBondContact O-N 2.93Å; A471-L517 HydrophobicContact CB-CD1 4.42Å; A471-L517 HydrophobicContact CB-CD2 3.64Å
472	M	80.9	Confident	78.1	Confident	75 Å²	75	91.3 Å²	91.3	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-64	-42.7	174.1	-70.9	-178	75.9	0	0	111.6	L468 L469 K475 R476	L468-M472 HydrophobicContact CD2-CG 4.14Å; L468-M472 HydrophobicContact CD2-SD 3.51Å; L468-M472 VanDerWaalsContact CD2-SD 3.51Å; L468-M472 WeakPolarHBondContact O-CG 3.39Å; L468-M472 PolarHBondContact O-N 3.02Å; L469-M472 PolarHBondContact O-N 3.15Å; M472-K475 PolarHBondContact O-N 3.37Å; M472-R476 WeakPolarHBondContact O-CG 3.43Å; M472-R476 PolarHBondContact O-N 3.06Å
473	D	79.7	Confident	78.4	Confident	94 Å²	94	91 Å²	91	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-64.2	-42.6	176.5	-71.9	-20.9	0	0	0	111.5	L469 K475 R476 L477	L469-D473 PolarHBondContact O-N 3.21Å; D473-K475 VanDerWaalsContact C-N 3.35Å; D473-K475 PolarHBondContact O-N 3.04Å; D473-R476 PolarHBondContact O-N 2.9Å; D473-L477 WeakPolarHBondContact O-CB 3.29Å; D473-L477 PolarHBondContact O-N 3.49Å
474	M	79.8	Confident	78.5	Confident	126 Å²	126	89.8 Å²	89.8	62%	0.621	45%	0.452	S	S	*	.	H	α-helix	trans	-62.6	-41.4	175	-169.8	-175.5	-50.2	0	0	111.9	R470 A471 L477 S478	R470-M474 WeakPolarHBondContact O-CB 3.29Å; R470-M474 PolarHBondContact O-N 2.83Å; A471-M474 PolarHBondContact O-N 3.3Å; M474-L477 PolarHBondContact O-N 2.74Å; M474-S478 WeakPolarHBondContact O-CB 3.42Å; M474-S478 PolarHBondContact O-N 3.39Å
475	K	83.1	Confident	78.6	Confident	128 Å²	128	89.1 Å²	89.1	56%	0.557	46%	0.46	S	S	*	.	H	α-helix	trans	-63.3	-46.9	175.7	-172.3	180	178.7	-173.3	0	111.1	A471 M472 D473 L477 S478 E479	A471-K475 WeakPolarHBondContact O-CB 3.47Å; A471-K475 PolarHBondContact O-N 2.93Å; M472-K475 PolarHBondContact O-N 3.37Å; D473-K475 VanDerWaalsContact C-N 3.35Å; D473-K475 PolarHBondContact O-N 3.04Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-L477 PolarHBondContact O-N 2.94Å; K475-S478 PolarHBondContact O-N 2.85Å; K475-S478 PolarHBondContact O-OG 2.88Å; K475-E479 VanDerWaalsContact CE-OE1 3.23Å; K475-E479 WeakPolarHBondContact CE-OE1 3.31Å; K475-E479 WeakPolarHBondContact O-CG 3.45Å; K475-E479 PolarHBondContact O-N 3.4Å
476	R	80.1	Confident	78.5	Confident	107 Å²	107	86.9 Å²	86.9	40%	0.404	47%	0.465	S	S	.	.	H	α-helix	trans	-58.8	-43.6	176	-76.8	176.6	175.1	178.9	-3.2	111.8	M472 D473 E479 Q480	M472-R476 WeakPolarHBondContact O-CG 3.43Å; M472-R476 PolarHBondContact O-N 3.06Å; D473-R476 PolarHBondContact O-N 2.9Å; R476-E479 PolarHBondContact O-N 2.99Å; R476-Q480 WeakPolarHBondContact O-CG 3.35Å; R476-Q480 PolarHBondContact O-N 3.02Å
477	L	78.8	Confident	78.6	Confident	98 Å²	98	89.6 Å²	89.6	51%	0.513	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-40.9	176.8	-175.5	63.9	0	0	0	111.7	D473 M474 K475 Q480 L481	D473-L477 WeakPolarHBondContact O-CB 3.29Å; D473-L477 PolarHBondContact O-N 3.49Å; M474-L477 PolarHBondContact O-N 2.74Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-L477 PolarHBondContact O-N 2.94Å; L477-Q480 PolarHBondContact O-N 3.07Å; L477-L481 HydrophobicContact CG-CD1 4.15Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 WeakPolarHBondContact O-CG 3.36Å; L477-L481 PolarHBondContact O-N 3.38Å
478	S	78.4	Confident	78	Confident	54 Å²	54	89.6 Å²	89.6	38%	0.378	48%	0.475	S	S	.	.	H	α-helix	trans	-65.1	-40.9	176.4	74	0	0	0	0	112.5	M474 K475 Q480 L481 M482	M474-S478 WeakPolarHBondContact O-CB 3.42Å; M474-S478 PolarHBondContact O-N 3.39Å; K475-S478 PolarHBondContact O-N 2.85Å; K475-S478 PolarHBondContact O-OG 2.88Å; S478-Q480 VanDerWaalsContact C-N 3.34Å; S478-L481 PolarHBondContact O-N 3.4Å; S478-M482 WeakPolarHBondContact O-CB 3.35Å; S478-M482 VanDerWaalsContact O-CG 3.23Å; S478-M482 WeakPolarHBondContact O-CG 3.42Å; S478-M482 PolarHBondContact O-N 2.85Å
479	E	82.4	Confident	77	Confident	70 Å²	70	92.4 Å²	92.4	33%	0.327	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-41.2	175.6	-72.4	170.1	178.2	0	0	110.9	R24 K475 R476 M482 A483	R24-E479 IonicContact CZ-OE2 2.99Å; R24-E479 IonicContact NH1-OE1 3.11Å; R24-E479 IonicContact NH1-OE2 3.09Å; R24-E479 PolarHBondContact NH1-OE2 3.19Å; R24-E479 IonicContact NH2-OE2 2.68Å; K475-E479 VanDerWaalsContact CE-OE1 3.23Å; K475-E479 WeakPolarHBondContact CE-OE1 3.31Å; K475-E479 WeakPolarHBondContact O-CG 3.45Å; K475-E479 PolarHBondContact O-N 3.4Å; R476-E479 PolarHBondContact O-N 2.99Å; E479-M482 PolarHBondContact O-N 3.05Å; E479-A483 WeakPolarHBondContact O-CB 3.28Å; E479-A483 PolarHBondContact O-N 3.07Å
480	Q	79.3	Confident	76	Confident	124 Å²	124	92.1 Å²	92.1	58%	0.579	50%	0.501	S	S	*	.	H	α-helix	trans	-64.1	-45.8	175.4	-75.8	176.2	-23.3	0	0	112.1	R476 L477 S478 M482 A483 T484	R476-Q480 WeakPolarHBondContact O-CG 3.35Å; R476-Q480 PolarHBondContact O-N 3.02Å; L477-Q480 PolarHBondContact O-N 3.07Å; S478-Q480 VanDerWaalsContact C-N 3.34Å; Q480-M482 PolarHBondContact O-N 2.79Å; Q480-A483 PolarHBondContact O-N 2.96Å; Q480-T484 WeakPolarHBondContact O-CG2 3.31Å; Q480-T484 PolarHBondContact O-N 3.05Å; Q480-T484 PolarHBondContact O-OG1 3.32Å
481	L	79.1	Confident	74.8	Confident	106 Å²	106	90.6 Å²	90.6	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-60.6	-44	176.8	-78.7	163.7	0	0	0	111.7	L477 S478 A483 T484 A485	L477-L481 HydrophobicContact CG-CD1 4.15Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 WeakPolarHBondContact O-CG 3.36Å; L477-L481 PolarHBondContact O-N 3.38Å; S478-L481 PolarHBondContact O-N 3.4Å; L481-A483 PolarHBondContact O-N 3.37Å; L481-T484 WeakPolarHBondContact CA-OG1 3.48Å; L481-T484 PolarHBondContact O-N 3.21Å; L481-T484 PolarHBondContact O-OG1 3.45Å; L481-A485 WeakPolarHBondContact O-CB 3.27Å; L481-A485 PolarHBondContact O-N 3.32Å
482	M	78.4	Confident	73	Confident	120 Å²	120	95.7 Å²	95.7	59%	0.591	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-40.3	176.8	-69.7	-67.2	-174	0	0	112.2	S478 E479 Q480 A485 A486 I505	S478-M482 WeakPolarHBondContact O-CB 3.35Å; S478-M482 VanDerWaalsContact O-CG 3.23Å; S478-M482 WeakPolarHBondContact O-CG 3.42Å; S478-M482 PolarHBondContact O-N 2.85Å; E479-M482 PolarHBondContact O-N 3.05Å; Q480-M482 PolarHBondContact O-N 2.79Å; M482-A485 PolarHBondContact O-N 3.29Å; M482-A486 WeakPolarHBondContact O-CB 3.35Å; M482-A486 PolarHBondContact O-N 2.98Å; M482-I505 HydrophobicContact CE-CG2 4.26Å
