A0A077Z042_TRITR Loading...

Apoptotic enhancer 1 protein

AlphaFold DB , UniProt , Accession A0A077Z042, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 640 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.7	Very low	36.7	Very low	230 Å²	230	162.2 Å²	162.2	100%	1.133	81%	0.807	S	S	*	*				0	129.8	0	-92.1	-71.5	-173.4	0	0	108.4
2	L	33.6	Very low	36.9	Very low	169 Å²	169	160.3 Å²	160.3	89%	0.885	80%	0.8	S	S	*	*			trans	70.9	128.3	169.2	-53.1	162.5	0	0	0	114.9
3	S	38	Very low	36.6	Very low	95 Å²	95	161.8 Å²	161.8	66%	0.664	80%	0.8	S	S	*	*			cis	-156.8	111.5	15	-174.3	0	0	0	0	108.8	S5	S3-S5 PolarHBondContact O-N 3.41Å
4	R	34.5	Very low	36.8	Very low	253 Å²	253	164.8 Å²	164.8	96%	0.955	81%	0.806	S	S	*	*			trans	-78.2	103.4	154.9	-82.6	179.9	172.4	176.2	-2.2	105.5
5	S	38.5	Very low	36.5	Very low	83 Å²	83	159.4 Å²	159.4	58%	0.58	80%	0.799	S	S	*	*			trans	-156.1	119.3	171.3	-96.4	0	0	0	0	112.6	S3	S3-S5 PolarHBondContact O-N 3.41Å
6	F	37.3	Very low	37.2	Very low	166 Å²	166	157.4 Å²	157.4	73%	0.728	80%	0.8	S	S	*	*			trans	65.2	95.2	149.8	-71.1	-84.8	0	0	0	118.8	K8	F6-K8 HydrophobicContact CD1-CG 4.14Å
7	R	40.8	Very low	37.4	Very low	255 Å²	255	158.5 Å²	158.5	96%	0.962	81%	0.808	S	S	*	*			trans	-111.4	93.5	138.5	-75.7	-170	178.4	-168.8	0.3	108.7
8	K	36.4	Very low	37.6	Very low	161 Å²	161	153.7 Å²	153.7	70%	0.7	80%	0.804	S	S	*	*			trans	-68.6	139.2	160.6	-80.7	177.6	177.8	-179.9	0	108.3	F6 I10	F6-K8 HydrophobicContact CD1-CG 4.14Å; K8-I10 PolarHBondContact O-N 3.24Å
9	P	42.4	Very low	37.7	Very low	128 Å²	128	158.3 Å²	158.3	83%	0.831	81%	0.809	S	S	*	*			trans	-81.1	106.5	173.9	31	-27.6	0	0	0	108.4	S11	P9-S11 PolarHBondContact O-N 3.24Å; P9-S11 VanDerWaalsContact O-N 3.09Å
10	I	39.4	Very low	37.9	Very low	144 Å²	144	155.1 Å²	155.1	74%	0.738	80%	0.8	S	S	*	*			trans	-74.9	99.2	167.4	-66.8	171.5	0	0	0	106.7	K8 L12	K8-I10 PolarHBondContact O-N 3.24Å; I10-L12 HydrophobicContact CG2-CB 4.35Å; I10-L12 HydrophobicContact CG2-CD1 3.8Å; I10-L12 HydrophobicContact CG2-CG 4.11Å; I10-L12 PolarHBondContact O-N 3.34Å
11	S	33.7	Very low	38.5	Very low	100 Å²	100	152.3 Å²	152.3	70%	0.699	79%	0.793	S	S	*	*			trans	-63.2	109.7	156.7	172.3	0	0	0	0	107.9	P9	P9-S11 PolarHBondContact O-N 3.24Å; P9-S11 VanDerWaalsContact O-N 3.09Å
12	L	39.3	Very low	39.6	Very low	139 Å²	139	147.8 Å²	147.8	73%	0.728	77%	0.772	S	S	*	*			trans	-126.3	93	163.5	-104.3	161	0	0	0	107.7	I10 F14	I10-L12 HydrophobicContact CG2-CB 4.35Å; I10-L12 HydrophobicContact CG2-CD1 3.8Å; I10-L12 HydrophobicContact CG2-CG 4.11Å; I10-L12 PolarHBondContact O-N 3.34Å; L12-F14 HydrophobicContact CD2-CD2 4.44Å; L12-F14 PolarHBondContact O-N 3.28Å
13	F	33.5	Very low	40.4	Very low	180 Å²	180	148.1 Å²	148.1	79%	0.789	77%	0.766	S	S	*	*			trans	-39	125.6	144.9	-95.7	-108.1	0	0	0	109.9
14	F	38.3	Very low	41.1	Very low	204 Å²	204	148 Å²	148	90%	0.895	76%	0.764	S	S	*	*			trans	-159.5	140.7	138.1	-107.6	-77	0	0	0	110.9	L12	L12-F14 HydrophobicContact CD2-CD2 4.44Å; L12-F14 PolarHBondContact O-N 3.28Å
15	A	32.7	Very low	42.1	Very low	84 Å²	84	139.8 Å²	139.8	69%	0.694	75%	0.745	S	S	*	*			trans	-76	175.4	-163.4	0	0	0	0	0	114.4
16	P	48	Very low	43.2	Very low	127 Å²	127	140.9 Å²	140.9	83%	0.825	74%	0.744	S	S	*	*			trans	-88.6	121.9	-163.3	34	-29.2	0	0	0	112.1
17	L	39.8	Very low	44.8	Very low	177 Å²	177	138.1 Å²	138.1	93%	0.927	74%	0.736	S	S	*	*			trans	-113.1	112.1	164.9	-74.7	171.8	0	0	0	109.8
18	G	41	Very low	46.3	Very low	71 Å²	71	129.4 Å²	129.4	73%	0.732	71%	0.714	S	S	*	*			trans	55.6	94.3	134.7	0	0	0	0	0	119.2
19	R	40.9	Very low	48.1	Very low	242 Å²	242	130.3 Å²	130.3	91%	0.913	72%	0.715	S	S	*	*			trans	37.1	91	131.6	-62.1	-179.7	-168.8	-123.7	0.4	117.4
20	C	40.7	Very low	49.5	Very low	93 Å²	93	129.3 Å²	129.3	63%	0.628	70%	0.702	S	S	*	*			trans	-163.8	88	133.1	-104.7	0	0	0	0	110.3	I22	C20-I22 PolarHBondContact O-N 3.39Å
21	P	50.1	Low	51.3	Low	98 Å²	98	127.5 Å²	127.5	64%	0.636	69%	0.693	S	S	*	*	H	α-helix	trans	-66	-22.7	-176	22.8	-30	0	0	0	113.6	C25	P21-C25 WeakPolarHBondContact O-CB 3.45Å; P21-C25 PolarHBondContact O-N 3.48Å; P21-C25 PolarHBondContact O-SG 2.86Å
22	I	52.5	Low	53.4	Low	135 Å²	135	125.2 Å²	125.2	69%	0.692	68%	0.677	S	S	*	*	H	α-helix	trans	-80	-35.4	-169.3	-57.5	170.4	0	0	0	112.7	C20 N26	C20-I22 PolarHBondContact O-N 3.39Å; I22-N26 PolarHBondContact O-N 3.43Å
23	K	51.4	Low	55.5	Low	175 Å²	175	120.1 Å²	120.1	76%	0.761	66%	0.658	S	S	*	*	H	α-helix	trans	-78.8	-33.6	-179.9	-75.3	-174.3	178.9	-180	0	113.1	L27	K23-L27 PolarHBondContact O-N 3.36Å
24	C	52.5	Low	57.9	Low	94 Å²	94	116.5 Å²	116.5	64%	0.635	65%	0.646	S	S	*	*	H	α-helix	trans	-70.8	-39.2	176	-65.5	0	0	0	0	112.3	L27 S28	C24-L27 PolarHBondContact O-N 3.07Å; C24-S28 PolarHBondContact O-N 3.36Å; C24-S28 PolarHBondContact O-OG 2.92Å
25	C	55.8	Low	60.2	Low	80 Å²	80	110.8 Å²	110.8	54%	0.541	63%	0.625	S	S	.	*	H	α-helix	trans	-65.5	-37.8	177.4	-72.7	0	0	0	0	112.8	P21 S28 Y29	P21-C25 WeakPolarHBondContact O-CB 3.45Å; P21-C25 PolarHBondContact O-N 3.48Å; P21-C25 PolarHBondContact O-SG 2.86Å; C25-S28 WeakPolarHBondContact CA-OG 3.39Å; C25-S28 PolarHBondContact O-N 2.94Å; C25-S28 PolarHBondContact O-OG 3.39Å; C25-Y29 WeakPolarHBondContact O-CB 3.21Å; C25-Y29 PolarHBondContact O-N 3.49Å; C25-Y29 VanDerWaalsContact O-N 3.07Å
26	N	61	Low	62.9	Low	106 Å²	106	111 Å²	111	57%	0.567	61%	0.613	S	S	*	*	H	α-helix	trans	-66.8	-40.4	175.4	-95.2	-13.3	0	0	0	112.2	I22 Y29 L30	I22-N26 PolarHBondContact O-N 3.43Å; N26-Y29 PolarHBondContact O-N 3Å; N26-L30 WeakPolarHBondContact O-CB 3.45Å; N26-L30 PolarHBondContact O-N 2.88Å
27	L	71.4	Confident	64.9	Low	108 Å²	108	110.3 Å²	110.3	57%	0.565	60%	0.599	S	S	*	*	H	α-helix	trans	-66.7	-40.8	176.8	-171.2	65.2	0	0	0	111.7	K23 C24 Y29 L30 L31	K23-L27 PolarHBondContact O-N 3.36Å; C24-L27 PolarHBondContact O-N 3.07Å; L27-Y29 VanDerWaalsContact C-N 3.31Å; L27-Y29 PolarHBondContact O-N 3.42Å; L27-L30 PolarHBondContact O-N 3.33Å; L27-L31 HydrophobicContact CD1-CD1 4.43Å; L27-L31 HydrophobicContact CD1-CG 4.39Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.93Å; L27-L31 HydrophobicContact CG-CG 4.33Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 2.93Å
28	S	71.8	Confident	67.4	Low	72 Å²	72	106.4 Å²	106.4	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-63.5	-37.3	176.2	61.6	0	0	0	0	112.5	C24 C25 S32	C24-S28 PolarHBondContact O-N 3.36Å; C24-S28 PolarHBondContact O-OG 2.92Å; C25-S28 WeakPolarHBondContact CA-OG 3.39Å; C25-S28 PolarHBondContact O-N 2.94Å; C25-S28 PolarHBondContact O-OG 3.39Å; S28-S32 WeakPolarHBondContact O-CB 3.5Å; S28-S32 PolarHBondContact O-N 2.98Å; S28-S32 PolarHBondContact O-OG 2.9Å
29	Y	73.6	Confident	69.8	Low	180 Å²	180	108.5 Å²	108.5	71%	0.706	57%	0.569	S	S	*	*	H	α-helix	trans	-73.2	-38.2	178.2	-160.4	-92	0	0	0	112.1	C25 N26 L27 S32 G33	C25-Y29 WeakPolarHBondContact O-CB 3.21Å; C25-Y29 PolarHBondContact O-N 3.49Å; C25-Y29 VanDerWaalsContact O-N 3.07Å; N26-Y29 PolarHBondContact O-N 3Å; L27-Y29 VanDerWaalsContact C-N 3.31Å; L27-Y29 PolarHBondContact O-N 3.42Å; Y29-S32 WeakPolarHBondContact CA-OG 3.46Å; Y29-S32 PolarHBondContact O-OG 3.03Å; Y29-G33 PolarHBondContact O-N 3.19Å
30	L	72.3	Confident	72.3	Confident	107 Å²	107	102.2 Å²	102.2	56%	0.56	55%	0.548	S	S	*	.	H	α-helix	trans	-63.8	-46.1	172	-98.7	145.2	0	0	0	111.6	N26 L27 G33 I34	N26-L30 WeakPolarHBondContact O-CB 3.45Å; N26-L30 PolarHBondContact O-N 2.88Å; L27-L30 PolarHBondContact O-N 3.33Å; L30-G33 PolarHBondContact O-N 3.29Å; L30-I34 WeakPolarHBondContact O-CB 3.49Å; L30-I34 WeakPolarHBondContact O-CD1 3.48Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.09Å
31	L	76.3	Confident	74.8	Confident	105 Å²	105	100.8 Å²	100.8	55%	0.55	54%	0.537	S	S	.	.	H	α-helix	trans	-63.6	-42.9	177.6	-72.8	170.4	0	0	0	111.7	L27 I34 D35	L27-L31 HydrophobicContact CD1-CD1 4.43Å; L27-L31 HydrophobicContact CD1-CG 4.39Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.93Å; L27-L31 HydrophobicContact CG-CG 4.33Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 2.93Å; L31-I34 PolarHBondContact O-N 3.4Å; L31-D35 WeakPolarHBondContact O-CB 3.24Å; L31-D35 PolarHBondContact O-N 2.88Å
32	S	79	Confident	76.9	Confident	52 Å²	52	99.4 Å²	99.4	36%	0.364	52%	0.523	S	S	.	.	H	α-helix	trans	-67.8	-37	176.6	68.2	0	0	0	0	112.3	S28 Y29 D35 I36	S28-S32 WeakPolarHBondContact O-CB 3.5Å; S28-S32 PolarHBondContact O-N 2.98Å; S28-S32 PolarHBondContact O-OG 2.9Å; Y29-S32 WeakPolarHBondContact CA-OG 3.46Å; Y29-S32 PolarHBondContact O-OG 3.03Å; S32-D35 PolarHBondContact O-N 3.44Å; S32-I36 WeakPolarHBondContact O-CD1 3.4Å; S32-I36 VanDerWaalsContact O-CG1 3.24Å; S32-I36 WeakPolarHBondContact O-CG1 3.37Å; S32-I36 PolarHBondContact O-N 2.96Å
33	G	82.3	Confident	78.9	Confident	32 Å²	32	101.2 Å²	101.2	33%	0.33	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-43.4	174.1	0	0	0	0	0	112.9	Y29 L30 Q37	Y29-G33 PolarHBondContact O-N 3.19Å; L30-G33 PolarHBondContact O-N 3.29Å; G33-Q37 WeakPolarHBondContact O-CG 3.34Å; G33-Q37 PolarHBondContact O-N 3.11Å; G33-Q37 VanDerWaalsContact O-N 3.11Å
34	I	85.2	Confident	81.1	Confident	105 Å²	105	98 Å²	98	54%	0.538	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.1	-68	163.8	0	0	0	110.5	L30 L31 Q37 L38	L30-I34 WeakPolarHBondContact O-CB 3.49Å; L30-I34 WeakPolarHBondContact O-CD1 3.48Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.09Å; L31-I34 PolarHBondContact O-N 3.4Å; I34-Q37 PolarHBondContact O-N 3.21Å; I34-L38 WeakPolarHBondContact O-CB 3.46Å; I34-L38 PolarHBondContact O-N 2.95Å
35	D	85.8	Confident	83.2	Confident	84 Å²	84	98 Å²	98	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-45.4	178	-173.4	-93.6	0	0	0	112.2	L31 S32 Q37 L38 H39	L31-D35 WeakPolarHBondContact O-CB 3.24Å; L31-D35 PolarHBondContact O-N 2.88Å; S32-D35 PolarHBondContact O-N 3.44Å; D35-Q37 PolarHBondContact O-N 3.03Å; D35-L38 PolarHBondContact O-N 2.92Å; D35-H39 WeakPolarHBondContact O-CB 3.21Å; D35-H39 PolarHBondContact O-CD2 3.34Å; D35-H39 PolarHBondContact O-N 2.93Å; D35-H39 IonicContact OD1-CD2 3.38Å; D35-H39 PolarHBondContact OD1-CD2 2.88Å; D35-H39 IonicContact OD1-NE2 3.93Å
36	I	88.7	Confident	85.1	Confident	89 Å²	89	100.6 Å²	100.6	46%	0.456	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-43.4	176.3	-67.8	163.2	0	0	0	111.3	S32 H39 K40	S32-I36 WeakPolarHBondContact O-CD1 3.4Å; S32-I36 VanDerWaalsContact O-CG1 3.24Å; S32-I36 WeakPolarHBondContact O-CG1 3.37Å; S32-I36 PolarHBondContact O-N 2.96Å; I36-H39 PolarHBondContact O-N 3.46Å; I36-K40 HydrophobicContact CG2-CD 4.43Å; I36-K40 WeakPolarHBondContact O-CG 3.34Å; I36-K40 PolarHBondContact O-N 3.31Å
37	Q	90.6	Very high	86.7	Confident	112 Å²	112	100.6 Å²	100.6	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-42.2	178.2	-72	-65.2	-9.7	0	0	111.6	G33 I34 D35 H39 K40 T41	G33-Q37 WeakPolarHBondContact O-CG 3.34Å; G33-Q37 PolarHBondContact O-N 3.11Å; G33-Q37 VanDerWaalsContact O-N 3.11Å; I34-Q37 PolarHBondContact O-N 3.21Å; D35-Q37 PolarHBondContact O-N 3.03Å; Q37-H39 VanDerWaalsContact C-N 3.33Å; Q37-H39 PolarHBondContact O-N 3.47Å; Q37-K40 PolarHBondContact O-N 3.45Å; Q37-T41 WeakPolarHBondContact O-CG2 3.49Å; Q37-T41 PolarHBondContact O-N 3.31Å; Q37-T41 PolarHBondContact O-OG1 3.41Å
38	L	92.5	Very high	87.9	Confident	95 Å²	95	104.4 Å²	104.4	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-60.8	-42.3	175	-175.3	65.7	0	0	0	111.5	I34 D35 K40 T41 I42	I34-L38 WeakPolarHBondContact O-CB 3.46Å; I34-L38 PolarHBondContact O-N 2.95Å; D35-L38 PolarHBondContact O-N 2.92Å; L38-K40 PolarHBondContact O-N 3.4Å; L38-T41 PolarHBondContact O-N 3.31Å; L38-T41 PolarHBondContact O-OG1 3.41Å; L38-I42 HydrophobicContact CD1-CD1 4.26Å; L38-I42 HydrophobicContact CG-CD1 3.9Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.39Å
39	H	90.4	Very high	89.1	Confident	114 Å²	114	105.7 Å²	105.7	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-39.5	175.3	-92.6	-70.8	0	0	0	112.8	D35 I36 Q37 R43	D35-H39 WeakPolarHBondContact O-CB 3.21Å; D35-H39 PolarHBondContact O-CD2 3.34Å; D35-H39 PolarHBondContact O-N 2.93Å; D35-H39 IonicContact OD1-CD2 3.38Å; D35-H39 PolarHBondContact OD1-CD2 2.88Å; D35-H39 IonicContact OD1-NE2 3.93Å; I36-H39 PolarHBondContact O-N 3.46Å; Q37-H39 VanDerWaalsContact C-N 3.33Å; Q37-H39 PolarHBondContact O-N 3.47Å; H39-R43 WeakPolarHBondContact O-CB 3.29Å; H39-R43 PolarHBondContact O-N 2.87Å
40	K	93.4	Very high	90.2	Very high	110 Å²	110	101.6 Å²	101.6	48%	0.478	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-45.6	175.1	-74.3	176.4	-178.5	-179.9	0	111.8	I36 Q37 L38 R43 Q44	I36-K40 HydrophobicContact CG2-CD 4.43Å; I36-K40 WeakPolarHBondContact O-CG 3.34Å; I36-K40 PolarHBondContact O-N 3.31Å; Q37-K40 PolarHBondContact O-N 3.45Å; L38-K40 PolarHBondContact O-N 3.4Å; K40-R43 PolarHBondContact O-N 3.38Å; K40-Q44 WeakPolarHBondContact O-CG 3.48Å; K40-Q44 PolarHBondContact O-N 2.97Å
41	T	94.7	Very high	91.4	Very high	63 Å²	63	100.3 Å²	100.3	39%	0.387	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-42	179	56.7	0	0	0	0	111.7	Q37 L38 R43 Q44 V45	Q37-T41 WeakPolarHBondContact O-CG2 3.49Å; Q37-T41 PolarHBondContact O-N 3.31Å; Q37-T41 PolarHBondContact O-OG1 3.41Å; L38-T41 PolarHBondContact O-N 3.31Å; L38-T41 PolarHBondContact O-OG1 3.41Å; T41-R43 VanDerWaalsContact C-N 3.3Å; T41-R43 PolarHBondContact O-N 3.27Å; T41-Q44 PolarHBondContact O-N 3.39Å; T41-V45 WeakPolarHBondContact O-CB 3.41Å; T41-V45 VanDerWaalsContact O-CG2 3.29Å; T41-V45 WeakPolarHBondContact O-CG2 3.34Å; T41-V45 PolarHBondContact O-N 2.97Å
42	I	94.4	Very high	92.3	Very high	70 Å²	70	100.2 Å²	100.2	36%	0.359	50%	0.499	S	S	.	.	H	α-helix	trans	-58.5	-43.4	174	-70.8	168	0	0	0	110.8	L38 V45 K46	L38-I42 HydrophobicContact CD1-CD1 4.26Å; L38-I42 HydrophobicContact CG-CD1 3.9Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.39Å; I42-V45 PolarHBondContact O-N 3.44Å; I42-K46 HydrophobicContact CG2-CD 4.25Å; I42-K46 WeakPolarHBondContact O-CG 3.36Å; I42-K46 PolarHBondContact O-N 3.43Å
43	R	94.9	Very high	93.2	Very high	172 Å²	172	102.1 Å²	102.1	65%	0.649	50%	0.502	S	S	*	.	H	α-helix	trans	-62.5	-48.2	177.3	-172.5	-179.2	-167.2	148.9	7.1	111.6	H39 K40 T41 V45 K46 E47	H39-R43 WeakPolarHBondContact O-CB 3.29Å; H39-R43 PolarHBondContact O-N 2.87Å; K40-R43 PolarHBondContact O-N 3.38Å; T41-R43 VanDerWaalsContact C-N 3.3Å; T41-R43 PolarHBondContact O-N 3.27Å; R43-V45 VanDerWaalsContact C-N 3.32Å; R43-V45 PolarHBondContact O-N 3.38Å; R43-K46 PolarHBondContact O-N 2.96Å; R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact NE-OE1 3.86Å; R43-E47 PolarHBondContact NE-OE1 2.95Å; R43-E47 WeakPolarHBondContact O-CG 3.5Å; R43-E47 PolarHBondContact O-N 2.98Å
44	Q	96.1	Very high	93.9	Very high	107 Å²	107	103.2 Å²	103.2	50%	0.5	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-40.8	177.2	-73.2	175.6	-6.8	0	0	112.3	K40 T41 E47 R48	K40-Q44 WeakPolarHBondContact O-CG 3.48Å; K40-Q44 PolarHBondContact O-N 2.97Å; T41-Q44 PolarHBondContact O-N 3.39Å; Q44-E47 PolarHBondContact O-N 3.02Å; Q44-R48 WeakPolarHBondContact O-CG 3.37Å; Q44-R48 PolarHBondContact O-N 3.21Å
45	V	96.5	Very high	94.4	Very high	95 Å²	95	105.7 Å²	105.7	58%	0.576	51%	0.511	S	S	*	.	H	α-helix	trans	-65.3	-42.1	176.4	170.4	0	0	0	0	111	T41 I42 R43 R48 L49	T41-V45 WeakPolarHBondContact O-CB 3.41Å; T41-V45 VanDerWaalsContact O-CG2 3.29Å; T41-V45 WeakPolarHBondContact O-CG2 3.34Å; T41-V45 PolarHBondContact O-N 2.97Å; I42-V45 PolarHBondContact O-N 3.44Å; R43-V45 VanDerWaalsContact C-N 3.32Å; R43-V45 PolarHBondContact O-N 3.38Å; V45-R48 PolarHBondContact O-N 3.29Å; V45-L49 WeakPolarHBondContact O-CB 3.38Å; V45-L49 PolarHBondContact O-N 3.02Å
46	K	95.7	Very high	95	Very high	135 Å²	135	110 Å²	110	59%	0.587	52%	0.522	S	S	*	.	H	α-helix	trans	-61.8	-44.4	175.3	-75.5	177.9	178.2	-175.3	0	112.1	I42 R43 L49 V50	I42-K46 HydrophobicContact CG2-CD 4.25Å; I42-K46 WeakPolarHBondContact O-CG 3.36Å; I42-K46 PolarHBondContact O-N 3.43Å; R43-K46 PolarHBondContact O-N 2.96Å; K46-L49 PolarHBondContact O-N 3.2Å; K46-V50 WeakPolarHBondContact O-CG2 3.41Å; K46-V50 PolarHBondContact O-N 3.3Å
47	E	96.2	Very high	95.3	Very high	106 Å²	106	113.9 Å²	113.9	50%	0.495	53%	0.531	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.3	-72.6	167	-172.7	0	0	111.3	R43 Q44 L49 V50 V51	R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact NE-OE1 3.86Å; R43-E47 PolarHBondContact NE-OE1 2.95Å; R43-E47 WeakPolarHBondContact O-CG 3.5Å; R43-E47 PolarHBondContact O-N 2.98Å; Q44-E47 PolarHBondContact O-N 3.02Å; E47-L49 PolarHBondContact O-N 3.37Å; E47-V50 PolarHBondContact O-N 3.44Å; E47-V51 WeakPolarHBondContact O-CG2 3.46Å; E47-V51 PolarHBondContact O-N 3.37Å
48	R	96.7	Very high	95.6	Very high	188 Å²	188	114.3 Å²	114.3	71%	0.709	53%	0.533	S	S	*	.	H	α-helix	trans	-63.2	-40	174.2	-72.5	-179.5	-175.3	-155	1.9	112.8	Q44 V45 V50 V51 E52	Q44-R48 WeakPolarHBondContact O-CG 3.37Å; Q44-R48 PolarHBondContact O-N 3.21Å; V45-R48 PolarHBondContact O-N 3.29Å; R48-V50 VanDerWaalsContact C-N 3.35Å; R48-V51 PolarHBondContact O-N 2.87Å; R48-E52 WeakPolarHBondContact O-CB 3.43Å; R48-E52 PolarHBondContact O-N 3.05Å
49	L	96.9	Very high	95.7	Very high	99 Å²	99	115 Å²	115	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-44	177.5	-177.6	67.3	0	0	0	111.1	V45 K46 E47 V51 E52 E53	V45-L49 WeakPolarHBondContact O-CB 3.38Å; V45-L49 PolarHBondContact O-N 3.02Å; K46-L49 PolarHBondContact O-N 3.2Å; E47-L49 PolarHBondContact O-N 3.37Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 3.49Å; L49-E52 PolarHBondContact O-N 3.4Å; L49-E53 HydrophobicContact CG-CG 4.47Å; L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 WeakPolarHBondContact O-CG 3.42Å; L49-E53 PolarHBondContact O-N 3.32Å
50	V	96.5	Very high	96	Very high	94 Å²	94	112.2 Å²	112.2	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-42.3	177.1	172.3	0	0	0	0	111.5	K46 E47 R48 A54	K46-V50 WeakPolarHBondContact O-CG2 3.41Å; K46-V50 PolarHBondContact O-N 3.3Å; E47-V50 PolarHBondContact O-N 3.44Å; R48-V50 VanDerWaalsContact C-N 3.35Å; V50-A54 PolarHBondContact O-N 3.44Å
51	V	96.3	Very high	96	Very high	80 Å²	80	113.7 Å²	113.7	49%	0.485	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-41.8	176.7	174.2	0	0	0	0	111.3	E47 R48 L49 A54 R55	E47-V51 WeakPolarHBondContact O-CG2 3.46Å; E47-V51 PolarHBondContact O-N 3.37Å; R48-V51 PolarHBondContact O-N 2.87Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 3.49Å; V51-A54 WeakPolarHBondContact O-CB 3.5Å; V51-A54 PolarHBondContact O-N 2.85Å; V51-R55 WeakPolarHBondContact O-CG 3.38Å; V51-R55 PolarHBondContact O-N 3.2Å; V51-R55 VanDerWaalsContact O-N 3.09Å
52	E	96.2	Very high	96.1	Very high	102 Å²	102	115 Å²	115	48%	0.477	54%	0.544	S	S	.	.	H	α-helix	trans	-71.4	-37.8	-179.7	-159.9	59.3	-150.3	0	0	112.2	R48 L49 A54 R55 Y56	R48-E52 WeakPolarHBondContact O-CB 3.43Å; R48-E52 PolarHBondContact O-N 3.05Å; L49-E52 PolarHBondContact O-N 3.4Å; E52-A54 VanDerWaalsContact C-N 3.29Å; E52-A54 PolarHBondContact O-N 2.92Å; E52-R55 WeakPolarHBondContact O-CB 3.44Å; E52-R55 PolarHBondContact O-N 3.24Å; E52-R55 WeakPolarHBondContact OE2-CD 3.34Å; E52-R55 IonicContact OE2-CZ 3.38Å; E52-R55 IonicContact OE2-NH1 3.92Å; E52-R55 PolarHBondContact OE2-NH1 3.17Å; E52-Y56 PolarHBondContact O-N 3.09Å
53	E	97.3	Very high	96.2	Very high	92 Å²	92	119.2 Å²	119.2	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-59.9	-39.1	170.7	-76.5	179.4	-176.7	0	0	111.8	L49 Y56 R57	L49-E53 HydrophobicContact CG-CG 4.47Å; L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 WeakPolarHBondContact O-CG 3.42Å; L49-E53 PolarHBondContact O-N 3.32Å; E53-Y56 PolarHBondContact O-N 3.06Å; E53-R57 WeakPolarHBondContact O-CG 3.47Å; E53-R57 PolarHBondContact O-N 3.07Å
54	A	96.2	Very high	96.2	Very high	56 Å²	56	112.7 Å²	112.7	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175.1	0	0	0	0	0	112	V50 V51 E52 R57 Q58	V50-A54 PolarHBondContact O-N 3.44Å; V51-A54 WeakPolarHBondContact O-CB 3.5Å; V51-A54 PolarHBondContact O-N 2.85Å; E52-A54 VanDerWaalsContact C-N 3.29Å; E52-A54 PolarHBondContact O-N 2.92Å; A54-R57 PolarHBondContact O-N 2.95Å; A54-Q58 PolarHBondContact O-N 3.43Å
55	R	97.2	Very high	96.1	Very high	157 Å²	157	112.3 Å²	112.3	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-62.6	-43.1	174.5	-71.7	171.9	174.9	177.7	-5.9	112.2	V51 E52 R57 Q58 L59	V51-R55 WeakPolarHBondContact O-CG 3.38Å; V51-R55 PolarHBondContact O-N 3.2Å; V51-R55 VanDerWaalsContact O-N 3.09Å; E52-R55 WeakPolarHBondContact O-CB 3.44Å; E52-R55 PolarHBondContact O-N 3.24Å; E52-R55 WeakPolarHBondContact OE2-CD 3.34Å; E52-R55 IonicContact OE2-CZ 3.38Å; E52-R55 IonicContact OE2-NH1 3.92Å; E52-R55 PolarHBondContact OE2-NH1 3.17Å; R55-R57 VanDerWaalsContact C-N 3.32Å; R55-R57 PolarHBondContact O-N 3.34Å; R55-Q58 WeakPolarHBondContact O-CB 3.35Å; R55-Q58 PolarHBondContact O-N 3.43Å; R55-Q58 VanDerWaalsContact O-N 3.17Å; R55-L59 PolarHBondContact O-N 3.42Å
56	Y	96.8	Very high	96.1	Very high	173 Å²	173	113.1 Å²	113.1	68%	0.678	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-38.4	176.9	-170.2	-94.8	0	0	0	112	E52 E53 L59 A60	E52-Y56 PolarHBondContact O-N 3.09Å; E53-Y56 PolarHBondContact O-N 3.06Å; Y56-L59 PolarHBondContact O-N 3.49Å; Y56-A60 WeakPolarHBondContact O-CB 3.47Å; Y56-A60 PolarHBondContact O-N 3.4Å
57	R	96.4	Very high	96.1	Very high	171 Å²	171	109.4 Å²	109.4	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-62.9	-40.1	172.7	-70.7	177.4	-165	-162.9	6	112.4	E53 A54 R55 A60 K61	E53-R57 WeakPolarHBondContact O-CG 3.47Å; E53-R57 PolarHBondContact O-N 3.07Å; A54-R57 PolarHBondContact O-N 2.95Å; R55-R57 VanDerWaalsContact C-N 3.32Å; R55-R57 PolarHBondContact O-N 3.34Å; R57-A60 PolarHBondContact O-N 3.05Å; R57-K61 WeakPolarHBondContact O-CG 3.44Å; R57-K61 PolarHBondContact O-N 3.4Å
58	Q	96	Very high	96	Very high	122 Å²	122	109.9 Å²	109.9	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-62.3	-46.6	174.8	-165.9	90	3.2	0	0	111	A54 R55 A60 K61 L62	A54-Q58 PolarHBondContact O-N 3.43Å; R55-Q58 WeakPolarHBondContact O-CB 3.35Å; R55-Q58 PolarHBondContact O-N 3.43Å; R55-Q58 VanDerWaalsContact O-N 3.17Å; Q58-A60 VanDerWaalsContact C-N 3.31Å; Q58-A60 PolarHBondContact O-N 3.32Å; Q58-K61 WeakPolarHBondContact O-CB 3.41Å; Q58-K61 PolarHBondContact O-N 3.04Å; Q58-L62 PolarHBondContact O-N 2.93Å
59	L	96.2	Very high	95.9	Very high	109 Å²	109	107.9 Å²	107.9	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-61.7	-39.2	178.7	-174.6	66.1	0	0	0	112	R55 Y56 K61 L62 K63	R55-L59 PolarHBondContact O-N 3.42Å; Y56-L59 PolarHBondContact O-N 3.49Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.96Å; L59-L62 PolarHBondContact O-N 3.45Å; L59-K63 WeakPolarHBondContact O-CB 3.49Å; L59-K63 PolarHBondContact O-N 3.19Å
60	A	95	Very high	95.8	Very high	56 Å²	56	106.3 Å²	106.3	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-39.2	176	0	0	0	0	0	112.5	Y56 R57 Q58 G64	Y56-A60 WeakPolarHBondContact O-CB 3.47Å; Y56-A60 PolarHBondContact O-N 3.4Å; R57-A60 PolarHBondContact O-N 3.05Å; Q58-A60 VanDerWaalsContact C-N 3.31Å; Q58-A60 PolarHBondContact O-N 3.32Å; A60-G64 PolarHBondContact O-N 3.29Å; A60-G64 VanDerWaalsContact O-N 3.16Å
61	K	95.1	Very high	95.7	Very high	140 Å²	140	107.4 Å²	107.4	61%	0.609	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-50.8	174.1	-69.4	177.7	179.6	-174.7	0	111.7	R57 Q58 L59 K63 G64 E65	R57-K61 WeakPolarHBondContact O-CG 3.44Å; R57-K61 PolarHBondContact O-N 3.4Å; Q58-K61 WeakPolarHBondContact O-CB 3.41Å; Q58-K61 PolarHBondContact O-N 3.04Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.96Å; K61-K63 VanDerWaalsContact C-N 3.26Å; K61-K63 PolarHBondContact O-N 3.16Å; K61-G64 WeakPolarHBondContact O-CA 3.41Å; K61-G64 PolarHBondContact O-N 2.91Å; K61-E65 PolarHBondContact O-N 2.94Å
62	L	95.9	Very high	95.5	Very high	91 Å²	91	107.5 Å²	107.5	48%	0.476	54%	0.539	S	S	.	.	H	α-helix	trans	-59	-37.3	178.3	-71.9	171.5	0	0	0	112.3	Q58 L59 G64 E65 L66	Q58-L62 PolarHBondContact O-N 2.93Å; L59-L62 PolarHBondContact O-N 3.45Å; L62-G64 VanDerWaalsContact C-N 3.35Å; L62-E65 PolarHBondContact O-N 2.99Å; L62-L66 WeakPolarHBondContact O-CB 3.15Å; L62-L66 PolarHBondContact O-N 3.2Å
63	K	96.3	Very high	95.5	Very high	158 Å²	158	109.8 Å²	109.8	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-64.6	-38.5	174.4	-172.6	179.1	179	-178.3	0	112.2	L59 K61 A67	L59-K63 WeakPolarHBondContact O-CB 3.49Å; L59-K63 PolarHBondContact O-N 3.19Å; K61-K63 VanDerWaalsContact C-N 3.26Å; K61-K63 PolarHBondContact O-N 3.16Å; K63-A67 PolarHBondContact O-N 3.11Å; K63-A67 VanDerWaalsContact O-N 3.11Å
64	G	95.2	Very high	95.4	Very high	35 Å²	35	111 Å²	111	36%	0.361	55%	0.55	S	S	.	.	H	α-helix	trans	-65.2	-44.7	174	0	0	0	0	0	112.3	A60 K61 L62 L66 A67 N68	A60-G64 PolarHBondContact O-N 3.29Å; A60-G64 VanDerWaalsContact O-N 3.16Å; K61-G64 WeakPolarHBondContact O-CA 3.41Å; K61-G64 PolarHBondContact O-N 2.91Å; L62-G64 VanDerWaalsContact C-N 3.35Å; G64-L66 PolarHBondContact O-N 3.36Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 2.73Å; G64-N68 PolarHBondContact O-N 3.01Å; G64-N68 VanDerWaalsContact O-N 3.09Å
65	E	94.7	Very high	95.3	Very high	99 Å²	99	111.4 Å²	111.4	46%	0.463	55%	0.549	S	S	.	.	H	α-helix	trans	-59.6	-45	174.5	-70.3	168.4	-161.4	0	0	111.5	K61 L62 A67 N68 Y69	K61-E65 PolarHBondContact O-N 2.94Å; L62-E65 PolarHBondContact O-N 2.99Å; E65-A67 VanDerWaalsContact C-N 3.3Å; E65-A67 PolarHBondContact O-N 3.47Å; E65-N68 WeakPolarHBondContact O-CB 3.48Å; E65-N68 PolarHBondContact O-N 2.97Å; E65-N68 VanDerWaalsContact O-N 3.13Å; E65-Y69 WeakPolarHBondContact O-CD2 3.35Å; E65-Y69 PolarHBondContact O-N 3.13Å
66	L	95.9	Very high	95.2	Very high	113 Å²	113	107.8 Å²	107.8	59%	0.592	54%	0.541	S	S	*	.	H	α-helix	trans	-59.9	-38.5	176.2	-178.6	62.4	0	0	0	112.4	L62 G64 Y69 T70	L62-L66 WeakPolarHBondContact O-CB 3.15Å; L62-L66 PolarHBondContact O-N 3.2Å; G64-L66 PolarHBondContact O-N 3.36Å; L66-Y69 PolarHBondContact O-N 3.42Å; L66-T70 WeakPolarHBondContact O-CB 3.47Å; L66-T70 PolarHBondContact O-N 3.02Å; L66-T70 PolarHBondContact O-OG1 3.43Å
67	A	95	Very high	95.2	Very high	57 Å²	57	103.9 Å²	103.9	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-40.2	175.6	0	0	0	0	0	111.9	K63 G64 E65 T70 L71	K63-A67 PolarHBondContact O-N 3.11Å; K63-A67 VanDerWaalsContact O-N 3.11Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 2.73Å; E65-A67 VanDerWaalsContact C-N 3.3Å; E65-A67 PolarHBondContact O-N 3.47Å; A67-T70 WeakPolarHBondContact O-CB 3.45Å; A67-T70 PolarHBondContact O-N 3.3Å; A67-L71 PolarHBondContact O-N 3.47Å
68	N	94.2	Very high	95.1	Very high	116 Å²	116	101.5 Å²	101.5	62%	0.62	53%	0.527	S	S	*	.	H	α-helix	trans	-64.1	-44.9	175.8	-67.3	-12.8	0	0	0	111.8	G64 E65 T70 L71 C72	G64-N68 PolarHBondContact O-N 3.01Å; G64-N68 VanDerWaalsContact O-N 3.09Å; E65-N68 WeakPolarHBondContact O-CB 3.48Å; E65-N68 PolarHBondContact O-N 2.97Å; E65-N68 VanDerWaalsContact O-N 3.13Å; N68-T70 VanDerWaalsContact C-N 3.3Å; N68-T70 PolarHBondContact O-N 3.45Å; N68-L71 PolarHBondContact O-N 3.09Å; N68-C72 WeakPolarHBondContact O-CB 3.12Å; N68-C72 PolarHBondContact O-N 2.92Å
69	Y	94.4	Very high	95	Very high	146 Å²	146	100.6 Å²	100.6	57%	0.573	52%	0.522	S	S	*	.	H	α-helix	trans	-60.5	-41.2	174	-77.2	-65.9	0	0	0	111.6	E65 L66 L71 C72 Y73	E65-Y69 WeakPolarHBondContact O-CD2 3.35Å; E65-Y69 PolarHBondContact O-N 3.13Å; L66-Y69 PolarHBondContact O-N 3.42Å; Y69-L71 PolarHBondContact O-N 3.21Å; Y69-C72 PolarHBondContact O-N 3.46Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.49Å; Y69-Y73 PolarHBondContact O-N 3.46Å
70	T	95.2	Very high	95	Very high	66 Å²	66	100.6 Å²	100.6	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-60.1	-44.9	177.8	-55.7	0	0	0	0	111.4	L66 A67 N68 Y73 Q74	L66-T70 WeakPolarHBondContact O-CB 3.47Å; L66-T70 PolarHBondContact O-N 3.02Å; L66-T70 PolarHBondContact O-OG1 3.43Å; A67-T70 WeakPolarHBondContact O-CB 3.45Å; A67-T70 PolarHBondContact O-N 3.3Å; N68-T70 VanDerWaalsContact C-N 3.3Å; N68-T70 PolarHBondContact O-N 3.45Å; T70-Y73 PolarHBondContact O-N 3.28Å; T70-Q74 WeakPolarHBondContact O-CG 3.48Å; T70-Q74 PolarHBondContact O-N 2.94Å
71	L	93.9	Very high	95.1	Very high	116 Å²	116	103.6 Å²	103.6	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-40.7	177.4	-172.1	68	0	0	0	112	A67 N68 Y69 Q74 S75	A67-L71 PolarHBondContact O-N 3.47Å; N68-L71 PolarHBondContact O-N 3.09Å; Y69-L71 PolarHBondContact O-N 3.21Å; L71-Q74 PolarHBondContact O-N 2.9Å; L71-S75 PolarHBondContact O-N 2.99Å
72	C	92.9	Very high	95.1	Very high	83 Å²	83	102 Å²	102	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-61.3	-45.6	176	-176.4	0	0	0	0	111.6	N68 Y69 Q74 S75 L76	N68-C72 WeakPolarHBondContact O-CB 3.12Å; N68-C72 PolarHBondContact O-N 2.92Å; Y69-C72 PolarHBondContact O-N 3.46Å; C72-Q74 PolarHBondContact O-N 3.28Å; C72-S75 PolarHBondContact O-N 3.41Å; C72-L76 PolarHBondContact O-N 3.36Å
73	Y	95.5	Very high	95	Very high	150 Å²	150	101.1 Å²	101.1	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-64.8	-36.6	175.9	-78.8	-61.9	0	0	0	112.8	Y69 T70 L76 I77	Y69-Y73 WeakPolarHBondContact O-CD2 3.49Å; Y69-Y73 PolarHBondContact O-N 3.46Å; T70-Y73 PolarHBondContact O-N 3.28Å; Y73-L76 PolarHBondContact O-N 3.3Å; Y73-I77 WeakPolarHBondContact O-CD1 3.46Å; Y73-I77 VanDerWaalsContact O-CG1 3.23Å; Y73-I77 WeakPolarHBondContact O-CG1 3.23Å; Y73-I77 PolarHBondContact O-N 3.12Å
74	Q	96.2	Very high	95	Very high	117 Å²	117	97.3 Å²	97.3	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-41.9	174.2	-75.3	174.9	-15.6	0	0	112.2	T70 L71 C72 I77 H78	T70-Q74 WeakPolarHBondContact O-CG 3.48Å; T70-Q74 PolarHBondContact O-N 2.94Å; L71-Q74 PolarHBondContact O-N 2.9Å; C72-Q74 PolarHBondContact O-N 3.28Å; Q74-I77 PolarHBondContact O-N 3.22Å; Q74-H78 PolarHBondContact O-N 2.98Å; Q74-H78 VanDerWaalsContact O-N 3.12Å
75	S	93.5	Very high	95.1	Very high	64 Å²	64	99 Å²	99	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.1	-166.5	0	0	0	0	111.5	L71 C72 I77 H78 E79	L71-S75 PolarHBondContact O-N 2.99Å; C72-S75 PolarHBondContact O-N 3.41Å; S75-I77 PolarHBondContact O-N 3.02Å; S75-H78 PolarHBondContact O-N 2.83Å; S75-E79 PolarHBondContact O-N 3.47Å
76	L	94.9	Very high	95.1	Very high	81 Å²	81	100.3 Å²	100.3	42%	0.424	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-39.4	178.7	-175.9	63.5	0	0	0	112.2	C72 Y73 H78 E79 L80	C72-L76 PolarHBondContact O-N 3.36Å; Y73-L76 PolarHBondContact O-N 3.3Å; L76-H78 VanDerWaalsContact C-N 3.34Å; L76-E79 PolarHBondContact O-N 3.27Å; L76-L80 HydrophobicContact CG-CD1 4.48Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.97Å
77	I	96.2	Very high	95.1	Very high	91 Å²	91	98.8 Å²	98.8	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-60.7	-45.1	174.8	-71.7	164.1	0	0	0	110.4	Y73 Q74 S75 E79 L80 E81	Y73-I77 WeakPolarHBondContact O-CD1 3.46Å; Y73-I77 VanDerWaalsContact O-CG1 3.23Å; Y73-I77 WeakPolarHBondContact O-CG1 3.23Å; Y73-I77 PolarHBondContact O-N 3.12Å; Q74-I77 PolarHBondContact O-N 3.22Å; S75-I77 PolarHBondContact O-N 3.02Å; I77-E79 PolarHBondContact O-N 3.36Å; I77-L80 WeakPolarHBondContact O-CB 3.41Å; I77-L80 PolarHBondContact O-N 3.01Å; I77-E81 HydrophobicContact CG2-CG 4.49Å; I77-E81 WeakPolarHBondContact O-CG 3.48Å; I77-E81 PolarHBondContact O-N 3.3Å
78	H	95	Very high	95.2	Very high	122 Å²	122	101.2 Å²	101.2	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-63.7	-39.6	178.2	-176.9	-86.6	0	0	0	112.5	Q74 S75 L76 L80 E81 Q82	Q74-H78 PolarHBondContact O-N 2.98Å; Q74-H78 VanDerWaalsContact O-N 3.12Å; S75-H78 PolarHBondContact O-N 2.83Å; L76-H78 VanDerWaalsContact C-N 3.34Å; H78-L80 VanDerWaalsContact C-N 3.34Å; H78-E81 PolarHBondContact O-N 3.38Å; H78-Q82 PolarHBondContact O-N 2.84Å
79	E	94.9	Very high	95.3	Very high	102 Å²	102	99.5 Å²	99.5	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-41.7	173	-73.1	176.2	-159.4	0	0	112	S75 L76 I77 Q82 V83	S75-E79 PolarHBondContact O-N 3.47Å; L76-E79 PolarHBondContact O-N 3.27Å; I77-E79 PolarHBondContact O-N 3.36Å; E79-Q82 PolarHBondContact O-N 3.19Å; E79-V83 WeakPolarHBondContact O-CG2 3.28Å; E79-V83 PolarHBondContact O-N 3Å
80	L	95.6	Very high	95.4	Very high	109 Å²	109	99.5 Å²	99.5	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-64.7	-41.3	176.1	-72.1	173.5	0	0	0	112.1	L76 I77 H78 Q82 V83 N84	L76-L80 HydrophobicContact CG-CD1 4.48Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.97Å; I77-L80 WeakPolarHBondContact O-CB 3.41Å; I77-L80 PolarHBondContact O-N 3.01Å; H78-L80 VanDerWaalsContact C-N 3.34Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.46Å; L80-V83 PolarHBondContact O-N 3.31Å; L80-N84 WeakPolarHBondContact O-CB 3.38Å; L80-N84 PolarHBondContact O-N 2.9Å
81	E	97.2	Very high	95.4	Very high	119 Å²	119	101.3 Å²	101.3	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-39.8	174.5	-72.9	173.4	166.6	0	0	111.7	I77 H78 N84 S85	I77-E81 HydrophobicContact CG2-CG 4.49Å; I77-E81 WeakPolarHBondContact O-CG 3.48Å; I77-E81 PolarHBondContact O-N 3.3Å; H78-E81 PolarHBondContact O-N 3.38Å; E81-N84 PolarHBondContact O-N 2.91Å; E81-S85 PolarHBondContact O-N 3.29Å
82	Q	95.1	Very high	95.5	Very high	106 Å²	106	102 Å²	102	50%	0.495	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-41.7	175.8	-166.6	-173	27.9	0	0	112	H78 E79 L80 K86	H78-Q82 PolarHBondContact O-N 2.84Å; E79-Q82 PolarHBondContact O-N 3.19Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.46Å; Q82-K86 WeakPolarHBondContact O-CG 3.41Å; Q82-K86 PolarHBondContact O-N 3.16Å; Q82-K86 VanDerWaalsContact O-N 3.14Å
83	V	93.8	Very high	95.6	Very high	73 Å²	73	100.1 Å²	100.1	44%	0.442	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-41.8	174.4	173.2	0	0	0	0	110.6	E79 L80 S85 K86 I87	E79-V83 WeakPolarHBondContact O-CG2 3.28Å; E79-V83 PolarHBondContact O-N 3Å; L80-V83 PolarHBondContact O-N 3.31Å; V83-S85 PolarHBondContact O-N 3.3Å; V83-K86 WeakPolarHBondContact O-CB 3.39Å; V83-K86 PolarHBondContact O-N 3.43Å; V83-K86 VanDerWaalsContact O-N 3.17Å; V83-I87 HydrophobicContact CG1-CD1 3.94Å; V83-I87 HydrophobicContact CG1-CG1 4.45Å; V83-I87 WeakPolarHBondContact O-CG1 3.38Å; V83-I87 PolarHBondContact O-N 3.1Å
84	N	95.9	Very high	95.7	Very high	79 Å²	79	98.2 Å²	98.2	42%	0.422	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-43.3	177.1	-170.3	69.7	0	0	0	111.8	L80 E81 K86 I87 E88	L80-N84 WeakPolarHBondContact O-CB 3.38Å; L80-N84 PolarHBondContact O-N 2.9Å; E81-N84 PolarHBondContact O-N 2.91Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.49Å; N84-I87 WeakPolarHBondContact O-CB 3.42Å; N84-I87 PolarHBondContact O-N 3.41Å; N84-I87 VanDerWaalsContact O-N 3.13Å; N84-E88 PolarHBondContact ND2-OE1 3.01Å; N84-E88 WeakPolarHBondContact O-CG 3.46Å; N84-E88 PolarHBondContact O-N 3.17Å
85	S	96.7	Very high	95.7	Very high	71 Å²	71	97.5 Å²	97.5	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-39.1	174.4	178.5	0	0	0	0	112.8	E81 V83 E88 S89	E81-S85 PolarHBondContact O-N 3.29Å; V83-S85 PolarHBondContact O-N 3.3Å; S85-E88 PolarHBondContact O-N 3.14Å; S85-S89 PolarHBondContact O-N 2.96Å
86	K	96.1	Very high	95.8	Very high	126 Å²	126	99.4 Å²	99.4	55%	0.548	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-40.2	173.6	-71.8	173.5	-178.1	173.8	0	111.9	Q82 V83 N84 S89 K90	Q82-K86 WeakPolarHBondContact O-CG 3.41Å; Q82-K86 PolarHBondContact O-N 3.16Å; Q82-K86 VanDerWaalsContact O-N 3.14Å; V83-K86 WeakPolarHBondContact O-CB 3.39Å; V83-K86 PolarHBondContact O-N 3.43Å; V83-K86 VanDerWaalsContact O-N 3.17Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.49Å; K86-S89 PolarHBondContact O-N 2.91Å; K86-K90 WeakPolarHBondContact O-CG 3.45Å; K86-K90 PolarHBondContact O-N 2.82Å; K86-K90 VanDerWaalsContact O-N 3.09Å
87	I	94.8	Very high	95.9	Very high	81 Å²	81	98.6 Å²	98.6	42%	0.415	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-48.3	176.7	-70.7	168.3	0	0	0	110.2	V83 N84 S89 K90 Q91	V83-I87 HydrophobicContact CG1-CD1 3.94Å; V83-I87 HydrophobicContact CG1-CG1 4.45Å; V83-I87 WeakPolarHBondContact O-CG1 3.38Å; V83-I87 PolarHBondContact O-N 3.1Å; N84-I87 WeakPolarHBondContact O-CB 3.42Å; N84-I87 PolarHBondContact O-N 3.41Å; N84-I87 VanDerWaalsContact O-N 3.13Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 3.13Å; I87-K90 CarbonylContact O-C 3.59Å; I87-K90 PolarHBondContact O-N 2.93Å; I87-K90 VanDerWaalsContact O-N 3.1Å; I87-Q91 HydrophobicContact CG2-CG 4.27Å; I87-Q91 WeakPolarHBondContact O-CG 3.42Å; I87-Q91 PolarHBondContact O-N 3.39Å
88	E	97	Very high	95.9	Very high	107 Å²	107	98.8 Å²	98.8	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-59.3	-43.2	178.1	-71.9	171.1	178.7	0	0	112	N84 S85 K90 Q91 F92	N84-E88 PolarHBondContact ND2-OE1 3.01Å; N84-E88 WeakPolarHBondContact O-CG 3.46Å; N84-E88 PolarHBondContact O-N 3.17Å; S85-E88 PolarHBondContact O-N 3.14Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 3.46Å; E88-Q91 PolarHBondContact O-N 3.39Å; E88-F92 PolarHBondContact O-N 3.41Å
89	S	96.4	Very high	96.1	Very high	80 Å²	80	98.9 Å²	98.9	56%	0.559	50%	0.499	S	S	*	.	H	α-helix	trans	-59.9	-40.5	174.6	175.5	0	0	0	0	112.4	S85 K86 I87 A93	S85-S89 PolarHBondContact O-N 2.96Å; K86-S89 PolarHBondContact O-N 2.91Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 3.13Å; S89-A93 PolarHBondContact O-N 3.47Å; S89-A93 VanDerWaalsContact O-N 3.15Å
90	K	95.8	Very high	96.2	Very high	146 Å²	146	96.4 Å²	96.4	64%	0.635	49%	0.493	S	S	*	.	H	α-helix	trans	-72.7	-36.6	177.1	-69.9	-65.1	-176.3	-177.7	0	112.5	K86 I87 E88 A93 L94	K86-K90 WeakPolarHBondContact O-CG 3.45Å; K86-K90 PolarHBondContact O-N 2.82Å; K86-K90 VanDerWaalsContact O-N 3.09Å; I87-K90 CarbonylContact O-C 3.59Å; I87-K90 PolarHBondContact O-N 2.93Å; I87-K90 VanDerWaalsContact O-N 3.1Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 3.46Å; K90-A93 PolarHBondContact O-N 3.04Å; K90-L94 WeakPolarHBondContact O-CG 3.3Å; K90-L94 PolarHBondContact O-N 3.25Å
91	Q	95.9	Very high	96.3	Very high	104 Å²	104	96.2 Å²	96.2	49%	0.486	49%	0.492	S	S	.	.	H	α-helix	trans	-60.2	-45.9	172.8	-75.1	173.8	-20.6	0	0	110.9	I87 E88 A93 L94 E95	I87-Q91 HydrophobicContact CG2-CG 4.27Å; I87-Q91 WeakPolarHBondContact O-CG 3.42Å; I87-Q91 PolarHBondContact O-N 3.39Å; E88-Q91 PolarHBondContact O-N 3.39Å; Q91-A93 VanDerWaalsContact C-N 3.31Å; Q91-A93 PolarHBondContact O-N 3.38Å; Q91-L94 PolarHBondContact O-N 3.38Å; Q91-L94 VanDerWaalsContact O-N 3.15Å; Q91-E95 WeakPolarHBondContact O-CG 3.39Å; Q91-E95 PolarHBondContact O-N 2.83Å
92	F	96.7	Very high	96.3	Very high	130 Å²	130	96.3 Å²	96.3	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-59.4	-41	175	-177.7	-95.7	0	0	0	112.7	E88 E95 H96	E88-F92 PolarHBondContact O-N 3.41Å; F92-E95 PolarHBondContact O-N 3.25Å; F92-H96 PolarHBondContact O-N 3.45Å
93	A	95.6	Very high	96.4	Very high	45 Å²	45	95.2 Å²	95.2	37%	0.372	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-40.2	175.7	0	0	0	0	0	112.3	S89 K90 Q91 H96 C97	S89-A93 PolarHBondContact O-N 3.47Å; S89-A93 VanDerWaalsContact O-N 3.15Å; K90-A93 PolarHBondContact O-N 3.04Å; Q91-A93 VanDerWaalsContact C-N 3.31Å; Q91-A93 PolarHBondContact O-N 3.38Å; A93-H96 WeakPolarHBondContact O-CB 3.21Å; A93-H96 PolarHBondContact O-N 2.96Å; A93-C97 PolarHBondContact O-N 2.86Å; A93-C97 PolarHBondContact O-SG 2.85Å; A93-C97 VanDerWaalsContact O-SG 3.35Å
94	L	96	Very high	96.6	Very high	110 Å²	110	97.3 Å²	97.3	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-64.3	-45.4	175.3	-75.5	171	0	0	0	111.6	K90 Q91 H96 C97 D98	K90-L94 WeakPolarHBondContact O-CG 3.3Å; K90-L94 PolarHBondContact O-N 3.25Å; Q91-L94 PolarHBondContact O-N 3.38Å; Q91-L94 VanDerWaalsContact O-N 3.15Å; L94-H96 PolarHBondContact O-N 3.35Å; L94-C97 CarbonylContact O-C 3.51Å; L94-C97 WeakPolarHBondContact O-CA 3.43Å; L94-C97 WeakPolarHBondContact O-CB 3.31Å; L94-C97 PolarHBondContact O-N 2.79Å; L94-D98 PolarHBondContact O-N 3.04Å
95	E	96.8	Very high	96.7	Very high	102 Å²	102	95.4 Å²	95.4	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-59.6	-35.4	174.9	-71.2	177.8	-177.2	0	0	112.4	Q91 F92 R99	Q91-E95 WeakPolarHBondContact O-CG 3.39Å; Q91-E95 PolarHBondContact O-N 2.83Å; F92-E95 PolarHBondContact O-N 3.25Å; E95-R99 WeakPolarHBondContact O-CG 3.39Å; E95-R99 PolarHBondContact O-N 2.56Å; E95-R99 VanDerWaalsContact O-N 3.1Å; E95-R99 PolarHBondContact O-NH1 2.81Å
96	H	96.5	Very high	96.7	Very high	103 Å²	103	98.9 Å²	98.9	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-66.7	-42.4	173.5	178.6	-79.5	0	0	0	112.1	F92 A93 L94 R99 S100	F92-H96 PolarHBondContact O-N 3.45Å; A93-H96 WeakPolarHBondContact O-CB 3.21Å; A93-H96 PolarHBondContact O-N 2.96Å; L94-H96 PolarHBondContact O-N 3.35Å; H96-R99 PolarHBondContact O-N 2.65Å; H96-S100 PolarHBondContact O-N 3.38Å; H96-S100 PolarHBondContact O-OG 2.89Å
97	C	96.4	Very high	96.8	Very high	65 Å²	65	96.5 Å²	96.5	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-44.2	173.7	-69.6	0	0	0	0	111.7	A93 L94 R99 S100 I101	A93-C97 PolarHBondContact O-N 2.86Å; A93-C97 PolarHBondContact O-SG 2.85Å; A93-C97 VanDerWaalsContact O-SG 3.35Å; L94-C97 CarbonylContact O-C 3.51Å; L94-C97 WeakPolarHBondContact O-CA 3.43Å; L94-C97 WeakPolarHBondContact O-CB 3.31Å; L94-C97 PolarHBondContact O-N 2.79Å; C97-R99 PolarHBondContact O-N 3.19Å; C97-S100 CarbonylContact O-C 3.58Å; C97-S100 WeakPolarHBondContact O-CA 3.42Å; C97-S100 WeakPolarHBondContact O-CB 3.39Å; C97-S100 PolarHBondContact O-N 2.89Å; C97-I101 WeakPolarHBondContact O-CG1 3.26Å; C97-I101 PolarHBondContact O-N 3.15Å
98	D	96.8	Very high	96.9	Very high	94 Å²	94	97.2 Å²	97.2	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-59.2	-45.8	177.5	-74.5	-15.2	0	0	0	111.5	L94 S100 I101 D102	L94-D98 PolarHBondContact O-N 3.04Å; D98-S100 VanDerWaalsContact C-N 3.26Å; D98-S100 PolarHBondContact O-N 2.97Å; D98-I101 WeakPolarHBondContact O-CB 3.21Å; D98-I101 PolarHBondContact O-N 3.44Å; D98-I101 VanDerWaalsContact O-N 3.16Å; D98-D102 PolarHBondContact O-N 2.85Å
99	R	97.4	Very high	96.9	Very high	125 Å²	125	94.5 Å²	94.5	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-59.8	-36	173.3	-72.7	-172	-63.4	-90.5	3.8	112.9	E95 H96 C97 D102 E103	E95-R99 WeakPolarHBondContact O-CG 3.39Å; E95-R99 PolarHBondContact O-N 2.56Å; E95-R99 VanDerWaalsContact O-N 3.1Å; E95-R99 PolarHBondContact O-NH1 2.81Å; H96-R99 PolarHBondContact O-N 2.65Å; C97-R99 PolarHBondContact O-N 3.19Å; R99-D102 PolarHBondContact O-N 3.05Å; R99-E103 PolarHBondContact O-N 2.64Å; R99-E103 VanDerWaalsContact O-N 3.11Å
100	S	97.1	Very high	97	Very high	50 Å²	50	96.3 Å²	96.3	35%	0.35	49%	0.491	S	S	.	.	H	α-helix	trans	-70	-38.7	177.7	-56.2	0	0	0	0	111.3	H96 C97 D98 E103 L104	H96-S100 PolarHBondContact O-N 3.38Å; H96-S100 PolarHBondContact O-OG 2.89Å; C97-S100 CarbonylContact O-C 3.58Å; C97-S100 WeakPolarHBondContact O-CA 3.42Å; C97-S100 WeakPolarHBondContact O-CB 3.39Å; C97-S100 PolarHBondContact O-N 2.89Å; D98-S100 VanDerWaalsContact C-N 3.26Å; D98-S100 PolarHBondContact O-N 2.97Å; S100-E103 PolarHBondContact O-N 3.01Å; S100-L104 WeakPolarHBondContact O-CG 3.3Å; S100-L104 PolarHBondContact O-N 3.48Å
101	I	97.6	Very high	97	Very high	105 Å²	105	93.5 Å²	93.5	54%	0.538	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-43.4	173.8	-69.5	167	0	0	0	110.2	C97 D98 E103 L104 G105	C97-I101 WeakPolarHBondContact O-CG1 3.26Å; C97-I101 PolarHBondContact O-N 3.15Å; D98-I101 WeakPolarHBondContact O-CB 3.21Å; D98-I101 PolarHBondContact O-N 3.44Å; D98-I101 VanDerWaalsContact O-N 3.16Å; I101-E103 PolarHBondContact O-N 3Å; I101-L104 PolarHBondContact O-N 3.12Å; I101-G105 PolarHBondContact O-N 3.3Å
102	D	97.3	Very high	97.1	Very high	121 Å²	121	94.6 Å²	94.6	65%	0.647	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-44.3	176.7	-76.5	-21.4	0	0	0	112.3	D98 R99 G105 R106	D98-D102 PolarHBondContact O-N 2.85Å; R99-D102 PolarHBondContact O-N 3.05Å; D102-G105 PolarHBondContact O-N 2.94Å; D102-R106 PolarHBondContact O-N 3.42Å
103	E	97.3	Very high	97.1	Very high	83 Å²	83	93.7 Å²	93.7	39%	0.388	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177	-176.2	58.1	-161.2	0	0	111.7	R99 S100 I101 G105 R106 L107	R99-E103 PolarHBondContact O-N 2.64Å; R99-E103 VanDerWaalsContact O-N 3.11Å; S100-E103 PolarHBondContact O-N 3.01Å; I101-E103 PolarHBondContact O-N 3Å; E103-G105 VanDerWaalsContact C-N 3.31Å; E103-G105 PolarHBondContact O-N 2.89Å; E103-R106 WeakPolarHBondContact O-CB 3.4Å; E103-R106 PolarHBondContact O-N 3.06Å; E103-R106 IonicContact OE1-CZ 3.01Å; E103-R106 IonicContact OE1-NE 3.81Å; E103-R106 PolarHBondContact OE1-NE 3.15Å; E103-R106 IonicContact OE1-NH2 3.96Å; E103-R106 PolarHBondContact OE1-NH2 3.36Å; E103-R106 IonicContact OE2-CZ 3.18Å; E103-R106 IonicContact OE2-NE 3.79Å; E103-R106 PolarHBondContact OE2-NE 2.9Å; E103-R106 IonicContact OE2-NH2 3.25Å; E103-L107 HydrophobicContact CG-CD1 4.41Å; E103-L107 WeakPolarHBondContact O-CG 3.25Å; E103-L107 PolarHBondContact O-N 3.26Å
104	L	97.8	Very high	97.1	Very high	116 Å²	116	97 Å²	97	61%	0.607	50%	0.497	S	S	*	.	H	α-helix	trans	-61.5	-40.7	172.7	-72.8	174.8	0	0	0	111.6	S100 I101 R106 L107 L108	S100-L104 WeakPolarHBondContact O-CG 3.3Å; S100-L104 PolarHBondContact O-N 3.48Å; I101-L104 PolarHBondContact O-N 3.12Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 3.28Å; L104-L107 PolarHBondContact O-N 3.28Å; L104-L108 VanDerWaalsContact O-CB 3.29Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 PolarHBondContact O-N 3.09Å
105	G	97.8	Very high	97.1	Very high	39 Å²	39	99.2 Å²	99.2	40%	0.402	50%	0.498	S	S	.	.	H	α-helix	trans	-59.5	-42	173.4	0	0	0	0	0	112.2	I101 D102 E103 L108 A109	I101-G105 PolarHBondContact O-N 3.3Å; D102-G105 PolarHBondContact O-N 2.94Å; E103-G105 VanDerWaalsContact C-N 3.31Å; E103-G105 PolarHBondContact O-N 2.89Å; G105-L108 PolarHBondContact O-N 2.84Å; G105-A109 PolarHBondContact O-N 3.1Å
106	R	97.6	Very high	97.1	Very high	145 Å²	145	98.8 Å²	98.8	55%	0.547	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-44.1	176.3	-161.8	-171.6	77	84	3	112.4	D102 E103 L104 A109 K110	D102-R106 PolarHBondContact O-N 3.42Å; E103-R106 WeakPolarHBondContact O-CB 3.4Å; E103-R106 PolarHBondContact O-N 3.06Å; E103-R106 IonicContact OE1-CZ 3.01Å; E103-R106 IonicContact OE1-NE 3.81Å; E103-R106 PolarHBondContact OE1-NE 3.15Å; E103-R106 IonicContact OE1-NH2 3.96Å; E103-R106 PolarHBondContact OE1-NH2 3.36Å; E103-R106 IonicContact OE2-CZ 3.18Å; E103-R106 IonicContact OE2-NE 3.79Å; E103-R106 PolarHBondContact OE2-NE 2.9Å; E103-R106 IonicContact OE2-NH2 3.25Å; L104-R106 VanDerWaalsContact C-N 3.33Å; L104-R106 PolarHBondContact O-N 3.28Å; R106-A109 PolarHBondContact O-N 3.44Å; R106-K110 PolarHBondContact O-N 3.18Å; R106-K110 VanDerWaalsContact O-N 3.07Å
107	L	97.7	Very high	97	Very high	76 Å²	76	99.5 Å²	99.5	40%	0.398	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-42.5	175.6	-70.3	175.3	0	0	0	111.3	E103 L104 A109 K110 V111	E103-L107 HydrophobicContact CG-CD1 4.41Å; E103-L107 WeakPolarHBondContact O-CG 3.25Å; E103-L107 PolarHBondContact O-N 3.26Å; L104-L107 PolarHBondContact O-N 3.28Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 3.32Å; L107-K110 WeakPolarHBondContact O-CB 3.36Å; L107-K110 PolarHBondContact O-N 3.29Å; L107-K110 VanDerWaalsContact O-N 3.16Å; L107-V111 WeakPolarHBondContact O-CG2 3.36Å; L107-V111 PolarHBondContact O-N 2.82Å
108	L	97.7	Very high	96.9	Very high	96 Å²	96	100.7 Å²	100.7	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-42.8	175.4	180	62.7	0	0	0	111.6	L104 G105 K110 V111 K112	L104-L108 VanDerWaalsContact O-CB 3.29Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 PolarHBondContact O-N 3.09Å; G105-L108 PolarHBondContact O-N 2.84Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.49Å; L108-V111 PolarHBondContact O-N 3.44Å; L108-K112 HydrophobicContact CG-CD 4.48Å; L108-K112 WeakPolarHBondContact O-CG 2.9Å; L108-K112 PolarHBondContact O-N 3.49Å
109	A	97	Very high	96.7	Very high	50 Å²	50	99.2 Å²	99.2	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-39.8	175.3	0	0	0	0	0	112.1	G105 R106 L107 K112 L113	G105-A109 PolarHBondContact O-N 3.1Å; R106-A109 PolarHBondContact O-N 3.44Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 3.32Å; A109-K112 PolarHBondContact O-N 3.05Å; A109-L113 WeakPolarHBondContact O-CG 3.18Å; A109-L113 PolarHBondContact O-N 3.15Å
110	K	97.7	Very high	96.4	Very high	118 Å²	118	97.2 Å²	97.2	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-44.3	175.3	-172.3	-179	178.5	-175.3	0	112	R106 L107 L108 L113 Q114	R106-K110 PolarHBondContact O-N 3.18Å; R106-K110 VanDerWaalsContact O-N 3.07Å; L107-K110 WeakPolarHBondContact O-CB 3.36Å; L107-K110 PolarHBondContact O-N 3.29Å; L107-K110 VanDerWaalsContact O-N 3.16Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.49Å; K110-L113 PolarHBondContact O-N 2.95Å; K110-Q114 WeakPolarHBondContact O-CG 3.43Å; K110-Q114 PolarHBondContact O-N 2.78Å
111	V	97.1	Very high	96.2	Very high	86 Å²	86	99.8 Å²	99.8	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-42.4	177.1	173.2	0	0	0	0	111.1	L107 L108 L113 Q114 R115	L107-V111 WeakPolarHBondContact O-CG2 3.36Å; L107-V111 PolarHBondContact O-N 2.82Å; L108-V111 PolarHBondContact O-N 3.44Å; V111-L113 VanDerWaalsContact C-N 3.35Å; V111-L113 PolarHBondContact O-N 3.02Å; V111-Q114 PolarHBondContact O-N 2.97Å; V111-R115 PolarHBondContact O-N 2.84Å
112	K	97.2	Very high	95.8	Very high	127 Å²	127	98.4 Å²	98.4	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-59.3	-43.6	174.9	-74.5	177.7	177	-179.7	0	112.1	L108 A109 R115 I116	L108-K112 HydrophobicContact CG-CD 4.48Å; L108-K112 WeakPolarHBondContact O-CG 2.9Å; L108-K112 PolarHBondContact O-N 3.49Å; A109-K112 PolarHBondContact O-N 3.05Å; K112-R115 PolarHBondContact O-N 3.46Å; K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 2.95Å; K112-I116 VanDerWaalsContact O-N 3.12Å
113	L	96.7	Very high	95.3	Very high	112 Å²	112	96.7 Å²	96.7	59%	0.586	49%	0.487	S	S	*	.	H	α-helix	trans	-65.1	-43.6	176.1	-76.1	171.3	0	0	0	112.4	A109 K110 V111 R115 I116 L117	A109-L113 WeakPolarHBondContact O-CG 3.18Å; A109-L113 PolarHBondContact O-N 3.15Å; K110-L113 PolarHBondContact O-N 2.95Å; V111-L113 VanDerWaalsContact C-N 3.35Å; V111-L113 PolarHBondContact O-N 3.02Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 2.97Å; L113-I116 PolarHBondContact O-N 3.45Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.98Å
114	Q	95.6	Very high	94.7	Very high	113 Å²	113	96.4 Å²	96.4	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-38.8	175.2	-77.6	-179.7	-33.6	0	0	111.9	K110 V111 L117 L118	K110-Q114 WeakPolarHBondContact O-CG 3.43Å; K110-Q114 PolarHBondContact O-N 2.78Å; V111-Q114 PolarHBondContact O-N 2.97Å; Q114-L117 PolarHBondContact O-N 3.43Å; Q114-L118 WeakPolarHBondContact O-CB 3.43Å; Q114-L118 PolarHBondContact O-N 3.27Å
115	R	96.6	Very high	93.9	Very high	158 Å²	158	96.6 Å²	96.6	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-62.2	-47.1	175.6	-179.1	55.5	-177.9	-113.2	2.1	112.1	V111 K112 L113 L117 L118 D119	V111-R115 PolarHBondContact O-N 2.84Å; K112-R115 PolarHBondContact O-N 3.46Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 2.97Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 2.85Å; R115-L118 PolarHBondContact O-N 2.78Å; R115-D119 IonicContact CZ-OD1 3.76Å; R115-D119 IonicContact NE-OD1 2.71Å; R115-D119 PolarHBondContact NE-OD1 3.29Å; R115-D119 VanDerWaalsContact NE-OD1 3.07Å; R115-D119 IonicContact NE-OD2 2.91Å; R115-D119 PolarHBondContact NE-OD2 2.99Å; R115-D119 IonicContact NH2-OD1 3.15Å; R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 3.29Å
116	I	95.1	Very high	92.9	Very high	93 Å²	93	100.8 Å²	100.8	48%	0.477	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-42.6	178.2	-66.7	165.1	0	0	0	111.3	K112 L113 D119 N120	K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 2.95Å; K112-I116 VanDerWaalsContact O-N 3.12Å; L113-I116 PolarHBondContact O-N 3.45Å; I116-D119 PolarHBondContact O-N 2.67Å; I116-N120 WeakPolarHBondContact O-CB 3.37Å; I116-N120 VanDerWaalsContact O-CG 3.3Å; I116-N120 PolarHBondContact O-N 2.79Å; I116-N120 PolarHBondContact O-ND2 3.01Å
117	L	95	Very high	91.8	Very high	117 Å²	117	101.3 Å²	101.3	61%	0.613	51%	0.506	S	S	*	.	H	α-helix	trans	-62.5	-42.9	177.6	-70.4	174.2	0	0	0	111.8	L113 Q114 R115 N120 E121	L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.98Å; Q114-L117 PolarHBondContact O-N 3.43Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 2.85Å; L117-N120 PolarHBondContact O-N 2.93Å; L117-E121 PolarHBondContact O-N 3.25Å
118	L	94.7	Very high	89.9	Confident	91 Å²	91	105.3 Å²	105.3	48%	0.476	52%	0.523	S	S	.	.	H	α-helix	trans	-64.9	-44.1	177.2	-174.2	67.5	0	0	0	111.9	Q114 R115 N120 E121 I122	Q114-L118 WeakPolarHBondContact O-CB 3.43Å; Q114-L118 PolarHBondContact O-N 3.27Å; R115-L118 PolarHBondContact O-N 2.78Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.49Å; L118-E121 PolarHBondContact O-N 3.43Å; L118-I122 HydrophobicContact CG-CD1 4.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.11Å
119	D	93.6	Very high	88	Confident	62 Å²	62	103.9 Å²	103.9	33%	0.332	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-39.1	177.7	-67.6	-26.4	0	0	0	110.8	R115 I116 L123	R115-D119 IonicContact CZ-OD1 3.76Å; R115-D119 IonicContact NE-OD1 2.71Å; R115-D119 PolarHBondContact NE-OD1 3.29Å; R115-D119 VanDerWaalsContact NE-OD1 3.07Å; R115-D119 IonicContact NE-OD2 2.91Å; R115-D119 PolarHBondContact NE-OD2 2.99Å; R115-D119 IonicContact NH2-OD1 3.15Å; R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 3.29Å; I116-D119 PolarHBondContact O-N 2.67Å; D119-L123 WeakPolarHBondContact O-CG 3.46Å; D119-L123 PolarHBondContact O-N 3.39Å; D119-L123 VanDerWaalsContact O-N 3.11Å
120	N	90.8	Very high	85.6	Confident	84 Å²	84	107 Å²	107	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-66.6	-39.7	174	-73.3	-29.3	0	0	0	112.7	I116 L117 L118 L123 T124	I116-N120 WeakPolarHBondContact O-CB 3.37Å; I116-N120 VanDerWaalsContact O-CG 3.3Å; I116-N120 PolarHBondContact O-N 2.79Å; I116-N120 PolarHBondContact O-ND2 3.01Å; L117-N120 PolarHBondContact O-N 2.93Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.49Å; N120-L123 PolarHBondContact O-N 3.16Å; N120-T124 WeakPolarHBondContact O-CG2 3.06Å; N120-T124 PolarHBondContact O-N 3.3Å
121	E	91.6	Very high	83.2	Confident	104 Å²	104	110.7 Å²	110.7	49%	0.486	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-44.8	176.8	-170.2	174.2	-178	0	0	111.1	L117 L118 L123 T124 Q125	L117-E121 PolarHBondContact O-N 3.25Å; L118-E121 PolarHBondContact O-N 3.43Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.25Å; E121-T124 WeakPolarHBondContact CA-OG1 3.38Å; E121-T124 PolarHBondContact O-N 3.07Å; E121-T124 VanDerWaalsContact O-N 3.13Å; E121-T124 PolarHBondContact O-OG1 3.35Å; E121-Q125 WeakPolarHBondContact O-CG 3.41Å; E121-Q125 PolarHBondContact O-N 2.95Å
122	I	90.1	Very high	80.8	Confident	76 Å²	76	115.5 Å²	115.5	39%	0.39	58%	0.576	S	S	.	*	H	α-helix	trans	-57.7	-44.7	174.7	-66.7	166.4	0	0	0	110.8	L118 T124 Q125 Q126	L118-I122 HydrophobicContact CG-CD1 4.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3.11Å; I122-T124 VanDerWaalsContact C-N 3.35Å; I122-T124 PolarHBondContact O-N 2.86Å; I122-Q125 PolarHBondContact O-N 2.9Å; I122-Q126 WeakPolarHBondContact O-CG 3.46Å; I122-Q126 PolarHBondContact O-N 2.91Å; I122-Q126 VanDerWaalsContact O-N 3.08Å
123	L	85.8	Confident	78.2	Confident	84 Å²	84	118.7 Å²	118.7	44%	0.44	59%	0.59	S	S	.	*	H	α-helix	trans	-63	-38.5	177	-72.1	167.7	0	0	0	112.4	D119 N120 E121 Q126 H127	D119-L123 WeakPolarHBondContact O-CG 3.46Å; D119-L123 PolarHBondContact O-N 3.39Å; D119-L123 VanDerWaalsContact O-N 3.11Å; N120-L123 PolarHBondContact O-N 3.16Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.25Å; L123-Q126 PolarHBondContact O-N 2.86Å; L123-H127 PolarHBondContact O-N 3.02Å; L123-H127 PolarHBondContact O-ND1 2.88Å
124	T	84.4	Confident	75.5	Confident	77 Å²	77	122 Å²	122	47%	0.472	61%	0.607	S	S	.	*	H	α-helix	trans	-67.9	-38.4	176.6	58.8	0	0	0	0	112.9	N120 E121 I122 Q126 H127 Q128	N120-T124 WeakPolarHBondContact O-CG2 3.06Å; N120-T124 PolarHBondContact O-N 3.3Å; E121-T124 WeakPolarHBondContact CA-OG1 3.38Å; E121-T124 PolarHBondContact O-N 3.07Å; E121-T124 VanDerWaalsContact O-N 3.13Å; E121-T124 PolarHBondContact O-OG1 3.35Å; I122-T124 VanDerWaalsContact C-N 3.35Å; I122-T124 PolarHBondContact O-N 2.86Å; T124-Q126 VanDerWaalsContact C-N 3.34Å; T124-H127 PolarHBondContact O-N 3Å; T124-Q128 PolarHBondContact O-N 2.96Å; T124-Q128 VanDerWaalsContact O-N 3.11Å
125	Q	81.9	Confident	72.7	Confident	120 Å²	120	120.3 Å²	120.3	56%	0.561	61%	0.613	S	S	*	*	H	α-helix	trans	-65.2	-37.7	176	-69.4	179.1	15.4	0	0	111.7	E121 I122 H127 Q128 A129	E121-Q125 WeakPolarHBondContact O-CG 3.41Å; E121-Q125 PolarHBondContact O-N 2.95Å; I122-Q125 PolarHBondContact O-N 2.9Å; Q125-H127 VanDerWaalsContact C-N 3.34Å; Q125-H127 PolarHBondContact O-N 2.72Å; Q125-Q128 PolarHBondContact O-N 2.97Å; Q125-A129 PolarHBondContact O-N 2.71Å
126	Q	77.5	Confident	70	Confident	127 Å²	127	120 Å²	120	59%	0.593	62%	0.623	S	S	*	*	H	α-helix	trans	-63.7	-37.4	174.9	-73.3	-179.6	-3.1	0	0	112.7	I122 L123 T124	I122-Q126 WeakPolarHBondContact O-CG 3.46Å; I122-Q126 PolarHBondContact O-N 2.91Å; I122-Q126 VanDerWaalsContact O-N 3.08Å; L123-Q126 PolarHBondContact O-N 2.86Å; T124-Q126 VanDerWaalsContact C-N 3.34Å
127	H	73.2	Confident	67.3	Low	157 Å²	157	124.8 Å²	124.8	73%	0.727	64%	0.641	S	S	*	*	H	α-helix	trans	-78.4	-22.2	179	-68.9	149.8	0	0	0	114.3	L123 T124 Q125	L123-H127 PolarHBondContact O-N 3.02Å; L123-H127 PolarHBondContact O-ND1 2.88Å; T124-H127 PolarHBondContact O-N 3Å; Q125-H127 VanDerWaalsContact C-N 3.34Å; Q125-H127 PolarHBondContact O-N 2.72Å
128	Q	58.8	Low	64.3	Low	160 Å²	160	125.8 Å²	125.8	75%	0.748	66%	0.656	S	S	*	*	H	α-helix	trans	-86.6	-4.3	177.4	-75.7	-174.6	-8.6	0	0	114.4	T124 Q125 P130	T124-Q128 PolarHBondContact O-N 2.96Å; T124-Q128 VanDerWaalsContact O-N 3.11Å; Q125-Q128 PolarHBondContact O-N 2.97Å; Q128-P130 WeakPolarHBondContact O-CD 3.22Å