483	A	77.7	Confident	71.1	Confident	51 Å²	51	100.9 Å²	100.9	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-62.9	-45.9	174.8	0	0	0	0	0	111.7	E479 Q480 L481 A485 A486 E487	E479-A483 WeakPolarHBondContact O-CB 3.28Å; E479-A483 PolarHBondContact O-N 3.07Å; Q480-A483 PolarHBondContact O-N 2.96Å; L481-A483 PolarHBondContact O-N 3.37Å; A483-A485 VanDerWaalsContact C-N 3.33Å; A483-A485 PolarHBondContact O-N 3.5Å; A483-A486 PolarHBondContact O-N 3.49Å; A483-E487 WeakPolarHBondContact O-CG 3.5Å; A483-E487 PolarHBondContact O-N 3.1Å
484	T	78.1	Confident	69.1	Low	78 Å²	78	102.4 Å²	102.4	48%	0.479	57%	0.567	S	S	.	*	H	α-helix	trans	-65.3	-33.9	177.3	56.8	0	0	0	0	113.1	Q480 L481 E487 A488	Q480-T484 WeakPolarHBondContact O-CG2 3.31Å; Q480-T484 PolarHBondContact O-N 3.05Å; Q480-T484 PolarHBondContact O-OG1 3.32Å; L481-T484 WeakPolarHBondContact CA-OG1 3.48Å; L481-T484 PolarHBondContact O-N 3.21Å; L481-T484 PolarHBondContact O-OG1 3.45Å; T484-E487 PolarHBondContact O-N 2.95Å; T484-A488 WeakPolarHBondContact O-CB 3.3Å; T484-A488 PolarHBondContact O-N 3.12Å
485	A	74.4	Confident	67.1	Low	47 Å²	47	101.1 Å²	101.1	39%	0.388	57%	0.571	S	S	.	*	H	α-helix	trans	-68.7	-40.7	175.3	0	0	0	0	0	111.7	L481 M482 A483 A488 E489	L481-A485 WeakPolarHBondContact O-CB 3.27Å; L481-A485 PolarHBondContact O-N 3.32Å; M482-A485 PolarHBondContact O-N 3.29Å; A483-A485 VanDerWaalsContact C-N 3.33Å; A483-A485 PolarHBondContact O-N 3.5Å; A485-A488 PolarHBondContact O-N 3.48Å; A485-E489 PolarHBondContact O-N 3.37Å
486	A	73.9	Confident	65	Low	62 Å²	62	101.4 Å²	101.4	51%	0.512	58%	0.583	S	S	.	*	H	α-helix	trans	-64.3	-38	174.9	0	0	0	0	0	112.3	M482 A483 E489 G490	M482-A486 WeakPolarHBondContact O-CB 3.35Å; M482-A486 PolarHBondContact O-N 2.98Å; A483-A486 PolarHBondContact O-N 3.49Å; A486-E489 PolarHBondContact O-N 2.86Å; A486-G490 PolarHBondContact O-N 3.36Å
487	E	73.2	Confident	63	Low	140 Å²	140	105 Å²	105	65%	0.654	60%	0.604	S	S	*	*	H	α-helix	trans	-64.9	-40.8	172.7	-73.2	174.9	176.8	0	0	112.1	A483 T484 G490 T491	A483-E487 WeakPolarHBondContact O-CG 3.5Å; A483-E487 PolarHBondContact O-N 3.1Å; T484-E487 PolarHBondContact O-N 2.95Å; E487-G490 PolarHBondContact O-N 3.47Å; E487-T491 PolarHBondContact O-OG1 3.49Å
488	A	66	Low	60.9	Low	57 Å²	57	111.5 Å²	111.5	47%	0.471	62%	0.621	S	S	.	*	H	α-helix	trans	-64.9	-39.8	175.7	0	0	0	0	0	112.4	T484 A485 T491	T484-A488 WeakPolarHBondContact O-CB 3.3Å; T484-A488 PolarHBondContact O-N 3.12Å; A485-A488 PolarHBondContact O-N 3.48Å; A488-T491 PolarHBondContact O-N 3.14Å
489	E	59.5	Low	59	Low	151 Å²	151	119.8 Å²	119.8	71%	0.706	64%	0.644	S	S	*	*	H	α-helix	trans	-68.7	-31.6	175.2	-76	-173.7	165.5	0	0	112.7	A485 A486 T491 I492	A485-E489 PolarHBondContact O-N 3.37Å; A486-E489 PolarHBondContact O-N 2.86Å; E489-T491 PolarHBondContact O-N 3.02Å; E489-I492 PolarHBondContact O-N 2.87Å
490	G	53.8	Low	57	Low	70 Å²	70	124.4 Å²	124.4	72%	0.722	67%	0.666	S	S	*	*	H	α-helix	trans	-67.8	-14.8	176.3	0	0	0	0	0	115	A486 E487	A486-G490 PolarHBondContact O-N 3.36Å; E487-G490 PolarHBondContact O-N 3.47Å
491	T	53	Low	55	Low	122 Å²	122	122.2 Å²	122.2	75%	0.748	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-7.2	-175.9	-37.6	0	0	0	0	112.9	E487 A488 E489	E487-T491 PolarHBondContact O-OG1 3.49Å; A488-T491 PolarHBondContact O-N 3.14Å; E489-T491 PolarHBondContact O-N 3.02Å
492	I	43	Very low	53.1	Low	129 Å²	129	123 Å²	123	66%	0.662	68%	0.678	S	S	*	*	S	Bend	trans	-103.4	109.9	-176.5	-59.6	173.7	0	0	0	109.2	E489	E489-I492 PolarHBondContact O-N 2.87Å
493	K	41.7	Very low	51.1	Low	185 Å²	185	121 Å²	121	80%	0.804	68%	0.681	S	S	*	*			trans	-50.3	136.8	170.2	-80.7	-179.4	176.7	176	0	109.6	S495	K493-S495 VanDerWaalsContact C-N 3.29Å; K493-S495 PolarHBondContact O-N 2.96Å
494	P	36.5	Very low	49.2	Very low	126 Å²	126	126.6 Å²	126.6	82%	0.818	70%	0.698	S	S	*	*			trans	-75.9	80.2	-176.5	31.5	-33.5	0	0	0	110.4
495	S	38.1	Very low	47.5	Very low	99 Å²	99	128.2 Å²	128.2	69%	0.692	70%	0.702	S	S	*	*			trans	-96.9	104.3	161.2	59.5	0	0	0	0	108.7	K493 H497	K493-S495 VanDerWaalsContact C-N 3.29Å; K493-S495 PolarHBondContact O-N 2.96Å; S495-H497 PolarHBondContact O-N 3.28Å
496	V	40.5	Very low	45.7	Very low	134 Å²	134	134.3 Å²	134.3	81%	0.812	72%	0.723	S	S	*	*	S	Bend	trans	23.3	84.5	149.8	-169.4	0	0	0	0	114.8
497	H	36.7	Very low	43.8	Very low	183 Å²	183	138.4 Å²	138.4	85%	0.847	74%	0.736	S	S	*	*			trans	-168.8	48.3	151.6	-106.4	58.1	0	0	0	110.2	S495 R499	S495-H497 PolarHBondContact O-N 3.28Å; H497-R499 PolarHBondContact O-N 3.15Å; H497-R499 VanDerWaalsContact O-N 3.11Å
498	R	35.8	Very low	42	Very low	234 Å²	234	141.1 Å²	141.1	88%	0.883	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	75	179.3	-167.2	-174	-73.3	-175.5	-3.2	109.7
499	R	39.1	Very low	40.7	Very low	227 Å²	227	141.9 Å²	141.9	86%	0.857	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	-3.9	169.6	-109.3	169.1	-157.1	-168.4	5	118.1	H497	H497-R499 PolarHBondContact O-N 3.15Å; H497-R499 VanDerWaalsContact O-N 3.11Å
500	H	39.4	Very low	40	Very low	167 Å²	167	139 Å²	139	77%	0.773	75%	0.749	S	S	*	*	S	Bend	trans	-124.9	-5.2	-173.2	-82.3	-85.2	0	0	0	117.7
501	A	38.4	Very low	39.6	Very low	79 Å²	79	143.7 Å²	143.7	65%	0.653	75%	0.752	S	S	*	*	S	Bend	trans	-91.9	-20.5	-175.7	0	0	0	0	0	115	A503	A501-A503 PolarHBondContact O-N 2.77Å
502	T	38.9	Very low	39.2	Very low	122 Å²	122	141.9 Å²	141.9	75%	0.748	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-5.1	-173.7	15.3	0	0	0	0	115
503	A	35.7	Very low	39.3	Very low	79 Å²	79	138.3 Å²	138.3	65%	0.653	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-17.1	-177.7	0	0	0	0	0	114.2	A501	A501-A503 PolarHBondContact O-N 2.77Å
504	H	37	Very low	39.5	Very low	167 Å²	167	134.9 Å²	134.9	77%	0.773	71%	0.712	S	S	*	*	S	Bend	trans	-95.9	-8.5	-176	-86.9	-74.8	0	0	0	115.2
505	I	42.5	Very low	40.1	Very low	112 Å²	112	134.8 Å²	134.8	57%	0.574	70%	0.699	S	S	*	*	S	Bend	trans	-92.8	-20.5	-175.5	-60.8	174.9	0	0	0	111.9	M482 N507	M482-I505 HydrophobicContact CE-CG2 4.26Å; I505-N507 VanDerWaalsContact C-N 3.25Å; I505-N507 PolarHBondContact O-N 3.06Å
506	H	37.4	Very low	40.6	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.815	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	3.3	-175.1	-146.7	-86.4	0	0	0	115
507	N	34.6	Very low	40.9	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	5	-177.8	-96.1	-9.5	0	0	0	115.1	I505	I505-N507 VanDerWaalsContact C-N 3.25Å; I505-N507 PolarHBondContact O-N 3.06Å
508	F	35.5	Very low	41.4	Very low	197 Å²	197	135.8 Å²	135.8	86%	0.864	67%	0.671	S	S	*	*	S	Bend	trans	-108.7	-1.1	-175.9	-107.5	-89.7	0	0	0	116
509	G	38.2	Very low	42.2	Very low	73 Å²	73	128.8 Å²	128.8	75%	0.753	65%	0.649	S	S	*	*			trans	-98.3	77	169.5	0	0	0	0	0	110.5	E511	G509-E511 PolarHBondContact O-N 3.2Å