129	A	56.8	Low	61.6	Low	65 Å²	65	125.3 Å²	125.3	54%	0.537	67%	0.665	S	S	.	*	S	Bend	trans	-63.9	113.7	173.1	0	0	0	0	0	110.1	Q125 Q131	Q125-A129 PolarHBondContact O-N 2.71Å; A129-Q131 PolarHBondContact O-N 2.97Å
130	P	48.1	Very low	58.9	Low	117 Å²	117	129.1 Å²	129.1	76%	0.76	69%	0.691	S	S	*	*			trans	-64	128.4	-178.7	-16.9	30.3	0	0	0	109.5	Q128 E132	Q128-P130 WeakPolarHBondContact O-CD 3.22Å; P130-E132 PolarHBondContact O-N 3.25Å
131	Q	46.7	Very low	56.4	Low	194 Å²	194	131.1 Å²	131.1	91%	0.907	71%	0.705	S	S	*	*			trans	-67.2	74.6	172.9	-69.3	-157	-24.1	0	0	111	A129 K133	A129-Q131 PolarHBondContact O-N 2.97Å; Q131-K133 VanDerWaalsContact C-N 3.33Å; Q131-K133 PolarHBondContact O-N 3.47Å; Q131-K133 VanDerWaalsContact O-N 3.13Å
132	E	45.5	Very low	53.6	Low	187 Å²	187	134.6 Å²	134.6	87%	0.874	72%	0.722	S	S	*	*			trans	-82.3	87	163.6	-91	-171.1	152	0	0	109.9	P130	P130-E132 PolarHBondContact O-N 3.25Å
133	K	44.3	Very low	50.8	Low	195 Å²	195	142.4 Å²	142.4	85%	0.848	75%	0.746	S	S	*	*			trans	26	108.5	144.8	-71.7	178.9	177.3	175.3	0	117.5	Q131 A135	Q131-K133 VanDerWaalsContact C-N 3.33Å; Q131-K133 PolarHBondContact O-N 3.47Å; Q131-K133 VanDerWaalsContact O-N 3.13Å; K133-A135 PolarHBondContact O-N 3.28Å; K133-A135 VanDerWaalsContact O-N 3.14Å
134	L	38.5	Very low	48.4	Very low	180 Å²	180	143.9 Å²	143.9	94%	0.942	76%	0.761	S	S	*	*			trans	-30.8	108.3	145.9	-83.1	79.5	0	0	0	112.9
135	A	37.1	Very low	45.9	Very low	79 Å²	79	151.9 Å²	151.9	65%	0.653	78%	0.782	S	S	*	*			trans	-173.1	101.4	142	0	0	0	0	0	108.4	K133	K133-A135 PolarHBondContact O-N 3.28Å; K133-A135 VanDerWaalsContact O-N 3.14Å
136	N	40.1	Very low	43.7	Very low	150 Å²	150	150.2 Å²	150.2	80%	0.802	79%	0.789	S	S	*	*				170.6	117.2	121.5	-85.5	-34	0	0	0	112.4
137	K	38.4	Very low	41.9	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	80%	0.796	S	S	*	*			trans	50.9	111.7	144.1	-72.2	178.2	176	176.7	0	118.9	A139	K137-A139 PolarHBondContact O-N 3Å
138	C	31.5	Very low	40.1	Very low	138 Å²	138	146.9 Å²	146.9	93%	0.932	80%	0.798	S	S	*	*			trans	-37.7	104.1	152.1	-64.1	0	0	0	0	112.1
139	A	38.5	Very low	38.9	Very low	82 Å²	82	147.1 Å²	147.1	68%	0.678	80%	0.799	S	S	*	*			trans	-103.6	122.5	151.1	0	0	0	0	0	106.6	K137 V141	K137-A139 PolarHBondContact O-N 3Å; A139-V141 PolarHBondContact O-N 3.38Å
140	V	38.2	Very low	37.8	Very low	142 Å²	142	149.1 Å²	149.1	86%	0.861	81%	0.806	S	S	*	*			trans	-59.6	107.4	171.2	174.6	0	0	0	0	107.1
141	V	38.4	Very low	37	Very low	125 Å²	125	153.2 Å²	153.2	76%	0.758	81%	0.812	S	S	*	*			trans	-92.2	107.4	171.4	177.9	0	0	0	0	106.9	A139 R143	A139-V141 PolarHBondContact O-N 3.38Å; V141-R143 PolarHBondContact O-N 2.88Å
142	E	31.5	Very low	36.1	Very low	178 Å²	178	153 Å²	153	83%	0.832	81%	0.808	S	S	*	*			trans	-53.4	125.8	163.9	-81.1	-177.7	145.4	0	0	109.2	P144	E142-P144 VanDerWaalsContact O-CD 3.31Å; E142-P144 WeakPolarHBondContact O-CD 3.41Å
143	R	31.7	Very low	35.3	Very low	240 Å²	240	149 Å²	149	91%	0.906	81%	0.807	S	S	*	*			trans	-71	115.2	-179.3	-168.5	175.9	-172.8	170.1	1.6	108.6	V141 R145	V141-R143 PolarHBondContact O-N 2.88Å; R143-R145 PolarHBondContact O-N 2.79Å
144	P	35.1	Very low	34.5	Very low	115 Å²	115	147.5 Å²	147.5	75%	0.747	80%	0.803	S	S	*	*			trans	-67.3	125.8	-179.9	24.9	-30.1	0	0	0	109.5	E142 A146	E142-P144 VanDerWaalsContact O-CD 3.31Å; E142-P144 WeakPolarHBondContact O-CD 3.41Å; P144-A146 PolarHBondContact O-N 3.18Å
145	R	33.1	Very low	34.1	Very low	244 Å²	244	144.6 Å²	144.6	92%	0.921	80%	0.795	S	S	*	*			trans	-62.7	112.5	172.3	-166	176.4	-163.4	159.6	3	107.4	R143 A147	R143-R145 PolarHBondContact O-N 2.79Å; R145-A147 PolarHBondContact O-N 2.79Å; R145-A147 VanDerWaalsContact O-N 3.09Å
146	A	35.6	Very low	33.8	Very low	86 Å²	86	150.3 Å²	150.3	71%	0.711	81%	0.809	S	S	*	*			trans	-57	114.5	179.7	0	0	0	0	0	109.8	P144 V148	P144-A146 PolarHBondContact O-N 3.18Å; A146-V148 PolarHBondContact O-N 2.91Å
147	A	38.1	Very low	33.3	Very low	89 Å²	89	148 Å²	148	74%	0.736	80%	0.804	S	S	*	*			trans	-66.2	112	162.9	0	0	0	0	0	107	R145 E149	R145-A147 PolarHBondContact O-N 2.79Å; R145-A147 VanDerWaalsContact O-N 3.09Å; A147-E149 PolarHBondContact O-N 3.28Å; A147-E149 VanDerWaalsContact O-N 3.17Å
148	V	35.4	Very low	32.5	Very low	125 Å²	125	146.9 Å²	146.9	76%	0.758	81%	0.806	S	S	*	*			trans	-75.4	96.5	169.5	177.6	0	0	0	0	106.1	A146 P150	A146-V148 PolarHBondContact O-N 2.91Å; V148-P150 WeakPolarHBondContact O-CD 3.45Å
149	E	34	Very low	32.4	Very low	164 Å²	164	148 Å²	148	77%	0.766	80%	0.801	S	S	*	*			trans	-69.3	122.7	166.8	-77.1	-92.6	149.5	0	0	108.3	A147 F151	A147-E149 PolarHBondContact O-N 3.28Å; A147-E149 VanDerWaalsContact O-N 3.17Å; E149-F151 PolarHBondContact O-N 3.23Å
150	P	35	Very low	31.8	Very low	107 Å²	107	152.1 Å²	152.1	70%	0.695	81%	0.807	S	S	*	*			trans	-67.6	130.9	-179.9	-18	31	0	0	0	111.9	V148 K152	V148-P150 WeakPolarHBondContact O-CD 3.45Å; P150-K152 PolarHBondContact O-N 3.39Å; P150-K152 VanDerWaalsContact O-N 3.13Å
151	F	31.3	Very low	31.4	Very low	204 Å²	204	155.3 Å²	155.3	90%	0.895	81%	0.809	S	S	*	*			trans	-53	112.4	177.8	-64.3	-93.9	0	0	0	111.7	E149 A153	E149-F151 PolarHBondContact O-N 3.23Å; F151-A153 PolarHBondContact O-N 2.88Å
152	K	27.7	Very low	30.8	Very low	189 Å²	189	157.9 Å²	157.9	82%	0.822	81%	0.813	S	S	*	*			trans	-81.7	106.7	164.4	-72.5	-173	176.3	-178	0	108.5	P150 E154	P150-K152 PolarHBondContact O-N 3.39Å; P150-K152 VanDerWaalsContact O-N 3.13Å; K152-E154 PolarHBondContact O-N 3.22Å
153	A	28.3	Very low	30.4	Very low	103 Å²	103	157.2 Å²	157.2	85%	0.851	81%	0.809	S	S	*	*			trans	-73.4	101.4	165.1	0	0	0	0	0	108	F151	F151-A153 PolarHBondContact O-N 2.88Å
154	E	26.8	Very low	30.1	Very low	164 Å²	164	152 Å²	152	77%	0.766	81%	0.807	S	S	*	*			trans	-91.9	133.6	165	-72.7	-97	156.6	0	0	107.9	K152 E156	K152-E154 PolarHBondContact O-N 3.22Å; E154-E156 PolarHBondContact O-N 3.08Å
155	P	31	Very low	29.6	Very low	119 Å²	119	149 Å²	149	77%	0.773	79%	0.792	S	S	*	*			trans	-80.8	117.4	-170.2	31.1	-31.5	0	0	0	110.7	S157	P155-S157 PolarHBondContact O-N 3.29Å; P155-S157 VanDerWaalsContact O-N 3.17Å
156	E	31.1	Very low	29.4	Very low	199 Å²	199	146 Å²	146	93%	0.93	79%	0.793	S	S	*	*			trans	-72.6	110.1	171.8	-81.5	-178	162.2	0	0	110.4	E154	E154-E156 PolarHBondContact O-N 3.08Å
157	S	27.8	Very low	28.8	Very low	100 Å²	100	147 Å²	147	70%	0.699	79%	0.79	S	S	*	*			trans	-60.7	136	169.1	51.3	0	0	0	0	112.4	P155 I159	P155-S157 PolarHBondContact O-N 3.29Å; P155-S157 VanDerWaalsContact O-N 3.17Å; S157-I159 PolarHBondContact O-N 3.26Å
158	L	23.2	Very low	28.1	Very low	171 Å²	171	149.4 Å²	149.4	90%	0.895	79%	0.791	S	S	*	*			trans	-30.5	118	158	-61.2	162.3	0	0	0	113.1
159	I	29.2	Very low	27.7	Very low	161 Å²	161	154.3 Å²	154.3	83%	0.826	80%	0.797	S	S	*	*			trans	-124.8	112.3	152.1	-64.2	178.9	0	0	0	107.2	S157	S157-I159 PolarHBondContact O-N 3.26Å
160	E	24.5	Very low	27.4	Very low	170 Å²	170	152.2 Å²	152.2	79%	0.794	80%	0.795	S	S	*	*			trans	-53.3	132.8	173.6	-63.6	159.6	165.3	0	0	110.8
161	K	31.5	Very low	26.6	Very low	209 Å²	209	156.6 Å²	156.6	91%	0.909	80%	0.803	S	S	*	*			trans	-115.1	109.5	151.6	-83.3	-174.4	177	176.6	0	107.4
162	E	25.4	Very low	26.4	Very low	179 Å²	179	152 Å²	152	84%	0.836	80%	0.796	S	S	*	*			trans	-55.7	130.4	178.7	-65.3	168.5	140.6	0	0	112.6
163	E	23.4	Very low	26.1	Very low	163 Å²	163	151.9 Å²	151.9	76%	0.762	80%	0.799	S	S	*	*				44.8	141.4	127.7	-92.3	-166.8	-175.1	0	0	122	A165	E163-A165 HydrophobicContact CG-CB 4.5Å
164	P	25	Very low	25.7	Very low	132 Å²	132	150.2 Å²	150.2	86%	0.857	79%	0.791	S	S	*	*				-127.3	132.2	82.1	33	-21.3	0	0	0	114.3
165	A	23.6	Very low	25.5	Very low	51 Å²	51	152 Å²	152	42%	0.421	80%	0.797	S	S	.	*			trans	-61.1	138.1	167.3	0	0	0	0	0	112.9	E163 T167	E163-A165 HydrophobicContact CG-CB 4.5Å; A165-T167 HydrophobicContact CB-CG2 4.38Å
166	L	30	Very low	24.9	Very low	181 Å²	181	155.2 Å²	155.2	95%	0.948	80%	0.802	S	S	*	*			trans	-126.6	95.4	151.3	-160.5	77.9	0	0	0	106.8
167	T	23.2	Very low	24.5	Very low	106 Å²	106	153.7 Å²	153.7	65%	0.65	79%	0.794	S	S	*	*			trans	-86.3	158.7	-179.1	44.7	0	0	0	0	112.4	A165	A165-T167 HydrophobicContact CB-CG2 4.38Å
168	D	23.5	Very low	24	Very low	140 Å²	140	157.5 Å²	157.5	75%	0.749	80%	0.799	S	S	*	*			trans	81.8	99.8	156.6	-58.5	-25.7	0	0	0	118.5
169	Y	25.7	Very low	23.9	Very low	229 Å²	229	154.8 Å²	154.8	90%	0.898	79%	0.792	S	S	*	*				-151.4	101.2	118.9	-110.7	-83.1	0	0	0	111.4
170	V	27.3	Very low	23.5	Very low	119 Å²	119	153.9 Å²	153.9	72%	0.721	79%	0.789	S	S	*	*			trans	55.1	111.7	141.2	-171.5	0	0	0	0	120.8
171	K	18.3	Very low	23.2	Very low	200 Å²	200	150.3 Å²	150.3	87%	0.87	78%	0.783	S	S	*	*			trans	-70.7	140.6	149.7	-83	175.8	171.7	176.5	0	111.9
172	S	28.3	Very low	22.7	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	78%	0.778	S	S	*	*			trans	-158	96.2	142.6	54.7	0	0	0	0	106.7
173	E	21.3	Very low	22.3	Very low	188 Å²	188	146.3 Å²	146.3	88%	0.879	78%	0.778	S	S	*	*				54	105.2	97.4	-69.4	-154.8	164.9	0	0	115.3
174	G	19.4	Very low	22.2	Very low	67 Å²	67	144 Å²	144	69%	0.691	78%	0.775	S	S	*	*				78.3	99.8	119.9	0	0	0	0	0	118.7
175	F	21.8	Very low	21.9	Very low	201 Å²	201	145 Å²	145	88%	0.882	77%	0.773	S	S	*	*			trans	-139.2	97.5	140.7	-103.4	-89.8	0	0	0	109
176	Q	19.4	Very low	21.9	Very low	188 Å²	188	153.3 Å²	153.3	88%	0.879	79%	0.794	S	S	*	*			trans	-81.3	103.4	159.4	-79.3	-178.6	-37.6	0	0	107.3
177	E	22.6	Very low	21.5	Very low	166 Å²	166	151.9 Å²	151.9	78%	0.776	79%	0.787	S	S	*	*			trans	-91.6	98.2	165.3	-103.9	178.9	164.8	0	0	109.2	C179	E177-C179 PolarHBondContact O-N 2.77Å
178	K	18.1	Very low	21.3	Very low	181 Å²	181	151.6 Å²	151.6	79%	0.787	80%	0.795	S	S	*	*			trans	-73.2	108.1	158.3	-80.5	177.3	173.6	176.4	0	108.1
179	C	21.1	Very low	21.2	Very low	113 Å²	113	148.9 Å²	148.9	76%	0.764	79%	0.792	S	S	*	*			trans	-105	95	161	-73.8	0	0	0	0	108.5	E177	E177-C179 PolarHBondContact O-N 2.77Å
180	N	19.3	Very low	21.2	Very low	142 Å²	142	145.5 Å²	145.5	76%	0.759	79%	0.79	S	S	*	*			trans	-64.6	132.9	159.9	-77.4	-30.6	0	0	0	109
181	S	18.8	Very low	20.9	Very low	96 Å²	96	148.1 Å²	148.1	67%	0.671	80%	0.8	S	S	*	*			trans	5.7	148.2	150.4	43.9	0	0	0	0	119.7
182	P	20.4	Very low	21.2	Very low	122 Å²	122	142.6 Å²	142.6	79%	0.792	79%	0.791	S	S	*	*				-136.2	138.3	96.4	34.4	-21.2	0	0	0	114.4
183	E	18.4	Very low	20.9	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	80%	0.799	S	S	*	*			trans	-56.3	132.4	162.9	-61.9	164.6	144.3	0	0	110.8
184	V	21	Very low	21	Very low	115 Å²	115	146 Å²	146	70%	0.697	80%	0.796	S	S	*	*			trans	-128	94.6	157.9	-178.1	0	0	0	0	107.7	R186	V184-R186 HydrophobicContact CG1-CG 4.35Å; V184-R186 PolarHBondContact O-N 2.61Å
185	N	19	Very low	21.1	Very low	152 Å²	152	148 Å²	148	81%	0.813	80%	0.798	S	S	*	*			trans	-58.4	122.5	158.3	-106.9	-41.9	0	0	0	109
186	R	23.1	Very low	21.3	Very low	225 Å²	225	145.8 Å²	145.8	85%	0.849	80%	0.795	S	S	*	*			trans	-134.9	107.8	156.4	-84.6	-171.1	177.4	149.2	1.1	109.8	V184	V184-R186 HydrophobicContact CG1-CG 4.35Å; V184-R186 PolarHBondContact O-N 2.61Å
187	D	20.8	Very low	21.5	Very low	151 Å²	151	144.1 Å²	144.1	81%	0.807	79%	0.792	S	S	*	*			trans	-10.7	131	160.9	-58.4	-55.8	0	0	0	119.1
188	A	19.9	Very low	21.6	Very low	100 Å²	100	143.5 Å²	143.5	83%	0.826	79%	0.793	S	S	*	*			trans	-4	120.8	134.5	0	0	0	0	0	117.7
189	A	22.1	Very low	21.9	Very low	83 Å²	83	139.3 Å²	139.3	69%	0.686	79%	0.791	S	S	*	*				164.1	114.2	122.6	0	0	0	0	0	108.6
190	D	24.1	Very low	22.2	Very low	159 Å²	159	140.3 Å²	140.3	85%	0.85	79%	0.788	S	S	*	*				178.6	117.2	110.2	-92.4	-25.4	0	0	0	111.2	A192	D190-A192 PolarHBondContact O-N 3.22Å; D190-A192 VanDerWaalsContact O-N 3.12Å
191	N	21.8	Very low	22.4	Very low	174 Å²	174	140.3 Å²	140.3	93%	0.93	79%	0.787	S	S	*	*			trans	-64.8	99.3	159.8	-85	-43.7	0	0	0	108.7
192	A	25.2	Very low	23.1	Very low	83 Å²	83	140.3 Å²	140.3	69%	0.686	78%	0.78	S	S	*	*			trans	-108.1	90.2	164.1	0	0	0	0	0	109.4	D190 L194	D190-A192 PolarHBondContact O-N 3.22Å; D190-A192 VanDerWaalsContact O-N 3.12Å; A192-L194 PolarHBondContact O-N 3.28Å; A192-L194 VanDerWaalsContact O-N 3.17Å
193	K	21.5	Very low	23.5	Very low	208 Å²	208	138.5 Å²	138.5	90%	0.904	77%	0.767	S	S	*	*			trans	-56.7	107.1	165.9	-176.7	172.8	-175.7	174.6	0	109.2
194	L	23.6	Very low	24.1	Very low	157 Å²	157	137.6 Å²	137.6	82%	0.822	76%	0.757	S	S	*	*			trans	-100.8	136.6	166.5	-91.5	154.9	0	0	0	109.9	A192	A192-L194 PolarHBondContact O-N 3.28Å; A192-L194 VanDerWaalsContact O-N 3.17Å
195	P	21.4	Very low	24.2	Very low	111 Å²	111	140.9 Å²	140.9	72%	0.721	76%	0.762	S	S	*	*			trans	-74.8	140.6	-166.7	-16.1	32.1	0	0	0	114	D197	P195-D197 PolarHBondContact O-N 3.28Å
196	N	25.1	Very low	24.5	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	76%	0.76	S	S	*	*			trans	-52.5	114.9	156.2	-74.3	-18.4	0	0	0	109.3
197	D	23.9	Very low	24.4	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	76%	0.757	S	S	*	*			trans	-178.8	89.9	144.5	-88.1	-24.2	0	0	0	108	P195	P195-D197 PolarHBondContact O-N 3.28Å
198	I	25.7	Very low	24.8	Very low	154 Å²	154	133.5 Å²	133.5	79%	0.79	75%	0.748	S	S	*	*			trans	-162.1	97.1	137.3	-82.9	138.3	0	0	0	103.9	L200	I198-L200 HydrophobicContact CG2-CD1 4.17Å; I198-L200 PolarHBondContact O-N 2.84Å
199	A	23.4	Very low	24.8	Very low	92 Å²	92	134.3 Å²	134.3	76%	0.76	75%	0.747	S	S	*	*			trans	-68	94.9	169.5	0	0	0	0	0	108.3	I201	A199-I201 PolarHBondContact O-N 2.92Å
200	L	28	Very low	25.3	Very low	134 Å²	134	137.2 Å²	137.2	70%	0.702	75%	0.749	S	S	*	*			trans	-77.7	108.7	162.1	-135.3	85.4	0	0	0	107.1	I198 N202	I198-L200 HydrophobicContact CG2-CD1 4.17Å; I198-L200 PolarHBondContact O-N 2.84Å; L200-N202 PolarHBondContact O-N 3.14Å
201	I	24.3	Very low	25.3	Very low	143 Å²	143	136.6 Å²	136.6	73%	0.733	75%	0.746	S	S	*	*			trans	-77.5	106.4	-178.7	-63.5	171.2	0	0	0	107.8	A199	A199-I201 PolarHBondContact O-N 2.92Å
202	N	31.7	Very low	25.3	Very low	96 Å²	96	138.6 Å²	138.6	51%	0.513	75%	0.747	S	S	.	*			trans	-77.1	127.8	173.8	-169.9	-4.5	0	0	0	109.8	L200 Y204	L200-N202 PolarHBondContact O-N 3.14Å; N202-Y204 PolarHBondContact O-N 3.14Å; N202-Y204 VanDerWaalsContact O-N 3.11Å
203	P	29	Very low	25.3	Very low	83 Å²	83	145 Å²	145	54%	0.539	75%	0.753	S	S	.	*	S	Bend	trans	-70.1	-2.1	-169.7	22.8	-32.9	0	0	0	117	K205	P203-K205 PolarHBondContact O-N 3.07Å
204	Y	31	Very low	25.5	Very low	163 Å²	163	145.2 Å²	145.2	64%	0.639	76%	0.755	S	S	*	*			trans	-102	66.7	175.1	-64.2	-79.7	0	0	0	112.3	N202	N202-Y204 PolarHBondContact O-N 3.14Å; N202-Y204 VanDerWaalsContact O-N 3.11Å
205	K	23.7	Very low	25.4	Very low	184 Å²	184	146.9 Å²	146.9	80%	0.8	76%	0.758	S	S	*	*			trans	-110.9	82	165.6	-128.4	-179.3	-171.3	177.1	0	109.6	P203 N207	P203-K205 PolarHBondContact O-N 3.07Å; K205-N207 PolarHBondContact O-N 3.01Å
206	V	26.3	Very low	25.6	Very low	125 Å²	125	150.3 Å²	150.3	76%	0.758	77%	0.767	S	S	*	*			trans	-73	115.7	162.2	178.8	0	0	0	0	106.7	V208	V206-V208 VanDerWaalsContact C-N 3.31Å; V206-V208 HydrophobicContact CG1-CG2 4.14Å; V206-V208 PolarHBondContact O-N 3.21Å
207	N	21.1	Very low	25.6	Very low	147 Å²	147	147 Å²	147	79%	0.786	76%	0.761	S	S	*	*			trans	-64.9	86.2	177.7	-78.9	-37.8	0	0	0	110.4	K205 S209	K205-N207 PolarHBondContact O-N 3.01Å; N207-S209 PolarHBondContact O-N 3.21Å
208	V	27.2	Very low	25.5	Very low	102 Å²	102	146 Å²	146	62%	0.618	77%	0.765	S	S	*	*			trans	-92.4	96.3	166.1	-163.4	0	0	0	0	107.8	V206 I210	V206-V208 VanDerWaalsContact C-N 3.31Å; V206-V208 HydrophobicContact CG1-CG2 4.14Å; V206-V208 PolarHBondContact O-N 3.21Å; V208-I210 VanDerWaalsContact C-N 3.27Å; V208-I210 HydrophobicContact CB-CD1 4.48Å; V208-I210 HydrophobicContact CG1-CD1 3.39Å; V208-I210 HydrophobicContact CG1-CG1 3.71Å; V208-I210 PolarHBondContact O-N 2.96Å
209	S	21.6	Very low	25.4	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	76%	0.759	S	S	*	*			trans	-73.4	79.9	173	-60.8	0	0	0	0	109.3	N207	N207-S209 PolarHBondContact O-N 3.21Å
210	I	31	Very low	25.3	Very low	144 Å²	144	148.5 Å²	148.5	74%	0.738	76%	0.762	S	S	*	*			trans	-97	104.8	171.6	-72.8	157.7	0	0	0	109.7	V208	V208-I210 VanDerWaalsContact C-N 3.27Å; V208-I210 HydrophobicContact CB-CD1 4.48Å; V208-I210 HydrophobicContact CG1-CD1 3.39Å; V208-I210 HydrophobicContact CG1-CG1 3.71Å; V208-I210 PolarHBondContact O-N 2.96Å
211	N	24.5	Very low	25.2	Very low	147 Å²	147	150.5 Å²	150.5	79%	0.786	77%	0.766	S	S	*	*			trans	8.6	107.5	157.2	-67.9	-26.5	0	0	0	117.9	R213	N211-R213 VanDerWaalsContact C-N 3.31Å; N211-R213 PolarHBondContact O-N 2.86Å
212	K	22.8	Very low	25.2	Very low	216 Å²	216	150.2 Å²	150.2	94%	0.939	77%	0.766	S	S	*	*			trans	-57.9	85.8	156.8	-72.2	177.3	176.4	175.3	0	110.9
213	R	23.6	Very low	24.9	Very low	216 Å²	216	152.9 Å²	152.9	82%	0.815	78%	0.78	S	S	*	*			trans	-158.7	57.8	163.4	-162.4	74	-171.9	179.9	2.5	113.1	N211	N211-R213 VanDerWaalsContact C-N 3.31Å; N211-R213 PolarHBondContact O-N 2.86Å
214	F	27	Very low	24.7	Very low	214 Å²	214	154.5 Å²	154.5	94%	0.939	79%	0.789	S	S	*	*			trans	-161.6	76.5	147.5	-85.7	-66.4	0	0	0	108.8
215	Q	21.2	Very low	24.4	Very low	191 Å²	191	150.3 Å²	150.3	89%	0.893	80%	0.795	S	S	*	*			trans	-93.7	100.1	153.4	-76	-178.5	8.6	0	0	106.2
216	M	25	Very low	24.5	Very low	183 Å²	183	150.2 Å²	150.2	90%	0.901	80%	0.797	S	S	*	*			trans	-151.4	121.1	150.6	-78.7	-148.4	170	0	0	110.7
217	A	26.7	Very low	24.5	Very low	85 Å²	85	149.2 Å²	149.2	70%	0.702	80%	0.795	S	S	*	*			trans	58.1	95.8	151.5	0	0	0	0	0	118.4	T219	A217-T219 PolarHBondContact O-N 3.28Å; A217-T219 VanDerWaalsContact O-N 3.07Å
218	S	21.2	Very low	24.6	Very low	130 Å²	130	147.7 Å²	147.7	91%	0.909	79%	0.794	S	S	*	*			trans	-47.4	106	146.2	-50.9	0	0	0	0	110.5
219	T	23.9	Very low	24.4	Very low	106 Å²	106	148.8 Å²	148.8	65%	0.65	80%	0.803	S	S	*	*			trans	-109.4	111.1	157.4	52.4	0	0	0	0	107.6	A217 F221	A217-T219 PolarHBondContact O-N 3.28Å; A217-T219 VanDerWaalsContact O-N 3.07Å; T219-F221 PolarHBondContact O-N 3.16Å
220	K	21.6	Very low	24.8	Very low	193 Å²	193	149.3 Å²	149.3	84%	0.839	80%	0.804	S	S	*	*			trans	-46.5	116.8	169.1	-62.5	176.5	176.1	-175	0	109
221	F	25	Very low	24.6	Very low	176 Å²	176	149.7 Å²	149.7	77%	0.772	81%	0.807	S	S	*	*			trans	-102	102.7	160.8	-102.6	-86.9	0	0	0	106.8	T219 N223	T219-F221 PolarHBondContact O-N 3.16Å; F221-N223 PolarHBondContact O-N 2.98Å
222	D	23.4	Very low	24.5	Very low	137 Å²	137	150.3 Å²	150.3	73%	0.733	81%	0.81	S	S	*	*			trans	-67.4	102.7	164.5	-65.3	-38.4	0	0	0	107.1	T224	D222-T224 VanDerWaalsContact C-N 3.29Å; D222-T224 PolarHBondContact O-N 3.07Å
223	N	25.7	Very low	24.7	Very low	153 Å²	153	148 Å²	148	82%	0.818	81%	0.806	S	S	*	*			trans	-85.6	77.9	169.6	-85.2	-14.1	0	0	0	108.8	F221	F221-N223 PolarHBondContact O-N 2.98Å
224	T	26.2	Very low	25	Very low	116 Å²	116	143.4 Å²	143.4	71%	0.712	80%	0.804	S	S	*	*			trans	-70.2	134.3	153.8	48.4	0	0	0	0	108.8	D222	D222-T224 VanDerWaalsContact C-N 3.29Å; D222-T224 PolarHBondContact O-N 3.07Å
225	G	23.3	Very low	24.8	Very low	75 Å²	75	138.1 Å²	138.1	77%	0.773	80%	0.8	S	S	*	*			trans	-48.4	134.6	-171.8	0	0	0	0	0	115.2
226	H	26.8	Very low	24.9	Very low	182 Å²	182	134.1 Å²	134.1	84%	0.843	79%	0.793	S	S	*	*			trans	-118.1	106.7	155.4	-84.3	-58.1	0	0	0	108.4
227	S	24.7	Very low	25.1	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-50.7	154.1	159.3	40.3	0	0	0	0	111.5
228	P	24.3	Very low	24.9	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.2	155.5	-165.8	27.5	-34.1	0	0	0	113
229	P	23.8	Very low	25.1	Very low	124 Å²	124	139.6 Å²	139.6	81%	0.805	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.2	136.4	-167.6	28.7	-34.7	0	0	0	111.7
230	P	29	Very low	25	Very low	128 Å²	128	143.8 Å²	143.8	83%	0.831	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-83.1	152	-172.3	33.4	-36.1	0	0	0	113.8
231	D	26.5	Very low	25.1	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-59.3	132.9	-179.5	-73.1	-49.3	0	0	0	115.6
232	L	23.6	Very low	24.8	Very low	160 Å²	160	144.1 Å²	144.1	84%	0.838	81%	0.81	S	S	*	*			trans	14.1	103.3	141.2	-60	171.7	0	0	0	119.8
233	I	27.1	Very low	24.8	Very low	168 Å²	168	142.8 Å²	142.8	86%	0.862	81%	0.811	S	S	*	*			trans	-150.2	146.5	148.8	-67.3	-165.4	0	0	0	109.1
234	P	29.1	Very low	24.6	Very low	118 Å²	118	142.9 Å²	142.9	77%	0.766	81%	0.806	S	S	*	*			trans	-107	178.4	-130.2	41.2	-38.1	0	0	0	117.4	S236	P234-S236 PolarHBondContact O-N 3.44Å
235	A	22.1	Very low	24.3	Very low	104 Å²	104	142.6 Å²	142.6	86%	0.86	81%	0.809	S	S	*	*			trans	-47.6	117.6	-179.1	0	0	0	0	0	116.5
236	S	23.2	Very low	24.4	Very low	106 Å²	106	148.1 Å²	148.1	74%	0.741	82%	0.815	S	S	*	*			trans	-163.7	105.8	136.3	60.4	0	0	0	0	109.5	P234	P234-S236 PolarHBondContact O-N 3.44Å
237	E	30.5	Very low	24	Very low	195 Å²	195	145.6 Å²	145.6	91%	0.911	81%	0.812	S	S	*	*			trans	175.2	120.8	132.2	-97.7	170.6	175.8	0	0	111.1
238	K	21.8	Very low	24	Very low	194 Å²	194	147.2 Å²	147.2	84%	0.843	82%	0.818	S	S	*	*			trans	-72.8	136.3	168.7	-67.9	169.6	174.8	173.6	0	108.1
239	T	25.4	Very low	23.8	Very low	124 Å²	124	149.2 Å²	149.2	76%	0.761	82%	0.822	S	S	*	*				162.5	126.3	113.4	38.7	0	0	0	0	113.4
240	K	21.8	Very low	23.9	Very low	194 Å²	194	149.3 Å²	149.3	84%	0.843	82%	0.823	S	S	*	*			trans	24.2	107.6	143.6	-67.6	176.7	176.5	177.6	0	118.8
241	F	23	Very low	23.5	Very low	214 Å²	214	148.7 Å²	148.7	94%	0.939	82%	0.822	S	S	*	*			trans	-123.6	107.5	137.5	-81.2	-82.3	0	0	0	110.1
242	L	20.6	Very low	23.5	Very low	162 Å²	162	146.8 Å²	146.8	85%	0.848	82%	0.82	S	S	*	*			trans	-89.5	124.1	166.7	171.7	71	0	0	0	106.8
243	C	21.5	Very low	23.3	Very low	110 Å²	110	145.7 Å²	145.7	74%	0.743	82%	0.82	S	S	*	*			trans	-159.1	107.7	162.8	-170.1	0	0	0	0	114.3
244	H	23.3	Very low	23.2	Very low	155 Å²	155	145.2 Å²	145.2	72%	0.718	82%	0.818	S	S	*	*			trans	59.5	99.9	135.1	-57.1	73.5	0	0	0	121.1
245	S	19.5	Very low	22.9	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	81%	0.814	S	S	*	*			trans	-23.8	131.5	135.6	-16.5	0	0	0	0	114.9
246	Q	24.5	Very low	22.8	Very low	191 Å²	191	146.5 Å²	146.5	89%	0.893	81%	0.813	S	S	*	*			trans	-121.5	112.6	149.4	-74.3	-176	22.3	0	0	108.4
247	T	19	Very low	22.8	Very low	129 Å²	129	148.4 Å²	148.4	79%	0.791	82%	0.82	S	S	*	*			trans	-86	128.1	170	46.4	0	0	0	0	108.6
248	T	24	Very low	22.3	Very low	138 Å²	138	142.1 Å²	142.1	85%	0.847	81%	0.808	S	S	*	*			trans	-137.9	133.7	160.6	48	0	0	0	0	110.4
249	D	20.7	Very low	22.2	Very low	158 Å²	158	140.1 Å²	140.1	85%	0.845	81%	0.806	S	S	*	*			trans	-70.6	154.7	-161.8	-71.8	-53.9	0	0	0	116
250	P	25.7	Very low	22.2	Very low	125 Å²	125	143.6 Å²	143.6	81%	0.812	81%	0.814	S	S	*	*			trans	-94	119.1	169	34.4	-26.1	0	0	0	111.4
251	S	21.8	Very low	22.1	Very low	116 Å²	116	143 Å²	143	81%	0.811	82%	0.816	S	S	*	*			trans	-159.7	107.9	159	-177.4	0	0	0	0	110.7
252	S	25.3	Very low	22.4	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	81%	0.813	S	S	*	*			trans	-174	88.5	141.3	36	0	0	0	0	109.7
253	T	20.5	Very low	22.6	Very low	137 Å²	137	140.8 Å²	140.8	84%	0.84	81%	0.813	S	S	*	*			trans	-63	123.8	160.1	-59.2	0	0	0	0	109.5
254	L	24	Very low	22.6	Very low	157 Å²	157	140.7 Å²	140.7	82%	0.822	81%	0.814	S	S	*	*			trans	-131	97.8	165.3	-87.4	170.6	0	0	0	111.1
255	T	22.2	Very low	22.6	Very low	111 Å²	111	141.5 Å²	141.5	68%	0.681	82%	0.82	S	S	*	*			trans	13	113.9	139.9	52.8	0	0	0	0	121.7
256	V	20.5	Very low	22.8	Very low	138 Å²	138	142 Å²	142	84%	0.836	82%	0.821	S	S	*	*				14.5	122.7	121.5	-171.9	0	0	0	0	120.1
257	V	23.1	Very low	22.9	Very low	146 Å²	146	139.3 Å²	139.3	89%	0.885	82%	0.817	S	S	*	*			trans	-152.5	113.9	136	-177.2	0	0	0	0	105.2
258	G	21.3	Very low	23.3	Very low	64 Å²	64	135.9 Å²	135.9	66%	0.66	81%	0.807	S	S	*	*				89.1	100.8	81.2	0	0	0	0	0	108.8
259	D	19.7	Very low	23.7	Very low	151 Å²	151	136.6 Å²	136.6	81%	0.807	81%	0.806	S	S	*	*				116.5	108	69.7	-158.7	20.9	0	0	0	106.6
260	E	25	Very low	24.1	Very low	197 Å²	197	137 Å²	137	92%	0.921	80%	0.803	S	S	*	*			trans	-164	120.2	150.1	-110.7	-180	-161.4	0	0	109.6
261	M	20.3	Very low	24.6	Very low	181 Å²	181	135.2 Å²	135.2	89%	0.892	79%	0.791	S	S	*	*			trans	-76.1	128.3	-170.4	-61.6	162.1	101.4	0	0	111.5
262	I	28.4	Very low	25.5	Very low	171 Å²	171	134.7 Å²	134.7	88%	0.877	78%	0.779	S	S	*	*			trans	-132.4	140.8	151.4	31.3	172.3	0	0	0	109
263	D	24.3	Very low	26.1	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	77%	0.774	S	S	*	*			trans	-64.5	151.3	-153.8	-159.7	7.8	0	0	0	115.2
264	S	21.2	Very low	27.6	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	76%	0.759	S	S	*	*			trans	-75.7	123.3	-167.9	-53	0	0	0	0	111.9
265	M	23.1	Very low	28.8	Very low	173 Å²	173	138 Å²	138	85%	0.852	76%	0.756	S	S	*	*			trans	-132.1	139.3	138.2	-94.8	-146.4	148.9	0	0	109	V267	M265-V267 PolarHBondContact O-N 3.35Å; M265-V267 VanDerWaalsContact O-N 3.08Å
266	P	24.9	Very low	30.9	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	74%	0.738	S	S	*	*			trans	-71.8	115	-157.4	28.6	-32.1	0	0	0	109.5	G268	P266-G268 PolarHBondContact O-N 2.81Å
267	V	26.8	Very low	32.7	Very low	134 Å²	134	137.7 Å²	137.7	81%	0.812	73%	0.733	S	S	*	*			trans	-61.3	90.7	158	179.4	0	0	0	0	105.6	M265 N269	M265-V267 PolarHBondContact O-N 3.35Å; M265-V267 VanDerWaalsContact O-N 3.08Å; V267-N269 PolarHBondContact O-N 3.45Å; V267-N269 VanDerWaalsContact O-N 3.1Å
268	G	27.8	Very low	34.8	Very low	56 Å²	56	134.4 Å²	134.4	58%	0.577	72%	0.716	S	S	*	*			trans	-53.7	117.7	160.1	0	0	0	0	0	105.8	P266 E270	P266-G268 PolarHBondContact O-N 2.81Å; G268-E270 PolarHBondContact O-N 3.31Å
269	N	30.6	Very low	36.6	Very low	153 Å²	153	136.1 Å²	136.1	82%	0.818	71%	0.71	S	S	*	*			trans	-42.7	117.7	166.8	-68.9	-44.2	0	0	0	106.8	V267 P271	V267-N269 PolarHBondContact O-N 3.45Å; V267-N269 VanDerWaalsContact O-N 3.1Å; N269-P271 WeakPolarHBondContact O-CD 3.4Å
270	E	29.9	Very low	39.2	Very low	167 Å²	167	131.5 Å²	131.5	78%	0.78	69%	0.687	S	S	*	*			trans	-98	77.7	173.8	-165	-175.7	-157.1	0	0	107.2	G268 D272	G268-E270 PolarHBondContact O-N 3.31Å; E270-D272 PolarHBondContact O-N 3.5Å
271	P	35.7	Very low	41.8	Very low	88 Å²	88	124.7 Å²	124.7	57%	0.571	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	95.6	173.4	33.8	-32.7	0	0	0	107.4	N269	N269-P271 WeakPolarHBondContact O-CD 3.4Å
272	D	40.5	Very low	44.3	Very low	105 Å²	105	119.8 Å²	119.8	56%	0.561	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	178.8	13.8	148.3	-97.2	-1.6	0	0	0	114.3	E270 M274 K420	E270-D272 PolarHBondContact O-N 3.5Å; D272-M274 PolarHBondContact O-N 3Å; D272-K420 IonicContact OD2-NZ 3.23Å
273	R	38.8	Very low	46.5	Very low	178 Å²	178	113.7 Å²	113.7	67%	0.672	60%	0.603	S	S	*	*			trans	-80.9	100.6	171	-168	171.8	-174.3	171.6	1.3	110.9	Y275	R273-Y275 HydrophobicContact CG-CD2 4.39Å; R273-Y275 HydrophobicContact CG-CE2 4.29Å; R273-Y275 PolarHBondContact NH2-OH 3.38Å
274	M	52.4	Low	49.2	Very low	108 Å²	108	106.3 Å²	106.3	53%	0.532	57%	0.565	S	S	.	*			trans	-91	120.4	167.6	-86.8	-178.3	63.1	0	0	110.7	D272 V276 L315	D272-M274 PolarHBondContact O-N 3Å; M274-V276 HydrophobicContact CE-CG2 4.49Å; M274-L315 HydrophobicContact CE-CD1 3.37Å
275	Y	48.4	Very low	52.2	Low	189 Å²	189	106.8 Å²	106.8	74%	0.741	55%	0.553	S	S	*	*			trans	-82	115.2	164.6	-91.4	-93.7	0	0	0	109.2	R273	R273-Y275 HydrophobicContact CG-CD2 4.39Å; R273-Y275 HydrophobicContact CG-CE2 4.29Å; R273-Y275 PolarHBondContact NH2-OH 3.38Å
276	V	65.7	Low	54.6	Low	52 Å²	52	106.4 Å²	106.4	32%	0.315	54%	0.542	S	S	.	.			trans	-104.9	128	173.5	-176.2	0	0	0	0	107.4	M274 T280 L281 L311	M274-V276 HydrophobicContact CE-CG2 4.49Å; V276-T280 HydrophobicContact CG1-CG2 4.23Å; V276-L281 HydrophobicContact CG1-CB 3.94Å; V276-L311 HydrophobicContact CG1-CD1 4.22Å; V276-L311 HydrophobicContact CG1-CD2 3.84Å; V276-L311 HydrophobicContact CG2-CD1 4.2Å
277	R	59	Low	57	Low	190 Å²	190	105.2 Å²	105.2	72%	0.717	52%	0.522	S	S	*	.			trans	-66.7	142.6	174.9	-59.3	179.8	82.2	91.3	-0.2	109.8	D279 T280 L281	R277-D279 WeakPolarHBondContact CB-OD1 3.47Å; R277-D279 PolarHBondContact O-N 3.07Å; R277-T280 WeakPolarHBondContact O-CB 3.43Å; R277-T280 PolarHBondContact O-N 3.16Å; R277-L281 PolarHBondContact O-N 2.85Å
278	S	68	Low	59.7	Low	77 Å²	77	99.2 Å²	99.2	54%	0.538	49%	0.486	S	S	.	.	H	α-helix	trans	-58.5	-34.3	-173.7	-49.4	0	0	0	0	113.2	R282	S278-R282 WeakPolarHBondContact O-CB 3.28Å; S278-R282 PolarHBondContact O-N 3.36Å
279	D	58.2	Low	61.9	Low	101 Å²	101	104.5 Å²	104.5	54%	0.54	49%	0.489	S	S	.	.	H	α-helix	trans	-65.1	-40.8	174.4	63.8	-26.8	0	0	0	113	R277 R282 A283	R277-D279 WeakPolarHBondContact CB-OD1 3.47Å; R277-D279 PolarHBondContact O-N 3.07Å; D279-R282 PolarHBondContact O-N 3.45Å; D279-A283 WeakPolarHBondContact O-CB 3.29Å; D279-A283 PolarHBondContact O-N 2.89Å
280	T	74.7	Confident	63.8	Low	53 Å²	53	99 Å²	99	33%	0.325	46%	0.464	S	S	.	.	H	α-helix	trans	-68.4	-42.4	178.1	-54.1	0	0	0	0	110.4	V276 R277 A283 A284 L311	V276-T280 HydrophobicContact CG1-CG2 4.23Å; R277-T280 WeakPolarHBondContact O-CB 3.43Å; R277-T280 PolarHBondContact O-N 3.16Å; T280-A283 PolarHBondContact O-N 3.47Å; T280-A284 PolarHBondContact O-N 2.99Å; T280-L311 HydrophobicContact CG2-CD2 3.8Å