510	N	44.3	Very low	42.5	Very low	91 Å²	91	120.1 Å²	120.1	49%	0.487	63%	0.626	S	S	.	*			trans	-61.3	112.3	174.9	-163.2	-10	0	0	0	108	N512 S513	N510-N512 PolarHBondContact O-N 3.41Å; N510-N512 WeakPolarHBondContact OD1-CB 3.47Å; N510-N512 PolarHBondContact OD1-N 3.16Å; N510-N512 PolarHBondContact OD1-ND2 3.38Å; N510-S513 WeakPolarHBondContact O-CB 3.3Å; N510-S513 PolarHBondContact O-N 3.18Å
511	E	45.2	Very low	42.6	Very low	167 Å²	167	115 Å²	115	78%	0.78	61%	0.613	S	S	*	*	H	α-helix	trans	-47.5	-31.1	176.4	-133.2	-178.9	166.6	0	0	111.3	G509 S513 M514 K515	G509-E511 PolarHBondContact O-N 3.2Å; E511-S513 PolarHBondContact O-N 3.01Å; E511-M514 PolarHBondContact O-N 3.49Å; E511-K515 VanDerWaalsContact O-CB 3.28Å; E511-K515 WeakPolarHBondContact O-CB 3.35Å; E511-K515 PolarHBondContact O-N 3.17Å
512	N	44.9	Very low	42.8	Very low	84 Å²	84	113.8 Å²	113.8	45%	0.449	60%	0.599	S	S	.	*	H	α-helix	trans	-61.2	-33.2	174.2	-65.8	-48.9	0	0	0	114.4	N510 R516	N510-N512 PolarHBondContact O-N 3.41Å; N510-N512 WeakPolarHBondContact OD1-CB 3.47Å; N510-N512 PolarHBondContact OD1-N 3.16Å; N510-N512 PolarHBondContact OD1-ND2 3.38Å; N512-R516 WeakPolarHBondContact O-CB 3.47Å; N512-R516 WeakPolarHBondContact O-CG 3.35Å; N512-R516 PolarHBondContact O-N 2.85Å
513	S	44.9	Very low	43.1	Very low	55 Å²	55	112.1 Å²	112.1	39%	0.385	58%	0.583	S	S	.	*	H	α-helix	trans	-74	-41.3	178.7	-63	0	0	0	0	111.7	N510 E511 R516 L517	N510-S513 WeakPolarHBondContact O-CB 3.3Å; N510-S513 PolarHBondContact O-N 3.18Å; E511-S513 PolarHBondContact O-N 3.01Å; S513-R516 PolarHBondContact O-N 3.31Å; S513-L517 WeakPolarHBondContact O-CG 3.33Å; S513-L517 PolarHBondContact O-N 3.41Å
514	M	45.9	Very low	43.4	Very low	112 Å²	112	112.7 Å²	112.7	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-66.4	-38.7	172.9	-87.1	-90.9	-74.5	0	0	111.6	E511 L517 R518	E511-M514 PolarHBondContact O-N 3.49Å; M514-L517 PolarHBondContact O-N 3.38Å; M514-R518 PolarHBondContact O-N 3.08Å
515	K	49.9	Very low	43.6	Very low	124 Å²	124	112.7 Å²	112.7	54%	0.539	57%	0.573	S	S	.	*	H	α-helix	trans	-63.1	-45.2	173.9	-164	178.3	177.7	179	0	111.6	E511 L517 R518 E519	E511-K515 VanDerWaalsContact O-CB 3.28Å; E511-K515 WeakPolarHBondContact O-CB 3.35Å; E511-K515 PolarHBondContact O-N 3.17Å; K515-L517 VanDerWaalsContact C-N 3.31Å; K515-L517 PolarHBondContact O-N 3.26Å; K515-R518 PolarHBondContact O-N 2.8Å; K515-E519 WeakPolarHBondContact CE-OE1 3.43Å; K515-E519 WeakPolarHBondContact O-CB 3.23Å; K515-E519 VanDerWaalsContact O-CG 3.27Å; K515-E519 WeakPolarHBondContact O-CG 3.48Å; K515-E519 PolarHBondContact O-N 3.45Å
516	R	48.6	Very low	43.5	Very low	174 Å²	174	111.7 Å²	111.7	66%	0.657	57%	0.568	S	S	*	*	H	α-helix	trans	-60.5	-35.6	173.9	-76.2	173.7	-165.9	-171.5	5.4	113.4	N512 S513 A520	N512-R516 WeakPolarHBondContact O-CB 3.47Å; N512-R516 WeakPolarHBondContact O-CG 3.35Å; N512-R516 PolarHBondContact O-N 2.85Å; S513-R516 PolarHBondContact O-N 3.31Å; R516-A520 VanDerWaalsContact O-CB 3.28Å; R516-A520 WeakPolarHBondContact O-CB 3.43Å; R516-A520 PolarHBondContact O-N 3.11Å
517	L	46	Very low	43.6	Very low	83 Å²	83	106.4 Å²	106.4	44%	0.435	55%	0.545	S	S	.	.	H	α-helix	trans	-70.1	-39.4	175.4	-76.4	166.7	0	0	0	112.3	A471 S513 M514 K515 A520 A521	A471-L517 HydrophobicContact CB-CD1 4.42Å; A471-L517 HydrophobicContact CB-CD2 3.64Å; S513-L517 WeakPolarHBondContact O-CG 3.33Å; S513-L517 PolarHBondContact O-N 3.41Å; M514-L517 PolarHBondContact O-N 3.38Å; K515-L517 VanDerWaalsContact C-N 3.31Å; K515-L517 PolarHBondContact O-N 3.26Å; L517-A520 PolarHBondContact O-N 3.33Å; L517-A521 WeakPolarHBondContact O-CB 3.27Å; L517-A521 PolarHBondContact O-N 2.92Å
518	R	47.9	Very low	43.8	Very low	180 Å²	180	103.2 Å²	103.2	68%	0.679	52%	0.524	S	S	*	.	H	α-helix	trans	-67.3	-39.4	172.6	-73.8	-179.1	-179.2	166.8	0.4	111.8	M514 K515 A521 S522	M514-R518 PolarHBondContact O-N 3.08Å; K515-R518 PolarHBondContact O-N 2.8Å; R518-A521 PolarHBondContact O-N 3.37Å; R518-S522 WeakPolarHBondContact O-CB 3.2Å; R518-S522 PolarHBondContact O-N 2.97Å; R518-S522 PolarHBondContact O-OG 3.04Å
519	E	50.9	Low	43.8	Very low	87 Å²	87	95.7 Å²	95.7	41%	0.407	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-45.6	174.3	-73.9	166.1	178.8	0	0	110.7	K515 A521 S522 E523	K515-E519 WeakPolarHBondContact CE-OE1 3.43Å; K515-E519 WeakPolarHBondContact O-CB 3.23Å; K515-E519 VanDerWaalsContact O-CG 3.27Å; K515-E519 WeakPolarHBondContact O-CG 3.48Å; K515-E519 PolarHBondContact O-N 3.45Å; E519-A521 PolarHBondContact O-N 3.38Å; E519-S522 WeakPolarHBondContact CA-OG 3.43Å; E519-S522 PolarHBondContact O-N 3.36Å; E519-S522 PolarHBondContact O-OG 3.49Å; E519-E523 WeakPolarHBondContact O-CB 3.48Å; E519-E523 WeakPolarHBondContact O-CG 3.27Å; E519-E523 PolarHBondContact O-N 3.36Å
520	A	45.3	Very low	43.9	Very low	45 Å²	45	98.2 Å²	98.2	37%	0.372	49%	0.49	S	S	.	.	H	α-helix	trans	-62.1	-41	175.3	0	0	0	0	0	112.7	R516 L517 E523 D524	R516-A520 VanDerWaalsContact O-CB 3.28Å; R516-A520 WeakPolarHBondContact O-CB 3.43Å; R516-A520 PolarHBondContact O-N 3.11Å; L517-A520 PolarHBondContact O-N 3.33Å; A520-E523 PolarHBondContact O-N 3.24Å; A520-D524 PolarHBondContact O-N 3.43Å
521	A	42.9	Very low	43.8	Very low	61 Å²	61	98.2 Å²	98.2	50%	0.504	48%	0.484	S	S	.	.	H	α-helix	trans	-71.9	-32.4	176.3	0	0	0	0	0	113	L517 R518 E519	L517-A521 WeakPolarHBondContact O-CB 3.27Å; L517-A521 PolarHBondContact O-N 2.92Å; R518-A521 PolarHBondContact O-N 3.37Å; E519-A521 PolarHBondContact O-N 3.38Å
522	S	42.1	Very low	43.7	Very low	53 Å²	53	91.9 Å²	91.9	37%	0.371	45%	0.454	S	S	.	.	H	α-helix	trans	-73.9	-32.6	172.9	69.3	0	0	0	0	112.1	R518 E519 D524 K525 I526	R518-S522 WeakPolarHBondContact O-CB 3.2Å; R518-S522 PolarHBondContact O-N 2.97Å; R518-S522 PolarHBondContact O-OG 3.04Å; E519-S522 WeakPolarHBondContact CA-OG 3.43Å; E519-S522 PolarHBondContact O-N 3.36Å; E519-S522 PolarHBondContact O-OG 3.49Å; S522-D524 VanDerWaalsContact C-N 3.3Å; S522-D524 PolarHBondContact O-N 3.3Å; S522-K525 WeakPolarHBondContact O-CB 3.43Å; S522-K525 PolarHBondContact O-N 3.07Å; S522-K525 VanDerWaalsContact O-N 3.16Å; S522-I526 WeakPolarHBondContact O-CG1 3.31Å; S522-I526 PolarHBondContact O-N 3.31Å