281	L	80.2	Confident	65.8	Low	54 Å²	54	93.8 Å²	93.8	28%	0.283	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-42.4	173.8	-175.5	63.2	0	0	0	111.4	V276 R277 A283 A284 K285 I307 L311 F424	V276-L281 HydrophobicContact CG1-CB 3.94Å; R277-L281 PolarHBondContact O-N 2.85Å; L281-A283 PolarHBondContact O-N 3.19Å; L281-A284 WeakPolarHBondContact O-CB 3.44Å; L281-A284 PolarHBondContact O-N 2.83Å; L281-K285 PolarHBondContact O-N 3.11Å; L281-I307 HydrophobicContact CD1-CG2 3.87Å; L281-L311 HydrophobicContact CD1-CD1 4.07Å; L281-F424 HydrophobicContact CD2-CE1 4.01Å
282	R	72	Confident	67.2	Low	79 Å²	79	97 Å²	97	30%	0.298	45%	0.449	S	S	.	.	H	α-helix	trans	-61.1	-43.5	176.1	-170.1	-176.2	-60.1	-108	2.2	111.8	S278 D279 A284 K285 R286 D432 E436	S278-R282 WeakPolarHBondContact O-CB 3.28Å; S278-R282 PolarHBondContact O-N 3.36Å; D279-R282 PolarHBondContact O-N 3.45Å; R282-A284 VanDerWaalsContact C-N 3.33Å; R282-A284 PolarHBondContact O-N 3.28Å; R282-K285 PolarHBondContact O-N 2.81Å; R282-R286 WeakPolarHBondContact O-CG 3.11Å; R282-R286 PolarHBondContact O-N 3.09Å; R282-D432 IonicContact NH2-OD1 3.74Å; R282-E436 IonicContact NH1-OE1 2.81Å; R282-E436 PolarHBondContact NH1-OE1 2.92Å; R282-E436 VanDerWaalsContact NH1-OE1 3.12Å
283	A	73.4	Confident	68	Low	42 Å²	42	97.6 Å²	97.6	35%	0.347	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-39.5	174.5	0	0	0	0	0	111.9	D279 T280 L281 R287	D279-A283 WeakPolarHBondContact O-CB 3.29Å; D279-A283 PolarHBondContact O-N 2.89Å; T280-A283 PolarHBondContact O-N 3.47Å; L281-A283 PolarHBondContact O-N 3.19Å; A283-R287 WeakPolarHBondContact O-CG 3.46Å; A283-R287 PolarHBondContact O-N 2.98Å
284	A	82.5	Confident	68.7	Low	5 Å²	5	95.2 Å²	95.2	4%	0.041	45%	0.447	C	S	.	.	H	α-helix	trans	-66.3	-43.3	175	0	0	0	0	0	112.1	T280 L281 R282 R286 R287 S288 I307 L310 L311	T280-A284 PolarHBondContact O-N 2.99Å; L281-A284 WeakPolarHBondContact O-CB 3.44Å; L281-A284 PolarHBondContact O-N 2.83Å; R282-A284 VanDerWaalsContact C-N 3.33Å; R282-A284 PolarHBondContact O-N 3.28Å; A284-R286 PolarHBondContact O-N 2.82Å; A284-R287 PolarHBondContact O-N 3.02Å; A284-S288 WeakPolarHBondContact O-CB 3.44Å; A284-S288 PolarHBondContact O-N 3.49Å; A284-I307 HydrophobicContact CB-CG2 4.08Å; A284-L310 HydrophobicContact CB-CB 4.29Å; A284-L311 HydrophobicContact CB-CD2 3.75Å; A284-L311 HydrophobicContact CB-CG 3.94Å
285	K	82.7	Confident	68.7	Low	117 Å²	117	92.1 Å²	92.1	51%	0.509	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-43.1	175.8	-167.6	178	-178.1	-175.4	0	111.7	L281 R282 R287 S288 W289 I307	L281-K285 PolarHBondContact O-N 3.11Å; R282-K285 PolarHBondContact O-N 2.81Å; K285-R287 VanDerWaalsContact C-N 3.34Å; K285-R287 PolarHBondContact O-N 3.25Å; K285-S288 WeakPolarHBondContact O-CB 3.34Å; K285-S288 PolarHBondContact O-N 3.48Å; K285-W289 WeakPolarHBondContact O-CB 3.45Å; K285-W289 PolarHBondContact O-N 3.4Å; K285-I307 HydrophobicContact CG-CD1 4.49Å
286	R	75.3	Confident	68.9	Low	166 Å²	166	89.7 Å²	89.7	63%	0.626	44%	0.443	S	S	*	.	H	α-helix	trans	-60.6	-41.1	174.7	-75.6	177.8	179	150.8	-1.4	112.5	R282 A284 A290	R282-R286 WeakPolarHBondContact O-CG 3.11Å; R282-R286 PolarHBondContact O-N 3.09Å; A284-R286 PolarHBondContact O-N 2.82Å; R286-A290 WeakPolarHBondContact O-CB 3.37Å; R286-A290 PolarHBondContact O-N 2.73Å
287	R	75.2	Confident	67.7	Low	96 Å²	96	95.7 Å²	95.7	36%	0.362	47%	0.467	S	S	.	.	H	α-helix	trans	-70	-39.5	175.7	-72.1	-177.9	-170.9	177.1	11	112.4	A283 A284 K285 W289 A290 D291 L310 E314	A283-R287 WeakPolarHBondContact O-CG 3.46Å; A283-R287 PolarHBondContact O-N 2.98Å; A284-R287 PolarHBondContact O-N 3.02Å; K285-R287 VanDerWaalsContact C-N 3.34Å; K285-R287 PolarHBondContact O-N 3.25Å; R287-W289 VanDerWaalsContact C-N 3.32Å; R287-W289 PolarHBondContact O-N 3.33Å; R287-A290 PolarHBondContact O-N 3.3Å; R287-D291 WeakPolarHBondContact O-CB 3.47Å; R287-D291 PolarHBondContact O-N 3.13Å; R287-L310 HydrophobicContact CB-CD1 4.11Å; R287-L310 HydrophobicContact CB-CD2 3.96Å; R287-E314 IonicContact CZ-OE1 2.81Å; R287-E314 IonicContact CZ-OE2 3.18Å; R287-E314 IonicContact NH1-OE1 2.66Å; R287-E314 PolarHBondContact NH1-OE1 3.07Å; R287-E314 IonicContact NH1-OE2 3.63Å; R287-E314 PolarHBondContact NH1-OE2 3.26Å; R287-E314 VanDerWaalsContact NH1-OE2 3.15Å; R287-E314 IonicContact NH2-OE1 2.56Å; R287-E314 IonicContact NH2-OE2 2.8Å; R287-E314 PolarHBondContact NH2-OE2 3.03Å
288	S	82.5	Confident	67.1	Low	7 Å²	7	89.7 Å²	89.7	5%	0.049	45%	0.454	C	S	.	.	H	α-helix	trans	-55.7	-49.6	172.7	-179.8	0	0	0	0	110.9	A284 K285 D291 H292 E303 H306	A284-S288 WeakPolarHBondContact O-CB 3.44Å; A284-S288 PolarHBondContact O-N 3.49Å; K285-S288 WeakPolarHBondContact O-CB 3.34Å; K285-S288 PolarHBondContact O-N 3.48Å; S288-D291 PolarHBondContact O-N 3.22Å; S288-H292 PolarHBondContact O-N 3.31Å; S288-H292 VanDerWaalsContact O-N 3.07Å; S288-E303 WeakPolarHBondContact OG-CG 3.39Å; S288-H306 PolarHBondContact OG-CD2 2.83Å
289	W	74.9	Confident	66.4	Low	168 Å²	168	91.3 Å²	91.3	64%	0.636	47%	0.466	S	S	*	.	H	α-helix	trans	-63.4	-44	177.1	-173	86.8	0	0	0	112.5	K285 R287 H292 H293	K285-W289 WeakPolarHBondContact O-CB 3.45Å; K285-W289 PolarHBondContact O-N 3.4Å; R287-W289 VanDerWaalsContact C-N 3.32Å; R287-W289 PolarHBondContact O-N 3.33Å; W289-H292 WeakPolarHBondContact O-CB 3.32Å; W289-H292 PolarHBondContact O-N 3.41Å; W289-H293 AromaticContact CD2-CD2 3.64Å; W289-H293 AromaticContact CD2-NE2 3.72Å; W289-H293 AromaticContact CE2-CD2 3.52Å; W289-H293 AromaticContact CE2-NE2 3.12Å; W289-H293 AromaticContact CE3-CD2 3.83Å; W289-H293 AromaticContact CH2-CD2 3.81Å; W289-H293 AromaticContact CH2-NE2 3.86Å; W289-H293 AromaticContact CZ2-CD2 3.63Å; W289-H293 AromaticContact CZ2-NE2 3.22Å; W289-H293 WeakPolarHBondContact CZ2-NE2 3.49Å; W289-H293 AromaticContact CZ3-CD2 3.91Å; W289-H293 AromaticContact NE1-NE2 3.35Å; W289-H293 PolarHBondContact NE1-NE2 3.09Å; W289-H293 PolarHBondContact O-CD2 3.46Å; W289-H293 PolarHBondContact O-N 3.46Å
290	A	69.8	Low	66	Low	37 Å²	37	91 Å²	91	31%	0.306	47%	0.467	S	S	.	.	H	α-helix	trans	-63.5	-42.4	177.1	0	0	0	0	0	112.6	R286 R287 H292 H293 I294	R286-A290 WeakPolarHBondContact O-CB 3.37Å; R286-A290 PolarHBondContact O-N 2.73Å; R287-A290 PolarHBondContact O-N 3.3Å; A290-H292 VanDerWaalsContact C-N 3.29Å; A290-H292 PolarHBondContact O-N 3.38Å; A290-H293 PolarHBondContact O-N 3.32Å; A290-I294 WeakPolarHBondContact O-CG1 3.34Å; A290-I294 PolarHBondContact O-N 3.46Å
291	D	71.9	Confident	65	Low	57 Å²	57	97 Å²	97	31%	0.305	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-36.8	177.8	-73.1	-18.1	0	0	0	111.3	R287 S288 H293 I294 H306	R287-D291 WeakPolarHBondContact O-CB 3.47Å; R287-D291 PolarHBondContact O-N 3.13Å; S288-D291 PolarHBondContact O-N 3.22Å; D291-H293 VanDerWaalsContact C-N 3.26Å; D291-H293 PolarHBondContact O-N 3.05Å; D291-I294 PolarHBondContact O-N 2.87Å; D291-H306 IonicContact OD2-CE1 3.84Å; D291-H306 IonicContact OD2-NE2 2.83Å; D291-H306 PolarHBondContact OD2-NE2 3.46Å; D291-H306 VanDerWaalsContact OD2-NE2 3.11Å
292	H	65.1	Low	64.6	Low	155 Å²	155	98 Å²	98	72%	0.718	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-32.4	176.9	-169.6	-85	0	0	0	112.4	S288 W289 A290	S288-H292 PolarHBondContact O-N 3.31Å; S288-H292 VanDerWaalsContact O-N 3.07Å; W289-H292 WeakPolarHBondContact O-CB 3.32Å; W289-H292 PolarHBondContact O-N 3.41Å; A290-H292 VanDerWaalsContact C-N 3.29Å; A290-H292 PolarHBondContact O-N 3.38Å
293	H	56.4	Low	64.7	Low	118 Å²	118	99.5 Å²	99.5	55%	0.546	51%	0.514	S	S	.	.	H	α-helix	trans	-86.7	-18.7	178	-69	-62	0	0	0	114.3	W289 A290 D291	W289-H293 AromaticContact CD2-CD2 3.64Å; W289-H293 AromaticContact CD2-NE2 3.72Å; W289-H293 AromaticContact CE2-CD2 3.52Å; W289-H293 AromaticContact CE2-NE2 3.12Å; W289-H293 AromaticContact CE3-CD2 3.83Å; W289-H293 AromaticContact CH2-CD2 3.81Å; W289-H293 AromaticContact CH2-NE2 3.86Å; W289-H293 AromaticContact CZ2-CD2 3.63Å; W289-H293 AromaticContact CZ2-NE2 3.22Å; W289-H293 WeakPolarHBondContact CZ2-NE2 3.49Å; W289-H293 AromaticContact CZ3-CD2 3.91Å; W289-H293 AromaticContact NE1-NE2 3.35Å; W289-H293 PolarHBondContact NE1-NE2 3.09Å; W289-H293 PolarHBondContact O-CD2 3.46Å; W289-H293 PolarHBondContact O-N 3.46Å; A290-H293 PolarHBondContact O-N 3.32Å; D291-H293 VanDerWaalsContact C-N 3.26Å; D291-H293 PolarHBondContact O-N 3.05Å
294	I	53.9	Low	64.8	Low	129 Å²	129	100.3 Å²	100.3	66%	0.662	51%	0.514	S	S	*	.	H	α-helix	trans	-89.6	-3.3	-178.2	-66.1	170	0	0	0	112.5	A290 D291 N296	A290-I294 WeakPolarHBondContact O-CG1 3.34Å; A290-I294 PolarHBondContact O-N 3.46Å; D291-I294 PolarHBondContact O-N 2.87Å; I294-N296 PolarHBondContact O-N 3.04Å
295	G	53.3	Low	64.4	Low	42 Å²	42	103.3 Å²	103.3	43%	0.433	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	14.2	168.3	0	0	0	0	0	115.5	H297	G295-H297 PolarHBondContact O-N 3.45Å; G295-H297 VanDerWaalsContact O-N 3.16Å
296	N	52.9	Low	64.1	Low	139 Å²	139	99.8 Å²	99.8	74%	0.743	51%	0.513	S	S	*	.			trans	-80.6	93.3	167.3	-89.4	-10.4	0	0	0	109.5	I294 S298	I294-N296 PolarHBondContact O-N 3.04Å; N296-S298 PolarHBondContact O-N 2.67Å
297	H	39.8	Very low	64.4	Low	177 Å²	177	93.1 Å²	93.1	82%	0.819	49%	0.489	S	S	*	.			trans	-62.7	99.9	178.4	-64.2	-71.1	0	0	0	112.3	G295 S299	G295-H297 PolarHBondContact O-N 3.45Å; G295-H297 VanDerWaalsContact O-N 3.16Å; H297-S299 PolarHBondContact O-N 2.8Å
298	S	45.8	Very low	64.5	Low	64 Å²	64	92.7 Å²	92.7	45%	0.448	49%	0.487	S	S	.	.			trans	-77.5	104.4	151.4	170.7	0	0	0	0	107.2	N296 T300	N296-S298 PolarHBondContact O-N 2.67Å; S298-T300 PolarHBondContact O-N 3.1Å; S298-T300 VanDerWaalsContact O-N 3.07Å
299	S	53.7	Low	64.3	Low	112 Å²	112	97.3 Å²	97.3	78%	0.783	51%	0.511	S	S	*	.			trans	-80.2	28	-169.3	60.3	0	0	0	0	115.3	H297	H297-S299 PolarHBondContact O-N 2.8Å
300	T	50	Low	64.6	Low	94 Å²	94	89.9 Å²	89.9	58%	0.577	48%	0.484	S	S	*	.	S	Bend	trans	-124.7	113.7	175.9	60.1	0	0	0	0	110.5	S298 D302	S298-T300 PolarHBondContact O-N 3.1Å; S298-T300 VanDerWaalsContact O-N 3.07Å; T300-D302 PolarHBondContact O-N 3.46Å
301	N	53.2	Low	65.1	Low	179 Å²	179	89.1 Å²	89.1	96%	0.957	47%	0.474	S	S	*	.	S	Bend	trans	-64.9	57.3	-173	-79.6	-13	0	0	0	115.6
302	D	71.9	Confident	65.2	Low	76 Å²	76	88.9 Å²	88.9	41%	0.406	48%	0.477	S	S	.	.			trans	-144	101.6	163.4	-155.9	-10.8	0	0	0	109.5	T300 T304 E305 H306	T300-D302 PolarHBondContact O-N 3.46Å; D302-T304 PolarHBondContact O-N 3.24Å; D302-T304 VanDerWaalsContact O-N 3.1Å; D302-T304 WeakPolarHBondContact OD1-CB 3.19Å; D302-T304 PolarHBondContact OD1-N 2.95Å; D302-T304 PolarHBondContact OD1-OG1 2.98Å; D302-E305 HydrophobicContact CB-CB 4.15Å; D302-E305 HydrophobicContact CB-CG 4.07Å; D302-E305 PolarHBondContact O-N 3.45Å; D302-H306 PolarHBondContact O-N 3.34Å; D302-H306 VanDerWaalsContact O-N 3.14Å
303	E	75.5	Confident	65.6	Low	110 Å²	110	89.4 Å²	89.4	51%	0.514	47%	0.472	S	S	.	.	H	α-helix	trans	-50.2	-33.3	171.6	-173.4	-175.5	173	0	0	110.6	S288 E305 H306 I307	S288-E303 WeakPolarHBondContact OG-CG 3.39Å; E303-E305 PolarHBondContact O-N 3.37Å; E303-H306 PolarHBondContact O-N 3.12Å; E303-I307 HydrophobicContact CG-CD1 4.09Å; E303-I307 WeakPolarHBondContact O-CG1 3.46Å; E303-I307 PolarHBondContact O-N 2.96Å
304	T	74.8	Confident	66.1	Low	58 Å²	58	86.5 Å²	86.5	36%	0.356	46%	0.459	S	S	.	.	H	α-helix	trans	-58.1	-44.9	175	-41.1	0	0	0	0	112.2	D302 I307 R308 V422	D302-T304 PolarHBondContact O-N 3.24Å; D302-T304 VanDerWaalsContact O-N 3.1Å; D302-T304 WeakPolarHBondContact OD1-CB 3.19Å; D302-T304 PolarHBondContact OD1-N 2.95Å; D302-T304 PolarHBondContact OD1-OG1 2.98Å; T304-I307 PolarHBondContact O-N 3.4Å; T304-R308 WeakPolarHBondContact O-CB 3.3Å; T304-R308 PolarHBondContact O-N 3.47Å; T304-V422 HydrophobicContact CG2-CB 4.36Å; T304-V422 HydrophobicContact CG2-CG2 3.92Å
305	E	73.1	Confident	66.5	Low	69 Å²	69	82.9 Å²	82.9	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-72	-33	178	-73.6	-62.8	127.4	0	0	111.4	D302 E303 R308 L309	D302-E305 HydrophobicContact CB-CB 4.15Å; D302-E305 HydrophobicContact CB-CG 4.07Å; D302-E305 PolarHBondContact O-N 3.45Å; E303-E305 PolarHBondContact O-N 3.37Å; E305-R308 WeakPolarHBondContact O-CB 3.34Å; E305-R308 PolarHBondContact O-N 3.34Å; E305-L309 WeakPolarHBondContact O-CB 3.24Å; E305-L309 VanDerWaalsContact O-CG 3.27Å; E305-L309 WeakPolarHBondContact O-CG 3.45Å; E305-L309 PolarHBondContact O-N 3.34Å
306	H	77.6	Confident	66.6	Low	42 Å²	42	88.1 Å²	88.1	19%	0.194	45%	0.452	C	S	.	.	H	α-helix	trans	-64.5	-46.1	172.7	-170.8	57	0	0	0	111.8	S288 D291 D302 E303 R308 L309 L310	S288-H306 PolarHBondContact OG-CD2 2.83Å; D291-H306 IonicContact OD2-CE1 3.84Å; D291-H306 IonicContact OD2-NE2 2.83Å; D291-H306 PolarHBondContact OD2-NE2 3.46Å; D291-H306 VanDerWaalsContact OD2-NE2 3.11Å; D302-H306 PolarHBondContact O-N 3.34Å; D302-H306 VanDerWaalsContact O-N 3.14Å; E303-H306 PolarHBondContact O-N 3.12Å; H306-R308 VanDerWaalsContact C-N 3.31Å; H306-R308 PolarHBondContact O-N 3Å; H306-L309 PolarHBondContact O-N 3.3Å; H306-L310 WeakPolarHBondContact O-CB 3.39Å; H306-L310 PolarHBondContact O-N 3.32Å
307	I	80.6	Confident	67	Low	26 Å²	26	87.5 Å²	87.5	13%	0.133	44%	0.442	C	S	.	.	H	α-helix	trans	-60.7	-42.6	173.3	-67.9	170.2	0	0	0	110.2	L281 A284 K285 E303 T304 L309 L310 L311	L281-I307 HydrophobicContact CD1-CG2 3.87Å; A284-I307 HydrophobicContact CB-CG2 4.08Å; K285-I307 HydrophobicContact CG-CD1 4.49Å; E303-I307 HydrophobicContact CG-CD1 4.09Å; E303-I307 WeakPolarHBondContact O-CG1 3.46Å; E303-I307 PolarHBondContact O-N 2.96Å; T304-I307 PolarHBondContact O-N 3.4Å; I307-L309 PolarHBondContact O-N 2.96Å; I307-L310 WeakPolarHBondContact O-CB 3.27Å; I307-L310 PolarHBondContact O-N 2.88Å; I307-L311 HydrophobicContact CG2-CD1 4Å; I307-L311 HydrophobicContact CG2-CG 4.39Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 VanDerWaalsContact O-CG 3.28Å; I307-L311 WeakPolarHBondContact O-CG 3.05Å; I307-L311 PolarHBondContact O-N 3.33Å
308	R	77.5	Confident	67.5	Low	87 Å²	87	82 Å²	82	33%	0.328	43%	0.434	S	S	.	.	H	α-helix	trans	-58.7	-46.2	175.7	-170.9	-173.3	-175.2	118.5	11.9	111.6	T304 E305 H306 L311 C312	T304-R308 WeakPolarHBondContact O-CB 3.3Å; T304-R308 PolarHBondContact O-N 3.47Å; E305-R308 WeakPolarHBondContact O-CB 3.34Å; E305-R308 PolarHBondContact O-N 3.34Å; H306-R308 VanDerWaalsContact C-N 3.31Å; H306-R308 PolarHBondContact O-N 3Å; R308-L311 PolarHBondContact O-N 3.38Å; R308-C312 WeakPolarHBondContact O-CB 3.36Å; R308-C312 PolarHBondContact O-N 3.02Å; R308-C312 PolarHBondContact O-SG 2.87Å
309	L	78.2	Confident	67.3	Low	104 Å²	104	88.3 Å²	88.3	55%	0.545	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-40.3	177.1	-73.2	171.6	0	0	0	112.1	E305 H306 I307 C312 R313	E305-L309 WeakPolarHBondContact O-CB 3.24Å; E305-L309 VanDerWaalsContact O-CG 3.27Å; E305-L309 WeakPolarHBondContact O-CG 3.45Å; E305-L309 PolarHBondContact O-N 3.34Å; H306-L309 PolarHBondContact O-N 3.3Å; I307-L309 PolarHBondContact O-N 2.96Å; L309-C312 PolarHBondContact O-N 3.43Å; L309-R313 VanDerWaalsContact O-CB 3.25Å; L309-R313 WeakPolarHBondContact O-CB 3.45Å; L309-R313 PolarHBondContact O-N 3.45Å
310	L	82.1	Confident	66.8	Low	13 Å²	13	86.3 Å²	86.3	7%	0.068	44%	0.436	C	S	.	.	H	α-helix	trans	-59	-48.1	173.5	-86.5	159.9	0	0	0	111.2	A284 R287 H306 I307 R313 E314	A284-L310 HydrophobicContact CB-CB 4.29Å; R287-L310 HydrophobicContact CB-CD1 4.11Å; R287-L310 HydrophobicContact CB-CD2 3.96Å; H306-L310 WeakPolarHBondContact O-CB 3.39Å; H306-L310 PolarHBondContact O-N 3.32Å; I307-L310 WeakPolarHBondContact O-CB 3.27Å; I307-L310 PolarHBondContact O-N 2.88Å; L310-R313 PolarHBondContact O-N 2.9Å; L310-E314 WeakPolarHBondContact O-CG 3.41Å; L310-E314 PolarHBondContact O-N 3.01Å
311	L	79.4	Confident	66.3	Low	20 Å²	20	88 Å²	88	11%	0.105	45%	0.452	C	S	.	.	H	α-helix	trans	-61.8	-48.1	176.4	-69.1	170.9	0	0	0	111.1	V276 T280 L281 A284 I307 R308 R313 E314 L315	V276-L311 HydrophobicContact CG1-CD1 4.22Å; V276-L311 HydrophobicContact CG1-CD2 3.84Å; V276-L311 HydrophobicContact CG2-CD1 4.2Å; T280-L311 HydrophobicContact CG2-CD2 3.8Å; L281-L311 HydrophobicContact CD1-CD1 4.07Å; A284-L311 HydrophobicContact CB-CD2 3.75Å; A284-L311 HydrophobicContact CB-CG 3.94Å; I307-L311 HydrophobicContact CG2-CD1 4Å; I307-L311 HydrophobicContact CG2-CG 4.39Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 VanDerWaalsContact O-CG 3.28Å; I307-L311 WeakPolarHBondContact O-CG 3.05Å; I307-L311 PolarHBondContact O-N 3.33Å; R308-L311 PolarHBondContact O-N 3.38Å; L311-R313 VanDerWaalsContact C-N 3.27Å; L311-R313 PolarHBondContact O-N 2.94Å; L311-E314 PolarHBondContact O-N 2.99Å; L311-L315 VanDerWaalsContact O-CG 3.24Å; L311-L315 WeakPolarHBondContact O-CG 3.06Å; L311-L315 PolarHBondContact O-N 3.43Å
312	C	74.4	Confident	65.5	Low	52 Å²	52	84.2 Å²	84.2	35%	0.351	44%	0.435	S	S	.	.	H	α-helix	trans	-58.9	-37.1	174.9	-73.2	0	0	0	0	112.6	R308 L309 L315 K316	R308-C312 WeakPolarHBondContact O-CB 3.36Å; R308-C312 PolarHBondContact O-N 3.02Å; R308-C312 PolarHBondContact O-SG 2.87Å; L309-C312 PolarHBondContact O-N 3.43Å; C312-L315 PolarHBondContact O-N 3.38Å; C312-K316 WeakPolarHBondContact O-CG 3.28Å; C312-K316 PolarHBondContact O-N 2.96Å
313	R	73.5	Confident	63.8	Low	166 Å²	166	87.4 Å²	87.4	63%	0.626	45%	0.452	S	S	*	.	H	α-helix	trans	-71.3	-39.5	178.1	-167.8	-178	-147	162.6	7.6	112.4	L309 L310 L311 L315 K316 K317	L309-R313 VanDerWaalsContact O-CB 3.25Å; L309-R313 WeakPolarHBondContact O-CB 3.45Å; L309-R313 PolarHBondContact O-N 3.45Å; L310-R313 PolarHBondContact O-N 2.9Å; L311-R313 VanDerWaalsContact C-N 3.27Å; L311-R313 PolarHBondContact O-N 2.94Å; R313-L315 VanDerWaalsContact C-N 3.31Å; R313-K316 WeakPolarHBondContact O-CB 3.4Å; R313-K316 PolarHBondContact O-N 3.32Å; R313-K317 WeakPolarHBondContact O-CG 3.34Å; R313-K317 PolarHBondContact O-N 3.29Å; R313-K317 VanDerWaalsContact O-N 3.12Å
314	E	66.1	Low	62	Low	57 Å²	57	84.7 Å²	84.7	27%	0.266	44%	0.441	S	S	.	.	H	α-helix	trans	-65.6	-37.4	174.1	-71.2	-62.5	105.1	0	0	111.2	R287 L310 L311 K316 K317	R287-E314 IonicContact CZ-OE1 2.81Å; R287-E314 IonicContact CZ-OE2 3.18Å; R287-E314 IonicContact NH1-OE1 2.66Å; R287-E314 PolarHBondContact NH1-OE1 3.07Å; R287-E314 IonicContact NH1-OE2 3.63Å; R287-E314 PolarHBondContact NH1-OE2 3.26Å; R287-E314 VanDerWaalsContact NH1-OE2 3.15Å; R287-E314 IonicContact NH2-OE1 2.56Å; R287-E314 IonicContact NH2-OE2 2.8Å; R287-E314 PolarHBondContact NH2-OE2 3.03Å; L310-E314 WeakPolarHBondContact O-CG 3.41Å; L310-E314 PolarHBondContact O-N 3.01Å; L311-E314 PolarHBondContact O-N 2.99Å; E314-K316 VanDerWaalsContact C-N 3.34Å; E314-K316 PolarHBondContact O-N 3.29Å; E314-K317 PolarHBondContact O-N 3.23Å; E314-K317 WeakPolarHBondContact OE1-CD 3.32Å; E314-K317 IonicContact OE1-NZ 3.87Å; E314-K317 PolarHBondContact OE1-NZ 3.2Å
315	L	63.9	Low	60.1	Low	53 Å²	53	86 Å²	86	28%	0.277	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-39.4	171.3	-66.6	169.7	0	0	0	111.7	M274 L311 C312 R313 K317 G318 T320	M274-L315 HydrophobicContact CE-CD1 3.37Å; L311-L315 VanDerWaalsContact O-CG 3.24Å; L311-L315 WeakPolarHBondContact O-CG 3.06Å; L311-L315 PolarHBondContact O-N 3.43Å; C312-L315 PolarHBondContact O-N 3.38Å; R313-L315 VanDerWaalsContact C-N 3.31Å; L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 3.47Å; L315-G318 PolarHBondContact O-N 2.99Å; L315-T320 HydrophobicContact CD2-CG2 4.36Å; L315-T320 VanDerWaalsContact CD2-OG1 3.28Å; L315-T320 WeakPolarHBondContact CD2-OG1 3.43Å
316	K	54.4	Low	58.7	Low	153 Å²	153	89.6 Å²	89.6	67%	0.665	46%	0.463	S	S	*	.	H	α-helix	trans	-62.7	-29.7	173.4	-77	-180	179.5	-175	0	113.8	C312 R313 E314 G318	C312-K316 WeakPolarHBondContact O-CG 3.28Å; C312-K316 PolarHBondContact O-N 2.96Å; R313-K316 WeakPolarHBondContact O-CB 3.4Å; R313-K316 PolarHBondContact O-N 3.32Å; E314-K316 VanDerWaalsContact C-N 3.34Å; E314-K316 PolarHBondContact O-N 3.29Å; K316-G318 PolarHBondContact O-N 2.86Å
317	K	62.1	Low	57	Low	125 Å²	125	90.4 Å²	90.4	54%	0.543	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	2.6	-179.8	-72.2	177.4	-171	164.5	0	113.7	R313 E314 L315 K319	R313-K317 WeakPolarHBondContact O-CG 3.34Å; R313-K317 PolarHBondContact O-N 3.29Å; R313-K317 VanDerWaalsContact O-N 3.12Å; E314-K317 PolarHBondContact O-N 3.23Å; E314-K317 WeakPolarHBondContact OE1-CD 3.32Å; E314-K317 IonicContact OE1-NZ 3.87Å; E314-K317 PolarHBondContact OE1-NZ 3.2Å; L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 3.47Å; K317-K319 PolarHBondContact O-N 2.86Å
318	G	49.3	Very low	55.1	Low	62 Å²	62	94.4 Å²	94.4	64%	0.639	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	22.1	166.1	0	0	0	0	0	115.3	L315 K316	L315-G318 PolarHBondContact O-N 2.99Å; K316-G318 PolarHBondContact O-N 2.86Å
319	K	41.7	Very low	53.3	Low	197 Å²	197	97 Å²	97	86%	0.857	51%	0.509	S	S	*	.			trans	-94.7	15.1	174.6	-76	-172.1	177.1	-179.2	0	114.5	K317	K317-K319 PolarHBondContact O-N 2.86Å
320	T	43.7	Very low	51.5	Low	70 Å²	70	97.8 Å²	97.8	43%	0.429	51%	0.511	S	S	.	.	S	Bend	trans	-138.3	133.1	177.8	54.2	0	0	0	0	110.7	L315 V322	L315-T320 HydrophobicContact CD2-CG2 4.36Å; L315-T320 VanDerWaalsContact CD2-OG1 3.28Å; L315-T320 WeakPolarHBondContact CD2-OG1 3.43Å; T320-V322 VanDerWaalsContact C-N 3.29Å; T320-V322 PolarHBondContact O-N 3.09Å
321	S	40.1	Very low	49.4	Very low	129 Å²	129	101 Å²	101	90%	0.902	53%	0.527	S	S	*	.			trans	-75.9	69.1	-178.3	62.3	0	0	0	0	112.1
322	V	35.1	Very low	47.3	Very low	100 Å²	100	106.9 Å²	106.9	61%	0.606	56%	0.559	S	S	*	*			trans	-140	119.8	170.1	-165.7	0	0	0	0	109.7	T320 L324	T320-V322 VanDerWaalsContact C-N 3.29Å; T320-V322 PolarHBondContact O-N 3.09Å; V322-L324 HydrophobicContact CG1-CD2 4.42Å; V322-L324 HydrophobicContact CG1-CG 4.32Å
323	N	36.3	Very low	45.3	Very low	142 Å²	142	107.9 Å²	107.9	76%	0.759	58%	0.578	S	S	*	*			trans	-83.1	115.1	178.8	-170.5	-29.3	0	0	0	109.6	S325	N323-S325 PolarHBondContact OD1-N 2.92Å
324	L	38.2	Very low	43.3	Very low	54 Å²	54	105.4 Å²	105.4	28%	0.283	58%	0.581	S	S	.	*			trans	-119.4	43.4	-177	-68.9	168.4	0	0	0	112	V322 W326 I327	V322-L324 HydrophobicContact CG1-CD2 4.42Å; V322-L324 HydrophobicContact CG1-CG 4.32Å; L324-W326 PolarHBondContact O-N 3.47Å; L324-I327 HydrophobicContact CB-CB 4.4Å; L324-I327 HydrophobicContact CB-CD1 4.33Å; L324-I327 HydrophobicContact CB-CG1 4.46Å; L324-I327 HydrophobicContact CD1-CD1 4.16Å; L324-I327 HydrophobicContact CD2-CD1 3.86Å; L324-I327 HydrophobicContact CD2-CG1 4.49Å; L324-I327 HydrophobicContact CG-CD1 4.34Å; L324-I327 PolarHBondContact O-N 3.37Å
325	S	34.9	Very low	41.6	Very low	86 Å²	86	105.5 Å²	105.5	60%	0.601	60%	0.597	S	S	*	*	H	α-helix	trans	-53.2	-26.8	-179.8	67.9	0	0	0	0	114.1	N323	N323-S325 PolarHBondContact OD1-N 2.92Å
326	W	44.6	Very low	39.6	Very low	143 Å²	143	110.8 Å²	110.8	54%	0.542	63%	0.625	S	S	.	*	H	α-helix	trans	-78.5	-21.7	179.3	77.9	-90.7	0	0	0	114.5	L324	L324-W326 PolarHBondContact O-N 3.47Å
327	I	41.2	Very low	38.5	Very low	60 Å²	60	111.3 Å²	111.3	31%	0.308	63%	0.634	S	S	.	*	H	α-helix	trans	-79.5	-27.6	175.3	-64.9	-176.9	0	0	0	110.8	L324 D329 Q330 L331	L324-I327 HydrophobicContact CB-CB 4.4Å; L324-I327 HydrophobicContact CB-CD1 4.33Å; L324-I327 HydrophobicContact CB-CG1 4.46Å; L324-I327 HydrophobicContact CD1-CD1 4.16Å; L324-I327 HydrophobicContact CD2-CD1 3.86Å; L324-I327 HydrophobicContact CD2-CG1 4.49Å; L324-I327 HydrophobicContact CG-CD1 4.34Å; L324-I327 PolarHBondContact O-N 3.37Å; I327-D329 VanDerWaalsContact C-N 3.28Å; I327-D329 PolarHBondContact O-N 3.36Å; I327-Q330 PolarHBondContact O-N 3.31Å; I327-L331 HydrophobicContact CG2-CD1 4.28Å
328	L	41	Very low	36.7	Very low	110 Å²	110	113.1 Å²	113.1	58%	0.576	64%	0.644	S	S	*	*	H	α-helix	trans	-64	-32.6	176.4	-93.7	89	0	0	0	112.7	Q330 L331 N332	L328-Q330 PolarHBondContact O-N 3.37Å; L328-L331 PolarHBondContact O-N 3.17Å; L328-L331 VanDerWaalsContact O-N 3.15Å; L328-N332 PolarHBondContact O-N 2.87Å
329	D	39.2	Very low	35.6	Very low	140 Å²	140	115.1 Å²	115.1	75%	0.749	66%	0.655	S	S	*	*	H	α-helix	trans	-67.6	-22.4	-178.5	-147.8	44.1	0	0	0	112.6	I327	I327-D329 VanDerWaalsContact C-N 3.28Å; I327-D329 PolarHBondContact O-N 3.36Å
330	Q	40	Very low	34.8	Very low	122 Å²	122	110.1 Å²	110.1	57%	0.57	65%	0.645	S	S	*	*	H	α-helix	trans	-87.5	-16.8	175.9	-69.1	-79.3	-82.1	0	0	113.5	I327 L328	I327-Q330 PolarHBondContact O-N 3.31Å; L328-Q330 PolarHBondContact O-N 3.37Å
331	L	37.7	Very low	34	Very low	79 Å²	79	111.3 Å²	111.3	41%	0.414	66%	0.656	S	S	.	*	H	α-helix	trans	-102.3	-16.9	-173.6	-75.2	171.6	0	0	0	114.5	I327 L328 G333 V334	I327-L331 HydrophobicContact CG2-CD1 4.28Å; L328-L331 PolarHBondContact O-N 3.17Å; L328-L331 VanDerWaalsContact O-N 3.15Å; L331-G333 PolarHBondContact O-N 2.8Å; L331-G333 VanDerWaalsContact O-N 3.1Å; L331-V334 PolarHBondContact O-N 2.81Å
332	N	35.5	Very low	33.3	Very low	145 Å²	145	111.2 Å²	111.2	78%	0.775	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	2.5	171.8	-79.1	-4.9	0	0	0	113.7	L328	L328-N332 PolarHBondContact O-N 2.87Å
333	G	32.1	Very low	32.8	Very low	72 Å²	72	111.7 Å²	111.7	74%	0.742	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-1.6	170.4	0	0	0	0	0	114.9	L331	L331-G333 PolarHBondContact O-N 2.8Å; L331-G333 VanDerWaalsContact O-N 3.1Å
334	V	33.2	Very low	32.2	Very low	115 Å²	115	112.6 Å²	112.6	70%	0.697	66%	0.662	S	S	*	*	S	Bend	trans	-102.3	101.4	177.2	-170.1	0	0	0	0	107.9	L331	L331-V334 PolarHBondContact O-N 2.81Å
335	G	29	Very low	31.5	Very low	58 Å²	58	118.3 Å²	118.3	60%	0.598	69%	0.692	S	S	*	*			trans	-50.7	147.9	-173.3	0	0	0	0	0	114.1	I337	G335-I337 PolarHBondContact O-N 3.4Å
336	D	23.1	Very low	31.1	Very low	164 Å²	164	120.3 Å²	120.3	88%	0.877	70%	0.7	S	S	*	*			trans	-47.3	96.3	170.8	-60.5	-59.5	0	0	0	110.8	E338	D336-E338 PolarHBondContact O-N 2.94Å
337	I	30.9	Very low	30.1	Very low	164 Å²	164	119.3 Å²	119.3	84%	0.841	72%	0.715	S	S	*	*			trans	-83.3	100.7	152.4	-61.8	177	0	0	0	103.8	G335 A339	G335-I337 PolarHBondContact O-N 3.4Å; I337-A339 PolarHBondContact O-N 3.01Å; I337-A339 VanDerWaalsContact O-N 3.16Å
338	E	24.2	Very low	29.2	Very low	163 Å²	163	121.5 Å²	121.5	76%	0.762	73%	0.731	S	S	*	*			trans	-36.3	121.3	174	-69.5	177.4	149.8	0	0	109.8	D336 S340	D336-E338 PolarHBondContact O-N 2.94Å; E338-S340 PolarHBondContact O-N 3.43Å
339	A	25.1	Very low	28.2	Very low	105 Å²	105	124.8 Å²	124.8	87%	0.868	74%	0.741	S	S	*	*			trans	-64.6	74.9	159.9	0	0	0	0	0	107.3	I337 S341	I337-A339 PolarHBondContact O-N 3.01Å; I337-A339 VanDerWaalsContact O-N 3.16Å; A339-S341 PolarHBondContact O-N 3.49Å
340	S	26.7	Very low	27.4	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	75%	0.75	S	S	*	*			trans	-67.6	93.7	167	67.7	0	0	0	0	106.4	E338 C342	E338-S340 PolarHBondContact O-N 3.43Å; S340-C342 PolarHBondContact O-N 3.46Å
341	S	25.5	Very low	26.3	Very low	95 Å²	95	133.2 Å²	133.2	66%	0.664	77%	0.765	S	S	*	*			trans	0.6	94.5	148.6	175.6	0	0	0	0	113.4	A339 T343	A339-S341 PolarHBondContact O-N 3.49Å; S341-T343 PolarHBondContact OG-OG1 2.82Å
342	C	25.4	Very low	25.5	Very low	127 Å²	127	135 Å²	135	86%	0.858	78%	0.784	S	S	*	*			trans	-111.5	58.4	157.8	-73.2	0	0	0	0	107.9	S340	S340-C342 PolarHBondContact O-N 3.46Å
343	T	25.4	Very low	24.7	Very low	110 Å²	110	133.3 Å²	133.3	68%	0.675	78%	0.784	S	S	*	*			trans	-90.8	84.9	150.7	45.1	0	0	0	0	105.9	S341	S341-T343 PolarHBondContact OG-OG1 2.82Å
344	D	24.1	Very low	24.4	Very low	161 Å²	161	135.2 Å²	135.2	86%	0.861	78%	0.783	S	S	*	*			trans	-162.8	68.3	159.7	-90	-25.6	0	0	0	109.2
345	L	23.7	Very low	23.7	Very low	173 Å²	173	134.6 Å²	134.6	91%	0.906	78%	0.784	S	S	*	*			trans	-98.8	108.8	145.1	-71.3	174.5	0	0	0	105.6
346	V	25.9	Very low	23.3	Very low	129 Å²	129	140.2 Å²	140.2	78%	0.782	79%	0.792	S	S	*	*			trans	164.9	94.9	138.6	168.1	0	0	0	0	106.1
347	S	24.2	Very low	23.2	Very low	122 Å²	122	138.3 Å²	138.3	85%	0.853	78%	0.782	S	S	*	*			trans	-162.1	103.9	139.4	-86.2	0	0	0	0	109.5
348	T	21.2	Very low	22.9	Very low	105 Å²	105	140.2 Å²	140.2	64%	0.644	78%	0.784	S	S	*	*			trans	-59.4	147.2	170.1	-36.5	0	0	0	0	111.8
349	F	20.1	Very low	22.7	Very low	180 Å²	180	139.8 Å²	139.8	79%	0.789	79%	0.787	S	S	*	*			trans	63.4	113.6	163.1	-61.3	-63.8	0	0	0	117.7
350	Y	22.5	Very low	22.9	Very low	237 Å²	237	144.7 Å²	144.7	93%	0.929	79%	0.789	S	S	*	*				-172.4	128.1	110.8	-102.3	-77.1	0	0	0	110.6
351	F	17.2	Very low	22.6	Very low	201 Å²	201	145.2 Å²	145.2	88%	0.882	79%	0.792	S	S	*	*			trans	-64.2	137.3	165	-109.1	-99.8	0	0	0	110.7
352	S	19.8	Very low	22.8	Very low	118 Å²	118	146.1 Å²	146.1	83%	0.825	80%	0.795	S	S	*	*				172.1	120.5	129	-79.6	0	0	0	0	112.5
353	S	18.9	Very low	22.6	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	79%	0.792	S	S	*	*			trans	-57.9	163.2	145.1	-51.4	0	0	0	0	109.9
354	P	25.7	Very low	22.4	Very low	111 Å²	111	144.8 Å²	144.8	72%	0.721	79%	0.791	S	S	*	*			cis	-151.1	-172.4	32.7	39.5	-16.8	0	0	0	117.1
355	S	20.3	Very low	22.2	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	79%	0.791	S	S	*	*			trans	79.4	148.5	145.3	75.7	0	0	0	0	117.5
356	K	19.9	Very low	22.3	Very low	176 Å²	176	141.3 Å²	141.3	77%	0.765	79%	0.787	S	S	*	*			cis	-176.7	156.9	-9.1	-117.6	-175.7	175.4	-173.6	0	105.5
357	D	20.9	Very low	21.9	Very low	124 Å²	124	142.5 Å²	142.5	66%	0.663	79%	0.789	S	S	*	*			trans	63.3	117.4	150.4	-49.9	-26.1	0	0	0	119.6
358	K	24.9	Very low	22	Very low	203 Å²	203	142 Å²	142	88%	0.883	78%	0.783	S	S	*	*				-177.2	127.3	96	-96.9	-176.3	-179.2	179.1	0	113.5
359	D	20	Very low	21.9	Very low	154 Å²	154	141.2 Å²	141.2	82%	0.824	78%	0.782	S	S	*	*			trans	-57.2	146	165	-59.9	-66.3	0	0	0	113.8
360	K	28.3	Very low	22	Very low	209 Å²	209	140.7 Å²	140.7	91%	0.909	78%	0.782	S	S	*	*			trans	-161.4	104.6	136.8	-126.4	177.6	-179.6	-179.3	0	111.5
361	S	21.5	Very low	22	Very low	103 Å²	103	137 Å²	137	72%	0.72	77%	0.773	S	S	*	*			trans	-81.5	-176.4	148.4	53.2	0	0	0	0	108.8
362	P	28.9	Very low	22.1	Very low	113 Å²	113	133 Å²	133	73%	0.734	77%	0.766	S	S	*	*			cis	-136.2	-179.8	-3.7	39.7	-20.9	0	0	0	114.2
363	C	21.7	Very low	22.2	Very low	115 Å²	115	132.1 Å²	132.1	78%	0.777	76%	0.759	S	S	*	*			trans	158.9	98	140.1	-83.3	0	0	0	0	107.4
364	S	21.3	Very low	22.5	Very low	95 Å²	95	136.1 Å²	136.1	66%	0.664	76%	0.763	S	S	*	*				62.1	106.4	73.7	73.8	0	0	0	0	115.6
365	D	20.2	Very low	22.2	Very low	160 Å²	160	135.6 Å²	135.6	86%	0.856	77%	0.768	S	S	*	*			trans	59.8	112.1	135.6	-52.5	-32.7	0	0	0	120.8
366	A	24.1	Very low	22.3	Very low	100 Å²	100	134.8 Å²	134.8	83%	0.826	77%	0.768	S	S	*	*				-179.3	112.7	117.9	0	0	0	0	0	111.3
367	N	19.2	Very low	22.5	Very low	154 Å²	154	134 Å²	134	82%	0.824	77%	0.771	S	S	*	*			trans	-67.1	154.1	144.8	-117.9	-14.5	0	0	0	107.7
368	P	25.1	Very low	22.4	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	78%	0.775	S	S	*	*				-149.3	159.5	61.9	34.9	-12.5	0	0	0	117.6
369	S	20.4	Very low	22.3	Very low	87 Å²	87	131.1 Å²	131.1	61%	0.608	77%	0.773	S	S	*	*			trans	-1.1	145.7	147.2	52	0	0	0	0	122.4
370	E	21.4	Very low	22.4	Very low	169 Å²	169	126.9 Å²	126.9	79%	0.79	77%	0.766	S	S	*	*				110.1	128.2	129.8	-92.3	170	-172.8	0	0	120.7
371	E	21.6	Very low	22	Very low	159 Å²	159	123.7 Å²	123.7	74%	0.743	76%	0.763	S	S	*	*			trans	79.6	99.7	144.1	-73.3	-173	160.4	0	0	121.5
372	T	19.4	Very low	22.1	Very low	119 Å²	119	123.6 Å²	123.6	73%	0.73	76%	0.763	S	S	*	*				38.2	118.9	119.7	53.1	0	0	0	0	118.6
373	S	22.3	Very low	21.7	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	77%	0.769	S	S	*	*				158.2	152.3	100.8	55.6	0	0	0	0	113
374	K	25.5	Very low	21.7	Very low	193 Å²	193	123.8 Å²	123.8	84%	0.839	77%	0.767	S	S	*	*			trans	80.4	111.9	163.5	-53.6	176.7	-175	171.3	0	114.9
375	A	19.2	Very low	21.7	Very low	100 Å²	100	125.2 Å²	125.2	83%	0.826	78%	0.775	S	S	*	*				57.6	99.9	50.1	0	0	0	0	0	113.8
376	A	22.9	Very low	21.9	Very low	86 Å²	86	123 Å²	123	71%	0.711	77%	0.77	S	S	*	*			trans	162.9	125.4	135.3	0	0	0	0	0	112.2
377	L	22.8	Very low	21.9	Very low	159 Å²	159	123.7 Å²	123.7	83%	0.832	77%	0.766	S	S	*	*				54.5	112.3	129.6	-64.6	153.6	0	0	0	118.2
378	D	20.1	Very low	22	Very low	142 Å²	142	120.8 Å²	120.8	76%	0.759	76%	0.763	S	S	*	*				72.6	122.9	87.4	-172.3	38.7	0	0	0	114
379	C	22.9	Very low	22	Very low	125 Å²	125	121.7 Å²	121.7	85%	0.845	77%	0.769	S	S	*	*			trans	172.5	116.8	160.2	-86.6	0	0	0	0	105.8
380	G	21	Very low	22	Very low	64 Å²	64	125.8 Å²	125.8	66%	0.66	78%	0.783	S	S	*	*				91.9	88.5	70.5	0	0	0	0	0	109.1
381	V	20.7	Very low	22.1	Very low	142 Å²	142	123.3 Å²	123.3	86%	0.861	78%	0.784	S	S	*	*				60.9	141.2	98.2	-175	0	0	0	0	115
382	S	22.5	Very low	22.2	Very low	101 Å²	101	120.5 Å²	120.5	71%	0.706	78%	0.782	S	S	*	*			trans	93.8	141.7	173.5	73	0	0	0	0	113.9
383	D	21.7	Very low	22.5	Very low	162 Å²	162	121.3 Å²	121.3	87%	0.866	79%	0.787	S	S	*	*			cis	-175	157.7	-4.6	-113.8	-38.2	0	0	0	106.2
384	G	21.3	Very low	22.5	Very low	71 Å²	71	123 Å²	123	73%	0.732	79%	0.793	S	S	*	*			trans	91.7	101.3	144	0	0	0	0	0	119.5
385	C	21.7	Very low	22.5	Very low	124 Å²	124	119.3 Å²	119.3	84%	0.838	79%	0.789	S	S	*	*			trans	-72.7	147.3	157.9	-173	0	0	0	0	111.6
386	P	25.3	Very low	22.7	Very low	114 Å²	114	118.9 Å²	118.9	74%	0.74	79%	0.785	S	S	*	*			trans	-131.2	163.6	139.9	35.3	-22.1	0	0	0	113.7
387	P	23.7	Very low	22.7	Very low	115 Å²	115	119.8 Å²	119.8	75%	0.747	79%	0.793	S	S	*	*			trans	-108.9	164.4	-158.2	39.4	-30.4	0	0	0	115.8
388	A	21.2	Very low	22.9	Very low	93 Å²	93	119 Å²	119	77%	0.769	79%	0.79	S	S	*	*			trans	53.4	131.5	150.9	0	0	0	0	0	120.2
389	P	24.4	Very low	23.1	Very low	132 Å²	132	118 Å²	118	86%	0.857	79%	0.792	S	S	*	*				-139.7	158.5	102.2	34.3	-19.4	0	0	0	115.7
390	L	20.3	Very low	23.2	Very low	173 Å²	173	119.3 Å²	119.3	91%	0.906	79%	0.791	S	S	*	*			trans	-64.8	145.7	174.1	-61.4	149	0	0	0	112.2
391	S	23.9	Very low	23.5	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	79%	0.79	S	S	*	*				168.2	146.5	119	-169.9	0	0	0	0	112.1
392	S	22.8	Very low	23.7	Very low	100 Å²	100	120.6 Å²	120.6	70%	0.699	79%	0.792	S	S	*	*			trans	-51.4	145	-175.4	52.5	0	0	0	0	116.9
393	T	26.6	Very low	24	Very low	136 Å²	136	122.2 Å²	122.2	83%	0.834	80%	0.798	S	S	*	*				-169.5	133.5	113.3	-55.7	0	0	0	0	109.1
394	V	21.4	Very low	24.3	Very low	135 Å²	135	123.9 Å²	123.9	82%	0.818	80%	0.797	S	S	*	*			trans	-89.2	132.3	176.2	173	0	0	0	0	109
395	P	25.4	Very low	24.6	Very low	116 Å²	116	124 Å²	124	75%	0.753	80%	0.799	S	S	*	*				-142.2	142.5	114	32.7	-15.9	0	0	0	114.9
396	A	24.2	Very low	25	Very low	90 Å²	90	125.6 Å²	125.6	74%	0.744	80%	0.797	S	S	*	*			trans	52.2	87.4	146	0	0	0	0	0	119.9	N398	A396-N398 PolarHBondContact O-N 3.19Å
397	A	23.9	Very low	25.3	Very low	106 Å²	106	128.2 Å²	128.2	88%	0.876	80%	0.804	S	S	*	*			trans	25	89.1	131.4	0	0	0	0	0	118.6
398	N	25.2	Very low	25.5	Very low	142 Å²	142	131.3 Å²	131.3	76%	0.759	81%	0.811	S	S	*	*			trans	-119.1	103.3	149.6	-164.3	15.5	0	0	0	107.3	A396 N400	A396-N398 PolarHBondContact O-N 3.19Å; N398-N400 PolarHBondContact O-N 3.37Å
399	C	25.1	Very low	25.8	Very low	120 Å²	120	135.3 Å²	135.3	81%	0.811	82%	0.819	S	S	*	*			trans	-84.2	72.2	-167.7	33.6	0	0	0	0	112.2	G401	C399-G401 VanDerWaalsContact C-N 3.29Å; C399-G401 PolarHBondContact O-N 3.08Å
400	N	25	Very low	26	Very low	154 Å²	154	132 Å²	132	82%	0.824	81%	0.809	S	S	*	*			trans	-86.5	74.6	160.3	-78.8	-6.7	0	0	0	109.4	N398	N398-N400 PolarHBondContact O-N 3.37Å
401	G	26.3	Very low	26.4	Very low	62 Å²	62	129.6 Å²	129.6	64%	0.639	81%	0.807	S	S	*	*			trans	-96.3	97	176.9	0	0	0	0	0	111.4	C399 V403	C399-G401 VanDerWaalsContact C-N 3.29Å; C399-G401 PolarHBondContact O-N 3.08Å; G401-V403 PolarHBondContact O-N 3.43Å
402	N	25.5	Very low	26.9	Very low	170 Å²	170	134.5 Å²	134.5	91%	0.909	81%	0.814	S	S	*	*			trans	-52.6	102.8	165.3	-94.9	-6.5	0	0	0	110.5	K404	N402-K404 PolarHBondContact O-N 2.84Å
403	V	28.6	Very low	27.6	Very low	136 Å²	136	135 Å²	135	82%	0.824	82%	0.817	S	S	*	*			trans	-79.7	112.7	165.9	-178.7	0	0	0	0	107.2	G401 G405	G401-V403 PolarHBondContact O-N 3.43Å; V403-G405 VanDerWaalsContact C-N 3.34Å; V403-G405 PolarHBondContact O-N 3.2Å
404	K	27.9	Very low	28.1	Very low	197 Å²	197	132.1 Å²	132.1	86%	0.857	81%	0.814	S	S	*	*			trans	-58.3	96	168.4	-83.4	177.4	172.8	175.7	0	109	N402 I406	N402-K404 PolarHBondContact O-N 2.84Å; K404-I406 PolarHBondContact O-N 3.41Å; K404-I406 VanDerWaalsContact O-N 3.1Å
405	G	28.1	Very low	29.2	Very low	74 Å²	74	135.9 Å²	135.9	76%	0.763	81%	0.813	S	S	*	*			trans	-64.7	103.4	162.6	0	0	0	0	0	109	V403 L407	V403-G405 VanDerWaalsContact C-N 3.34Å; V403-G405 PolarHBondContact O-N 3.2Å; G405-L407 PolarHBondContact O-N 3.01Å
406	I	30.7	Very low	30.5	Very low	157 Å²	157	134.7 Å²	134.7	81%	0.805	81%	0.808	S	S	*	*			trans	-64.3	116.1	160.6	-62.9	164.7	0	0	0	105.3	K404	K404-I406 PolarHBondContact O-N 3.41Å; K404-I406 VanDerWaalsContact O-N 3.1Å
407	L	30.7	Very low	31.8	Very low	168 Å²	168	138.5 Å²	138.5	88%	0.88	82%	0.816	S	S	*	*			trans	179.2	142.9	143.5	-91.4	159.2	0	0	0	110.5	G405	G405-L407 PolarHBondContact O-N 3.01Å
408	M	27.6	Very low	33.4	Very low	181 Å²	181	138.6 Å²	138.6	89%	0.892	81%	0.805	S	S	*	*			trans	-63.7	137.2	-158.6	-69.7	-110	-154.4	0	0	115.2	G410	M408-G410 PolarHBondContact O-N 2.99Å; M408-G410 VanDerWaalsContact O-N 3.08Å
409	N	27.6	Very low	34.7	Very low	176 Å²	176	141.3 Å²	141.3	94%	0.941	81%	0.81	S	S	*	*			trans	-59.4	103.6	155	-85.7	0.2	0	0	0	109.3
410	G	29.6	Very low	36.2	Very low	63 Å²	63	141.2 Å²	141.2	65%	0.649	80%	0.796	S	S	*	*			trans	-141.3	93.5	176.9	0	0	0	0	0	111.2	M408	M408-G410 PolarHBondContact O-N 2.99Å; M408-G410 VanDerWaalsContact O-N 3.08Å
411	S	29.4	Very low	38.1	Very low	122 Å²	122	138.8 Å²	138.8	85%	0.853	79%	0.791	S	S	*	*			trans	70.3	106.4	153.4	-54.2	0	0	0	0	118.6	S413	S411-S413 PolarHBondContact O-N 3.44Å
412	K	34.4	Very low	40.5	Very low	220 Å²	220	139.3 Å²	139.3	96%	0.957	78%	0.782	S	S	*	*			trans	-45.7	94.6	156.9	-59.9	172.2	-180	174.9	0	110.6
413	S	37.4	Very low	43	Very low	111 Å²	111	142 Å²	142	78%	0.776	78%	0.78	S	S	*	*			trans	-91.3	117.2	156.3	-173.4	0	0	0	0	106.7	S411 R415	S411-S413 PolarHBondContact O-N 3.44Å; S413-R415 PolarHBondContact O-N 2.87Å
414	G	36.6	Very low	45.5	Very low	74 Å²	74	141.4 Å²	141.4	76%	0.763	77%	0.766	S	S	*	*			trans	-57.3	103.4	178.9	0	0	0	0	0	109.9	S416	G414-S416 VanDerWaalsContact C-N 3.33Å; G414-S416 PolarHBondContact O-N 2.96Å
415	R	43.3	Very low	48.3	Very low	214 Å²	214	136.7 Å²	136.7	81%	0.808	75%	0.75	S	S	*	*			trans	-72.8	94.3	170.5	-139.4	175.5	-172.4	176.1	-1.2	105.4	S413 D417	S413-R415 PolarHBondContact O-N 2.87Å; R415-D417 PolarHBondContact O-N 3.2Å
416	S	53	Low	51.2	Low	92 Å²	92	135.4 Å²	135.4	64%	0.643	73%	0.728	S	S	*	*			trans	-55.9	128.4	170.2	52.7	0	0	0	0	108	G414 V418	G414-S416 VanDerWaalsContact C-N 3.33Å; G414-S416 PolarHBondContact O-N 2.96Å; S416-V418 PolarHBondContact O-N 3.43Å
417	D	52.8	Low	54	Low	170 Å²	170	129.3 Å²	129.3	91%	0.909	70%	0.697	S	S	*	*			trans	-58.3	84.7	167	-86.2	-40.2	0	0	0	108.8	R415 K419	R415-D417 PolarHBondContact O-N 3.2Å; D417-K419 VanDerWaalsContact C-N 3.3Å; D417-K419 PolarHBondContact O-N 3Å
418	V	55.7	Low	56.9	Low	107 Å²	107	123.1 Å²	123.1	65%	0.648	67%	0.67	S	S	*	*			trans	-70.5	96.8	169.4	-177.4	0	0	0	0	105.4	S416 K420	S416-V418 PolarHBondContact O-N 3.43Å; V418-K420 VanDerWaalsContact C-N 3.35Å; V418-K420 WeakPolarHBondContact O-CG 3.42Å; V418-K420 PolarHBondContact O-N 3.12Å
419	K	53.8	Low	59.9	Low	200 Å²	200	117.1 Å²	117.1	87%	0.87	64%	0.642	S	S	*	*			trans	-57.9	100.9	169.6	-158.3	175.3	-174.2	-178.7	0	106.8	D417 S421	D417-K419 VanDerWaalsContact C-N 3.3Å; D417-K419 PolarHBondContact O-N 3Å; K419-S421 PolarHBondContact O-N 3.17Å
420	K	56.8	Low	63.1	Low	117 Å²	117	108.8 Å²	108.8	51%	0.509	60%	0.597	S	S	.	*			trans	-67.1	95.8	-171.4	-61.8	-173.5	-178.4	-166.6	0	109.1	D272 V418	D272-K420 IonicContact OD2-NZ 3.23Å; V418-K420 VanDerWaalsContact C-N 3.35Å; V418-K420 WeakPolarHBondContact O-CG 3.42Å; V418-K420 PolarHBondContact O-N 3.12Å
421	S	63.6	Low	66.1	Low	103 Å²	103	106.4 Å²	106.4	72%	0.72	57%	0.569	S	S	*	*			trans	-80.4	118.4	175.7	179.3	0	0	0	0	109.6	K419	K419-S421 PolarHBondContact O-N 3.17Å
422	V	76.6	Confident	69.1	Low	74 Å²	74	103.6 Å²	103.6	45%	0.448	55%	0.545	S	S	.	.			trans	-79.8	121.3	171.3	-179.4	0	0	0	0	108.1	T304 F424	T304-V422 HydrophobicContact CG2-CB 4.36Å; T304-V422 HydrophobicContact CG2-CG2 3.92Å; V422-F424 HydrophobicContact CG1-CE1 4.33Å; V422-F424 HydrophobicContact CG1-CE2 4.13Å; V422-F424 HydrophobicContact CG1-CZ 3.94Å
423	R	78.1	Confident	72	Confident	227 Å²	227	93.3 Å²	93.3	86%	0.857	50%	0.5	S	S	*	.			trans	-106.9	127.3	173.3	-71.9	-112.9	-115.8	122	-1.3	108.8
424	F	81.9	Confident	74.7	Confident	123 Å²	123	88 Å²	88	54%	0.539	46%	0.463	S	S	.	.			trans	-88.5	150.7	171.3	-63.6	-78.8	0	0	0	109.8	L281 V422 P426	L281-F424 HydrophobicContact CD2-CE1 4.01Å; V422-F424 HydrophobicContact CG1-CE1 4.33Å; V422-F424 HydrophobicContact CG1-CE2 4.13Å; V422-F424 HydrophobicContact CG1-CZ 3.94Å; F424-P426 WeakPolarHBondContact O-CD 3.3Å
425	D	87.2	Confident	77.5	Confident	97 Å²	97	87.6 Å²	87.6	52%	0.519	44%	0.443	S	S	.	.			trans	-66.7	121.2	169.2	176.9	11.8	0	0	0	108.8	L427 A428 L429	D425-L427 PolarHBondContact O-N 3.27Å; D425-L427 PolarHBondContact OD1-N 3.05Å; D425-A428 HydrophobicContact CB-CB 4.07Å; D425-A428 PolarHBondContact O-N 3.4Å; D425-L429 WeakPolarHBondContact O-CB 3.36Å; D425-L429 PolarHBondContact O-N 3.22Å
426	P	88.7	Confident	79.8	Confident	47 Å²	47	82.7 Å²	82.7	31%	0.305	43%	0.43	S	S	.	.	H	α-helix	trans	-59.9	-29.5	-179	24.4	-35.6	0	0	0	113.2	F424 L430 E448 V449	F424-P426 WeakPolarHBondContact O-CD 3.3Å; P426-L430 VanDerWaalsContact O-CB 3.3Å; P426-L430 WeakPolarHBondContact O-CB 3.48Å; P426-L430 PolarHBondContact O-N 3.34Å; P426-E448 HydrophobicContact CB-CB 3.81Å; P426-E448 HydrophobicContact CG-CB 4.45Å; P426-V449 HydrophobicContact CB-CG2 3.97Å; P426-V449 HydrophobicContact CG-CG2 4.46Å
427	L	89.7	Confident	81.8	Confident	29 Å²	29	79.5 Å²	79.5	15%	0.152	41%	0.411	C	S	.	.	H	α-helix	trans	-69.8	-50.7	176.8	177.2	62.6	0	0	0	111.3	D425 L429 L430 L431 V454	D425-L427 PolarHBondContact O-N 3.27Å; D425-L427 PolarHBondContact OD1-N 3.05Å; L427-L429 PolarHBondContact O-N 3.12Å; L427-L430 WeakPolarHBondContact O-CB 3.32Å; L427-L430 PolarHBondContact O-N 2.91Å; L427-L430 VanDerWaalsContact O-N 3.13Å; L427-L431 HydrophobicContact CD1-CD1 4.32Å; L427-L431 HydrophobicContact CD1-CG 4.35Å; L427-L431 HydrophobicContact CG-CD1 4.16Å; L427-L431 WeakPolarHBondContact O-CG 3.5Å; L427-L431 PolarHBondContact O-N 3.02Å; L427-V454 HydrophobicContact CD1-CB 4Å; L427-V454 HydrophobicContact CD1-CG1 3.82Å; L427-V454 HydrophobicContact CD2-CG1 3.61Å; L427-V454 HydrophobicContact CG-CG1 4.35Å
428	A	90.7	Very high	83.8	Confident	38 Å²	38	75.7 Å²	75.7	31%	0.314	39%	0.388	S	S	.	.	H	α-helix	trans	-57.3	-41.6	175.8	0	0	0	0	0	111.3	D425 L431 D432	D425-A428 HydrophobicContact CB-CB 4.07Å; D425-A428 PolarHBondContact O-N 3.4Å; A428-L431 PolarHBondContact O-N 3.43Å; A428-D432 WeakPolarHBondContact O-CB 3.48Å; A428-D432 PolarHBondContact O-N 3.35Å
429	L	91.8	Very high	85.7	Confident	56 Å²	56	72.8 Å²	72.8	29%	0.293	37%	0.368	S	S	.	.	H	α-helix	trans	-65.3	-39.2	177.2	-168.4	62.3	0	0	0	112.3	D425 L427 A433 L441 C445	D425-L429 WeakPolarHBondContact O-CB 3.36Å; D425-L429 PolarHBondContact O-N 3.22Å; L427-L429 PolarHBondContact O-N 3.12Å; L429-A433 WeakPolarHBondContact O-CB 3.31Å; L429-A433 PolarHBondContact O-N 3.48Å; L429-L441 HydrophobicContact CD1-CD2 3.96Å; L429-L441 HydrophobicContact CD2-CD1 4.12Å; L429-L441 HydrophobicContact CG-CD1 4.34Å; L429-L441 HydrophobicContact CG-CD2 4.22Å; L429-L441 HydrophobicContact CG-CG 4.42Å; L429-C445 VanDerWaalsContact CD2-SG 3.52Å; L429-C445 VanDerWaalsContact CG-SG 3.55Å
430	L	93.3	Very high	87.6	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-44.8	175.2	178.1	62.6	0	0	0	111.6	P426 L427 A433 A434 V442 C445 V449 A462	P426-L430 VanDerWaalsContact O-CB 3.3Å; P426-L430 WeakPolarHBondContact O-CB 3.48Å; P426-L430 PolarHBondContact O-N 3.34Å; L427-L430 WeakPolarHBondContact O-CB 3.32Å; L427-L430 PolarHBondContact O-N 2.91Å; L427-L430 VanDerWaalsContact O-N 3.13Å; L430-A433 PolarHBondContact O-N 3.49Å; L430-A434 VanDerWaalsContact O-CB 3.28Å; L430-A434 WeakPolarHBondContact O-CB 3.41Å; L430-A434 PolarHBondContact O-N 3.02Å; L430-V442 HydrophobicContact CD1-CB 4.37Å; L430-V442 HydrophobicContact CD1-CG1 3.84Å; L430-C445 HydrophobicContact CB-CB 3.83Å; L430-C445 HydrophobicContact CD1-CB 4.07Å; L430-V449 HydrophobicContact CD2-CG2 4.24Å; L430-A462 HydrophobicContact CD1-CB 4.43Å; L430-A462 HydrophobicContact CD2-CB 4.15Å; L430-A462 HydrophobicContact CG-CB 3.85Å
431	L	92.7	Very high	89.3	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-44.8	179	-68.8	169.3	0	0	0	111.9	L427 A428 L435 Y456 A462 N465	L427-L431 HydrophobicContact CD1-CD1 4.32Å; L427-L431 HydrophobicContact CD1-CG 4.35Å; L427-L431 HydrophobicContact CG-CD1 4.16Å; L427-L431 WeakPolarHBondContact O-CG 3.5Å; L427-L431 PolarHBondContact O-N 3.02Å; A428-L431 PolarHBondContact O-N 3.43Å; L431-L435 PolarHBondContact O-N 3.26Å; L431-Y456 HydrophobicContact CD1-CD2 4.3Å; L431-Y456 HydrophobicContact CD1-CG 4.33Å; L431-A462 HydrophobicContact CD2-CB 4.24Å; L431-A462 VanDerWaalsContact CD2-N 3.35Å; L431-N465 PolarHBondContact O-ND2 3.49Å
432	D	92.9	Very high	90.8	Very high	64 Å²	64	59.9 Å²	59.9	34%	0.342	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-46.1	175.7	-81.7	-19.2	0	0	0	110.9	R282 A428 A434 L435 E436	R282-D432 IonicContact NH2-OD1 3.74Å; A428-D432 WeakPolarHBondContact O-CB 3.48Å; A428-D432 PolarHBondContact O-N 3.35Å; D432-A434 VanDerWaalsContact C-N 3.29Å; D432-A434 PolarHBondContact O-N 3.39Å; D432-L435 PolarHBondContact O-N 3.31Å; D432-E436 WeakPolarHBondContact O-CG 3.29Å; D432-E436 PolarHBondContact O-N 3.1Å
433	A	94.8	Very high	91.6	Very high	3 Å²	3	60.2 Å²	60.2	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-36.3	179.5	0	0	0	0	0	112.7	L429 L430 G437 E438 L441 V442	L429-A433 WeakPolarHBondContact O-CB 3.31Å; L429-A433 PolarHBondContact O-N 3.48Å; L430-A433 PolarHBondContact O-N 3.49Å; A433-G437 PolarHBondContact O-N 3.45Å; A433-E438 HydrophobicContact CB-CB 4.44Å; A433-E438 PolarHBondContact O-N 2.82Å; A433-L441 HydrophobicContact CB-CB 4.02Å; A433-L441 HydrophobicContact CB-CD2 3.73Å; A433-L441 HydrophobicContact CB-CG 3.78Å; A433-V442 HydrophobicContact CB-CG2 3.73Å
434	A	95.2	Very high	92.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.5	-39.1	177.3	0	0	0	0	0	112.4	L430 D432 V442 A462 N465 A466 N471 V474	L430-A434 VanDerWaalsContact O-CB 3.28Å; L430-A434 WeakPolarHBondContact O-CB 3.41Å; L430-A434 PolarHBondContact O-N 3.02Å; D432-A434 VanDerWaalsContact C-N 3.29Å; D432-A434 PolarHBondContact O-N 3.39Å; A434-V442 HydrophobicContact CB-CG2 4.38Å; A434-A462 HydrophobicContact CB-CB 4.02Å; A434-A462 WeakPolarHBondContact CB-O 3.38Å; A434-N465 HydrophobicContact CB-CB 4.39Å; A434-A466 HydrophobicContact CB-CB 4.28Å; A434-A466 WeakPolarHBondContact O-CA 3.37Å; A434-N471 PolarHBondContact O-ND2 3.36Å; A434-N471 VanDerWaalsContact O-ND2 3.07Å; A434-V474 HydrophobicContact CB-CG1 4.22Å
435	L	94.4	Very high	92.7	Very high	65 Å²	65	52 Å²	52	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-43.1	174.9	-173.8	69.5	0	0	0	111.7	L431 D432 G437 N465 A469 N471	L431-L435 PolarHBondContact O-N 3.26Å; D432-L435 PolarHBondContact O-N 3.31Å; L435-G437 VanDerWaalsContact C-N 3.33Å; L435-N465 HydrophobicContact CB-CB 4.12Å; L435-N465 HydrophobicContact CD1-CB 4.3Å; L435-A469 HydrophobicContact CD1-CB 4.31Å; L435-A469 WeakPolarHBondContact O-CB 3.45Å; L435-N471 PolarHBondContact O-ND2 3.24Å
436	E	93.1	Very high	92.8	Very high	112 Å²	112	48.1 Å²	48.1	52%	0.523	25%	0.249	S	C	.	.	H	α-helix	trans	-81.2	-11.7	-178.4	-58	-69.8	160.3	0	0	113	R282 D432 E438	R282-E436 IonicContact NH1-OE1 2.81Å; R282-E436 PolarHBondContact NH1-OE1 2.92Å; R282-E436 VanDerWaalsContact NH1-OE1 3.12Å; D432-E436 WeakPolarHBondContact O-CG 3.29Å; D432-E436 PolarHBondContact O-N 3.1Å; E436-E438 HydrophobicContact CB-CG 4.38Å
437	G	94	Very high	92.9	Very high	24 Å²	24	54 Å²	54	25%	0.247	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	16.5	177.3	0	0	0	0	0	114.9	A433 L435 L439 N471	A433-G437 PolarHBondContact O-N 3.45Å; L435-G437 VanDerWaalsContact C-N 3.33Å; G437-L439 VanDerWaalsContact C-N 3.35Å; G437-L439 PolarHBondContact O-N 3.11Å; G437-N471 VanDerWaalsContact CA-CG 3.49Å; G437-N471 WeakPolarHBondContact CA-ND2 3.47Å; G437-N471 PolarHBondContact N-ND2 2.97Å; G437-N471 VanDerWaalsContact N-ND2 3.15Å
438	E	94.9	Very high	92.8	Very high	91 Å²	91	59.5 Å²	59.5	43%	0.425	30%	0.295	S	S	.	.			trans	-77	78.7	-178.2	-66.1	-171.4	-171.1	0	0	111.6	A433 E436 D440 L441 V442	A433-E438 HydrophobicContact CB-CB 4.44Å; A433-E438 PolarHBondContact O-N 2.82Å; E436-E438 HydrophobicContact CB-CG 4.38Å; E438-D440 VanDerWaalsContact C-N 3.3Å; E438-D440 PolarHBondContact O-N 3.37Å; E438-L441 HydrophobicContact CB-CB 3.87Å; E438-L441 WeakPolarHBondContact O-CB 3.25Å; E438-L441 PolarHBondContact O-N 3Å; E438-L441 WeakPolarHBondContact OE2-CD2 3.44Å; E438-V442 WeakPolarHBondContact O-CG2 3.49Å; E438-V442 PolarHBondContact O-N 3.42Å
439	L	95.1	Very high	92.7	Very high	46 Å²	46	58.3 Å²	58.3	24%	0.241	28%	0.284	C	S	.	.	H	α-helix	trans	-52.9	-41.7	-174.9	-179.4	62.4	0	0	0	114	G437 L441 V442 K443 E473 V474 F477	G437-L439 VanDerWaalsContact C-N 3.35Å; G437-L439 PolarHBondContact O-N 3.11Å; L439-L441 VanDerWaalsContact C-N 3.31Å; L439-L441 PolarHBondContact O-N 3.24Å; L439-V442 PolarHBondContact O-N 3.4Å; L439-K443 HydrophobicContact CD1-CD 4.48Å; L439-K443 HydrophobicContact CD1-CG 4.48Å; L439-K443 HydrophobicContact CG-CD 4.25Å; L439-K443 WeakPolarHBondContact O-CB 3.39Å; L439-K443 WeakPolarHBondContact O-CG 3.45Å; L439-K443 PolarHBondContact O-N 3.25Å; L439-E473 HydrophobicContact CD2-CB 4.42Å; L439-V474 HydrophobicContact CB-CG2 4.32Å; L439-V474 HydrophobicContact CD1-CG2 4.28Å; L439-F477 HydrophobicContact CD1-CB 3.81Å; L439-F477 HydrophobicContact CD1-CD1 4.42Å; L439-F477 HydrophobicContact CD1-CG 4.09Å
440	D	94.2	Very high	92.3	Very high	110 Å²	110	62 Å²	62	59%	0.588	31%	0.311	S	S	*	.	H	α-helix	trans	-67.1	-34.5	179.6	-71.8	-33.9	0	0	0	112.3	E438 R444	E438-D440 VanDerWaalsContact C-N 3.3Å; E438-D440 PolarHBondContact O-N 3.37Å; D440-R444 WeakPolarHBondContact O-CG 3.41Å; D440-R444 PolarHBondContact O-N 3.12Å
441	L	93	Very high	92.1	Very high	39 Å²	39	65.7 Å²	65.7	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-73.7	-42.1	176	-174.4	58.9	0	0	0	110.6	L429 A433 E438 L439 K443 R444 C445	L429-L441 HydrophobicContact CD1-CD2 3.96Å; L429-L441 HydrophobicContact CD2-CD1 4.12Å; L429-L441 HydrophobicContact CG-CD1 4.34Å; L429-L441 HydrophobicContact CG-CD2 4.22Å; L429-L441 HydrophobicContact CG-CG 4.42Å; A433-L441 HydrophobicContact CB-CB 4.02Å; A433-L441 HydrophobicContact CB-CD2 3.73Å; A433-L441 HydrophobicContact CB-CG 3.78Å; E438-L441 HydrophobicContact CB-CB 3.87Å; E438-L441 WeakPolarHBondContact O-CB 3.25Å; E438-L441 PolarHBondContact O-N 3Å; E438-L441 WeakPolarHBondContact OE2-CD2 3.44Å; L439-L441 VanDerWaalsContact C-N 3.31Å; L439-L441 PolarHBondContact O-N 3.24Å; L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 3.23Å; L441-R444 PolarHBondContact O-N 3.42Å; L441-R444 VanDerWaalsContact O-N 3.11Å; L441-C445 PolarHBondContact O-N 2.96Å; L441-C445 PolarHBondContact O-SG 3.29Å
442	V	94.6	Very high	92	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-55	-47.8	172.7	172.7	0	0	0	0	110.5	L430 A433 A434 E438 L439 R444 C445 A446 V474 F477 L478	L430-V442 HydrophobicContact CD1-CB 4.37Å; L430-V442 HydrophobicContact CD1-CG1 3.84Å; A433-V442 HydrophobicContact CB-CG2 3.73Å; A434-V442 HydrophobicContact CB-CG2 4.38Å; E438-V442 WeakPolarHBondContact O-CG2 3.49Å; E438-V442 PolarHBondContact O-N 3.42Å; L439-V442 PolarHBondContact O-N 3.4Å; V442-R444 VanDerWaalsContact C-N 3.29Å; V442-R444 PolarHBondContact O-N 2.7Å; V442-C445 PolarHBondContact O-N 3.18Å; V442-A446 WeakPolarHBondContact O-CB 3.37Å; V442-A446 PolarHBondContact O-N 2.97Å; V442-V474 HydrophobicContact CG1-CG1 4.24Å; V442-V474 HydrophobicContact CG2-CG1 4.01Å; V442-F477 HydrophobicContact CG1-CD1 3.76Å; V442-F477 HydrophobicContact CG1-CE1 3.89Å; V442-L478 HydrophobicContact CG1-CD2 3.94Å; V442-L478 HydrophobicContact CG1-CG 4.34Å
443	K	93.6	Very high	92	Very high	80 Å²	80	63.6 Å²	63.6	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-34	177.2	-78.3	172.2	178.7	173.6	0	113.9	L439 L441 K447 F477	L439-K443 HydrophobicContact CD1-CD 4.48Å; L439-K443 HydrophobicContact CD1-CG 4.48Å; L439-K443 HydrophobicContact CG-CD 4.25Å; L439-K443 WeakPolarHBondContact O-CB 3.39Å; L439-K443 WeakPolarHBondContact O-CG 3.45Å; L439-K443 PolarHBondContact O-N 3.25Å; L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 3.23Å; K443-K447 WeakPolarHBondContact O-CG 3.47Å; K443-F477 HydrophobicContact CB-CE1 4.49Å; K443-F477 HydrophobicContact CB-CZ 4.19Å; K443-F477 HydrophobicContact CD-CE2 4.4Å; K443-F477 HydrophobicContact CG-CD1 4.21Å; K443-F477 HydrophobicContact CG-CD2 3.99Å; K443-F477 HydrophobicContact CG-CE1 3.84Å; K443-F477 HydrophobicContact CG-CE2 3.6Å; K443-F477 HydrophobicContact CG-CG 4.28Å; K443-F477 HydrophobicContact CG-CZ 3.52Å
444	R	92.5	Very high	91.7	Very high	171 Å²	171	66 Å²	66	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-74.6	-48.6	176	-70.4	174.8	-161.6	167.9	7.2	110.6	D440 L441 V442 A446 K447	D440-R444 WeakPolarHBondContact O-CG 3.41Å; D440-R444 PolarHBondContact O-N 3.12Å; L441-R444 PolarHBondContact O-N 3.42Å; L441-R444 VanDerWaalsContact O-N 3.11Å; V442-R444 VanDerWaalsContact C-N 3.29Å; V442-R444 PolarHBondContact O-N 2.7Å; R444-A446 VanDerWaalsContact C-N 3.34Å; R444-A446 PolarHBondContact O-N 2.93Å; R444-K447 WeakPolarHBondContact O-CB 3.32Å; R444-K447 PolarHBondContact O-N 3.27Å
445	C	90.7	Very high	91.4	Very high	6 Å²	6	68.8 Å²	68.8	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-66.5	-36.2	-177.8	-57.5	0	0	0	0	112.1	L429 L430 L441 V442 K447 E448 V449	L429-C445 VanDerWaalsContact CD2-SG 3.52Å; L429-C445 VanDerWaalsContact CG-SG 3.55Å; L430-C445 HydrophobicContact CB-CB 3.83Å; L430-C445 HydrophobicContact CD1-CB 4.07Å; L441-C445 PolarHBondContact O-N 2.96Å; L441-C445 PolarHBondContact O-SG 3.29Å; V442-C445 PolarHBondContact O-N 3.18Å; C445-K447 PolarHBondContact O-N 3.02Å; C445-K447 VanDerWaalsContact O-N 3.13Å; C445-E448 PolarHBondContact O-N 3.44Å; C445-V449 WeakPolarHBondContact O-CG2 3.28Å; C445-V449 PolarHBondContact O-N 3.43Å; C445-V449 VanDerWaalsContact O-N 3.12Å
446	A	89.7	Confident	90.9	Very high	16 Å²	16	71.9 Å²	71.9	13%	0.132	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-22.5	176.1	0	0	0	0	0	113.6	V442 R444 V452 F477	V442-A446 WeakPolarHBondContact O-CB 3.37Å; V442-A446 PolarHBondContact O-N 2.97Å; R444-A446 VanDerWaalsContact C-N 3.34Å; R444-A446 PolarHBondContact O-N 2.93Å; A446-V452 HydrophobicContact CB-CG1 3.81Å; A446-F477 HydrophobicContact CB-CE1 4.02Å; A446-F477 HydrophobicContact CB-CZ 4.32Å
447	K	90.2	Very high	90.3	Very high	170 Å²	170	74.5 Å²	74.5	74%	0.739	38%	0.375	S	S	*	.	H	α-helix	trans	-82.2	-23.2	174.2	-64.3	175.6	-176.5	-176.5	0	113.2	K443 R444 C445	K443-K447 WeakPolarHBondContact O-CG 3.47Å; R444-K447 WeakPolarHBondContact O-CB 3.32Å; R444-K447 PolarHBondContact O-N 3.27Å; C445-K447 PolarHBondContact O-N 3.02Å; C445-K447 VanDerWaalsContact O-N 3.13Å
448	E	87.9	Confident	90	Very high	145 Å²	145	78.8 Å²	78.8	68%	0.678	39%	0.389	S	S	*	.	H	α-helix	trans	-90.6	-22.7	-177.9	-58.8	-63.8	152.6	0	0	112.1	P426 C445	P426-E448 HydrophobicContact CB-CB 3.81Å; P426-E448 HydrophobicContact CG-CB 4.45Å; C445-E448 PolarHBondContact O-N 3.44Å
449	V	87.4	Confident	89.8	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.085	38%	0.376	C	S	.	.	S	Bend	trans	-92.9	134.6	176.9	-175	0	0	0	0	109.3	P426 L430 C445 N451 V454	P426-V449 HydrophobicContact CB-CG2 3.97Å; P426-V449 HydrophobicContact CG-CG2 4.46Å; L430-V449 HydrophobicContact CD2-CG2 4.24Å; C445-V449 WeakPolarHBondContact O-CG2 3.28Å; C445-V449 PolarHBondContact O-N 3.43Å; C445-V449 VanDerWaalsContact O-N 3.12Å; V449-N451 VanDerWaalsContact C-N 3.27Å; V449-N451 WeakPolarHBondContact CG1-O 2.96Å; V449-N451 PolarHBondContact O-N 3.45Å; V449-V454 HydrophobicContact CG1-CB 4.35Å; V449-V454 HydrophobicContact CG1-CG2 4.22Å
450	P	84.5	Confident	89.7	Confident	133 Å²	133	75.1 Å²	75.1	86%	0.864	38%	0.376	S	S	*	.	S	Bend	trans	-64.9	-27.9	-176.9	25.3	-35.9	0	0	0	114.2
451	N	88.9	Confident	89.7	Confident	79 Å²	79	70.1 Å²	70.1	42%	0.422	35%	0.349	S	S	.	.			trans	-145.8	130.2	176.4	179.8	-7.2	0	0	0	108.9	V449 S453 V454	V449-N451 VanDerWaalsContact C-N 3.27Å; V449-N451 WeakPolarHBondContact CG1-O 2.96Å; V449-N451 PolarHBondContact O-N 3.45Å; N451-S453 PolarHBondContact O-N 3.46Å; N451-S453 VanDerWaalsContact OD1-CB 3.3Å; N451-S453 WeakPolarHBondContact OD1-CB 3.22Å; N451-S453 PolarHBondContact OD1-N 3.11Å; N451-S453 PolarHBondContact OD1-OG 3.1Å; N451-S453 VanDerWaalsContact OD1-OG 3.09Å; N451-V454 HydrophobicContact CB-CG2 4.13Å; N451-V454 WeakPolarHBondContact O-CG2 2.97Å; N451-V454 PolarHBondContact O-N 3.09Å
452	V	90.8	Very high	89.9	Confident	10 Å²	10	68.2 Å²	68.2	6%	0.061	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.3	178.1	-67.9	0	0	0	0	113.6	A446 V454 L478 A481 A483	A446-V452 HydrophobicContact CB-CG1 3.81Å; V452-V454 VanDerWaalsContact C-N 3.32Å; V452-L478 HydrophobicContact CB-CD2 4.42Å; V452-A481 HydrophobicContact CG1-CB 4.32Å; V452-A481 HydrophobicContact CG2-CB 4.47Å; V452-A483 HydrophobicContact CG2-CB 3.83Å