523	E	44.5	Very low	43.3	Very low	87 Å²	87	93.1 Å²	93.1	41%	0.407	47%	0.466	S	S	.	.	H	α-helix	trans	-70.3	-26.1	175.2	-83.2	-167.2	-178.1	0	0	112.6	R464 E519 A520 K525 I526 L527	R464-E523 IonicContact CZ-OE2 3.55Å; R464-E523 IonicContact NE-OE2 2.87Å; R464-E523 IonicContact NH2-OE2 3.93Å; R464-E523 PolarHBondContact NH2-OE2 2.9Å; E519-E523 WeakPolarHBondContact O-CB 3.48Å; E519-E523 WeakPolarHBondContact O-CG 3.27Å; E519-E523 PolarHBondContact O-N 3.36Å; A520-E523 PolarHBondContact O-N 3.24Å; E523-K525 VanDerWaalsContact C-N 3.34Å; E523-I526 PolarHBondContact O-N 3.48Å; E523-L527 WeakPolarHBondContact O-CB 3.32Å; E523-L527 PolarHBondContact O-N 3.06Å
524	D	42.9	Very low	42.9	Very low	90 Å²	90	96.1 Å²	96.1	48%	0.481	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-33.7	169.2	-87.9	-2.9	0	0	0	111.6	R464 A520 S522 F528	R464-D524 IonicContact NH1-OD1 3.07Å; R464-D524 PolarHBondContact NH1-OD1 3.41Å; R464-D524 VanDerWaalsContact NH1-OD1 3.12Å; A520-D524 PolarHBondContact O-N 3.43Å; S522-D524 VanDerWaalsContact C-N 3.3Å; S522-D524 PolarHBondContact O-N 3.3Å; D524-F528 VanDerWaalsContact O-CB 3.29Å; D524-F528 WeakPolarHBondContact O-CB 3.33Å; D524-F528 PolarHBondContact O-N 3.33Å
525	K	41	Very low	42.5	Very low	168 Å²	168	91.4 Å²	91.4	73%	0.73	46%	0.456	S	S	*	.	H	α-helix	trans	-67.6	-39.9	170.1	-70.2	-173.8	174.8	-172.3	0	112.2	S522 E523 F528 A529	S522-K525 WeakPolarHBondContact O-CB 3.43Å; S522-K525 PolarHBondContact O-N 3.07Å; S522-K525 VanDerWaalsContact O-N 3.16Å; E523-K525 VanDerWaalsContact C-N 3.34Å; K525-F528 WeakPolarHBondContact O-CB 3.45Å; K525-F528 PolarHBondContact O-N 2.92Å; K525-A529 WeakPolarHBondContact O-CB 3.38Å; K525-A529 PolarHBondContact O-N 3.32Å
526	I	41.3	Very low	41.6	Very low	91 Å²	91	88.9 Å²	88.9	47%	0.467	45%	0.454	S	S	.	.	H	α-helix	trans	-69.6	-40.9	177.4	-63.9	165.5	0	0	0	110.8	S522 E523 F528 A529 E530	S522-I526 WeakPolarHBondContact O-CG1 3.31Å; S522-I526 PolarHBondContact O-N 3.31Å; E523-I526 PolarHBondContact O-N 3.48Å; I526-F528 PolarHBondContact O-N 2.85Å; I526-A529 PolarHBondContact O-N 3.45Å; I526-E530 HydrophobicContact CG2-CG 4.41Å; I526-E530 WeakPolarHBondContact O-CB 3.09Å; I526-E530 WeakPolarHBondContact O-CG 3.34Å; I526-E530 PolarHBondContact O-N 3.15Å
527	L	38.1	Very low	40.7	Very low	65 Å²	65	87.7 Å²	87.7	34%	0.34	46%	0.461	S	S	.	.	H	α-helix	trans	-66.2	-30.7	175.7	-134.2	101.1	0	0	0	111.3	E523 R531	E523-L527 WeakPolarHBondContact O-CB 3.32Å; E523-L527 PolarHBondContact O-N 3.06Å; L527-R531 WeakPolarHBondContact O-CB 3.26Å; L527-R531 PolarHBondContact O-N 2.64Å; L527-R531 VanDerWaalsContact O-N 3.15Å
528	F	40	Very low	40.1	Very low	81 Å²	81	87.9 Å²	87.9	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-69.7	-41.8	172.6	-150.1	-86.9	0	0	0	111.9	C140 D524 K525 I526 R531 F532	C140-F528 HydrophobicContact CB-CE1 3.64Å; C140-F528 HydrophobicContact CB-CZ 3.4Å; C140-F528 VanDerWaalsContact CB-CZ 3.4Å; C140-F528 VanDerWaalsContact SG-CZ 3.54Å; D524-F528 VanDerWaalsContact O-CB 3.29Å; D524-F528 WeakPolarHBondContact O-CB 3.33Å; D524-F528 PolarHBondContact O-N 3.33Å; K525-F528 WeakPolarHBondContact O-CB 3.45Å; K525-F528 PolarHBondContact O-N 2.92Å; I526-F528 PolarHBondContact O-N 2.85Å; F528-R531 WeakPolarHBondContact O-CB 3.32Å; F528-R531 PolarHBondContact O-N 2.87Å; F528-F532 HydrophobicContact CD1-CD2 4.31Å; F528-F532 AromaticContact CE1-CD2 3.92Å; F528-F532 HydrophobicContact CE1-CD2 3.92Å; F528-F532 HydrophobicContact CE1-CE2 4.1Å; F528-F532 HydrophobicContact CZ-CD2 4.26Å; F528-F532 AromaticContact CZ-CE2 3.96Å; F528-F532 HydrophobicContact CZ-CE2 3.96Å; F528-F532 PolarHBondContact O-N 3.42Å
529	A	35.6	Very low	39.2	Very low	38 Å²	38	83.6 Å²	83.6	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-68.8	-36.9	175.9	0	0	0	0	0	113	K525 I526 R531 F532	K525-A529 WeakPolarHBondContact O-CB 3.38Å; K525-A529 PolarHBondContact O-N 3.32Å; I526-A529 PolarHBondContact O-N 3.45Å; A529-R531 PolarHBondContact O-N 3.04Å; A529-F532 CarbonylContact O-C 3.52Å; A529-F532 VanDerWaalsContact O-C 3.32Å; A529-F532 PolarHBondContact O-N 2.7Å
530	E	40.3	Very low	38.2	Very low	126 Å²	126	85.3 Å²	85.3	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-70	-21.6	171.8	-76.5	-175.6	165.9	0	0	112.8	I526	I526-E530 HydrophobicContact CG2-CG 4.41Å; I526-E530 WeakPolarHBondContact O-CB 3.09Å; I526-E530 WeakPolarHBondContact O-CG 3.34Å; I526-E530 PolarHBondContact O-N 3.15Å
531	R	42.4	Very low	37.3	Very low	91 Å²	91	89 Å²	89	34%	0.343	50%	0.502	S	S	.	.	H	α-helix	trans	-80.6	-22.6	179.7	-163.5	171.1	-162.2	169.7	4.3	112.3	E176 L527 F528 A529	E176-R531 IonicContact OE1-NH2 2.74Å; E176-R531 PolarHBondContact OE1-NH2 3.03Å; E176-R531 VanDerWaalsContact OE1-NH2 3.15Å; E176-R531 IonicContact OE2-CZ 3.08Å; E176-R531 IonicContact OE2-NE 2.66Å; E176-R531 IonicContact OE2-NH2 2.67Å; E176-R531 PolarHBondContact OE2-NH2 3.4Å; L527-R531 WeakPolarHBondContact O-CB 3.26Å; L527-R531 PolarHBondContact O-N 2.64Å; L527-R531 VanDerWaalsContact O-N 3.15Å; F528-R531 WeakPolarHBondContact O-CB 3.32Å; F528-R531 PolarHBondContact O-N 2.87Å; A529-R531 PolarHBondContact O-N 3.04Å
532	F	42.1	Very low	36.8	Very low	34 Å²	34	95.1 Å²	95.1	15%	0.149	52%	0.521	C	S	.	.			trans	-142.7	82.8	178.4	-55.9	-70.3	0	0	0	109.8	L169 I173 F528 A529 N534 S535	L169-F532 HydrophobicContact CD1-CD1 4.05Å; L169-F532 HydrophobicContact CD1-CE1 3.57Å; L169-F532 HydrophobicContact CG-CE1 4.44Å; I173-F532 HydrophobicContact CD1-CE1 3.77Å; I173-F532 HydrophobicContact CD1-CE2 4.19Å; I173-F532 HydrophobicContact CD1-CZ 3.29Å; I173-F532 HydrophobicContact CG1-CE1 4.29Å; I173-F532 HydrophobicContact CG1-CZ 3.81Å; F528-F532 HydrophobicContact CD1-CD2 4.31Å; F528-F532 AromaticContact CE1-CD2 3.92Å; F528-F532 HydrophobicContact CE1-CD2 3.92Å; F528-F532 HydrophobicContact CE1-CE2 4.1Å; F528-F532 HydrophobicContact CZ-CD2 4.26Å; F528-F532 AromaticContact CZ-CE2 3.96Å; F528-F532 HydrophobicContact CZ-CE2 3.96Å; F528-F532 PolarHBondContact O-N 3.42Å; A529-F532 CarbonylContact O-C 3.52Å; A529-F532 VanDerWaalsContact O-C 3.32Å; A529-F532 PolarHBondContact O-N 2.7Å; F532-N534 PolarHBondContact O-N 3.06Å; F532-S535 VanDerWaalsContact CB-OG 3.3Å; F532-S535 WeakPolarHBondContact CB-OG 3.48Å; F532-S535 PolarHBondContact O-N 2.86Å; F532-S535 VanDerWaalsContact O-N 3.1Å; F532-S535 PolarHBondContact O-OG 3.22Å; F532-S535 VanDerWaalsContact O-OG 3.12Å
533	P	36.2	Very low	36.3	Very low	110 Å²	110	98.8 Å²	98.8	71%	0.714	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.1	-175.9	24.6	-33.1	0	0	0	114
534	N	37	Very low	35.5	Very low	118 Å²	118	99.9 Å²	99.9	63%	0.631	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	17.4	179	-65.5	-5.8	0	0	0	112.8	F532	F532-N534 PolarHBondContact O-N 3.06Å
535	S	37.1	Very low	35	Very low	13 Å²	13	103.5 Å²	103.5	9%	0.091	57%	0.568	C	S	.	*	S	Bend	trans	-123.4	28.1	-172.3	83.7	0	0	0	0	116.5	D137 D138 F532	D137-S535 WeakPolarHBondContact O-CA 3.35Å; D137-S535 WeakPolarHBondContact O-CB 3.33Å; D138-S535 CarbonylContact C-O 3.41Å; D138-S535 VanDerWaalsContact CA-C 3.44Å; D138-S535 VanDerWaalsContact CA-CA 3.48Å; D138-S535 VanDerWaalsContact CA-O 3.24Å; D138-S535 WeakPolarHBondContact CA-O 3.31Å; D138-S535 VanDerWaalsContact CG-C 3.47Å; D138-S535 VanDerWaalsContact O-O 3.12Å; D138-S535 VanDerWaalsContact OD1-CA 3.23Å; D138-S535 WeakPolarHBondContact OD1-CA 3.41Å; F532-S535 VanDerWaalsContact CB-OG 3.3Å; F532-S535 WeakPolarHBondContact CB-OG 3.48Å; F532-S535 PolarHBondContact O-N 2.86Å; F532-S535 VanDerWaalsContact O-N 3.1Å; F532-S535 PolarHBondContact O-OG 3.22Å; F532-S535 VanDerWaalsContact O-OG 3.12Å
536	S	32.4	Very low	34.6	Very low	71 Å²	71	98.6 Å²	98.6	50%	0.497	56%	0.559	S	S	.	*			trans	-159.9	88.6	175.6	56	0	0	0	0	114.1	D138	D138-S536 PolarHBondContact OD1-N 3.11Å
537	D	29	Very low	34.1	Very low	149 Å²	149	99.6 Å²	99.6	80%	0.797	57%	0.569	S	S	*	*			trans	-138.5	70.4	165.9	-96.6	-25.4	0	0	0	111.2	D138	D138-D537 PolarHBondContact OD2-N 3.23Å
538	V	32.6	Very low	33.7	Very low	87 Å²	87	100.6 Å²	100.6	53%	0.527	59%	0.587	S	S	.	*			trans	-149.1	124.6	159.5	173.9	0	0	0	0	111.6	R119	R119-V538 VanDerWaalsContact CZ-CB 3.5Å; R119-V538 VanDerWaalsContact CZ-O 3.29Å; R119-V538 PolarHBondContact NH1-O 3.07Å; R119-V538 PolarHBondContact NH2-O 3.26Å
539	S	28.7	Very low	33.4	Very low	90 Å²	90	105.8 Å²	105.8	63%	0.629	61%	0.605	S	S	*	*			trans	50.5	95.8	150	79.6	0	0	0	0	122.9
540	T	30.8	Very low	33.3	Very low	123 Å²	123	112.1 Å²	112.1	76%	0.755	63%	0.625	S	S	*	*				-134.1	111.9	125	36.7	0	0	0	0	108.4	E542	T540-E542 VanDerWaalsContact C-N 3.31Å; T540-E542 PolarHBondContact O-N 3.21Å
541	S	27.1	Very low	33.1	Very low	122 Å²	122	113.3 Å²	113.3	85%	0.853	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	79.6	175.1	53	0	0	0	0	110.5
542	E	30.7	Very low	32.8	Very low	191 Å²	191	115.7 Å²	115.7	89%	0.893	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.5	16.1	164.1	-116	172.6	170	0	0	115	T540	T540-E542 VanDerWaalsContact C-N 3.31Å; T540-E542 PolarHBondContact O-N 3.21Å
543	Q	33.1	Very low	32.4	Very low	130 Å²	130	123.8 Å²	123.8	61%	0.607	68%	0.68	S	S	*	*			trans	-127.8	35.5	-176.6	-79.4	-178.8	-7.3	0	0	114.6	N545	Q543-N545 VanDerWaalsContact C-N 3.34Å; Q543-N545 PolarHBondContact O-N 3.42Å; Q543-N545 VanDerWaalsContact O-N 3.08Å
544	S	28	Very low	32.3	Very low	109 Å²	109	126.1 Å²	126.1	76%	0.762	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	86.7	161	64.6	0	0	0	0	109
545	N	31.5	Very low	32.1	Very low	167 Å²	167	127.3 Å²	127.3	89%	0.893	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.3	3.9	156.1	-81.7	-17	0	0	0	114.3	Q543	Q543-N545 VanDerWaalsContact C-N 3.34Å; Q543-N545 PolarHBondContact O-N 3.42Å; Q543-N545 VanDerWaalsContact O-N 3.08Å
546	A	32.1	Very low	31.9	Very low	64 Å²	64	131.4 Å²	131.4	53%	0.529	71%	0.708	S	S	.	*	S	Bend	trans	-120.6	-1.2	-172.3	0	0	0	0	0	116.4
547	T	30.9	Very low	32.1	Very low	112 Å²	112	133.4 Å²	133.4	69%	0.687	72%	0.716	S	S	*	*	S	Bend	trans	-101.2	3.2	-170.4	40.8	0	0	0	0	115.5
548	A	30.3	Very low	32.3	Very low	87 Å²	87	131.5 Å²	131.5	72%	0.719	71%	0.71	S	S	*	*	S	Bend	trans	-98.7	5.5	179.1	0	0	0	0	0	115.5
549	W	32.7	Very low	32.4	Very low	189 Å²	189	132.6 Å²	132.6	72%	0.716	72%	0.719	S	S	*	*	S	Bend	trans	-134.7	12.2	-169.9	-73.5	88	0	0	0	116.2
550	K	33.5	Very low	32.6	Very low	172 Å²	172	134.2 Å²	134.2	75%	0.748	73%	0.725	S	S	*	*	S	Bend	trans	-104.9	-17.4	-177.2	-89	-177.6	174.6	177.7	0	116.3
551	D	37.1	Very low	32.6	Very low	150 Å²	150	131.7 Å²	131.7	80%	0.802	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-6.3	-177.1	-77	-20.8	0	0	0	115.5
552	E	35.6	Very low	33	Very low	141 Å²	141	132.5 Å²	132.5	66%	0.659	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-10.2	175.3	-80.4	-170.5	138.6	0	0	114.6
553	R	35.1	Very low	33.2	Very low	205 Å²	205	127 Å²	127	77%	0.774	70%	0.704	S	S	*	*	S	Bend	trans	-99.2	-11.8	-175.5	-74.9	-171.9	-138	-166.8	3.5	116
554	M	33.6	Very low	33.2	Very low	158 Å²	158	129 Å²	129	78%	0.778	72%	0.719	S	S	*	*	S	Bend	trans	-98	-5.7	-176.9	-77.4	-142.7	-179.9	0	0	115.7
555	M	33.3	Very low	33.6	Very low	144 Å²	144	126.5 Å²	126.5	71%	0.709	71%	0.705	S	S	*	*	S	Bend	trans	-106.5	10.2	177	-71.2	-167.8	179.7	0	0	114.8	K589	M555-K589 PolarHBondContact SD-NZ 3.45Å
556	N	32.7	Very low	33.8	Very low	99 Å²	99	127.5 Å²	127.5	53%	0.529	70%	0.704	S	S	.	*			trans	-105.5	30.2	173.6	-81.1	-31.5	0	0	0	113.3	V558	N556-V558 PolarHBondContact O-N 3.43Å
557	V	35.7	Very low	34.1	Very low	112 Å²	112	132.3 Å²	132.3	68%	0.679	72%	0.721	S	S	*	*			trans	-83.4	67.2	171.5	-167.7	0	0	0	0	109.5
558	V	33.6	Very low	34.3	Very low	110 Å²	110	129.6 Å²	129.6	67%	0.667	72%	0.716	S	S	*	*	S	Bend	trans	-57.5	144.3	145.9	176	0	0	0	0	106.3	N556 T560	N556-V558 PolarHBondContact O-N 3.43Å; V558-T560 PolarHBondContact O-N 2.98Å
559	P	35.2	Very low	34.8	Very low	109 Å²	109	135.9 Å²	135.9	71%	0.708	73%	0.727	S	S	*	*			trans	-50.1	110.4	-176.8	-24.3	32.2	0	0	0	110.6	G561	P559-G561 PolarHBondContact O-N 2.81Å
560	T	31.5	Very low	35.3	Very low	125 Å²	125	130.4 Å²	130.4	77%	0.767	71%	0.714	S	S	*	*	S	Bend	trans	-71.1	74.9	168.6	46.9	0	0	0	0	107.4	V558	V558-T560 PolarHBondContact O-N 2.98Å
561	G	32.5	Very low	36.1	Very low	70 Å²	70	126.7 Å²	126.7	72%	0.722	71%	0.707	S	S	*	*	S	Bend	trans	-135.4	9.7	169.4	0	0	0	0	0	111.9	P559	P559-G561 PolarHBondContact O-N 2.81Å
562	I	35.3	Very low	36.8	Very low	139 Å²	139	124.8 Å²	124.8	71%	0.713	70%	0.701	S	S	*	*	S	Bend	trans	-126.2	6.5	178.9	-56.4	179.7	0	0	0	111.2
563	A	35.1	Very low	37.5	Very low	74 Å²	74	128.2 Å²	128.2	61%	0.612	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-5	-176.4	0	0	0	0	0	115.3
564	D	32.6	Very low	38.1	Very low	172 Å²	172	121.3 Å²	121.3	92%	0.92	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	14.2	174.8	-74.7	-24.7	0	0	0	113.8
565	A	35.5	Very low	38.6	Very low	58 Å²	58	122.4 Å²	122.4	48%	0.479	69%	0.687	S	S	.	*			trans	-102	60.5	170.2	0	0	0	0	0	110.9	N567	A565-N567 PolarHBondContact O-N 3.46Å
566	Q	36	Very low	39.8	Very low	187 Å²	187	121.6 Å²	121.6	87%	0.874	68%	0.681	S	S	*	*	S	Bend	trans	-73.8	9	164.3	-87.2	-168.6	-19.3	0	0	113.3
567	N	38	Very low	41	Very low	166 Å²	166	122.5 Å²	122.5	89%	0.888	69%	0.685	S	S	*	*	S	Bend	trans	-135.8	84.6	167.9	-89.4	-21	0	0	0	109.7	A565	A565-N567 PolarHBondContact O-N 3.46Å