453	S	91.7	Very high	90	Very high	22 Å²	22	68.3 Å²	68.3	15%	0.154	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	2.4	178.7	-44.8	0	0	0	0	113.7	N451 C455 T461 A483 D484	N451-S453 PolarHBondContact O-N 3.46Å; N451-S453 VanDerWaalsContact OD1-CB 3.3Å; N451-S453 WeakPolarHBondContact OD1-CB 3.22Å; N451-S453 PolarHBondContact OD1-N 3.11Å; N451-S453 PolarHBondContact OD1-OG 3.1Å; N451-S453 VanDerWaalsContact OD1-OG 3.09Å; S453-C455 PolarHBondContact O-N 2.84Å; S453-T461 WeakPolarHBondContact O-CG2 3.31Å; S453-A483 WeakPolarHBondContact OG-CA 3.39Å; S453-D484 PolarHBondContact OG-N 3.36Å
454	V	89.9	Confident	90.2	Very high	52 Å²	52	64.8 Å²	64.8	32%	0.315	32%	0.324	S	S	.	.			trans	-62.6	136.8	175.3	177.6	0	0	0	0	109.4	L427 V449 N451 V452	L427-V454 HydrophobicContact CD1-CB 4Å; L427-V454 HydrophobicContact CD1-CG1 3.82Å; L427-V454 HydrophobicContact CD2-CG1 3.61Å; L427-V454 HydrophobicContact CG-CG1 4.35Å; V449-V454 HydrophobicContact CG1-CB 4.35Å; V449-V454 HydrophobicContact CG1-CG2 4.22Å; N451-V454 HydrophobicContact CB-CG2 4.13Å; N451-V454 WeakPolarHBondContact O-CG2 2.97Å; N451-V454 PolarHBondContact O-N 3.09Å; V452-V454 VanDerWaalsContact C-N 3.32Å
455	C	88	Confident	90.4	Very high	60 Å²	60	58.1 Å²	58.1	41%	0.405	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-108.1	162.8	-176.9	54.1	0	0	0	0	113.4	S453 G459 I460 T461	S453-C455 PolarHBondContact O-N 2.84Å; C455-G459 WeakPolarHBondContact CB-O 3.33Å; C455-I460 CarbonylContact C-O 3.59Å; C455-I460 VanDerWaalsContact CA-O 3.22Å; C455-I460 WeakPolarHBondContact CA-O 3.22Å; C455-I460 WeakPolarHBondContact CB-O 3.38Å; C455-T461 HydrophobicContact CB-CG2 3.97Å
456	Y	84.9	Confident	90.7	Very high	129 Å²	129	57.9 Å²	57.9	51%	0.506	30%	0.3	S	S	.	.			trans	-83.9	-176.3	166.9	-164.6	-107.6	0	0	0	111.6	L431 E458 G459 I460	L431-Y456 HydrophobicContact CD1-CD2 4.3Å; L431-Y456 HydrophobicContact CD1-CG 4.33Å; Y456-E458 PolarHBondContact O-N 3.28Å; Y456-G459 PolarHBondContact O-N 2.81Å; Y456-I460 PolarHBondContact N-O 3.47Å
457	E	79.7	Confident	91.1	Very high	167 Å²	167	57.1 Å²	57.1	78%	0.78	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-28.5	-173.2	-67.1	179.8	153.4	0	0	114.9
458	E	87.1	Confident	91.3	Very high	114 Å²	114	52.3 Å²	52.3	53%	0.533	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	14.8	-178.7	-65.5	176.2	172.1	0	0	113.3	Y456 I460 D489 S490	Y456-E458 PolarHBondContact O-N 3.28Å; E458-I460 HydrophobicContact CB-CD1 4.09Å; E458-I460 HydrophobicContact CB-CG1 4.09Å; E458-I460 PolarHBondContact O-N 3.17Å; E458-D489 CarbonylContact O-C 3.51Å; E458-D489 WeakPolarHBondContact O-CB 3.48Å; E458-S490 PolarHBondContact O-N 2.89Å; E458-S490 PolarHBondContact O-OG 3.33Å
459	G	90.5	Very high	91.7	Very high	15 Å²	15	47.4 Å²	47.4	16%	0.155	27%	0.265	C	S	.	.	S	Bend	trans	76.3	-2.4	-176.7	0	0	0	0	0	114.4	C455 Y456 T461	C455-G459 WeakPolarHBondContact CB-O 3.33Å; Y456-G459 PolarHBondContact O-N 2.81Å; G459-T461 PolarHBondContact O-N 3.29Å
460	I	93.9	Very high	92	Very high	46 Å²	46	48.3 Å²	48.3	24%	0.236	28%	0.277	C	S	.	.			trans	-64	122.6	177	-57.4	173.6	0	0	0	110.3	C455 Y456 E458 H464 N465	C455-I460 CarbonylContact C-O 3.59Å; C455-I460 VanDerWaalsContact CA-O 3.22Å; C455-I460 WeakPolarHBondContact CA-O 3.22Å; C455-I460 WeakPolarHBondContact CB-O 3.38Å; Y456-I460 PolarHBondContact N-O 3.47Å; E458-I460 HydrophobicContact CB-CD1 4.09Å; E458-I460 HydrophobicContact CB-CG1 4.09Å; E458-I460 PolarHBondContact O-N 3.17Å; I460-H464 HydrophobicContact CG2-CB 4.01Å; I460-N465 VanDerWaalsContact CG2-OD1 3.31Å; I460-N465 WeakPolarHBondContact CG2-OD1 3.33Å
461	T	95.3	Very high	92.5	Very high	4 Å²	4	44 Å²	44	3%	0.025	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-100.3	168	176.6	71	0	0	0	0	111.7	S453 C455 G459 L463 H464 N465 A487	S453-T461 WeakPolarHBondContact O-CG2 3.31Å; C455-T461 HydrophobicContact CB-CG2 3.97Å; G459-T461 PolarHBondContact O-N 3.29Å; T461-L463 PolarHBondContact O-N 2.8Å; T461-L463 PolarHBondContact OG1-N 2.98Å; T461-H464 PolarHBondContact N-ND1 3.25Å; T461-H464 WeakPolarHBondContact O-CB 3.3Å; T461-H464 PolarHBondContact O-N 3.06Å; T461-H464 VanDerWaalsContact O-N 3.14Å; T461-H464 PolarHBondContact OG1-N 3.46Å; T461-H464 PolarHBondContact OG1-ND1 2.96Å; T461-N465 PolarHBondContact O-N 2.98Å; T461-A487 HydrophobicContact CG2-CB 3.98Å
462	A	95.9	Very high	92.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-31.3	173.8	0	0	0	0	0	112.5	L430 L431 A434 N465 A466 L478	L430-A462 HydrophobicContact CD1-CB 4.43Å; L430-A462 HydrophobicContact CD2-CB 4.15Å; L430-A462 HydrophobicContact CG-CB 3.85Å; L431-A462 HydrophobicContact CD2-CB 4.24Å; L431-A462 VanDerWaalsContact CD2-N 3.35Å; A434-A462 HydrophobicContact CB-CB 4.02Å; A434-A462 WeakPolarHBondContact CB-O 3.38Å; A462-N465 PolarHBondContact O-N 3.29Å; A462-A466 WeakPolarHBondContact O-CB 3.1Å; A462-A466 PolarHBondContact O-N 3.45Å; A462-L478 HydrophobicContact CB-CD1 4.04Å; A462-L478 HydrophobicContact CB-CD2 4.33Å
463	L	97.5	Very high	93.2	Very high	2 Å²	2	49 Å²	49	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-42.7	176.8	-176.5	58.5	0	0	0	111.6	T461 N465 A466 I467 V475 L478 V479 A483 P495	T461-L463 PolarHBondContact O-N 2.8Å; T461-L463 PolarHBondContact OG1-N 2.98Å; L463-N465 PolarHBondContact O-N 2.82Å; L463-A466 PolarHBondContact O-N 3.17Å; L463-I467 HydrophobicContact CD1-CD1 3.93Å; L463-I467 HydrophobicContact CD1-CG1 4.3Å; L463-I467 HydrophobicContact CG-CD1 3.87Å; L463-I467 WeakPolarHBondContact O-CD1 3.39Å; L463-I467 WeakPolarHBondContact O-CG1 3.5Å; L463-I467 PolarHBondContact O-N 3.23Å; L463-V475 HydrophobicContact CD1-CB 4.39Å; L463-V475 HydrophobicContact CD1-CG1 3.93Å; L463-V475 HydrophobicContact CD1-CG2 4.4Å; L463-L478 HydrophobicContact CB-CD1 4.44Å; L463-L478 HydrophobicContact CD1-CB 4.35Å; L463-V479 HydrophobicContact CD1-CG2 3.99Å; L463-V479 HydrophobicContact CD2-CG2 4.18Å; L463-A483 HydrophobicContact CD2-CB 4.18Å; L463-P495 HydrophobicContact CD2-CB 3.98Å; L463-P495 HydrophobicContact CD2-CG 3.67Å; L463-P495 HydrophobicContact CG-CB 4.16Å; L463-P495 HydrophobicContact CG-CG 4.04Å
464	H	97.3	Very high	93.5	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-50.3	174.3	-68.8	89.8	0	0	0	111.1	I460 T461 A466 I467 C468 A487 W493 P495	I460-H464 HydrophobicContact CG2-CB 4.01Å; T461-H464 PolarHBondContact N-ND1 3.25Å; T461-H464 WeakPolarHBondContact O-CB 3.3Å; T461-H464 PolarHBondContact O-N 3.06Å; T461-H464 VanDerWaalsContact O-N 3.14Å; T461-H464 PolarHBondContact OG1-N 3.46Å; T461-H464 PolarHBondContact OG1-ND1 2.96Å; H464-A466 PolarHBondContact O-N 3.4Å; H464-I467 PolarHBondContact O-N 3.37Å; H464-C468 PolarHBondContact O-N 3.27Å; H464-C468 PolarHBondContact O-SG 2.66Å; H464-C468 VanDerWaalsContact O-SG 3.36Å; H464-A487 PolarHBondContact CE1-O 3.36Å; H464-A487 PolarHBondContact NE2-O 2.83Å; H464-W493 PolarHBondContact NE2-O 3.21Å; H464-P495 WeakPolarHBondContact NE2-CD 3.43Å
465	N	95.8	Very high	93.9	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.171	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-45.2	179.2	-76.4	-0.9	0	0	0	112.7	L431 A434 L435 I460 T461 A462 L463 I467 C468 A469	L431-N465 PolarHBondContact O-ND2 3.49Å; A434-N465 HydrophobicContact CB-CB 4.39Å; L435-N465 HydrophobicContact CB-CB 4.12Å; L435-N465 HydrophobicContact CD1-CB 4.3Å; I460-N465 VanDerWaalsContact CG2-OD1 3.31Å; I460-N465 WeakPolarHBondContact CG2-OD1 3.33Å; T461-N465 PolarHBondContact O-N 2.98Å; A462-N465 PolarHBondContact O-N 3.29Å; L463-N465 PolarHBondContact O-N 2.82Å; N465-I467 VanDerWaalsContact C-N 3.29Å; N465-I467 PolarHBondContact O-N 3.49Å; N465-C468 PolarHBondContact O-N 3.04Å; N465-A469 WeakPolarHBondContact O-CB 3.4Å; N465-A469 PolarHBondContact O-N 3.06Å
466	A	97.3	Very high	94.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-37.2	179.3	0	0	0	0	0	112.3	A434 A462 L463 H464 G470 N471 V474 V475 L478	A434-A466 HydrophobicContact CB-CB 4.28Å; A434-A466 WeakPolarHBondContact O-CA 3.37Å; A462-A466 WeakPolarHBondContact O-CB 3.1Å; A462-A466 PolarHBondContact O-N 3.45Å; L463-A466 PolarHBondContact O-N 3.17Å; H464-A466 PolarHBondContact O-N 3.4Å; A466-G470 PolarHBondContact O-N 2.48Å; A466-G470 VanDerWaalsContact O-N 3.15Å; A466-N471 PolarHBondContact O-N 3.12Å; A466-V474 HydrophobicContact CB-CB 4.18Å; A466-V474 HydrophobicContact CB-CG1 3.68Å; A466-V475 HydrophobicContact CB-CG2 3.72Å; A466-L478 HydrophobicContact CB-CD1 4.13Å
467	I	97.7	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-48.9	178.3	-69.2	166.3	0	0	0	111	L463 H464 N465 A469 G470 V475 P495 C498 A499 I507 L511	L463-I467 HydrophobicContact CD1-CD1 3.93Å; L463-I467 HydrophobicContact CD1-CG1 4.3Å; L463-I467 HydrophobicContact CG-CD1 3.87Å; L463-I467 WeakPolarHBondContact O-CD1 3.39Å; L463-I467 WeakPolarHBondContact O-CG1 3.5Å; L463-I467 PolarHBondContact O-N 3.23Å; H464-I467 PolarHBondContact O-N 3.37Å; N465-I467 VanDerWaalsContact C-N 3.29Å; N465-I467 PolarHBondContact O-N 3.49Å; I467-A469 PolarHBondContact O-N 3.23Å; I467-G470 WeakPolarHBondContact O-CA 3.42Å; I467-G470 PolarHBondContact O-N 2.56Å; I467-V475 HydrophobicContact CG1-CG1 4.32Å; I467-V475 HydrophobicContact CG1-CG2 3.6Å; I467-P495 HydrophobicContact CD1-CB 3.48Å; I467-P495 VanDerWaalsContact CD1-CB 3.48Å; I467-C498 HydrophobicContact CB-CB 4.5Å; I467-C498 HydrophobicContact CG2-CB 3.79Å; I467-A499 HydrophobicContact CG2-CB 3.72Å; I467-I507 HydrophobicContact CD1-CG2 4.48Å; I467-I507 HydrophobicContact CG1-CG2 4Å; I467-I507 HydrophobicContact CG2-CG2 4.25Å; I467-L511 HydrophobicContact CD1-CD1 3.86Å; I467-L511 HydrophobicContact CD1-CD2 4.37Å
468	C	95.5	Very high	95.7	Very high	70 Å²	70	35.6 Å²	35.6	47%	0.473	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-30.9	178.3	-67.7	0	0	0	0	112.2	H464 N465	H464-C468 PolarHBondContact O-N 3.27Å; H464-C468 PolarHBondContact O-SG 2.66Å; H464-C468 VanDerWaalsContact O-SG 3.36Å; N465-C468 PolarHBondContact O-N 3.04Å
469	A	95.1	Very high	96.1	Very high	41 Å²	41	30.8 Å²	30.8	34%	0.339	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11	173.1	0	0	0	0	0	114.2	L435 N465 I467 N471	L435-A469 HydrophobicContact CD1-CB 4.31Å; L435-A469 WeakPolarHBondContact O-CB 3.45Å; N465-A469 WeakPolarHBondContact O-CB 3.4Å; N465-A469 PolarHBondContact O-N 3.06Å; I467-A469 PolarHBondContact O-N 3.23Å; A469-N471 VanDerWaalsContact C-N 3.34Å; A469-N471 VanDerWaalsContact CB-ND2 3.29Å; A469-N471 WeakPolarHBondContact CB-ND2 3.27Å
470	G	94.3	Very high	96.2	Very high	34 Å²	34	35.1 Å²	35.1	35%	0.351	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	17.1	-177.9	0	0	0	0	0	114.9	A466 I467 Y472	A466-G470 PolarHBondContact O-N 2.48Å; A466-G470 VanDerWaalsContact O-N 3.15Å; I467-G470 WeakPolarHBondContact O-CA 3.42Å; I467-G470 PolarHBondContact O-N 2.56Å; G470-Y472 PolarHBondContact O-N 2.9Å
471	N	96.1	Very high	96.1	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.23	19%	0.191	C	C	.	.			trans	-80.1	76.6	-174.3	-68.1	-38.5	0	0	0	112.1	A434 L435 G437 A466 A469 E473 V474 V475	A434-N471 PolarHBondContact O-ND2 3.36Å; A434-N471 VanDerWaalsContact O-ND2 3.07Å; L435-N471 PolarHBondContact O-ND2 3.24Å; G437-N471 VanDerWaalsContact CA-CG 3.49Å; G437-N471 WeakPolarHBondContact CA-ND2 3.47Å; G437-N471 PolarHBondContact N-ND2 2.97Å; G437-N471 VanDerWaalsContact N-ND2 3.15Å; A466-N471 PolarHBondContact O-N 3.12Å; A469-N471 VanDerWaalsContact C-N 3.34Å; A469-N471 VanDerWaalsContact CB-ND2 3.29Å; A469-N471 WeakPolarHBondContact CB-ND2 3.27Å; N471-E473 VanDerWaalsContact C-N 3.35Å; N471-E473 PolarHBondContact O-N 3.27Å; N471-V474 HydrophobicContact CB-CB 3.97Å; N471-V474 HydrophobicContact CB-CG2 4.08Å; N471-V474 WeakPolarHBondContact O-CB 3.39Å; N471-V474 PolarHBondContact O-N 2.88Å; N471-V475 WeakPolarHBondContact O-CG2 3.29Å; N471-V475 PolarHBondContact O-N 2.96Å
472	Y	97.3	Very high	95.9	Very high	84 Å²	84	36.6 Å²	36.6	33%	0.329	21%	0.206	S	C	.	.	H	α-helix	trans	-51.9	-45.2	-175.3	-179	-96.8	0	0	0	114.3	G470 V474 V475 R476 P506 I507 F510	G470-Y472 PolarHBondContact O-N 2.9Å; Y472-V474 VanDerWaalsContact C-N 3.29Å; Y472-V474 PolarHBondContact O-N 3.26Å; Y472-V475 WeakPolarHBondContact O-CB 3.4Å; Y472-V475 PolarHBondContact O-N 2.95Å; Y472-R476 WeakPolarHBondContact O-CB 3.4Å; Y472-R476 PolarHBondContact O-N 3.33Å; Y472-P506 HydrophobicContact CD2-CB 4.5Å; Y472-I507 HydrophobicContact CD2-CG1 3.89Å; Y472-F510 HydrophobicContact CE2-CB 4.1Å; Y472-F510 HydrophobicContact CE2-CG 4.27Å
473	E	96.9	Very high	95.8	Very high	110 Å²	110	36.8 Å²	36.8	51%	0.514	21%	0.208	S	C	.	.	H	α-helix	trans	-65.3	-32.9	-179.4	-65.2	-59.1	151.4	0	0	112.9	L439 N471 F477	L439-E473 HydrophobicContact CD2-CB 4.42Å; N471-E473 VanDerWaalsContact C-N 3.35Å; N471-E473 PolarHBondContact O-N 3.27Å; E473-F477 WeakPolarHBondContact O-CB 3.49Å; E473-F477 PolarHBondContact O-N 3.46Å
474	V	97.6	Very high	95.6	Very high	2 Å²	2	40 Å²	40	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-72.6	-44.8	174.8	176.1	0	0	0	0	110.2	A434 L439 V442 A466 N471 Y472 R476 F477 L478	A434-V474 HydrophobicContact CB-CG1 4.22Å; L439-V474 HydrophobicContact CB-CG2 4.32Å; L439-V474 HydrophobicContact CD1-CG2 4.28Å; V442-V474 HydrophobicContact CG1-CG1 4.24Å; V442-V474 HydrophobicContact CG2-CG1 4.01Å; A466-V474 HydrophobicContact CB-CB 4.18Å; A466-V474 HydrophobicContact CB-CG1 3.68Å; N471-V474 HydrophobicContact CB-CB 3.97Å; N471-V474 HydrophobicContact CB-CG2 4.08Å; N471-V474 WeakPolarHBondContact O-CB 3.39Å; N471-V474 PolarHBondContact O-N 2.88Å; Y472-V474 VanDerWaalsContact C-N 3.29Å; Y472-V474 PolarHBondContact O-N 3.26Å; V474-R476 VanDerWaalsContact C-N 3.31Å; V474-R476 PolarHBondContact O-N 3.42Å; V474-F477 PolarHBondContact O-N 3.43Å; V474-L478 HydrophobicContact CG1-CD1 3.86Å; V474-L478 HydrophobicContact CG1-CG 4.26Å; V474-L478 WeakPolarHBondContact O-CB 3.46Å; V474-L478 VanDerWaalsContact O-CG 3.32Å; V474-L478 WeakPolarHBondContact O-CG 3.46Å; V474-L478 PolarHBondContact O-N 3.23Å
475	V	97.8	Very high	95.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.1	-49.9	174.4	170.7	0	0	0	0	110.4	L463 A466 I467 N471 Y472 F477 L478 V479 I507 F510	L463-V475 HydrophobicContact CD1-CB 4.39Å; L463-V475 HydrophobicContact CD1-CG1 3.93Å; L463-V475 HydrophobicContact CD1-CG2 4.4Å; A466-V475 HydrophobicContact CB-CG2 3.72Å; I467-V475 HydrophobicContact CG1-CG1 4.32Å; I467-V475 HydrophobicContact CG1-CG2 3.6Å; N471-V475 WeakPolarHBondContact O-CG2 3.29Å; N471-V475 PolarHBondContact O-N 2.96Å; Y472-V475 WeakPolarHBondContact O-CB 3.4Å; Y472-V475 PolarHBondContact O-N 2.95Å; V475-F477 PolarHBondContact O-N 3.42Å; V475-L478 PolarHBondContact O-N 3.44Å; V475-V479 WeakPolarHBondContact O-CG2 3.47Å; V475-V479 PolarHBondContact O-N 3.11Å; V475-I507 HydrophobicContact CG1-CG2 4.31Å; V475-I507 HydrophobicContact CG2-CD1 4.24Å; V475-F510 HydrophobicContact CG1-CD1 4.14Å; V475-F510 HydrophobicContact CG1-CE1 4.27Å
476	R	97	Very high	95.5	Very high	101 Å²	101	39.8 Å²	39.8	38%	0.381	23%	0.225	S	C	.	.	H	α-helix	trans	-57.2	-50.4	178.1	-178.7	178.1	171.8	-131.2	-12.4	111.6	Y472 V474 L478 V479 E480 F510	Y472-R476 WeakPolarHBondContact O-CB 3.4Å; Y472-R476 PolarHBondContact O-N 3.33Å; V474-R476 VanDerWaalsContact C-N 3.31Å; V474-R476 PolarHBondContact O-N 3.42Å; R476-L478 PolarHBondContact O-N 2.88Å; R476-V479 PolarHBondContact O-N 3.23Å; R476-E480 HydrophobicContact CG-CG 4.44Å; R476-E480 IonicContact CZ-OE1 3.57Å; R476-E480 IonicContact NE-OE1 3.44Å; R476-E480 PolarHBondContact NE-OE1 3.34Å; R476-E480 IonicContact NH2-OE1 3.69Å; R476-E480 PolarHBondContact NH2-OE1 2.99Å; R476-E480 IonicContact NH2-OE2 3.11Å; R476-E480 WeakPolarHBondContact O-CB 3.3Å; R476-E480 VanDerWaalsContact O-CG 3.3Å; R476-E480 WeakPolarHBondContact O-CG 3.38Å; R476-E480 PolarHBondContact O-N 3.07Å; R476-F510 HydrophobicContact CB-CE1 4.44Å; R476-F510 HydrophobicContact CB-CE2 4.49Å; R476-F510 HydrophobicContact CB-CZ 4.06Å; R476-F510 HydrophobicContact CG-CE2 4.06Å; R476-F510 HydrophobicContact CG-CZ 3.86Å
477	F	96.5	Very high	95.4	Very high	45 Å²	45	40.4 Å²	40.4	20%	0.197	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-43.6	178.3	171.9	-99.4	0	0	0	112.6	L439 V442 K443 A446 E473 V474 V475 E480 A481	L439-F477 HydrophobicContact CD1-CB 3.81Å; L439-F477 HydrophobicContact CD1-CD1 4.42Å; L439-F477 HydrophobicContact CD1-CG 4.09Å; V442-F477 HydrophobicContact CG1-CD1 3.76Å; V442-F477 HydrophobicContact CG1-CE1 3.89Å; K443-F477 HydrophobicContact CB-CE1 4.49Å; K443-F477 HydrophobicContact CB-CZ 4.19Å; K443-F477 HydrophobicContact CD-CE2 4.4Å; K443-F477 HydrophobicContact CG-CD1 4.21Å; K443-F477 HydrophobicContact CG-CD2 3.99Å; K443-F477 HydrophobicContact CG-CE1 3.84Å; K443-F477 HydrophobicContact CG-CE2 3.6Å; K443-F477 HydrophobicContact CG-CG 4.28Å; K443-F477 HydrophobicContact CG-CZ 3.52Å; A446-F477 HydrophobicContact CB-CE1 4.02Å; A446-F477 HydrophobicContact CB-CZ 4.32Å; E473-F477 WeakPolarHBondContact O-CB 3.49Å; E473-F477 PolarHBondContact O-N 3.46Å; V474-F477 PolarHBondContact O-N 3.43Å; V475-F477 PolarHBondContact O-N 3.42Å; F477-E480 PolarHBondContact O-N 3.4Å; F477-A481 HydrophobicContact CE1-CB 4.46Å; F477-A481 HydrophobicContact CZ-CB 4.35Å; F477-A481 VanDerWaalsContact O-CB 3.23Å; F477-A481 WeakPolarHBondContact O-CB 3.38Å; F477-A481 PolarHBondContact O-N 3.28Å
478	L	96.7	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-44.4	-179.3	-73.4	172.2	0	0	0	111.5	V442 V452 A462 L463 A466 V474 V475 R476 A481 G482 A483	V442-L478 HydrophobicContact CG1-CD2 3.94Å; V442-L478 HydrophobicContact CG1-CG 4.34Å; V452-L478 HydrophobicContact CB-CD2 4.42Å; A462-L478 HydrophobicContact CB-CD1 4.04Å; A462-L478 HydrophobicContact CB-CD2 4.33Å; L463-L478 HydrophobicContact CB-CD1 4.44Å; L463-L478 HydrophobicContact CD1-CB 4.35Å; A466-L478 HydrophobicContact CB-CD1 4.13Å; V474-L478 HydrophobicContact CG1-CD1 3.86Å; V474-L478 HydrophobicContact CG1-CG 4.26Å; V474-L478 WeakPolarHBondContact O-CB 3.46Å; V474-L478 VanDerWaalsContact O-CG 3.32Å; V474-L478 WeakPolarHBondContact O-CG 3.46Å; V474-L478 PolarHBondContact O-N 3.23Å; V475-L478 PolarHBondContact O-N 3.44Å; R476-L478 PolarHBondContact O-N 2.88Å; L478-A481 CarbonylContact O-C 3.59Å; L478-A481 PolarHBondContact O-N 3.46Å; L478-G482 PolarHBondContact O-N 3.38Å; L478-A483 HydrophobicContact CB-CB 4.07Å; L478-A483 WeakPolarHBondContact O-CB 3.38Å; L478-A483 PolarHBondContact O-N 2.98Å
479	V	95.1	Very high	95.1	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-43.7	176.8	174.4	0	0	0	0	111.1	L463 V475 R476 A481 G482 V485 F510 L511 H514	L463-V479 HydrophobicContact CD1-CG2 3.99Å; L463-V479 HydrophobicContact CD2-CG2 4.18Å; V475-V479 WeakPolarHBondContact O-CG2 3.47Å; V475-V479 PolarHBondContact O-N 3.11Å; R476-V479 PolarHBondContact O-N 3.23Å; V479-A481 PolarHBondContact O-N 3.13Å; V479-G482 PolarHBondContact O-N 3.08Å; V479-V485 HydrophobicContact CG1-CG1 3.98Å; V479-V485 HydrophobicContact CG2-CG1 3.91Å; V479-F510 HydrophobicContact CB-CE1 3.75Å; V479-F510 HydrophobicContact CB-CZ 4.14Å; V479-F510 HydrophobicContact CG1-CE1 3.97Å; V479-F510 HydrophobicContact CG1-CZ 4.18Å; V479-F510 HydrophobicContact CG2-CE1 3.85Å; V479-L511 HydrophobicContact CG2-CD2 4.38Å; V479-H514 HydrophobicContact CG1-CB 3.78Å
480	E	92.9	Very high	95	Very high	107 Å²	107	44 Å²	44	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-27.2	174.3	-72.8	176.8	176.9	0	0	112.6	R476 F477 G482	R476-E480 HydrophobicContact CG-CG 4.44Å; R476-E480 IonicContact CZ-OE1 3.57Å; R476-E480 IonicContact NE-OE1 3.44Å; R476-E480 PolarHBondContact NE-OE1 3.34Å; R476-E480 IonicContact NH2-OE1 3.69Å; R476-E480 PolarHBondContact NH2-OE1 2.99Å; R476-E480 IonicContact NH2-OE2 3.11Å; R476-E480 WeakPolarHBondContact O-CB 3.3Å; R476-E480 VanDerWaalsContact O-CG 3.3Å; R476-E480 WeakPolarHBondContact O-CG 3.38Å; R476-E480 PolarHBondContact O-N 3.07Å; F477-E480 PolarHBondContact O-N 3.4Å; E480-G482 VanDerWaalsContact C-N 3.26Å; E480-G482 PolarHBondContact O-N 3.11Å
481	A	92.1	Very high	94.9	Very high	46 Å²	46	46.5 Å²	46.5	38%	0.38	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.2	173.7	0	0	0	0	0	113.8	V452 F477 L478 V479	V452-A481 HydrophobicContact CG1-CB 4.32Å; V452-A481 HydrophobicContact CG2-CB 4.47Å; F477-A481 HydrophobicContact CE1-CB 4.46Å; F477-A481 HydrophobicContact CZ-CB 4.35Å; F477-A481 VanDerWaalsContact O-CB 3.23Å; F477-A481 WeakPolarHBondContact O-CB 3.38Å; F477-A481 PolarHBondContact O-N 3.28Å; L478-A481 CarbonylContact O-C 3.59Å; L478-A481 PolarHBondContact O-N 3.46Å; V479-A481 PolarHBondContact O-N 3.13Å
482	G	90.7	Very high	94.8	Very high	34 Å²	34	44.4 Å²	44.4	35%	0.351	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	27.8	177.4	0	0	0	0	0	114.6	L478 V479 E480	L478-G482 PolarHBondContact O-N 3.38Å; V479-G482 PolarHBondContact O-N 3.08Å; E480-G482 VanDerWaalsContact C-N 3.26Å; E480-G482 PolarHBondContact O-N 3.11Å
483	A	93.9	Very high	94.8	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.033	23%	0.23	C	C	.	.			trans	-65.5	133.1	169.5	0	0	0	0	0	111	V452 S453 L463 L478 V485	V452-A483 HydrophobicContact CG2-CB 3.83Å; S453-A483 WeakPolarHBondContact OG-CA 3.39Å; L463-A483 HydrophobicContact CD2-CB 4.18Å; L478-A483 HydrophobicContact CB-CB 4.07Å; L478-A483 WeakPolarHBondContact O-CB 3.38Å; L478-A483 PolarHBondContact O-N 2.98Å; A483-V485 PolarHBondContact O-N 3.38Å; A483-V485 VanDerWaalsContact O-N 3.09Å
484	D	93.6	Very high	94.8	Very high	71 Å²	71	38 Å²	38	38%	0.38	21%	0.206	S	C	.	.			trans	-65.7	108.4	175.7	-179.1	6.6	0	0	0	110.2	S453 N486 A487	S453-D484 PolarHBondContact OG-N 3.36Å; D484-N486 PolarHBondContact O-N 2.84Å; D484-N486 WeakPolarHBondContact OD1-CA 3.35Å; D484-N486 PolarHBondContact OD1-N 3.29Å; D484-A487 HydrophobicContact CB-CB 4.13Å; D484-A487 WeakPolarHBondContact O-CB 3.35Å; D484-A487 PolarHBondContact O-N 3.13Å; D484-A487 PolarHBondContact OD1-N 3.19Å; D484-A487 PolarHBondContact OD2-N 3.44Å
485	V	95.5	Very high	94.8	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.9	178.6	-63.4	0	0	0	0	113.2	V479 A483 P495 L511 H514	V479-V485 HydrophobicContact CG1-CG1 3.98Å; V479-V485 HydrophobicContact CG2-CG1 3.91Å; A483-V485 PolarHBondContact O-N 3.38Å; A483-V485 VanDerWaalsContact O-N 3.09Å; V485-P495 WeakPolarHBondContact O-CD 3.36Å; V485-P495 WeakPolarHBondContact O-CG 3.28Å; V485-L511 HydrophobicContact CG1-CD2 4.33Å; V485-H514 HydrophobicContact CG1-CB 4.38Å; V485-H514 WeakPolarHBondContact CG2-O 3.48Å
486	N	95.3	Very high	94.7	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.112	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	10.3	-179.7	-66.5	-47.6	0	0	0	112.7	D484 Q488 G515 A516 C517 G565	D484-N486 PolarHBondContact O-N 2.84Å; D484-N486 WeakPolarHBondContact OD1-CA 3.35Å; D484-N486 PolarHBondContact OD1-N 3.29Å; N486-Q488 PolarHBondContact O-N 3.28Å; N486-G515 PolarHBondContact ND2-O 3.22Å; N486-A516 WeakPolarHBondContact OD1-CA 3.27Å; N486-C517 PolarHBondContact OD1-N 2.77Å; N486-G565 PolarHBondContact ND2-O 2.87Å
487	A	95	Very high	94.7	Very high	13 Å²	13	33 Å²	33	11%	0.107	19%	0.187	C	C	.	.			trans	-55.8	132.4	175.9	0	0	0	0	0	110.6	T461 H464 D484 T494 P495	T461-A487 HydrophobicContact CG2-CB 3.98Å; H464-A487 PolarHBondContact CE1-O 3.36Å; H464-A487 PolarHBondContact NE2-O 2.83Å; D484-A487 HydrophobicContact CB-CB 4.13Å; D484-A487 WeakPolarHBondContact O-CB 3.35Å; D484-A487 PolarHBondContact O-N 3.13Å; D484-A487 PolarHBondContact OD1-N 3.19Å; D484-A487 PolarHBondContact OD2-N 3.44Å; A487-T494 WeakPolarHBondContact O-CA 3.42Å; A487-P495 WeakPolarHBondContact O-CD 3.33Å
488	Q	94.1	Very high	94.7	Very high	90 Å²	90	31.3 Å²	31.3	42%	0.421	18%	0.181	S	C	.	.			trans	-104.6	135.6	179.6	-69.2	-172.6	-63.2	0	0	111.4	N486 G492 W493 T494	N486-Q488 PolarHBondContact O-N 3.28Å; Q488-G492 PolarHBondContact NE2-O 2.92Å; Q488-W493 VanDerWaalsContact CA-O 3.3Å; Q488-W493 WeakPolarHBondContact CA-O 3.46Å; Q488-T494 HydrophobicContact CG-CG2 3.83Å
489	D	93.8	Very high	94.6	Very high	28 Å²	28	31.3 Å²	31.3	15%	0.15	18%	0.181	C	C	.	.			trans	-77	-175.9	167.2	80.2	-2.1	0	0	0	112.1	E458 D491 G492 W493	E458-D489 CarbonylContact O-C 3.51Å; E458-D489 WeakPolarHBondContact O-CB 3.48Å; D489-D491 PolarHBondContact O-N 3.47Å; D489-D491 WeakPolarHBondContact OD1-CA 3.29Å; D489-D491 PolarHBondContact OD1-N 3.3Å; D489-G492 PolarHBondContact O-N 3.2Å; D489-G492 PolarHBondContact OD1-N 3.38Å; D489-W493 PolarHBondContact N-O 3.05Å; D489-W493 WeakPolarHBondContact OD1-CB 3.48Å; D489-W493 PolarHBondContact OD1-N 2.83Å; D489-W493 WeakPolarHBondContact OD2-CB 3.37Å
490	S	93.3	Very high	94.6	Very high	68 Å²	68	30.8 Å²	30.8	48%	0.476	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.7	-179.6	52.1	0	0	0	0	114.7	E458	E458-S490 PolarHBondContact O-N 2.89Å; E458-S490 PolarHBondContact O-OG 3.33Å
491	D	92.1	Very high	94.6	Very high	86 Å²	86	27.6 Å²	27.6	46%	0.46	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.4	178.3	-69.2	-44.4	0	0	0	112.1	D489 W493 L523	D489-D491 PolarHBondContact O-N 3.47Å; D489-D491 WeakPolarHBondContact OD1-CA 3.29Å; D489-D491 PolarHBondContact OD1-N 3.3Å; D491-W493 VanDerWaalsContact C-N 3.34Å; D491-L523 WeakPolarHBondContact O-CB 3.49Å; D491-L523 PolarHBondContact O-N 2.91Å
492	G	94	Very high	94.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.			trans	81.5	9.5	-179.4	0	0	0	0	0	114.5	Q488 D489 T494	Q488-G492 PolarHBondContact NE2-O 2.92Å; D489-G492 PolarHBondContact O-N 3.2Å; D489-G492 PolarHBondContact OD1-N 3.38Å; G492-T494 PolarHBondContact O-N 3.31Å
493	W	96.6	Very high	94.6	Very high	56 Å²	56	27.5 Å²	27.5	21%	0.212	16%	0.156	C	C	.	.			trans	-68.1	132.7	176	-72.1	61.5	0	0	0	109.6	H464 Q488 D489 D491 H497 T522 K532	H464-W493 PolarHBondContact NE2-O 3.21Å; Q488-W493 VanDerWaalsContact CA-O 3.3Å; Q488-W493 WeakPolarHBondContact CA-O 3.46Å; D489-W493 PolarHBondContact N-O 3.05Å; D489-W493 WeakPolarHBondContact OD1-CB 3.48Å; D489-W493 PolarHBondContact OD1-N 2.83Å; D489-W493 WeakPolarHBondContact OD2-CB 3.37Å; D491-W493 VanDerWaalsContact C-N 3.34Å; W493-H497 HydrophobicContact CB-CB 4.31Å; W493-H497 HydrophobicContact CD2-CB 4Å; W493-H497 HydrophobicContact CE3-CB 3.45Å; W493-H497 VanDerWaalsContact CE3-CB 3.45Å; W493-H497 HydrophobicContact CG-CB 4.4Å; W493-H497 HydrophobicContact CZ3-CB 4.02Å; W493-T522 HydrophobicContact CG-CG2 4.37Å; W493-K532 HydrophobicContact CH2-CD 4.01Å; W493-K532 HydrophobicContact CH2-CG 4.29Å; W493-K532 HydrophobicContact CZ2-CD 4.1Å
494	T	96.6	Very high	94.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	16%	0.164	C	C	.	.			trans	-98.8	163	170.2	65.4	0	0	0	0	109.6	A487 Q488 G492 L496 H497 C498 A520	A487-T494 WeakPolarHBondContact O-CA 3.42Å; Q488-T494 HydrophobicContact CG-CG2 3.83Å; G492-T494 PolarHBondContact O-N 3.31Å; T494-L496 PolarHBondContact O-N 3.47Å; T494-L496 PolarHBondContact OG1-N 3.23Å; T494-H497 PolarHBondContact N-ND1 3.11Å; T494-H497 VanDerWaalsContact N-ND1 3.17Å; T494-H497 WeakPolarHBondContact O-CB 3.15Å; T494-H497 PolarHBondContact O-N 3.01Å; T494-H497 PolarHBondContact OG1-ND1 2.92Å; T494-C498 PolarHBondContact O-N 3.47Å; T494-A520 HydrophobicContact CG2-CB 3.88Å
495	P	97.6	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-43.9	-37.6	168	-35.9	39	0	0	0	113.9	L463 H464 I467 V485 A487 C498 A499 L511	L463-P495 HydrophobicContact CD2-CB 3.98Å; L463-P495 HydrophobicContact CD2-CG 3.67Å; L463-P495 HydrophobicContact CG-CB 4.16Å; L463-P495 HydrophobicContact CG-CG 4.04Å; H464-P495 WeakPolarHBondContact NE2-CD 3.43Å; I467-P495 HydrophobicContact CD1-CB 3.48Å; I467-P495 VanDerWaalsContact CD1-CB 3.48Å; V485-P495 WeakPolarHBondContact O-CD 3.36Å; V485-P495 WeakPolarHBondContact O-CG 3.28Å; A487-P495 WeakPolarHBondContact O-CD 3.33Å; P495-C498 PolarHBondContact O-N 3.4Å; P495-A499 WeakPolarHBondContact O-CB 3.07Å; P495-A499 PolarHBondContact O-N 3.4Å; P495-L511 HydrophobicContact CB-CD1 4.17Å; P495-L511 HydrophobicContact CB-CD2 4.29Å
496	L	97.4	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.9	-35.2	178.6	-171.3	59.6	0	0	0	113.2	T494 A499 A500 V508 L511 V512 A516 I518 P529 L547	T494-L496 PolarHBondContact O-N 3.47Å; T494-L496 PolarHBondContact OG1-N 3.23Å; L496-A499 PolarHBondContact O-N 3.39Å; L496-A500 VanDerWaalsContact O-CB 3.29Å; L496-A500 WeakPolarHBondContact O-CB 3.31Å; L496-A500 PolarHBondContact O-N 3.22Å; L496-V508 HydrophobicContact CD1-CB 4.47Å; L496-V508 HydrophobicContact CD1-CG1 4.07Å; L496-V508 HydrophobicContact CD1-CG2 4.47Å; L496-L511 HydrophobicContact CD1-CB 4.23Å; L496-L511 HydrophobicContact CD1-CD1 4.34Å; L496-V512 HydrophobicContact CD1-CG2 4.04Å; L496-V512 HydrophobicContact CD2-CG2 4.17Å; L496-A516 HydrophobicContact CB-CB 4.19Å; L496-A516 HydrophobicContact CD2-CB 3.92Å; L496-A516 HydrophobicContact CG-CB 4.47Å; L496-I518 HydrophobicContact CD2-CG2 4.3Å; L496-P529 HydrophobicContact CB-CB 4.45Å; L496-P529 HydrophobicContact CB-CG 4.18Å; L496-P529 HydrophobicContact CD2-CB 4.15Å; L496-P529 HydrophobicContact CD2-CG 3.87Å; L496-P529 HydrophobicContact CG-CB 3.78Å; L496-P529 HydrophobicContact CG-CG 3.83Å; L496-L547 HydrophobicContact CD1-CD2 4.41Å; L496-L547 HydrophobicContact CD2-CD2 4.43Å