568	G	36	Very low	41.8	Very low	55 Å²	55	120.1 Å²	120.1	57%	0.567	68%	0.677	S	S	*	*	S	Bend	trans	166.2	126	173	0	0	0	0	0	115.1	V570	G568-V570 PolarHBondContact O-N 3.19Å; G568-V570 VanDerWaalsContact O-N 3.13Å
569	K	39.9	Very low	43.2	Very low	219 Å²	219	117.4 Å²	117.4	95%	0.952	67%	0.667	S	S	*	*			trans	-59.4	104.6	-178.5	-68.3	169.9	175.2	175.2	0	112.4
570	V	44.4	Very low	44.6	Very low	73 Å²	73	119.6 Å²	119.6	44%	0.442	67%	0.665	S	S	.	*			trans	-98.6	130.3	165.7	-178.9	0	0	0	0	109.4	G568	G568-V570 PolarHBondContact O-N 3.19Å; G568-V570 VanDerWaalsContact O-N 3.13Å
571	P	48.8	Very low	46	Very low	95 Å²	95	117 Å²	117	62%	0.617	65%	0.649	S	S	*	*			trans	-66.3	141.8	-172.4	-1	5.6	0	0	0	114.1	R573 S574	P571-R573 PolarHBondContact O-N 3.28Å; P571-S574 PolarHBondContact O-N 3.09Å; P571-S574 PolarHBondContact O-OG 3.38Å
572	T	53.5	Low	47.2	Very low	110 Å²	110	115.2 Å²	115.2	68%	0.675	63%	0.625	S	S	*	*	H	α-helix	trans	-56.1	-26	-174.2	-19.2	0	0	0	0	115	Q576	T572-Q576 PolarHBondContact O-N 3.42Å
573	R	49.3	Very low	48.6	Very low	213 Å²	213	113.8 Å²	113.8	80%	0.804	62%	0.616	S	S	*	*	H	α-helix	trans	-69.1	-33.7	-179.6	-90.9	-176.1	173.7	-177.3	-1.5	114	P571 Q576 L577	P571-R573 PolarHBondContact O-N 3.28Å; R573-Q576 PolarHBondContact O-N 2.87Å; R573-L577 PolarHBondContact O-N 3.21Å; R573-L577 VanDerWaalsContact O-N 3.15Å
574	S	47.2	Very low	49.7	Very low	59 Å²	59	117.1 Å²	117.1	41%	0.413	62%	0.621	S	S	.	*	H	α-helix	trans	-72.6	-32.2	-179.6	58.2	0	0	0	0	112.1	P571 A578	P571-S574 PolarHBondContact O-N 3.09Å; P571-S574 PolarHBondContact O-OG 3.38Å; S574-A578 WeakPolarHBondContact O-CB 3.43Å; S574-A578 PolarHBondContact O-N 2.98Å; S574-A578 VanDerWaalsContact O-N 3.07Å
575	R	44.5	Very low	50.5	Low	181 Å²	181	116 Å²	116	68%	0.683	61%	0.608	S	S	*	*	H	α-helix	trans	-66.4	-41.2	172.7	-72	-176.1	178.7	173.2	0.1	112.4	A579	R575-A579 WeakPolarHBondContact O-CB 3.48Å; R575-A579 PolarHBondContact O-N 3.28Å
576	Q	58.9	Low	51.7	Low	127 Å²	127	119.6 Å²	119.6	59%	0.593	61%	0.609	S	S	*	*	H	α-helix	trans	-65.4	-40	177	-74.3	180	-22.2	0	0	112.2	T572 R573 A579 K580	T572-Q576 PolarHBondContact O-N 3.42Å; R573-Q576 PolarHBondContact O-N 2.87Å; Q576-A579 PolarHBondContact O-N 3.42Å; Q576-K580 PolarHBondContact O-N 2.81Å
577	L	57.9	Low	53.1	Low	118 Å²	118	115.1 Å²	115.1	62%	0.618	59%	0.591	S	S	*	*	H	α-helix	trans	-66.3	-45.3	177.2	-167.2	71.7	0	0	0	111.6	R573 A579 K580 V581	R573-L577 PolarHBondContact O-N 3.21Å; R573-L577 VanDerWaalsContact O-N 3.15Å; L577-A579 VanDerWaalsContact C-N 3.33Å; L577-A579 PolarHBondContact O-N 2.97Å; L577-K580 PolarHBondContact O-N 2.98Å; L577-V581 WeakPolarHBondContact O-CG2 3.08Å; L577-V581 PolarHBondContact O-N 3.43Å
578	A	52.5	Low	54	Low	62 Å²	62	114.2 Å²	114.2	51%	0.512	58%	0.579	S	S	.	*	H	α-helix	trans	-61.8	-39.6	176.3	0	0	0	0	0	112.3	S574 S582	S574-A578 WeakPolarHBondContact O-CB 3.43Å; S574-A578 PolarHBondContact O-N 2.98Å; S574-A578 VanDerWaalsContact O-N 3.07Å; A578-S582 VanDerWaalsContact O-CB 3.32Å; A578-S582 WeakPolarHBondContact O-CB 3.43Å; A578-S582 PolarHBondContact O-N 2.78Å
579	A	63	Low	54.8	Low	54 Å²	54	117.3 Å²	117.3	45%	0.446	58%	0.577	S	S	.	*	H	α-helix	trans	-64.3	-44.2	175.5	0	0	0	0	0	112.2	R575 Q576 L577 S582 Q583	R575-A579 WeakPolarHBondContact O-CB 3.48Å; R575-A579 PolarHBondContact O-N 3.28Å; Q576-A579 PolarHBondContact O-N 3.42Å; L577-A579 VanDerWaalsContact C-N 3.33Å; L577-A579 PolarHBondContact O-N 2.97Å; A579-S582 PolarHBondContact O-N 3.1Å; A579-Q583 WeakPolarHBondContact O-CB 3.5Å; A579-Q583 PolarHBondContact O-N 3.41Å
580	K	65.3	Low	55.8	Low	154 Å²	154	109.8 Å²	109.8	67%	0.67	55%	0.552	S	S	*	*	H	α-helix	trans	-63.2	-44.3	176.4	-81	-170.6	172.9	-165.7	0	112.5	Q576 L577 Q583 M584	Q576-K580 PolarHBondContact O-N 2.81Å; L577-K580 PolarHBondContact O-N 2.98Å; K580-Q583 PolarHBondContact O-N 2.68Å; K580-M584 PolarHBondContact O-N 2.92Å
581	V	59.6	Low	56.3	Low	70 Å²	70	112.2 Å²	112.2	42%	0.424	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-44.6	176.9	172.9	0	0	0	0	110.6	L577 Q583 M584 F585	L577-V581 WeakPolarHBondContact O-CG2 3.08Å; L577-V581 PolarHBondContact O-N 3.43Å; V581-Q583 VanDerWaalsContact C-N 3.31Å; V581-Q583 PolarHBondContact O-N 2.86Å; V581-M584 PolarHBondContact O-N 3.32Å; V581-F585 HydrophobicContact CG1-CD2 3.91Å; V581-F585 HydrophobicContact CG1-CE2 3.94Å; V581-F585 WeakPolarHBondContact O-CD2 3.43Å; V581-F585 PolarHBondContact O-N 3.2Å
582	S	58.1	Low	56.5	Low	33 Å²	33	113.5 Å²	113.5	23%	0.231	55%	0.55	C	S	.	*	H	α-helix	trans	-62.4	-37.1	177.1	-167.5	0	0	0	0	112.4	A578 A579 R586	A578-S582 VanDerWaalsContact O-CB 3.32Å; A578-S582 WeakPolarHBondContact O-CB 3.43Å; A578-S582 PolarHBondContact O-N 2.78Å; A579-S582 PolarHBondContact O-N 3.1Å; S582-R586 PolarHBondContact O-N 2.97Å; S582-R586 VanDerWaalsContact O-N 3.13Å; S582-R586 PolarHBondContact OG-NH1 3.37Å
583	Q	64.3	Low	56.5	Low	110 Å²	110	111.4 Å²	111.4	51%	0.514	54%	0.54	S	S	.	.	H	α-helix	trans	-68.9	-40.9	175	-171.4	161.9	-5.8	0	0	112.6	A579 K580 V581 F585 R586 N587	A579-Q583 WeakPolarHBondContact O-CB 3.5Å; A579-Q583 PolarHBondContact O-N 3.41Å; K580-Q583 PolarHBondContact O-N 2.68Å; V581-Q583 VanDerWaalsContact C-N 3.31Å; V581-Q583 PolarHBondContact O-N 2.86Å; Q583-F585 VanDerWaalsContact C-N 3.33Å; Q583-F585 PolarHBondContact O-N 3.4Å; Q583-R586 PolarHBondContact O-N 2.99Å; Q583-N587 PolarHBondContact O-N 2.73Å; Q583-N587 PolarHBondContact O-OD1 3.39Å
584	M	58	Low	56.4	Low	144 Å²	144	105.1 Å²	105.1	71%	0.709	52%	0.522	S	S	*	.	H	α-helix	trans	-60.6	-41.2	174.9	-169	-176.2	-81.4	0	0	111.7	K580 V581 N587 F588	K580-M584 PolarHBondContact O-N 2.92Å; V581-M584 PolarHBondContact O-N 3.32Å; M584-N587 PolarHBondContact O-N 3.49Å; M584-F588 PolarHBondContact O-N 2.89Å
585	F	50.7	Low	56.6	Low	149 Å²	149	109.2 Å²	109.2	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-65.7	-37.7	174.7	-90.4	-78.3	0	0	0	113.2	V581 Q583 F588 K589	V581-F585 HydrophobicContact CG1-CD2 3.91Å; V581-F585 HydrophobicContact CG1-CE2 3.94Å; V581-F585 WeakPolarHBondContact O-CD2 3.43Å; V581-F585 PolarHBondContact O-N 3.2Å; Q583-F585 VanDerWaalsContact C-N 3.33Å; Q583-F585 PolarHBondContact O-N 3.4Å; F585-F588 PolarHBondContact O-N 3.45Å; F585-K589 PolarHBondContact O-N 3.11Å; F585-K589 VanDerWaalsContact O-N 3.11Å
586	R	60.7	Low	56.9	Low	132 Å²	132	106.3 Å²	106.3	50%	0.498	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-45	174.5	-78.3	-169.6	-71.1	-96.4	-1.1	111.7	S582 Q583 F588 K589 S590	S582-R586 PolarHBondContact O-N 2.97Å; S582-R586 VanDerWaalsContact O-N 3.13Å; S582-R586 PolarHBondContact OG-NH1 3.37Å; Q583-R586 PolarHBondContact O-N 2.99Å; R586-F588 PolarHBondContact O-N 3.22Å; R586-K589 PolarHBondContact O-N 3.09Å; R586-S590 PolarHBondContact O-N 3.49Å; R586-S590 VanDerWaalsContact O-N 3.08Å
587	N	64.9	Low	56.5	Low	93 Å²	93	103.4 Å²	103.4	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-41.3	178.7	-69.1	3.4	0	0	0	111.6	Q583 M584 K589 S590 Y591	Q583-N587 PolarHBondContact O-N 2.73Å; Q583-N587 PolarHBondContact O-OD1 3.39Å; M584-N587 PolarHBondContact O-N 3.49Å; N587-K589 VanDerWaalsContact C-N 3.33Å; N587-K589 PolarHBondContact O-N 3.02Å; N587-S590 PolarHBondContact O-N 3.03Å; N587-Y591 PolarHBondContact O-N 3.48Å
588	F	56.6	Low	55.8	Low	147 Å²	147	104 Å²	104	65%	0.645	52%	0.522	S	S	*	.	H	α-helix	trans	-64.5	-36	177.1	-161.5	-95.2	0	0	0	112.8	M584 F585 R586 Y591 K592	M584-F588 PolarHBondContact O-N 2.89Å; F585-F588 PolarHBondContact O-N 3.45Å; R586-F588 PolarHBondContact O-N 3.22Å; F588-Y591 PolarHBondContact O-N 3.49Å; F588-K592 PolarHBondContact O-N 2.9Å; F588-K592 VanDerWaalsContact O-N 3.07Å
589	K	52.8	Low	55.4	Low	121 Å²	121	110.1 Å²	110.1	53%	0.526	53%	0.533	S	S	.	.	H	α-helix	trans	-68.5	-40	177.1	-148.7	179.5	-178.1	-169.1	0	111.5	M555 F585 R586 N587 K592 S593	M555-K589 PolarHBondContact SD-NZ 3.45Å; F585-K589 PolarHBondContact O-N 3.11Å; F585-K589 VanDerWaalsContact O-N 3.11Å; R586-K589 PolarHBondContact O-N 3.09Å; N587-K589 VanDerWaalsContact C-N 3.33Å; N587-K589 PolarHBondContact O-N 3.02Å; K589-K592 PolarHBondContact O-N 2.88Å; K589-S593 PolarHBondContact O-N 2.97Å; K589-S593 PolarHBondContact O-OG 3.1Å
590	S	61.4	Low	54.3	Low	61 Å²	61	110.8 Å²	110.8	43%	0.427	55%	0.545	S	S	.	.	H	α-helix	trans	-62	-41.4	173.3	-168.5	0	0	0	0	112	R586 N587 K592 S593 L594	R586-S590 PolarHBondContact O-N 3.49Å; R586-S590 VanDerWaalsContact O-N 3.08Å; N587-S590 PolarHBondContact O-N 3.03Å; S590-K592 PolarHBondContact O-N 3.5Å; S590-S593 WeakPolarHBondContact CA-OG 3.49Å; S590-S593 PolarHBondContact O-N 3.27Å; S590-S593 PolarHBondContact O-OG 3.43Å; S590-L594 WeakPolarHBondContact O-CB 3.41Å; S590-L594 PolarHBondContact O-N 3.46Å
591	Y	53.7	Low	53.1	Low	124 Å²	124	107.4 Å²	107.4	49%	0.486	54%	0.541	S	S	.	.	H	α-helix	trans	-62.8	-42.3	175.7	-172.8	-96.8	0	0	0	112.4	N587 F588 L594 R595 W617	N587-Y591 PolarHBondContact O-N 3.48Å; F588-Y591 PolarHBondContact O-N 3.49Å; Y591-L594 PolarHBondContact O-N 3.23Å; Y591-R595 WeakPolarHBondContact O-CB 3.39Å; Y591-R595 PolarHBondContact O-N 3.2Å; Y591-W617 HydrophobicContact CD2-CH2 4.15Å; Y591-W617 AromaticContact CD2-CZ3 3.96Å; Y591-W617 HydrophobicContact CD2-CZ3 3.96Å; Y591-W617 HydrophobicContact CE2-CH2 4.39Å; Y591-W617 HydrophobicContact CE2-CZ3 4.14Å
592	K	53.5	Low	51.8	Low	121 Å²	121	107.8 Å²	107.8	53%	0.526	56%	0.559	S	S	.	*	H	α-helix	trans	-65.1	-44	177.4	-169.1	177.7	175.2	-176.9	0	111.9	F588 K589 S590 R595 E596	F588-K592 PolarHBondContact O-N 2.9Å; F588-K592 VanDerWaalsContact O-N 3.07Å; K589-K592 PolarHBondContact O-N 2.88Å; S590-K592 PolarHBondContact O-N 3.5Å; K592-R595 PolarHBondContact O-N 3.38Å; K592-E596 WeakPolarHBondContact CE-OE1 2.92Å; K592-E596 IonicContact NZ-OE1 3.46Å; K592-E596 WeakPolarHBondContact O-CB 3.46Å; K592-E596 WeakPolarHBondContact O-CG 3.38Å; K592-E596 PolarHBondContact O-N 3.22Å
593	S	54	Low	50.6	Low	66 Å²	66	115.4 Å²	115.4	46%	0.462	59%	0.591	S	S	.	*	H	α-helix	trans	-66	-38.4	177.6	58.6	0	0	0	0	112.7	K589 S590 A597	K589-S593 PolarHBondContact O-N 2.97Å; K589-S593 PolarHBondContact O-OG 3.1Å; S590-S593 WeakPolarHBondContact CA-OG 3.49Å; S590-S593 PolarHBondContact O-N 3.27Å; S590-S593 PolarHBondContact O-OG 3.43Å; S593-A597 WeakPolarHBondContact O-CB 3.32Å; S593-A597 PolarHBondContact O-N 3.04Å
594	L	47.1	Very low	48.9	Very low	82 Å²	82	113.8 Å²	113.8	43%	0.429	60%	0.603	S	S	.	*	H	α-helix	trans	-67.2	-39.7	175.2	-84.4	159.6	0	0	0	112	S590 Y591 A597 M598	S590-L594 WeakPolarHBondContact O-CB 3.41Å; S590-L594 PolarHBondContact O-N 3.46Å; Y591-L594 PolarHBondContact O-N 3.23Å; L594-A597 PolarHBondContact O-N 3.06Å; L594-M598 WeakPolarHBondContact O-CG 3.43Å; L594-M598 PolarHBondContact O-N 3.03Å
595	R	51.2	Low	47.8	Very low	144 Å²	144	116 Å²	116	54%	0.543	61%	0.612	S	S	.	*	H	α-helix	trans	-66	-41.3	176.3	-171.3	179.3	178	-177.8	0.6	111.8	Y591 K592 A597 M598 Y599	Y591-R595 WeakPolarHBondContact O-CB 3.39Å; Y591-R595 PolarHBondContact O-N 3.2Å; K592-R595 PolarHBondContact O-N 3.38Å; R595-A597 VanDerWaalsContact C-N 3.34Å; R595-M598 PolarHBondContact O-N 2.96Å; R595-Y599 HydrophobicContact CG-CD2 4.01Å; R595-Y599 HydrophobicContact CG-CE2 4.29Å; R595-Y599 WeakPolarHBondContact O-CD2 3.13Å; R595-Y599 PolarHBondContact O-N 3.4Å; R595-Y599 VanDerWaalsContact O-N 3.13Å
596	E	49.7	Very low	46.7	Very low	120 Å²	120	115 Å²	115	56%	0.561	62%	0.623	S	S	*	*	H	α-helix	trans	-66.8	-36.2	175.5	-72.8	171.5	177	0	0	111.4	K592 G600	K592-E596 WeakPolarHBondContact CE-OE1 2.92Å; K592-E596 IonicContact NZ-OE1 3.46Å; K592-E596 WeakPolarHBondContact O-CB 3.46Å; K592-E596 WeakPolarHBondContact O-CG 3.38Å; K592-E596 PolarHBondContact O-N 3.22Å; E596-G600 PolarHBondContact O-N 3.14Å; E596-G600 VanDerWaalsContact O-N 3.07Å
597	A	51.3	Low	45.6	Very low	66 Å²	66	113.9 Å²	113.9	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-67.7	-34.7	174	0	0	0	0	0	113.7	S593 L594 R595 S601	S593-A597 WeakPolarHBondContact O-CB 3.32Å; S593-A597 PolarHBondContact O-N 3.04Å; L594-A597 PolarHBondContact O-N 3.06Å; R595-A597 VanDerWaalsContact C-N 3.34Å; A597-S601 PolarHBondContact O-OG 2.93Å
598	M	42.3	Very low	44.4	Very low	132 Å²	132	119.4 Å²	119.4	65%	0.65	66%	0.655	S	S	*	*	H	α-helix	trans	-79.9	-29.1	179.5	-74.8	-164.3	-56	0	0	114.2	L594 R595	L594-M598 WeakPolarHBondContact O-CG 3.43Å; L594-M598 PolarHBondContact O-N 3.03Å; R595-M598 PolarHBondContact O-N 2.96Å
599	Y	45	Very low	43.9	Very low	189 Å²	189	118.8 Å²	118.8	74%	0.741	66%	0.655	S	S	*	*	H	α-helix	trans	-99	-12.8	-178.5	-79.4	-88.6	0	0	0	113.9	R595	R595-Y599 HydrophobicContact CG-CD2 4.01Å; R595-Y599 HydrophobicContact CG-CE2 4.29Å; R595-Y599 WeakPolarHBondContact O-CD2 3.13Å; R595-Y599 PolarHBondContact O-N 3.4Å; R595-Y599 VanDerWaalsContact O-N 3.13Å
600	G	40.9	Very low	43.8	Very low	69 Å²	69	115.8 Å²	115.8	71%	0.711	65%	0.649	S	S	*	*	S	Bend	trans	-85.8	-12.2	179.4	0	0	0	0	0	115.5	E596	E596-G600 PolarHBondContact O-N 3.14Å; E596-G600 VanDerWaalsContact O-N 3.07Å
601	S	39.4	Very low	43.3	Very low	83 Å²	83	118 Å²	118	58%	0.58	66%	0.662	S	S	*	*			trans	-103.2	80	178.2	50.6	0	0	0	0	110.8	A597 Q603	A597-S601 PolarHBondContact O-OG 2.93Å; S601-Q603 PolarHBondContact O-N 3.38Å