497	H	96.5	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-45.5	173	-68.4	91.1	0	0	0	111	W493 T494 A499 A500 S501 A520 E527 P529	W493-H497 HydrophobicContact CB-CB 4.31Å; W493-H497 HydrophobicContact CD2-CB 4Å; W493-H497 HydrophobicContact CE3-CB 3.45Å; W493-H497 VanDerWaalsContact CE3-CB 3.45Å; W493-H497 HydrophobicContact CG-CB 4.4Å; W493-H497 HydrophobicContact CZ3-CB 4.02Å; T494-H497 PolarHBondContact N-ND1 3.11Å; T494-H497 VanDerWaalsContact N-ND1 3.17Å; T494-H497 WeakPolarHBondContact O-CB 3.15Å; T494-H497 PolarHBondContact O-N 3.01Å; T494-H497 PolarHBondContact OG1-ND1 2.92Å; H497-A499 VanDerWaalsContact C-N 3.34Å; H497-A499 PolarHBondContact O-N 3.14Å; H497-A500 PolarHBondContact O-N 3.18Å; H497-S501 PolarHBondContact O-N 3.44Å; H497-S501 PolarHBondContact O-OG 3.36Å; H497-A520 PolarHBondContact CE1-O 2.98Å; H497-A520 PolarHBondContact NE2-O 3.31Å; H497-E527 PolarHBondContact NE2-O 3.46Å; H497-E527 VanDerWaalsContact NE2-O 3.17Å; H497-P529 WeakPolarHBondContact NE2-CD 3.03Å
498	C	95.7	Very high	94.4	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-43	176.2	-60.4	0	0	0	0	111.7	I467 T494 P495 A500 S501 C502	I467-C498 HydrophobicContact CB-CB 4.5Å; I467-C498 HydrophobicContact CG2-CB 3.79Å; T494-C498 PolarHBondContact O-N 3.47Å; P495-C498 PolarHBondContact O-N 3.4Å; C498-A500 VanDerWaalsContact C-N 3.3Å; C498-A500 PolarHBondContact O-N 2.92Å; C498-S501 PolarHBondContact O-N 3.07Å; C498-S501 PolarHBondContact O-OG 2.98Å; C498-C502 WeakPolarHBondContact O-CB 3.48Å; C498-C502 PolarHBondContact O-N 3.15Å; C498-C502 PolarHBondContact O-SG 3.24Å
499	A	95.9	Very high	94.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-37.2	178.8	0	0	0	0	0	112.1	I467 P495 L496 H497 N503 N504 I507 V508 L511	I467-A499 HydrophobicContact CG2-CB 3.72Å; P495-A499 WeakPolarHBondContact O-CB 3.07Å; P495-A499 PolarHBondContact O-N 3.4Å; L496-A499 PolarHBondContact O-N 3.39Å; H497-A499 VanDerWaalsContact C-N 3.34Å; H497-A499 PolarHBondContact O-N 3.14Å; A499-N503 PolarHBondContact O-N 3.28Å; A499-N504 PolarHBondContact O-N 2.88Å; A499-I507 HydrophobicContact CB-CB 4.41Å; A499-I507 HydrophobicContact CB-CG2 3.68Å; A499-V508 HydrophobicContact CB-CG2 3.73Å; A499-L511 HydrophobicContact CB-CD1 3.79Å
500	A	94.6	Very high	94.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70	-42.8	176.7	0	0	0	0	0	112.4	L496 H497 C498 C502 N503 P529 L547	L496-A500 VanDerWaalsContact O-CB 3.29Å; L496-A500 WeakPolarHBondContact O-CB 3.31Å; L496-A500 PolarHBondContact O-N 3.22Å; H497-A500 PolarHBondContact O-N 3.18Å; C498-A500 VanDerWaalsContact C-N 3.3Å; C498-A500 PolarHBondContact O-N 2.92Å; A500-C502 VanDerWaalsContact C-N 3.33Å; A500-C502 PolarHBondContact O-N 3.43Å; A500-N503 WeakPolarHBondContact O-CA 3.12Å; A500-N503 PolarHBondContact O-N 3.02Å; A500-P529 HydrophobicContact CB-CB 4.17Å; A500-P529 WeakPolarHBondContact CB-O 3.26Å; A500-L547 HydrophobicContact CB-CD1 4Å
501	S	93	Very high	94.4	Very high	40 Å²	40	25.5 Å²	25.5	28%	0.28	14%	0.139	S	C	.	.	H	α-helix	trans	-68.1	-32	176.6	66.1	0	0	0	0	112.8	H497 C498 N503 K532	H497-S501 PolarHBondContact O-N 3.44Å; H497-S501 PolarHBondContact O-OG 3.36Å; C498-S501 PolarHBondContact O-N 3.07Å; C498-S501 PolarHBondContact O-OG 2.98Å; S501-N503 PolarHBondContact O-N 3.15Å; S501-K532 WeakPolarHBondContact CA-O 3.43Å
502	C	92	Very high	94.5	Very high	58 Å²	58	21.4 Å²	21.4	39%	0.392	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.3	172	-64.4	0	0	0	0	112.9	C498 A500 N504	C498-C502 WeakPolarHBondContact O-CB 3.48Å; C498-C502 PolarHBondContact O-N 3.15Å; C498-C502 PolarHBondContact O-SG 3.24Å; A500-C502 VanDerWaalsContact C-N 3.33Å; A500-C502 PolarHBondContact O-N 3.43Å; C502-N504 PolarHBondContact O-N 3.47Å; C502-N504 VanDerWaalsContact O-N 3.1Å
503	N	89.9	Confident	94.3	Very high	21 Å²	21	24.9 Å²	24.9	11%	0.112	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	41.2	-177	-151.6	78.9	0	0	0	115.1	A499 A500 S501 L505 F540 C543	A499-N503 PolarHBondContact O-N 3.28Å; A500-N503 WeakPolarHBondContact O-CA 3.12Å; A500-N503 PolarHBondContact O-N 3.02Å; S501-N503 PolarHBondContact O-N 3.15Å; N503-L505 PolarHBondContact O-N 3.44Å; N503-F540 HydrophobicContact CB-CB 4.11Å; N503-F540 HydrophobicContact CB-CD1 3.78Å; N503-F540 HydrophobicContact CB-CG 4.14Å; N503-F540 VanDerWaalsContact CG-CB 3.41Å; N503-F540 VanDerWaalsContact CG-O 3.25Å; N503-F540 VanDerWaalsContact ND2-CA 3.26Å; N503-F540 WeakPolarHBondContact ND2-CA 3.27Å; N503-F540 WeakPolarHBondContact ND2-CB 3.48Å; N503-F540 WeakPolarHBondContact ND2-CD1 3.4Å; N503-F540 PolarHBondContact ND2-O 3.28Å; N503-F540 PolarHBondContact OD1-O 3.5Å; N503-C543 VanDerWaalsContact CG-SG 3.6Å; N503-C543 PolarHBondContact ND2-SG 3.45Å; N503-C543 VanDerWaalsContact ND2-SG 3.39Å; N503-C543 PolarHBondContact O-SG 3.49Å; N503-C543 VanDerWaalsContact OD1-CB 3.27Å; N503-C543 WeakPolarHBondContact OD1-CB 3.21Å
504	N	92.1	Very high	94.1	Very high	37 Å²	37	24.5 Å²	24.5	20%	0.198	13%	0.134	C	C	.	.			trans	-95.8	85.5	-176.8	-167.5	-36.7	0	0	0	111.1	A499 C502 P506 I507 V508	A499-N504 PolarHBondContact O-N 2.88Å; C502-N504 PolarHBondContact O-N 3.47Å; C502-N504 VanDerWaalsContact O-N 3.1Å; N504-P506 VanDerWaalsContact OD1-CD 3.31Å; N504-P506 WeakPolarHBondContact OD1-CD 3.3Å; N504-I507 HydrophobicContact CB-CB 4.21Å; N504-I507 HydrophobicContact CB-CD1 4.27Å; N504-I507 HydrophobicContact CB-CG1 4.43Å; N504-I507 WeakPolarHBondContact ND2-CD1 3.41Å; N504-I507 PolarHBondContact O-N 2.95Å; N504-I507 VanDerWaalsContact O-N 3.12Å; N504-I507 WeakPolarHBondContact OD1-CG1 3.11Å; N504-I507 PolarHBondContact OD1-N 3.12Å; N504-V508 WeakPolarHBondContact O-CG2 3.3Å; N504-V508 PolarHBondContact O-N 3.29Å
505	L	92.3	Very high	93.8	Very high	48 Å²	48	25 Å²	25	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-55.6	-43.1	-175.7	-176.9	63.8	0	0	0	114.1	N503 I507 V508 K509 C543 F546	N503-L505 PolarHBondContact O-N 3.44Å; L505-I507 PolarHBondContact O-N 3.17Å; L505-V508 PolarHBondContact O-N 3.43Å; L505-K509 HydrophobicContact CD1-CD 4.41Å; L505-K509 HydrophobicContact CD1-CG 4.17Å; L505-K509 HydrophobicContact CG-CD 4.32Å; L505-K509 HydrophobicContact CG-CG 4.47Å; L505-K509 WeakPolarHBondContact O-CG 3.43Å; L505-K509 PolarHBondContact O-N 2.96Å; L505-C543 WeakPolarHBondContact CA-SG 3.46Å; L505-C543 VanDerWaalsContact CB-SG 3.58Å; L505-C543 PolarHBondContact N-SG 2.88Å; L505-F546 HydrophobicContact CD1-CB 3.95Å; L505-F546 HydrophobicContact CD1-CD1 4.34Å; L505-F546 HydrophobicContact CD1-CG 4.14Å
506	P	94	Very high	93.7	Very high	79 Å²	79	25 Å²	25	51%	0.513	14%	0.14	S	C	.	.	H	α-helix	trans	-56	-45.3	174.3	-27.9	35.2	0	0	0	113.8	Y472 N504 F510	Y472-P506 HydrophobicContact CD2-CB 4.5Å; N504-P506 VanDerWaalsContact OD1-CD 3.31Å; N504-P506 WeakPolarHBondContact OD1-CD 3.3Å; P506-F510 WeakPolarHBondContact O-CB 3.32Å; P506-F510 PolarHBondContact O-N 2.96Å; P506-F510 VanDerWaalsContact O-N 3.1Å
507	I	95.9	Very high	93.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.8	-44	177.3	-67.8	178.6	0	0	0	110.6	I467 Y472 V475 A499 N504 L505 K509 F510 L511	I467-I507 HydrophobicContact CD1-CG2 4.48Å; I467-I507 HydrophobicContact CG1-CG2 4Å; I467-I507 HydrophobicContact CG2-CG2 4.25Å; Y472-I507 HydrophobicContact CD2-CG1 3.89Å; V475-I507 HydrophobicContact CG1-CG2 4.31Å; V475-I507 HydrophobicContact CG2-CD1 4.24Å; A499-I507 HydrophobicContact CB-CB 4.41Å; A499-I507 HydrophobicContact CB-CG2 3.68Å; N504-I507 HydrophobicContact CB-CB 4.21Å; N504-I507 HydrophobicContact CB-CD1 4.27Å; N504-I507 HydrophobicContact CB-CG1 4.43Å; N504-I507 WeakPolarHBondContact ND2-CD1 3.41Å; N504-I507 PolarHBondContact O-N 2.95Å; N504-I507 VanDerWaalsContact O-N 3.12Å; N504-I507 WeakPolarHBondContact OD1-CG1 3.11Å; N504-I507 PolarHBondContact OD1-N 3.12Å; L505-I507 PolarHBondContact O-N 3.17Å; I507-K509 VanDerWaalsContact C-N 3.35Å; I507-K509 PolarHBondContact O-N 3.16Å; I507-F510 PolarHBondContact O-N 2.88Å; I507-L511 HydrophobicContact CG2-CD1 3.79Å; I507-L511 HydrophobicContact CG2-CG 4.13Å; I507-L511 WeakPolarHBondContact O-CG 3.23Å; I507-L511 PolarHBondContact O-N 3.13Å
508	V	94.6	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.1	-50.2	177.3	167.8	0	0	0	0	110.9	L496 A499 N504 L505 F510 L511 V512 F546 L547	L496-V508 HydrophobicContact CD1-CB 4.47Å; L496-V508 HydrophobicContact CD1-CG1 4.07Å; L496-V508 HydrophobicContact CD1-CG2 4.47Å; A499-V508 HydrophobicContact CB-CG2 3.73Å; N504-V508 WeakPolarHBondContact O-CG2 3.3Å; N504-V508 PolarHBondContact O-N 3.29Å; L505-V508 PolarHBondContact O-N 3.43Å; V508-F510 PolarHBondContact O-N 3.25Å; V508-L511 PolarHBondContact O-N 2.96Å; V508-V512 VanDerWaalsContact O-CG2 3.3Å; V508-V512 WeakPolarHBondContact O-CG2 3.47Å; V508-V512 PolarHBondContact O-N 2.94Å; V508-F546 HydrophobicContact CG1-CD1 3.76Å; V508-F546 HydrophobicContact CG1-CE1 3.95Å; V508-L547 HydrophobicContact CG1-CD1 4.28Å; V508-L547 HydrophobicContact CG1-CD2 3.85Å; V508-L547 HydrophobicContact CG1-CG 4.04Å
509	K	93.2	Very high	93.3	Very high	88 Å²	88	25.6 Å²	25.6	38%	0.383	14%	0.142	S	C	.	.	H	α-helix	trans	-59.9	-46.9	177.8	-74.8	-179.8	177	179.5	0	111.7	L505 I507 L511 V512 E513 F546	L505-K509 HydrophobicContact CD1-CD 4.41Å; L505-K509 HydrophobicContact CD1-CG 4.17Å; L505-K509 HydrophobicContact CG-CD 4.32Å; L505-K509 HydrophobicContact CG-CG 4.47Å; L505-K509 WeakPolarHBondContact O-CG 3.43Å; L505-K509 PolarHBondContact O-N 2.96Å; I507-K509 VanDerWaalsContact C-N 3.35Å; I507-K509 PolarHBondContact O-N 3.16Å; K509-L511 PolarHBondContact O-N 2.9Å; K509-V512 PolarHBondContact O-N 2.91Å; K509-E513 WeakPolarHBondContact O-CB 3.15Å; K509-E513 VanDerWaalsContact O-CG 3.3Å; K509-E513 WeakPolarHBondContact O-CG 3.46Å; K509-E513 PolarHBondContact O-N 2.99Å; K509-F546 HydrophobicContact CG-CD1 4.49Å; K509-F546 HydrophobicContact CG-CE1 4.05Å; K509-F546 HydrophobicContact CG-CE2 4.11Å; K509-F546 HydrophobicContact CG-CZ 3.84Å
510	F	94.1	Very high	93.2	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.048	14%	0.144	C	C	.	.	H	α-helix	trans	-59.2	-46.9	179.2	-179.7	-99.2	0	0	0	111.8	Y472 V475 R476 V479 P506 I507 V508 V512 E513 H514	Y472-F510 HydrophobicContact CE2-CB 4.1Å; Y472-F510 HydrophobicContact CE2-CG 4.27Å; V475-F510 HydrophobicContact CG1-CD1 4.14Å; V475-F510 HydrophobicContact CG1-CE1 4.27Å; R476-F510 HydrophobicContact CB-CE1 4.44Å; R476-F510 HydrophobicContact CB-CE2 4.49Å; R476-F510 HydrophobicContact CB-CZ 4.06Å; R476-F510 HydrophobicContact CG-CE2 4.06Å; R476-F510 HydrophobicContact CG-CZ 3.86Å; V479-F510 HydrophobicContact CB-CE1 3.75Å; V479-F510 HydrophobicContact CB-CZ 4.14Å; V479-F510 HydrophobicContact CG1-CE1 3.97Å; V479-F510 HydrophobicContact CG1-CZ 4.18Å; V479-F510 HydrophobicContact CG2-CE1 3.85Å; P506-F510 WeakPolarHBondContact O-CB 3.32Å; P506-F510 PolarHBondContact O-N 2.96Å; P506-F510 VanDerWaalsContact O-N 3.1Å; I507-F510 PolarHBondContact O-N 2.88Å; V508-F510 PolarHBondContact O-N 3.25Å; F510-V512 PolarHBondContact O-N 3.33Å; F510-E513 WeakPolarHBondContact O-CB 3.48Å; F510-E513 PolarHBondContact O-N 3.22Å; F510-H514 AromaticContact CD2-CE1 3.5Å; F510-H514 VanDerWaalsContact CD2-CE1 3.5Å; F510-H514 WeakPolarHBondContact CD2-CE1 3.42Å; F510-H514 AromaticContact CD2-ND1 3.78Å; F510-H514 AromaticContact CE2-CE1 3.1Å; F510-H514 WeakPolarHBondContact CE2-CE1 3.47Å; F510-H514 AromaticContact CE2-ND1 3.67Å; F510-H514 AromaticContact CE2-NE2 3.68Å; F510-H514 AromaticContact CZ-CE1 3.52Å; F510-H514 AromaticContact CZ-ND1 3.84Å; F510-H514 AromaticContact CZ-NE2 3.77Å; F510-H514 PolarHBondContact O-N 3.01Å; F510-H514 VanDerWaalsContact O-N 3.13Å; F510-H514 PolarHBondContact O-ND1 2.99Å
511	L	95.4	Very high	93.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-43.3	178.3	-70	172.9	0	0	0	112.3	I467 V479 V485 P495 L496 A499 I507 V508 K509 E513 H514 G515 A516	I467-L511 HydrophobicContact CD1-CD1 3.86Å; I467-L511 HydrophobicContact CD1-CD2 4.37Å; V479-L511 HydrophobicContact CG2-CD2 4.38Å; V485-L511 HydrophobicContact CG1-CD2 4.33Å; P495-L511 HydrophobicContact CB-CD1 4.17Å; P495-L511 HydrophobicContact CB-CD2 4.29Å; L496-L511 HydrophobicContact CD1-CB 4.23Å; L496-L511 HydrophobicContact CD1-CD1 4.34Å; A499-L511 HydrophobicContact CB-CD1 3.79Å; I507-L511 HydrophobicContact CG2-CD1 3.79Å; I507-L511 HydrophobicContact CG2-CG 4.13Å; I507-L511 WeakPolarHBondContact O-CG 3.23Å; I507-L511 PolarHBondContact O-N 3.13Å; V508-L511 PolarHBondContact O-N 2.96Å; K509-L511 PolarHBondContact O-N 2.9Å; L511-E513 VanDerWaalsContact C-N 3.33Å; L511-E513 PolarHBondContact O-N 2.98Å; L511-H514 CarbonylContact O-C 3.56Å; L511-H514 PolarHBondContact O-N 3.39Å; L511-G515 PolarHBondContact O-N 2.99Å; L511-A516 HydrophobicContact CB-CB 3.97Å; L511-A516 VanDerWaalsContact O-CB 3.22Å; L511-A516 WeakPolarHBondContact O-CB 3.47Å; L511-A516 PolarHBondContact O-N 2.97Å
512	V	93.2	Very high	93.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-40.1	177.5	175.3	0	0	0	0	111.2	L496 V508 K509 F510 H514 G515 I518 F546 L547 L550 L619	L496-V512 HydrophobicContact CD1-CG2 4.04Å; L496-V512 HydrophobicContact CD2-CG2 4.17Å; V508-V512 VanDerWaalsContact O-CG2 3.3Å; V508-V512 WeakPolarHBondContact O-CG2 3.47Å; V508-V512 PolarHBondContact O-N 2.94Å; K509-V512 PolarHBondContact O-N 2.91Å; F510-V512 PolarHBondContact O-N 3.33Å; V512-H514 PolarHBondContact O-N 3.45Å; V512-G515 PolarHBondContact O-N 2.87Å; V512-I518 HydrophobicContact CG1-CG2 4.31Å; V512-I518 HydrophobicContact CG2-CG2 4.13Å; V512-F546 HydrophobicContact CB-CE1 4.48Å; V512-F546 HydrophobicContact CG2-CE1 4.18Å; V512-L547 HydrophobicContact CG2-CD2 4.32Å; V512-L550 HydrophobicContact CG1-CD2 3.41Å; V512-L550 VanDerWaalsContact CG1-CD2 3.41Å; V512-L550 HydrophobicContact CG2-CD2 4.45Å; V512-L619 HydrophobicContact CB-CD1 4.18Å; V512-L619 HydrophobicContact CG1-CD1 3.46Å; V512-L619 VanDerWaalsContact CG1-CD1 3.46Å; V512-L619 HydrophobicContact CG1-CG 4.08Å
513	E	90.7	Very high	93.2	Very high	74 Å²	74	27.5 Å²	27.5	35%	0.346	15%	0.15	S	C	.	.	H	α-helix	trans	-61.5	-25.8	173.8	-74	172.1	-178.7	0	0	112.8	K509 F510 L511 L619 F620 M622	K509-E513 WeakPolarHBondContact O-CB 3.15Å; K509-E513 VanDerWaalsContact O-CG 3.3Å; K509-E513 WeakPolarHBondContact O-CG 3.46Å; K509-E513 PolarHBondContact O-N 2.99Å; F510-E513 WeakPolarHBondContact O-CB 3.48Å; F510-E513 PolarHBondContact O-N 3.22Å; L511-E513 VanDerWaalsContact C-N 3.33Å; L511-E513 PolarHBondContact O-N 2.98Å; E513-L619 HydrophobicContact CG-CB 4.33Å; E513-L619 HydrophobicContact CG-CD1 3.76Å; E513-F620 HydrophobicContact CG-CD2 4.44Å; E513-F620 HydrophobicContact CG-CE2 4.18Å; E513-M622 WeakPolarHBondContact O-CE 3.41Å
514	H	91.7	Very high	93.1	Very high	48 Å²	48	30.3 Å²	30.3	22%	0.222	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	20	-178.7	-66.7	73.7	0	0	0	113.5	V479 V485 F510 L511 V512	V479-H514 HydrophobicContact CG1-CB 3.78Å; V485-H514 HydrophobicContact CG1-CB 4.38Å; V485-H514 WeakPolarHBondContact CG2-O 3.48Å; F510-H514 AromaticContact CD2-CE1 3.5Å; F510-H514 VanDerWaalsContact CD2-CE1 3.5Å; F510-H514 WeakPolarHBondContact CD2-CE1 3.42Å; F510-H514 AromaticContact CD2-ND1 3.78Å; F510-H514 AromaticContact CE2-CE1 3.1Å; F510-H514 WeakPolarHBondContact CE2-CE1 3.47Å; F510-H514 AromaticContact CE2-ND1 3.67Å; F510-H514 AromaticContact CE2-NE2 3.68Å; F510-H514 AromaticContact CZ-CE1 3.52Å; F510-H514 AromaticContact CZ-ND1 3.84Å; F510-H514 AromaticContact CZ-NE2 3.77Å; F510-H514 PolarHBondContact O-N 3.01Å; F510-H514 VanDerWaalsContact O-N 3.13Å; F510-H514 PolarHBondContact O-ND1 2.99Å; L511-H514 CarbonylContact O-C 3.56Å; L511-H514 PolarHBondContact O-N 3.39Å; V512-H514 PolarHBondContact O-N 3.45Å
515	G	90.9	Very high	92.9	Very high	13 Å²	13	31.7 Å²	31.7	13%	0.134	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	20.4	169.6	0	0	0	0	0	115.5	N486 L511 V512 C517 A616	N486-G515 PolarHBondContact ND2-O 3.22Å; L511-G515 PolarHBondContact O-N 2.99Å; V512-G515 PolarHBondContact O-N 2.87Å; G515-C517 PolarHBondContact O-N 3.35Å; G515-A616 VanDerWaalsContact O-CB 3.32Å; G515-A616 WeakPolarHBondContact O-CB 3.25Å
516	A	94.1	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.			trans	-65.1	133.7	172.6	0	0	0	0	0	112.1	N486 L496 L511 I518	N486-A516 WeakPolarHBondContact OD1-CA 3.27Å; L496-A516 HydrophobicContact CB-CB 4.19Å; L496-A516 HydrophobicContact CD2-CB 3.92Å; L496-A516 HydrophobicContact CG-CB 4.47Å; L511-A516 HydrophobicContact CB-CB 3.97Å; L511-A516 VanDerWaalsContact O-CB 3.22Å; L511-A516 WeakPolarHBondContact O-CB 3.47Å; L511-A516 PolarHBondContact O-N 2.97Å; A516-I518 PolarHBondContact O-N 3.23Å
517	C	94.6	Very high	92.8	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	19%	0.191	C	C	.	.			trans	-73.3	107.6	178.2	-71.7	0	0	0	0	111.1	N486 G515 F519 A520	N486-C517 PolarHBondContact OD1-N 2.77Å; G515-C517 PolarHBondContact O-N 3.35Å; C517-F519 VanDerWaalsContact C-N 3.25Å; C517-F519 PolarHBondContact O-N 3.13Å; C517-A520 HydrophobicContact CB-CB 4.02Å; C517-A520 WeakPolarHBondContact O-CB 3.45Å; C517-A520 PolarHBondContact O-N 3.25Å
518	I	93.5	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.5	-175.5	69.3	170.4	0	0	0	114.3	L496 V512 A516 L550 Q551 M554 V617	L496-I518 HydrophobicContact CD2-CG2 4.3Å; V512-I518 HydrophobicContact CG1-CG2 4.31Å; V512-I518 HydrophobicContact CG2-CG2 4.13Å; A516-I518 PolarHBondContact O-N 3.23Å; I518-L550 HydrophobicContact CD1-CB 4.45Å; I518-L550 HydrophobicContact CD1-CD2 4.3Å; I518-L550 HydrophobicContact CD1-CG 3.91Å; I518-L550 HydrophobicContact CG2-CD2 3.89Å; I518-Q551 HydrophobicContact CD1-CB 4.44Å; I518-Q551 HydrophobicContact CD1-CG 3.92Å; I518-Q551 HydrophobicContact CG1-CG 4.26Å; I518-Q551 PolarHBondContact O-NE2 3.35Å; I518-M554 HydrophobicContact CD1-CB 3.9Å; I518-M554 HydrophobicContact CD1-CG 4.25Å; I518-M554 HydrophobicContact CD1-SD 3.36Å; I518-M554 WeakPolarHBondContact CD1-SD 3.31Å; I518-M554 HydrophobicContact CG1-SD 3.58Å; I518-M554 VanDerWaalsContact CG1-SD 3.58Å; I518-V617 HydrophobicContact CD1-CG2 3.83Å; I518-V617 HydrophobicContact CG1-CG2 4.47Å
519	F	93.6	Very high	92.8	Very high	16 Å²	16	36.8 Å²	36.8	7%	0.07	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	8.4	176.7	-70.7	-66.7	0	0	0	112.2	C517 A521 Q551 M554 W597 R612 N613	C517-F519 VanDerWaalsContact C-N 3.25Å; C517-F519 PolarHBondContact O-N 3.13Å; F519-A521 PolarHBondContact O-N 3.19Å; F519-Q551 HydrophobicContact CD1-CG 4.1Å; F519-Q551 HydrophobicContact CE1-CB 3.68Å; F519-Q551 HydrophobicContact CE1-CG 3.61Å; F519-Q551 HydrophobicContact CZ-CB 3.7Å; F519-Q551 HydrophobicContact CZ-CG 3.92Å; F519-Q551 WeakPolarHBondContact CZ-O 3.46Å; F519-M554 HydrophobicContact CD2-SD 3.77Å; F519-M554 HydrophobicContact CE2-CB 4.2Å; F519-M554 HydrophobicContact CE2-CG 4.22Å; F519-M554 HydrophobicContact CE2-SD 3.54Å; F519-M554 VanDerWaalsContact CE2-SD 3.54Å; F519-W597 HydrophobicContact CD2-CH2 4.38Å; F519-W597 AromaticContact CE2-CH2 3.52Å; F519-W597 HydrophobicContact CE2-CH2 3.52Å; F519-W597 AromaticContact CE2-CZ2 3.84Å; F519-W597 HydrophobicContact CE2-CZ2 3.84Å; F519-W597 HydrophobicContact CE2-CZ3 4.42Å; F519-W597 HydrophobicContact CZ-CH2 4.08Å; F519-W597 HydrophobicContact CZ-CZ2 4.03Å; F519-R612 HydrophobicContact CB-CG 4.14Å; F519-R612 HydrophobicContact CD2-CB 4.47Å; F519-R612 HydrophobicContact CD2-CG 4.35Å; F519-R612 HydrophobicContact CG-CG 4.15Å; F519-N613 HydrophobicContact CB-CB 4.35Å; F519-N613 WeakPolarHBondContact O-CA 3.42Å; F519-N613 WeakPolarHBondContact O-CB 3.24Å
520	A	94.5	Very high	92.8	Very high	7 Å²	7	32.8 Å²	32.8	6%	0.058	18%	0.179	C	C	.	.			trans	-50.7	139.9	171.8	0	0	0	0	0	108.9	T494 H497 C517 T528 P529	T494-A520 HydrophobicContact CG2-CB 3.88Å; H497-A520 PolarHBondContact CE1-O 2.98Å; H497-A520 PolarHBondContact NE2-O 3.31Å; C517-A520 HydrophobicContact CB-CB 4.02Å; C517-A520 WeakPolarHBondContact O-CB 3.45Å; C517-A520 PolarHBondContact O-N 3.25Å; A520-T528 WeakPolarHBondContact O-CA 3.39Å; A520-P529 VanDerWaalsContact O-CD 3.31Å; A520-P529 WeakPolarHBondContact O-CD 3.21Å
521	A	92.5	Very high	92.7	Very high	30 Å²	30	36.8 Å²	36.8	25%	0.248	20%	0.2	C	C	.	.			trans	-121.4	134.8	-177.2	0	0	0	0	0	109.2	F519 E527	F519-A521 PolarHBondContact O-N 3.19Å; A521-E527 WeakPolarHBondContact CA-O 3.41Å
522	T	93.5	Very high	92.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	21%	0.208	C	C	.	.			trans	-61.8	155.7	170	53	0	0	0	0	111.4	W493 D525 Q526 E527	W493-T522 HydrophobicContact CG-CG2 4.37Å; T522-D525 VanDerWaalsContact CB-OD1 3.27Å; T522-D525 WeakPolarHBondContact CB-OD1 3.16Å; T522-D525 PolarHBondContact OG1-OD1 3.19Å; T522-Q526 VanDerWaalsContact O-CA 3.28Å; T522-Q526 WeakPolarHBondContact O-CA 3.24Å; T522-Q526 PolarHBondContact O-N 3.18Å; T522-Q526 PolarHBondContact OG1-N 3.17Å; T522-E527 PolarHBondContact N-O 3.12Å; T522-E527 VanDerWaalsContact N-O 3.08Å; T522-E527 PolarHBondContact OG1-N 3.14Å; T522-E527 PolarHBondContact OG1-O 3.13Å
523	L	92.2	Very high	92.4	Very high	99 Å²	99	38.9 Å²	38.9	52%	0.518	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-30.1	179.2	-63.8	176.6	0	0	0	112.5	D491	D491-L523 WeakPolarHBondContact O-CB 3.49Å; D491-L523 PolarHBondContact O-N 2.91Å
524	S	88.6	Confident	91.7	Very high	80 Å²	80	39.6 Å²	39.6	56%	0.559	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-46.8	-176.7	39.2	0	0	0	0	113.2
525	D	88.7	Confident	90.6	Very high	66 Å²	66	44 Å²	44	35%	0.353	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-4.8	-164.2	42.7	-6	0	0	0	113.5	T522 E527 K532	T522-D525 VanDerWaalsContact CB-OD1 3.27Å; T522-D525 WeakPolarHBondContact CB-OD1 3.16Å; T522-D525 PolarHBondContact OG1-OD1 3.19Å; D525-E527 HydrophobicContact CB-CG 4.01Å; D525-E527 PolarHBondContact O-N 3.43Å; D525-E527 VanDerWaalsContact OD2-CD 3.31Å; D525-K532 IonicContact OD1-NZ 2.95Å; D525-K532 IonicContact OD2-NZ 4Å; D525-K532 PolarHBondContact OD2-NZ 3.1Å
526	Q	91	Very high	89.7	Confident	152 Å²	152	50.8 Å²	50.8	71%	0.71	27%	0.268	S	S	*	.			trans	58.5	33.4	-178.8	-54.4	173.8	37.2	0	0	112.4	T522	T522-Q526 VanDerWaalsContact O-CA 3.28Å; T522-Q526 WeakPolarHBondContact O-CA 3.24Å; T522-Q526 PolarHBondContact O-N 3.18Å; T522-Q526 PolarHBondContact OG1-N 3.17Å
527	E	93.3	Very high	88.3	Confident	68 Å²	68	55 Å²	55	32%	0.318	29%	0.287	S	S	.	.			trans	-89.2	142.1	179.9	-79	-174.9	-180	0	0	110.2	H497 A521 T522 D525 D531 K532	H497-E527 PolarHBondContact NE2-O 3.46Å; H497-E527 VanDerWaalsContact NE2-O 3.17Å; A521-E527 WeakPolarHBondContact CA-O 3.41Å; T522-E527 PolarHBondContact N-O 3.12Å; T522-E527 VanDerWaalsContact N-O 3.08Å; T522-E527 PolarHBondContact OG1-N 3.14Å; T522-E527 PolarHBondContact OG1-O 3.13Å; D525-E527 HydrophobicContact CB-CG 4.01Å; D525-E527 PolarHBondContact O-N 3.43Å; D525-E527 VanDerWaalsContact OD2-CD 3.31Å; E527-D531 HydrophobicContact CB-CB 3.88Å; E527-D531 HydrophobicContact CG-CB 3.98Å; E527-K532 HydrophobicContact CB-CD 4.43Å; E527-K532 WeakPolarHBondContact OE2-CD 3.49Å; E527-K532 WeakPolarHBondContact OE2-CE 3.44Å; E527-K532 IonicContact OE2-NZ 3.98Å; E527-K532 PolarHBondContact OE2-NZ 3.01Å
528	T	94.6	Very high	86.8	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.086	33%	0.33	C	S	.	.			trans	-83.8	167	173.8	70.2	0	0	0	0	110.9	A520 A530 D531 K532 Q551	A520-T528 WeakPolarHBondContact O-CA 3.39Å; T528-A530 PolarHBondContact O-N 3.03Å; T528-A530 VanDerWaalsContact O-N 3.12Å; T528-A530 PolarHBondContact OG1-N 3.07Å; T528-D531 WeakPolarHBondContact CB-OD2 3.36Å; T528-D531 PolarHBondContact N-OD2 2.92Å; T528-D531 WeakPolarHBondContact O-CB 3.33Å; T528-D531 PolarHBondContact O-N 2.86Å; T528-D531 PolarHBondContact OG1-OD2 3.35Å; T528-K532 PolarHBondContact O-N 2.87Å; T528-Q551 PolarHBondContact OG1-NE2 3.04Å; T528-Q551 VanDerWaalsContact OG1-NE2 3.09Å
529	P	94.5	Very high	85.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.1	173.1	-26.7	34.7	0	0	0	113.4	L496 H497 A500 A520 K532 L547	L496-P529 HydrophobicContact CB-CB 4.45Å; L496-P529 HydrophobicContact CB-CG 4.18Å; L496-P529 HydrophobicContact CD2-CB 4.15Å; L496-P529 HydrophobicContact CD2-CG 3.87Å; L496-P529 HydrophobicContact CG-CB 3.78Å; L496-P529 HydrophobicContact CG-CG 3.83Å; H497-P529 WeakPolarHBondContact NE2-CD 3.03Å; A500-P529 HydrophobicContact CB-CB 4.17Å; A500-P529 WeakPolarHBondContact CB-O 3.26Å; A520-P529 VanDerWaalsContact O-CD 3.31Å; A520-P529 WeakPolarHBondContact O-CD 3.21Å; P529-K532 PolarHBondContact O-N 2.7Å; P529-L547 HydrophobicContact CB-CD1 4.1Å
530	A	93	Very high	84.3	Confident	4 Å²	4	70.8 Å²	70.8	3%	0.033	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-39.2	175.9	0	0	0	0	0	112.2	T528 K532 C533 L547 V548	T528-A530 PolarHBondContact O-N 3.03Å; T528-A530 VanDerWaalsContact O-N 3.12Å; T528-A530 PolarHBondContact OG1-N 3.07Å; A530-K532 PolarHBondContact O-N 3.5Å; A530-C533 WeakPolarHBondContact O-CB 3.34Å; A530-C533 PolarHBondContact O-N 3.17Å; A530-L547 HydrophobicContact CB-CB 3.82Å; A530-V548 HydrophobicContact CB-CG2 4Å
531	D	92.2	Very high	83.6	Confident	95 Å²	95	74.4 Å²	74.4	51%	0.508	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.5	178.2	-55	-57.4	0	0	0	111.6	E527 T528 C533	E527-D531 HydrophobicContact CB-CB 3.88Å; E527-D531 HydrophobicContact CG-CB 3.98Å; T528-D531 WeakPolarHBondContact CB-OD2 3.36Å; T528-D531 PolarHBondContact N-OD2 2.92Å; T528-D531 WeakPolarHBondContact O-CB 3.33Å; T528-D531 PolarHBondContact O-N 2.86Å; T528-D531 PolarHBondContact OG1-OD2 3.35Å; D531-C533 VanDerWaalsContact C-N 3.32Å
532	K	91.5	Very high	83.2	Confident	35 Å²	35	74.5 Å²	74.5	15%	0.152	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.7	174.9	-66.2	-54	-173.5	-169.4	0	115	W493 S501 D525 E527 T528 P529 A530 E534	W493-K532 HydrophobicContact CH2-CD 4.01Å; W493-K532 HydrophobicContact CH2-CG 4.29Å; W493-K532 HydrophobicContact CZ2-CD 4.1Å; S501-K532 WeakPolarHBondContact CA-O 3.43Å; D525-K532 IonicContact OD1-NZ 2.95Å; D525-K532 IonicContact OD2-NZ 4Å; D525-K532 PolarHBondContact OD2-NZ 3.1Å; E527-K532 HydrophobicContact CB-CD 4.43Å; E527-K532 WeakPolarHBondContact OE2-CD 3.49Å; E527-K532 WeakPolarHBondContact OE2-CE 3.44Å; E527-K532 IonicContact OE2-NZ 3.98Å; E527-K532 PolarHBondContact OE2-NZ 3.01Å; T528-K532 PolarHBondContact O-N 2.87Å; P529-K532 PolarHBondContact O-N 2.7Å; A530-K532 PolarHBondContact O-N 3.5Å; K532-E534 PolarHBondContact O-N 3.24Å
533	C	90.5	Very high	83	Confident	8 Å²	8	74.3 Å²	74.3	5%	0.054	40%	0.398	C	S	.	.	S	Bend	trans	-68.2	133.2	174.6	-73.6	0	0	0	0	110.6	A530 D531 E535 S544	A530-C533 WeakPolarHBondContact O-CB 3.34Å; A530-C533 PolarHBondContact O-N 3.17Å; D531-C533 VanDerWaalsContact C-N 3.32Å; C533-E535 PolarHBondContact O-N 3.21Å; C533-E535 VanDerWaalsContact O-N 3.11Å; C533-S544 PolarHBondContact SG-N 3.03Å
534	E	77.1	Confident	83	Confident	89 Å²	89	70.3 Å²	70.3	42%	0.416	38%	0.378	S	S	.	.			trans	-74.7	102.1	175.7	-172.9	164.2	-165.4	0	0	110.3	K532 N536 E537	K532-E534 PolarHBondContact O-N 3.24Å; E534-N536 VanDerWaalsContact C-N 3.33Å; E534-E537 HydrophobicContact CG-CG 4.17Å
535	E	69.4	Low	83	Confident	140 Å²	140	71.9 Å²	71.9	65%	0.654	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.3	-178.3	-59.9	-169.1	153.2	0	0	113.5	C533 E537	C533-E535 PolarHBondContact O-N 3.21Å; C533-E535 VanDerWaalsContact O-N 3.11Å; E535-E537 VanDerWaalsContact C-N 3.34Å; E535-E537 PolarHBondContact O-N 3.37Å
536	N	70.2	Confident	83.2	Confident	157 Å²	157	71.1 Å²	71.1	84%	0.84	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.6	-169.2	-66.4	-36.4	0	0	0	114.1	E534	E534-N536 VanDerWaalsContact C-N 3.33Å
537	E	66.1	Low	83.2	Confident	88 Å²	88	63.9 Å²	63.9	41%	0.411	34%	0.337	S	S	.	.	S	Bend	trans	-96.7	118.8	-178.4	-63.4	-162.7	155	0	0	112	E534 E535 G539 F540	E534-E537 HydrophobicContact CG-CG 4.17Å; E535-E537 VanDerWaalsContact C-N 3.34Å; E535-E537 PolarHBondContact O-N 3.37Å; E537-G539 PolarHBondContact O-N 2.84Å; E537-G539 VanDerWaalsContact O-N 3.12Å; E537-F540 HydrophobicContact CB-CD2 3.47Å; E537-F540 VanDerWaalsContact CB-CD2 3.47Å; E537-F540 HydrophobicContact CB-CE2 4.09Å; E537-F540 HydrophobicContact CB-CG 4.44Å; E537-F540 HydrophobicContact CG-CD2 4.48Å; E537-F540 PolarHBondContact O-N 3.18Å; E537-F540 VanDerWaalsContact OE2-CD2 3.27Å; E537-F540 WeakPolarHBondContact OE2-CD2 3.5Å; E537-F540 WeakPolarHBondContact OE2-CE2 3.19Å
538	E	62.7	Low	83.2	Confident	198 Å²	198	63 Å²	63	93%	0.925	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	111.2	179.7	-167.9	174	-168.7	0	0	110.6
539	G	63.9	Low	83	Confident	68 Å²	68	66.4 Å²	66.4	70%	0.701	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.9	-13.2	-179.1	0	0	0	0	0	114.9	E537	E537-G539 PolarHBondContact O-N 2.84Å; E537-G539 VanDerWaalsContact O-N 3.12Å