602	G	32	Very low	43.3	Very low	78 Å²	78	122.4 Å²	122.4	80%	0.804	68%	0.678	S	S	*	*			trans	-67.7	90.6	167.6	0	0	0	0	0	111.2
603	Q	33.9	Very low	43.4	Very low	193 Å²	193	119.3 Å²	119.3	90%	0.902	67%	0.669	S	S	*	*	S	Bend	trans	-173	132.2	145.3	-104.3	175.6	14.9	0	0	109.5	S601	S601-Q603 PolarHBondContact O-N 3.38Å
604	G	28.7	Very low	43.4	Very low	75 Å²	75	122.1 Å²	122.1	77%	0.773	68%	0.675	S	S	*	*			trans	-67.8	148.1	-160.6	0	0	0	0	0	116.7
605	Q	33.1	Very low	44.1	Very low	192 Å²	192	123.4 Å²	123.4	90%	0.897	68%	0.682	S	S	*	*			trans	-164.1	119.3	133.1	-109.9	163.7	-1.2	0	0	109.7	S607	Q605-S607 PolarHBondContact O-N 2.96Å
606	S	28.8	Very low	44.6	Very low	127 Å²	127	118.9 Å²	118.9	89%	0.888	68%	0.675	S	S	*	*			trans	-63.9	109.8	170.7	156.2	0	0	0	0	109.8
607	S	37.3	Very low	44.9	Very low	109 Å²	109	118.2 Å²	118.2	76%	0.762	67%	0.667	S	S	*	*			trans	-122.5	125.1	162.3	65.8	0	0	0	0	109.8	Q605 E609	Q605-S607 PolarHBondContact O-N 2.96Å; S607-E609 PolarHBondContact O-N 3.15Å
608	K	40.6	Very low	45.3	Very low	208 Å²	208	121 Å²	121	90%	0.904	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-64.8	116.8	178.1	-73.7	174	172.4	177	0	109.3
609	E	46.1	Very low	46.6	Very low	135 Å²	135	121 Å²	121	63%	0.631	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-67.2	141.3	169	-92	-178.2	145.9	0	0	111.5	S607	S607-E609 PolarHBondContact O-N 3.15Å
610	S	49.9	Very low	47.4	Very low	57 Å²	57	118.4 Å²	118.4	40%	0.399	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-72.6	150.7	-177.7	89.1	0	0	0	0	112.4	R612 T613	S610-R612 PolarHBondContact O-N 3.43Å; S610-R612 PolarHBondContact OG-N 3.13Å; S610-T613 PolarHBondContact O-N 3.02Å; S610-T613 VanDerWaalsContact O-N 3.1Å; S610-T613 PolarHBondContact O-OG1 3.36Å; S610-T613 PolarHBondContact OG-OG1 3.38Å
611	P	50.3	Low	48	Very low	108 Å²	108	121.8 Å²	121.8	70%	0.701	66%	0.663	S	S	*	*	H	α-helix	trans	-57.1	-23.8	175.6	-24.8	33.2	0	0	0	114.7	L615	P611-L615 PolarHBondContact O-N 3.01Å; P611-L615 VanDerWaalsContact O-N 3.13Å
612	R	53.1	Low	49	Very low	217 Å²	217	124.4 Å²	124.4	82%	0.819	67%	0.67	S	S	*	*	H	α-helix	trans	-70.7	-34.8	178.4	-78.6	-174.9	173.4	179.4	-1.6	112.6	S610 L615 A616	S610-R612 PolarHBondContact O-N 3.43Å; S610-R612 PolarHBondContact OG-N 3.13Å; R612-L615 PolarHBondContact O-N 3.19Å; R612-A616 PolarHBondContact O-N 3.43Å; R612-A616 VanDerWaalsContact O-N 3.13Å
613	T	56.9	Low	50.2	Low	56 Å²	56	127.3 Å²	127.3	34%	0.344	69%	0.687	S	S	.	*	H	α-helix	trans	-68.2	-43.7	176.8	3.1	0	0	0	0	109.8	S610 L615 A616 W617	S610-T613 PolarHBondContact O-N 3.02Å; S610-T613 VanDerWaalsContact O-N 3.1Å; S610-T613 PolarHBondContact O-OG1 3.36Å; S610-T613 PolarHBondContact OG-OG1 3.38Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.01Å; T613-A616 PolarHBondContact O-N 3.42Å; T613-W617 PolarHBondContact O-N 2.75Å
614	Q	53.9	Low	51	Low	124 Å²	124	124.1 Å²	124.1	58%	0.579	68%	0.676	S	S	*	*	H	α-helix	trans	-59.2	-40	174.1	-79	-177.2	-27.5	0	0	113.2	W617 Q618	Q614-W617 PolarHBondContact O-N 3.02Å; Q614-Q618 PolarHBondContact O-N 3.21Å
615	L	61.7	Low	52.2	Low	110 Å²	110	126.6 Å²	126.6	58%	0.576	67%	0.671	S	S	*	*	H	α-helix	trans	-67.5	-37.6	178.1	-158.9	80.1	0	0	0	112.5	P611 R612 T613 Q618 Q619	P611-L615 PolarHBondContact O-N 3.01Å; P611-L615 VanDerWaalsContact O-N 3.13Å; R612-L615 PolarHBondContact O-N 3.19Å; T613-L615 VanDerWaalsContact C-N 3.34Å; T613-L615 PolarHBondContact O-N 3.01Å; L615-Q618 PolarHBondContact O-N 3.21Å; L615-Q619 WeakPolarHBondContact O-CG 3.27Å; L615-Q619 PolarHBondContact O-N 3.14Å
616	A	62.8	Low	53.2	Low	49 Å²	49	123 Å²	123	41%	0.405	66%	0.659	S	S	.	*	H	α-helix	trans	-64.2	-43.8	174.7	0	0	0	0	0	111.3	R612 T613 Q618 Q619 E620	R612-A616 PolarHBondContact O-N 3.43Å; R612-A616 VanDerWaalsContact O-N 3.13Å; T613-A616 PolarHBondContact O-N 3.42Å; A616-Q618 VanDerWaalsContact C-N 3.31Å; A616-Q618 PolarHBondContact O-N 2.79Å; A616-Q619 PolarHBondContact O-N 2.96Å; A616-E620 PolarHBondContact O-N 3.01Å
617	W	55.4	Low	54.7	Low	106 Å²	106	122.8 Å²	122.8	40%	0.402	65%	0.645	S	S	.	*	H	α-helix	trans	-58.4	-41.4	172.8	-79.3	108.1	0	0	0	112.3	Y591 T613 Q614 E620 L621	Y591-W617 HydrophobicContact CD2-CH2 4.15Å; Y591-W617 AromaticContact CD2-CZ3 3.96Å; Y591-W617 HydrophobicContact CD2-CZ3 3.96Å; Y591-W617 HydrophobicContact CE2-CH2 4.39Å; Y591-W617 HydrophobicContact CE2-CZ3 4.14Å; T613-W617 PolarHBondContact O-N 2.75Å; Q614-W617 PolarHBondContact O-N 3.02Å; W617-E620 PolarHBondContact O-N 2.97Å; W617-L621 WeakPolarHBondContact O-CB 3.37Å; W617-L621 PolarHBondContact O-N 3.14Å
618	Q	58.3	Low	55.8	Low	124 Å²	124	123.6 Å²	123.6	58%	0.579	64%	0.638	S	S	*	*	H	α-helix	trans	-67.5	-36.6	179	-154.1	100.7	25.5	0	0	112.4	Q614 L615 A616 N622	Q614-Q618 PolarHBondContact O-N 3.21Å; L615-Q618 PolarHBondContact O-N 3.21Å; A616-Q618 VanDerWaalsContact C-N 3.31Å; A616-Q618 PolarHBondContact O-N 2.79Å; Q618-N622 VanDerWaalsContact O-CG 3.31Å; Q618-N622 PolarHBondContact O-N 3.06Å; Q618-N622 PolarHBondContact O-ND2 3.46Å
619	Q	70.4	Confident	56.8	Low	132 Å²	132	118 Å²	118	62%	0.617	62%	0.62	S	S	*	*	H	α-helix	trans	-71.5	-37.7	177.5	-74.8	-179	-20.3	0	0	112.1	L615 A616 N622 A623	L615-Q619 WeakPolarHBondContact O-CG 3.27Å; L615-Q619 PolarHBondContact O-N 3.14Å; A616-Q619 PolarHBondContact O-N 2.96Å; Q619-N622 PolarHBondContact O-N 2.84Å; Q619-A623 PolarHBondContact O-N 2.91Å
620	E	61.8	Low	57.5	Low	135 Å²	135	116.8 Å²	116.8	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-71.5	-29.8	175.2	-96.5	-179.5	159.1	0	0	113.6	A616 W617	A616-E620 PolarHBondContact O-N 3.01Å; W617-E620 PolarHBondContact O-N 2.97Å
621	L	52.9	Low	58.1	Low	140 Å²	140	121.4 Å²	121.4	73%	0.733	64%	0.637	S	S	*	*	H	α-helix	trans	-73.6	-28.5	173.7	-96	155.9	0	0	0	113.4	W617	W617-L621 WeakPolarHBondContact O-CB 3.37Å; W617-L621 PolarHBondContact O-N 3.14Å
622	N	61.2	Low	58.8	Low	137 Å²	137	122.5 Å²	122.5	73%	0.733	63%	0.631	S	S	*	*	H	α-helix	trans	-83.9	-16.7	178.9	-76.3	-24.3	0	0	0	113.5	Q618 Q619	Q618-N622 VanDerWaalsContact O-CG 3.31Å; Q618-N622 PolarHBondContact O-N 3.06Å; Q618-N622 PolarHBondContact O-ND2 3.46Å; Q619-N622 PolarHBondContact O-N 2.84Å
623	A	57.2	Low	59.3	Low	140 Å²	140	113.9 Å²	113.9	100%	1.157	61%	0.614	S	S	*	*			trans	-93.5	0	-179.1	0	0	0	0	0	112.1	Q619	Q619-A623 PolarHBondContact O-N 2.91Å

Retrieved 623 of 623 residues in 875.2 ms (Link to these results)

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