540	F	70.1	Confident	82.8	Confident	85 Å²	85	67 Å²	67	37%	0.373	36%	0.357	S	S	.	.			trans	-101.2	-1.1	-174.6	-72.2	-65	0	0	0	114.5	N503 E537 G542 C543	N503-F540 HydrophobicContact CB-CB 4.11Å; N503-F540 HydrophobicContact CB-CD1 3.78Å; N503-F540 HydrophobicContact CB-CG 4.14Å; N503-F540 VanDerWaalsContact CG-CB 3.41Å; N503-F540 VanDerWaalsContact CG-O 3.25Å; N503-F540 VanDerWaalsContact ND2-CA 3.26Å; N503-F540 WeakPolarHBondContact ND2-CA 3.27Å; N503-F540 WeakPolarHBondContact ND2-CB 3.48Å; N503-F540 WeakPolarHBondContact ND2-CD1 3.4Å; N503-F540 PolarHBondContact ND2-O 3.28Å; N503-F540 PolarHBondContact OD1-O 3.5Å; E537-F540 HydrophobicContact CB-CD2 3.47Å; E537-F540 VanDerWaalsContact CB-CD2 3.47Å; E537-F540 HydrophobicContact CB-CE2 4.09Å; E537-F540 HydrophobicContact CB-CG 4.44Å; E537-F540 HydrophobicContact CG-CD2 4.48Å; E537-F540 PolarHBondContact O-N 3.18Å; E537-F540 VanDerWaalsContact OE2-CD2 3.27Å; E537-F540 WeakPolarHBondContact OE2-CD2 3.5Å; E537-F540 WeakPolarHBondContact OE2-CE2 3.19Å; F540-G542 PolarHBondContact O-N 3.01Å; F540-C543 PolarHBondContact O-N 3.5Å
541	I	79.2	Confident	82.7	Confident	84 Å²	84	68.2 Å²	68.2	43%	0.431	36%	0.362	S	S	.	.	H	α-helix	trans	-51.4	-23.8	178.3	-59.6	164.6	0	0	0	114.1	C543 S544 Q545	I541-C543 PolarHBondContact O-N 3.38Å; I541-S544 PolarHBondContact O-N 3.47Å; I541-Q545 VanDerWaalsContact CG2-CD 3.46Å; I541-Q545 HydrophobicContact CG2-CG 3.68Å; I541-Q545 VanDerWaalsContact CG2-NE2 3.27Å; I541-Q545 WeakPolarHBondContact O-CB 3.48Å; I541-Q545 WeakPolarHBondContact O-CG 3.19Å; I541-Q545 PolarHBondContact O-N 2.91Å
542	G	86.2	Confident	82.4	Confident	31 Å²	31	70 Å²	70	32%	0.32	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-35.5	-177.1	0	0	0	0	0	115.3	F540 F546	F540-G542 PolarHBondContact O-N 3.01Å; G542-F546 VanDerWaalsContact O-CB 3.25Å; G542-F546 WeakPolarHBondContact O-CB 3.44Å; G542-F546 PolarHBondContact O-N 3.07Å; G542-F546 VanDerWaalsContact O-N 3.07Å
543	C	89.2	Confident	82.2	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-72.1	-49.8	178.4	-64.1	0	0	0	0	111.6	N503 L505 F540 I541 Q545 F546 L547	N503-C543 VanDerWaalsContact CG-SG 3.6Å; N503-C543 PolarHBondContact ND2-SG 3.45Å; N503-C543 VanDerWaalsContact ND2-SG 3.39Å; N503-C543 PolarHBondContact O-SG 3.49Å; N503-C543 VanDerWaalsContact OD1-CB 3.27Å; N503-C543 WeakPolarHBondContact OD1-CB 3.21Å; L505-C543 WeakPolarHBondContact CA-SG 3.46Å; L505-C543 VanDerWaalsContact CB-SG 3.58Å; L505-C543 PolarHBondContact N-SG 2.88Å; F540-C543 PolarHBondContact O-N 3.5Å; I541-C543 PolarHBondContact O-N 3.38Å; C543-Q545 PolarHBondContact O-N 3.49Å; C543-F546 PolarHBondContact O-N 3.42Å; C543-F546 VanDerWaalsContact O-N 3.16Å; C543-L547 PolarHBondContact O-N 2.83Å
544	S	90.3	Very high	82	Confident	14 Å²	14	75.5 Å²	75.5	10%	0.098	39%	0.386	C	S	.	.	H	α-helix	trans	-55.8	-52.4	177	171.6	0	0	0	0	110.4	C533 I541 F546 L547 V548	C533-S544 PolarHBondContact SG-N 3.03Å; I541-S544 PolarHBondContact O-N 3.47Å; S544-F546 VanDerWaalsContact C-N 3.31Å; S544-F546 PolarHBondContact O-N 3.27Å; S544-L547 PolarHBondContact O-N 3.43Å; S544-V548 WeakPolarHBondContact O-CB 3.42Å; S544-V548 VanDerWaalsContact O-CG2 3.31Å; S544-V548 WeakPolarHBondContact O-CG2 3.22Å; S544-V548 PolarHBondContact O-N 3.25Å
545	Q	90.5	Very high	82.2	Confident	114 Å²	114	71.8 Å²	71.8	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-42.1	177.4	-76.5	-177.8	-6.1	0	0	112.5	I541 C543 N549	I541-Q545 VanDerWaalsContact CG2-CD 3.46Å; I541-Q545 HydrophobicContact CG2-CG 3.68Å; I541-Q545 VanDerWaalsContact CG2-NE2 3.27Å; I541-Q545 WeakPolarHBondContact O-CB 3.48Å; I541-Q545 WeakPolarHBondContact O-CG 3.19Å; I541-Q545 PolarHBondContact O-N 2.91Å; C543-Q545 PolarHBondContact O-N 3.49Å; Q545-N549 WeakPolarHBondContact O-CB 3.18Å; Q545-N549 PolarHBondContact O-N 3.06Å; Q545-N549 PolarHBondContact O-ND2 3.5Å
546	F	91.1	Very high	82.9	Confident	49 Å²	49	70.2 Å²	70.2	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-47.9	178.7	174.3	-101.9	0	0	0	111.8	L505 V508 K509 V512 G542 C543 S544 L550	L505-F546 HydrophobicContact CD1-CB 3.95Å; L505-F546 HydrophobicContact CD1-CD1 4.34Å; L505-F546 HydrophobicContact CD1-CG 4.14Å; V508-F546 HydrophobicContact CG1-CD1 3.76Å; V508-F546 HydrophobicContact CG1-CE1 3.95Å; K509-F546 HydrophobicContact CG-CD1 4.49Å; K509-F546 HydrophobicContact CG-CE1 4.05Å; K509-F546 HydrophobicContact CG-CE2 4.11Å; K509-F546 HydrophobicContact CG-CZ 3.84Å; V512-F546 HydrophobicContact CB-CE1 4.48Å; V512-F546 HydrophobicContact CG2-CE1 4.18Å; G542-F546 VanDerWaalsContact O-CB 3.25Å; G542-F546 WeakPolarHBondContact O-CB 3.44Å; G542-F546 PolarHBondContact O-N 3.07Å; G542-F546 VanDerWaalsContact O-N 3.07Å; C543-F546 PolarHBondContact O-N 3.42Å; C543-F546 VanDerWaalsContact O-N 3.16Å; S544-F546 VanDerWaalsContact C-N 3.31Å; S544-F546 PolarHBondContact O-N 3.27Å; F546-L550 HydrophobicContact CE1-CD2 4.46Å; F546-L550 HydrophobicContact CZ-CD2 4.42Å; F546-L550 VanDerWaalsContact O-CB 3.29Å; F546-L550 WeakPolarHBondContact O-CB 3.47Å; F546-L550 PolarHBondContact O-N 2.95Å
547	L	92.6	Very high	83.4	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69.7	-45.8	-178.1	-69.5	172.6	0	0	0	112.2	L496 A500 V508 V512 P529 A530 C543 S544 L550 Q551	L496-L547 HydrophobicContact CD1-CD2 4.41Å; L496-L547 HydrophobicContact CD2-CD2 4.43Å; A500-L547 HydrophobicContact CB-CD1 4Å; V508-L547 HydrophobicContact CG1-CD1 4.28Å; V508-L547 HydrophobicContact CG1-CD2 3.85Å; V508-L547 HydrophobicContact CG1-CG 4.04Å; V512-L547 HydrophobicContact CG2-CD2 4.32Å; P529-L547 HydrophobicContact CB-CD1 4.1Å; A530-L547 HydrophobicContact CB-CB 3.82Å; C543-L547 PolarHBondContact O-N 2.83Å; S544-L547 PolarHBondContact O-N 3.43Å; L547-L550 WeakPolarHBondContact O-CB 3.33Å; L547-L550 PolarHBondContact O-N 3.13Å; L547-L550 VanDerWaalsContact O-N 3.14Å; L547-Q551 VanDerWaalsContact O-CG 3.32Å; L547-Q551 WeakPolarHBondContact O-CG 3.42Å; L547-Q551 PolarHBondContact O-N 3.21Å
548	V	91.6	Very high	84.2	Confident	51 Å²	51	63.5 Å²	63.5	31%	0.309	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-49.4	177.1	172.9	0	0	0	0	110.8	A530 S544 L550 Q551 E552	A530-V548 HydrophobicContact CB-CG2 4Å; S544-V548 WeakPolarHBondContact O-CB 3.42Å; S544-V548 VanDerWaalsContact O-CG2 3.31Å; S544-V548 WeakPolarHBondContact O-CG2 3.22Å; S544-V548 PolarHBondContact O-N 3.25Å; V548-L550 PolarHBondContact O-N 3.39Å; V548-Q551 PolarHBondContact O-N 2.92Å; V548-Q551 VanDerWaalsContact O-N 3.14Å; V548-E552 WeakPolarHBondContact O-CG 3.37Å; V548-E552 PolarHBondContact O-N 3.17Å
549	N	90.4	Very high	85.1	Confident	84 Å²	84	58.7 Å²	58.7	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-35.5	177	-75.4	-39.8	0	0	0	111.7	Q545 R553	Q545-N549 WeakPolarHBondContact O-CB 3.18Å; Q545-N549 PolarHBondContact O-N 3.06Å; Q545-N549 PolarHBondContact O-ND2 3.5Å; N549-R553 VanDerWaalsContact O-CB 3.28Å; N549-R553 WeakPolarHBondContact O-CB 3.45Å; N549-R553 WeakPolarHBondContact O-CG 3.28Å; N549-R553 PolarHBondContact O-N 3.09Å
550	L	90.5	Very high	86.3	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-72.9	-40.9	177.9	-170.9	61.2	0	0	0	112	V512 I518 F546 L547 V548 R553 M554 I557 V617 L619	V512-L550 HydrophobicContact CG1-CD2 3.41Å; V512-L550 VanDerWaalsContact CG1-CD2 3.41Å; V512-L550 HydrophobicContact CG2-CD2 4.45Å; I518-L550 HydrophobicContact CD1-CB 4.45Å; I518-L550 HydrophobicContact CD1-CD2 4.3Å; I518-L550 HydrophobicContact CD1-CG 3.91Å; I518-L550 HydrophobicContact CG2-CD2 3.89Å; F546-L550 HydrophobicContact CE1-CD2 4.46Å; F546-L550 HydrophobicContact CZ-CD2 4.42Å; F546-L550 VanDerWaalsContact O-CB 3.29Å; F546-L550 WeakPolarHBondContact O-CB 3.47Å; F546-L550 PolarHBondContact O-N 2.95Å; L547-L550 WeakPolarHBondContact O-CB 3.33Å; L547-L550 PolarHBondContact O-N 3.13Å; L547-L550 VanDerWaalsContact O-N 3.14Å; V548-L550 PolarHBondContact O-N 3.39Å; L550-R553 PolarHBondContact O-N 3.36Å; L550-M554 VanDerWaalsContact O-CB 3.29Å; L550-M554 WeakPolarHBondContact O-CB 3.46Å; L550-M554 PolarHBondContact O-N 3.08Å; L550-I557 HydrophobicContact CD1-CD1 4.13Å; L550-V617 HydrophobicContact CD1-CG1 4.14Å; L550-V617 HydrophobicContact CD1-CG2 4.23Å; L550-V617 HydrophobicContact CD2-CG2 4.33Å; L550-V617 HydrophobicContact CG-CG2 4.17Å; L550-L619 HydrophobicContact CD1-CD2 4.06Å
551	Q	90.6	Very high	87.2	Confident	30 Å²	30	56 Å²	56	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-45.1	175.6	-74.7	175.6	-8.4	0	0	111.6	I518 F519 T528 L547 V548 R553	I518-Q551 HydrophobicContact CD1-CB 4.44Å; I518-Q551 HydrophobicContact CD1-CG 3.92Å; I518-Q551 HydrophobicContact CG1-CG 4.26Å; I518-Q551 PolarHBondContact O-NE2 3.35Å; F519-Q551 HydrophobicContact CD1-CG 4.1Å; F519-Q551 HydrophobicContact CE1-CB 3.68Å; F519-Q551 HydrophobicContact CE1-CG 3.61Å; F519-Q551 HydrophobicContact CZ-CB 3.7Å; F519-Q551 HydrophobicContact CZ-CG 3.92Å; F519-Q551 WeakPolarHBondContact CZ-O 3.46Å; T528-Q551 PolarHBondContact OG1-NE2 3.04Å; T528-Q551 VanDerWaalsContact OG1-NE2 3.09Å; L547-Q551 VanDerWaalsContact O-CG 3.32Å; L547-Q551 WeakPolarHBondContact O-CG 3.42Å; L547-Q551 PolarHBondContact O-N 3.21Å; V548-Q551 PolarHBondContact O-N 2.92Å; V548-Q551 VanDerWaalsContact O-N 3.14Å; Q551-R553 VanDerWaalsContact C-N 3.3Å; Q551-R553 PolarHBondContact O-N 3.23Å
552	E	87.5	Confident	87.8	Confident	133 Å²	133	52 Å²	52	62%	0.621	27%	0.272	S	S	*	.	H	α-helix	trans	-60.8	-41.6	176.9	-70.2	-178.1	166.6	0	0	112	V548 K589	V548-E552 WeakPolarHBondContact O-CG 3.37Å; V548-E552 PolarHBondContact O-N 3.17Å; E552-K589 PolarHBondContact O-NZ 3.31Å
553	R	86.7	Confident	88.1	Confident	157 Å²	157	52.6 Å²	52.6	59%	0.592	27%	0.265	S	S	*	.	H	α-helix	trans	-83.5	-28	-174.4	-72.8	-176.1	71.9	-172.6	1.8	114.1	N549 L550 Q551 G555 V556 I557	N549-R553 VanDerWaalsContact O-CB 3.28Å; N549-R553 WeakPolarHBondContact O-CB 3.45Å; N549-R553 WeakPolarHBondContact O-CG 3.28Å; N549-R553 PolarHBondContact O-N 3.09Å; L550-R553 PolarHBondContact O-N 3.36Å; Q551-R553 VanDerWaalsContact C-N 3.3Å; Q551-R553 PolarHBondContact O-N 3.23Å; R553-G555 PolarHBondContact O-N 2.81Å; R553-V556 PolarHBondContact O-N 3.1Å; R553-I557 HydrophobicContact CB-CG2 3.75Å; R553-I557 HydrophobicContact CG-CG2 4.45Å; R553-I557 PolarHBondContact O-N 3.17Å
554	M	85.6	Confident	88.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	134.6	-179.7	178.7	171.7	-170.3	0	0	110.4	I518 F519 L550 V556 V562 K589 W597 L615 A616 V617	I518-M554 HydrophobicContact CD1-CB 3.9Å; I518-M554 HydrophobicContact CD1-CG 4.25Å; I518-M554 HydrophobicContact CD1-SD 3.36Å; I518-M554 WeakPolarHBondContact CD1-SD 3.31Å; I518-M554 HydrophobicContact CG1-SD 3.58Å; I518-M554 VanDerWaalsContact CG1-SD 3.58Å; F519-M554 HydrophobicContact CD2-SD 3.77Å; F519-M554 HydrophobicContact CE2-CB 4.2Å; F519-M554 HydrophobicContact CE2-CG 4.22Å; F519-M554 HydrophobicContact CE2-SD 3.54Å; F519-M554 VanDerWaalsContact CE2-SD 3.54Å; L550-M554 VanDerWaalsContact O-CB 3.29Å; L550-M554 WeakPolarHBondContact O-CB 3.46Å; L550-M554 PolarHBondContact O-N 3.08Å; M554-V556 VanDerWaalsContact C-N 3.27Å; M554-V556 PolarHBondContact O-N 2.99Å; M554-V562 HydrophobicContact CE-CB 4Å; M554-V562 HydrophobicContact CE-CG1 3.63Å; M554-V562 HydrophobicContact CG-CG1 4.1Å; M554-K589 WeakPolarHBondContact O-CE 3.37Å; M554-K589 PolarHBondContact O-NZ 2.88Å; M554-W597 HydrophobicContact CB-CH2 4.22Å; M554-W597 HydrophobicContact CG-CH2 3.89Å; M554-W597 HydrophobicContact CG-CZ3 3.94Å; M554-W597 HydrophobicContact SD-CH2 4.39Å; M554-W597 HydrophobicContact SD-CZ3 4.41Å; M554-L615 HydrophobicContact CE-CB 3.51Å; M554-A616 WeakPolarHBondContact CE-O 3.44Å; M554-V617 HydrophobicContact CB-CG2 3.99Å; M554-V617 HydrophobicContact CE-CG2 3.89Å; M554-V617 HydrophobicContact CG-CG2 3.66Å; M554-V617 HydrophobicContact SD-CG2 3.42Å; M554-V617 WeakPolarHBondContact SD-CG2 3.42Å
555	G	82.2	Confident	88.2	Confident	10 Å²	10	52.1 Å²	52.1	10%	0.103	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-5.4	-174.6	0	0	0	0	0	115.2	R553 G560	R553-G555 PolarHBondContact O-N 2.81Å; G555-G560 WeakPolarHBondContact O-CA 3.5Å
556	V	83.2	Confident	88.1	Confident	107 Å²	107	48.1 Å²	48.1	65%	0.648	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-38	167.6	-177	0	0	0	0	110.7	R553 M554	R553-V556 PolarHBondContact O-N 3.1Å; M554-V556 VanDerWaalsContact C-N 3.27Å; M554-V556 PolarHBondContact O-N 2.99Å
557	I	81.5	Confident	88.2	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.138	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.6	157.3	174.6	59.7	176	0	0	0	112	L550 R553 S559 G560 V617	L550-I557 HydrophobicContact CD1-CD1 4.13Å; R553-I557 HydrophobicContact CB-CG2 3.75Å; R553-I557 HydrophobicContact CG-CG2 4.45Å; R553-I557 PolarHBondContact O-N 3.17Å; I557-S559 PolarHBondContact O-N 3.27Å; I557-S559 VanDerWaalsContact O-N 3.16Å; I557-G560 WeakPolarHBondContact O-CA 3.48Å; I557-G560 PolarHBondContact O-N 3.32Å; I557-V617 HydrophobicContact CD1-CG1 3.74Å
558	N	81.9	Confident	88.2	Confident	78 Å²	78	50.3 Å²	50.3	42%	0.417	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	51.5	39.5	177.3	-61.9	-24.3	0	0	0	113.6	G560 R561 C618	N558-G560 PolarHBondContact O-N 2.87Å; N558-R561 HydrophobicContact CB-CB 4.47Å; N558-R561 VanDerWaalsContact O-CB 3.3Å; N558-R561 WeakPolarHBondContact O-CB 3.12Å; N558-R561 VanDerWaalsContact O-CG 3.25Å; N558-R561 WeakPolarHBondContact O-CG 3.29Å; N558-R561 PolarHBondContact O-N 2.94Å; N558-R561 VanDerWaalsContact O-N 3.12Å; N558-C618 PolarHBondContact ND2-O 3.25Å
559	S	83	Confident	88.3	Confident	96 Å²	96	52.8 Å²	52.8	67%	0.671	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	58.9	31.4	-175.7	-50.2	0	0	0	0	113.6	I557 R561 R585	I557-S559 PolarHBondContact O-N 3.27Å; I557-S559 VanDerWaalsContact O-N 3.16Å; S559-R561 VanDerWaalsContact C-N 3.27Å; S559-R561 PolarHBondContact O-N 2.84Å; S559-R585 WeakPolarHBondContact O-CG 3.44Å
560	G	87.5	Confident	88.4	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.031	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	74.7	10.6	-177.5	0	0	0	0	0	114.5	G555 I557 N558 R585 V586	G555-G560 WeakPolarHBondContact O-CA 3.5Å; I557-G560 WeakPolarHBondContact O-CA 3.48Å; I557-G560 PolarHBondContact O-N 3.32Å; N558-G560 PolarHBondContact O-N 2.87Å; G560-R585 CarbonylContact O-C 3.57Å; G560-R585 WeakPolarHBondContact O-CA 3.39Å; G560-V586 PolarHBondContact O-N 2.93Å
561	R	90.4	Very high	88.4	Confident	94 Å²	94	59.1 Å²	59.1	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.6	178.4	-70.2	172.7	-179.2	-114.6	5.4	111.2	N558 S559 E583 L584	N558-R561 HydrophobicContact CB-CB 4.47Å; N558-R561 VanDerWaalsContact O-CB 3.3Å; N558-R561 WeakPolarHBondContact O-CB 3.12Å; N558-R561 VanDerWaalsContact O-CG 3.25Å; N558-R561 WeakPolarHBondContact O-CG 3.29Å; N558-R561 PolarHBondContact O-N 2.94Å; N558-R561 VanDerWaalsContact O-N 3.12Å; S559-R561 VanDerWaalsContact C-N 3.27Å; S559-R561 PolarHBondContact O-N 2.84Å; R561-E583 VanDerWaalsContact CD-OE1 3.26Å; R561-E583 WeakPolarHBondContact CD-OE1 3.47Å; R561-E583 IonicContact CZ-OE1 3.02Å; R561-E583 IonicContact NE-OE1 3.85Å; R561-E583 VanDerWaalsContact NH1-CD 3.32Å; R561-E583 IonicContact NH1-OE1 3.58Å; R561-E583 PolarHBondContact NH1-OE1 3.45Å; R561-E583 IonicContact NH1-OE2 3.07Å; R561-E583 PolarHBondContact NH1-OE2 3.31Å; R561-L584 WeakPolarHBondContact CA-O 3.36Å
562	V	92	Very high	88.3	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.9	177.8	-62	0	0	0	0	108.6	M554 L584 V586 L615	M554-V562 HydrophobicContact CE-CB 4Å; M554-V562 HydrophobicContact CE-CG1 3.63Å; M554-V562 HydrophobicContact CG-CG1 4.1Å; V562-L584 HydrophobicContact CG2-CB 3.86Å; V562-L584 PolarHBondContact N-O 3.32Å; V562-L584 PolarHBondContact O-N 3.27Å; V562-V586 HydrophobicContact CG1-CG2 3.88Å; V562-V586 HydrophobicContact CG2-CG2 3.85Å; V562-L615 HydrophobicContact CG2-CD1 4.09Å; V562-L615 HydrophobicContact CG2-CD2 4.39Å
563	Y	91.8	Very high	88.4	Confident	43 Å²	43	66.6 Å²	66.6	17%	0.169	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150	-176.3	-69.8	-105.5	0	0	0	109.8	G565 D582 E583 L615 A616 C618	Y563-G565 PolarHBondContact O-N 3.48Å; Y563-D582 WeakPolarHBondContact CA-O 3.48Å; Y563-E583 HydrophobicContact CD1-CB 4.36Å; Y563-E583 HydrophobicContact CD1-CG 4.39Å; Y563-E583 HydrophobicContact CE1-CB 4.03Å; Y563-E583 HydrophobicContact CE1-CG 3.86Å; Y563-E583 HydrophobicContact CE2-CG 4.07Å; Y563-E583 PolarHBondContact OH-OE1 3.06Å; Y563-L615 CarbonylContact O-C 3.53Å; Y563-L615 WeakPolarHBondContact O-CA 3.41Å; Y563-A616 PolarHBondContact N-O 2.93Å; Y563-A616 PolarHBondContact O-N 3.4Å; Y563-C618 HydrophobicContact CD2-CB 3.72Å; Y563-C618 HydrophobicContact CE2-CB 3.34Å
564	A	92.6	Very high	88.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	112.4	171	0	0	0	0	0	110.2	C566 F578 K579 D581 D582	A564-C566 VanDerWaalsContact C-N 3.26Å; A564-F578 HydrophobicContact CB-CB 4.43Å; A564-F578 HydrophobicContact CB-CD2 3.32Å; A564-F578 HydrophobicContact CB-CE2 3.82Å; A564-F578 HydrophobicContact CB-CG 4.17Å; A564-K579 WeakPolarHBondContact CB-O 3.41Å; A564-D581 PolarHBondContact O-N 3.29Å; A564-D582 HydrophobicContact CB-CB 4.28Å; A564-D582 PolarHBondContact N-O 3.43Å
565	G	89	Confident	89	Confident	4 Å²	4	62.9 Å²	62.9	4%	0.041	32%	0.317	C	S	.	.	S	Bend	trans	-80	-9.5	174.8	0	0	0	0	0	113.4	N486 Y563 L580 L614	N486-G565 PolarHBondContact ND2-O 2.87Å; Y563-G565 PolarHBondContact O-N 3.48Å; G565-L580 VanDerWaalsContact C-CD1 3.46Å; G565-L580 WeakPolarHBondContact O-CD1 2.96Å; G565-L614 PolarHBondContact N-O 3.33Å
566	C	88.3	Confident	89.5	Confident	29 Å²	29	62.6 Å²	62.6	20%	0.196	31%	0.313	C	S	.	.	S	Bend	trans	-156.3	169.8	173.1	60.2	0	0	0	0	110.7	A564 F578 L614	A564-C566 VanDerWaalsContact C-N 3.26Å; C566-F578 WeakPolarHBondContact O-CE2 3.22Å; C566-L614 VanDerWaalsContact SG-CB 3.55Å; C566-L614 VanDerWaalsContact SG-CD2 3.58Å
567	N	92.4	Very high	90	Very high	80 Å²	80	59.5 Å²	59.5	43%	0.428	30%	0.296	S	S	.	.			trans	-74.2	140.6	174.6	-60.9	-58.3	0	0	0	110.6	K579 L580	N567-K579 HydrophobicContact CB-CD 4.47Å; N567-K579 WeakPolarHBondContact OD1-CA 3.09Å; N567-K579 WeakPolarHBondContact OD1-CD 3.13Å; N567-L580 PolarHBondContact OD1-N 3.45Å
568	Y	93.6	Very high	90.6	Very high	16 Å²	16	58.3 Å²	58.3	6%	0.063	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-139.1	127.9	174.2	-178.7	-107.4	0	0	0	110.3	E575 I576 S577 F578 W596 P611 L614	Y568-E575 PolarHBondContact OH-OE2 2.81Å; Y568-I576 WeakPolarHBondContact CD1-O 3.43Å; Y568-S577 CarbonylContact O-C 3.42Å; Y568-S577 VanDerWaalsContact O-CA 3.24Å; Y568-S577 WeakPolarHBondContact O-CA 3.15Å; Y568-S577 WeakPolarHBondContact O-CB 3.48Å; Y568-F578 VanDerWaalsContact CB-CE2 3.42Å; Y568-F578 HydrophobicContact CD1-CD1 4.21Å; Y568-F578 AromaticContact CD1-CE1 3.58Å; Y568-F578 HydrophobicContact CD1-CE1 3.58Å; Y568-F578 AromaticContact CD1-CZ 3.97Å; Y568-F578 HydrophobicContact CD1-CZ 3.97Å; Y568-F578 AromaticContact CG-CE1 3.96Å; Y568-F578 HydrophobicContact CG-CE1 3.96Å; Y568-F578 HydrophobicContact CG-CE2 4.43Å; Y568-F578 AromaticContact CG-CZ 3.85Å; Y568-F578 HydrophobicContact CG-CZ 3.85Å; Y568-F578 PolarHBondContact N-O 3.11Å; Y568-F578 PolarHBondContact O-N 3.28Å; Y568-F578 VanDerWaalsContact O-O 3.11Å; Y568-W596 VanDerWaalsContact OH-CH2 3.28Å; Y568-W596 WeakPolarHBondContact OH-CH2 3.31Å; Y568-P611 HydrophobicContact CD1-CG 4.4Å; Y568-P611 HydrophobicContact CD2-CG 4.02Å; Y568-P611 HydrophobicContact CE1-CG 4.27Å; Y568-P611 HydrophobicContact CE2-CG 3.9Å; Y568-P611 HydrophobicContact CG-CG 4.28Å; Y568-L614 HydrophobicContact CD2-CD1 3.58Å; Y568-L614 HydrophobicContact CE2-CD1 4.39Å; Y568-L614 HydrophobicContact CG-CD1 4.03Å
569	D	94.2	Very high	91.2	Very high	102 Å²	102	59.3 Å²	59.3	55%	0.545	29%	0.291	S	S	.	.			trans	-105.6	130.2	174.2	-61.9	-48	0	0	0	108.8	K579	D569-K579 IonicContact OD1-NZ 3.56Å; D569-K579 PolarHBondContact OD1-NZ 2.83Å
570	K	92.3	Very high	91.5	Very high	115 Å²	115	58.3 Å²	58.3	50%	0.5	28%	0.277	S	S	.	.			trans	-61.9	138	-174.9	70.2	179.1	-173.8	168.5	0	111	E575 S577	K570-E575 HydrophobicContact CB-CB 3.88Å; K570-E575 WeakPolarHBondContact CD-O 3.19Å; K570-S577 WeakPolarHBondContact CB-OG 3.17Å; K570-S577 WeakPolarHBondContact CG-OG 3.4Å; K570-S577 PolarHBondContact N-OG 2.9Å
571	Q	89.7	Confident	91.6	Very high	115 Å²	115	61.6 Å²	61.6	54%	0.537	29%	0.294	S	S	.	.			trans	-106.1	-27.3	178.6	-56.6	-176.7	2.9	0	0	111.6	E575	Q571-E575 WeakPolarHBondContact CA-OE2 3.33Å; Q571-E575 WeakPolarHBondContact CB-OE2 3.48Å; Q571-E575 PolarHBondContact N-OE2 2.87Å
572	R	89.3	Confident	91.7	Very high	128 Å²	128	59.2 Å²	59.2	48%	0.483	29%	0.288	S	S	.	.	S	Bend	trans	-117.5	168.5	176.2	-57.4	178.3	178.4	175.4	2.7	112.5	D574 E575	R572-D574 WeakPolarHBondContact CB-OD1 3.5Å; R572-E575 HydrophobicContact CB-CG 3.98Å; R572-E575 WeakPolarHBondContact CB-OE1 3.35Å; R572-E575 WeakPolarHBondContact CD-OE1 3.5Å; R572-E575 VanDerWaalsContact CG-OE1 3.27Å; R572-E575 WeakPolarHBondContact CG-OE1 3.35Å; R572-E575 PolarHBondContact N-OE2 2.87Å; R572-E575 IonicContact NE-OE1 3.12Å
573	E	89.6	Confident	91.7	Very high	193 Å²	193	61.4 Å²	61.4	90%	0.902	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.3	-176.9	-66.8	-171.3	168.8	0	0	113.3	E575	E573-E575 VanDerWaalsContact C-N 3.33Å
574	D	91.2	Very high	91.8	Very high	72 Å²	72	59.4 Å²	59.4	39%	0.385	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2	177.4	57.5	-30.3	0	0	0	113.4	R572 G608 Y609	R572-D574 WeakPolarHBondContact CB-OD1 3.5Å; D574-G608 CarbonylContact O-C 3.56Å; D574-G608 WeakPolarHBondContact O-CA 3.47Å; D574-Y609 HydrophobicContact CB-CD2 4.07Å; D574-Y609 HydrophobicContact CB-CE2 4.5Å; D574-Y609 PolarHBondContact O-N 3.14Å; D574-Y609 WeakPolarHBondContact OD2-CD2 3.3Å
575	E	93	Very high	91.8	Very high	7 Å²	7	63.6 Å²	63.6	3%	0.033	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-97.1	154	176.6	-67.8	168.6	-165.9	0	0	112.1	Y568 K570 Q571 R572 E573 W596 Y609	Y568-E575 PolarHBondContact OH-OE2 2.81Å; K570-E575 HydrophobicContact CB-CB 3.88Å; K570-E575 WeakPolarHBondContact CD-O 3.19Å; Q571-E575 WeakPolarHBondContact CA-OE2 3.33Å; Q571-E575 WeakPolarHBondContact CB-OE2 3.48Å; Q571-E575 PolarHBondContact N-OE2 2.87Å; R572-E575 HydrophobicContact CB-CG 3.98Å; R572-E575 WeakPolarHBondContact CB-OE1 3.35Å; R572-E575 WeakPolarHBondContact CD-OE1 3.5Å; R572-E575 VanDerWaalsContact CG-OE1 3.27Å; R572-E575 WeakPolarHBondContact CG-OE1 3.35Å; R572-E575 PolarHBondContact N-OE2 2.87Å; R572-E575 IonicContact NE-OE1 3.12Å; E573-E575 VanDerWaalsContact C-N 3.33Å; E575-W596 HydrophobicContact CG-CH2 4.24Å; E575-W596 HydrophobicContact CG-CZ3 3.8Å; E575-W596 VanDerWaalsContact OE1-CH2 3.3Å; E575-W596 WeakPolarHBondContact OE1-CH2 3.11Å; E575-Y609 WeakPolarHBondContact CA-O 3.47Å
576	I	93.4	Very high	92	Very high	4 Å²	4	64 Å²	64	2%	0.021	31%	0.308	C	S	.	.			trans	-111.6	146.9	173	58.8	164.5	0	0	0	111.4	Y568 L584 V599 H601 Q606 Y609 V610	Y568-I576 WeakPolarHBondContact CD1-O 3.43Å; I576-L584 HydrophobicContact CD1-CD2 4.29Å; I576-V599 HydrophobicContact CD1-CG2 3.51Å; I576-V599 HydrophobicContact CG1-CG2 4.35Å; I576-H601 HydrophobicContact CD1-CB 4.05Å; I576-Q606 HydrophobicContact CG2-CB 4.1Å; I576-Y609 PolarHBondContact N-O 3.2Å; I576-V610 HydrophobicContact CD1-CG1 3.67Å; I576-V610 HydrophobicContact CG1-CG1 3.26Å
577	S	94.1	Very high	92.2	Very high	42 Å²	42	66.6 Å²	66.6	29%	0.294	32%	0.32	S	S	.	.			trans	-91.5	146.8	170.9	-48.2	0	0	0	0	109.9	Y568 K570	Y568-S577 CarbonylContact O-C 3.42Å; Y568-S577 VanDerWaalsContact O-CA 3.24Å; Y568-S577 WeakPolarHBondContact O-CA 3.15Å; Y568-S577 WeakPolarHBondContact O-CB 3.48Å; K570-S577 WeakPolarHBondContact CB-OG 3.17Å; K570-S577 WeakPolarHBondContact CG-OG 3.4Å; K570-S577 PolarHBondContact N-OG 2.9Å
578	F	93.8	Very high	92	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.009	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-147.7	153.2	176.5	51.2	-97.9	0	0	0	109.8	A564 C566 Y568 D582 L584 V610 L614	A564-F578 HydrophobicContact CB-CB 4.43Å; A564-F578 HydrophobicContact CB-CD2 3.32Å; A564-F578 HydrophobicContact CB-CE2 3.82Å; A564-F578 HydrophobicContact CB-CG 4.17Å; C566-F578 WeakPolarHBondContact O-CE2 3.22Å; Y568-F578 VanDerWaalsContact CB-CE2 3.42Å; Y568-F578 HydrophobicContact CD1-CD1 4.21Å; Y568-F578 AromaticContact CD1-CE1 3.58Å; Y568-F578 HydrophobicContact CD1-CE1 3.58Å; Y568-F578 AromaticContact CD1-CZ 3.97Å; Y568-F578 HydrophobicContact CD1-CZ 3.97Å; Y568-F578 AromaticContact CG-CE1 3.96Å; Y568-F578 HydrophobicContact CG-CE1 3.96Å; Y568-F578 HydrophobicContact CG-CE2 4.43Å; Y568-F578 AromaticContact CG-CZ 3.85Å; Y568-F578 HydrophobicContact CG-CZ 3.85Å; Y568-F578 PolarHBondContact N-O 3.11Å; Y568-F578 PolarHBondContact O-N 3.28Å; Y568-F578 VanDerWaalsContact O-O 3.11Å; F578-D582 HydrophobicContact CB-CB 4.23Å; F578-L584 HydrophobicContact CB-CD2 4.41Å; F578-L584 HydrophobicContact CD1-CD1 4.06Å; F578-L584 HydrophobicContact CE1-CD1 4.42Å; F578-L584 HydrophobicContact CG-CD1 4.2Å; F578-V610 HydrophobicContact CD1-CG1 3.85Å; F578-V610 HydrophobicContact CE1-CB 3.75Å; F578-V610 HydrophobicContact CE1-CG1 3.47Å; F578-V610 VanDerWaalsContact CE1-CG1 3.47Å; F578-V610 HydrophobicContact CZ-CB 4.49Å; F578-L614 HydrophobicContact CE2-CB 4.39Å; F578-L614 HydrophobicContact CZ-CB 4.2Å
579	K	93.3	Very high	91.7	Very high	100 Å²	100	68.1 Å²	68.1	44%	0.435	33%	0.33	S	S	.	.			trans	-103.5	160	175.7	-58.8	-54.6	177.7	-163.8	0	110.2	A564 N567 D569 D581 D582	A564-K579 WeakPolarHBondContact CB-O 3.41Å; N567-K579 HydrophobicContact CB-CD 4.47Å; N567-K579 WeakPolarHBondContact OD1-CA 3.09Å; N567-K579 WeakPolarHBondContact OD1-CD 3.13Å; D569-K579 IonicContact OD1-NZ 3.56Å; D569-K579 PolarHBondContact OD1-NZ 2.83Å; K579-D581 PolarHBondContact O-N 2.91Å; K579-D582 WeakPolarHBondContact CA-OD2 3.41Å; K579-D582 PolarHBondContact N-OD2 3.28Å; K579-D582 WeakPolarHBondContact O-CB 3.48Å; K579-D582 PolarHBondContact O-N 3.15Å
580	L	90.4	Very high	90.6	Very high	75 Å²	75	66.2 Å²	66.2	39%	0.393	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	135	175.3	179	67.8	0	0	0	110	G565 N567 D582	G565-L580 VanDerWaalsContact C-CD1 3.46Å; G565-L580 WeakPolarHBondContact O-CD1 2.96Å; N567-L580 PolarHBondContact OD1-N 3.45Å; L580-D582 PolarHBondContact O-N 2.71Å
581	D	90	Very high	89.2	Confident	71 Å²	71	66.9 Å²	66.9	38%	0.38	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	6.7	-177.4	-53.5	-42.9	0	0	0	116.4	A564 K579 E583 Y626	A564-D581 PolarHBondContact O-N 3.29Å; K579-D581 PolarHBondContact O-N 2.91Å; D581-E583 PolarHBondContact O-N 3.19Å; D581-Y626 WeakPolarHBondContact OD2-CD2 3.47Å; D581-Y626 VanDerWaalsContact OD2-CE2 3.28Å; D581-Y626 WeakPolarHBondContact OD2-CE2 3.35Å
582	D	92.4	Very high	87.8	Confident	44 Å²	44	69.8 Å²	69.8	24%	0.235	35%	0.345	C	S	.	.			trans	-63.3	136.1	171.4	-81.2	-25.3	0	0	0	111.1	Y563 A564 F578 K579 L580 H601	Y563-D582 WeakPolarHBondContact CA-O 3.48Å; A564-D582 HydrophobicContact CB-CB 4.28Å; A564-D582 PolarHBondContact N-O 3.43Å; F578-D582 HydrophobicContact CB-CB 4.23Å; K579-D582 WeakPolarHBondContact CA-OD2 3.41Å; K579-D582 PolarHBondContact N-OD2 3.28Å; K579-D582 WeakPolarHBondContact O-CB 3.48Å; K579-D582 PolarHBondContact O-N 3.15Å; L580-D582 PolarHBondContact O-N 2.71Å; D582-H601 IonicContact OD2-CE1 3.25Å; D582-H601 IonicContact OD2-NE2 2.65Å; D582-H601 PolarHBondContact OD2-NE2 2.81Å
583	E	92.6	Very high	86.5	Confident	48 Å²	48	67.9 Å²	67.9	22%	0.224	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.9	179.6	-161.2	-177.4	-171.7	0	0	111	R561 Y563 D581 L602	R561-E583 VanDerWaalsContact CD-OE1 3.26Å; R561-E583 WeakPolarHBondContact CD-OE1 3.47Å; R561-E583 IonicContact CZ-OE1 3.02Å; R561-E583 IonicContact NE-OE1 3.85Å; R561-E583 VanDerWaalsContact NH1-CD 3.32Å; R561-E583 IonicContact NH1-OE1 3.58Å; R561-E583 PolarHBondContact NH1-OE1 3.45Å; R561-E583 IonicContact NH1-OE2 3.07Å; R561-E583 PolarHBondContact NH1-OE2 3.31Å; Y563-E583 HydrophobicContact CD1-CB 4.36Å; Y563-E583 HydrophobicContact CD1-CG 4.39Å; Y563-E583 HydrophobicContact CE1-CB 4.03Å; Y563-E583 HydrophobicContact CE1-CG 3.86Å; Y563-E583 HydrophobicContact CE2-CG 4.07Å; Y563-E583 PolarHBondContact OH-OE1 3.06Å; D581-E583 PolarHBondContact O-N 3.19Å; E583-L602 HydrophobicContact CB-CD1 4.21Å; E583-L602 VanDerWaalsContact CD-CD1 3.5Å; E583-L602 HydrophobicContact CG-CD1 3.63Å; E583-L602 HydrophobicContact CG-CG 4.5Å; E583-L602 WeakPolarHBondContact O-CB 3.32Å; E583-L602 PolarHBondContact O-N 2.9Å
584	L	93.3	Very high	85.6	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	158.7	179.7	-52.2	175.9	0	0	0	109.7	R561 V562 I576 F578 V599 V600 H601 L615	R561-L584 WeakPolarHBondContact CA-O 3.36Å; V562-L584 HydrophobicContact CG2-CB 3.86Å; V562-L584 PolarHBondContact N-O 3.32Å; V562-L584 PolarHBondContact O-N 3.27Å; I576-L584 HydrophobicContact CD1-CD2 4.29Å; F578-L584 HydrophobicContact CB-CD2 4.41Å; F578-L584 HydrophobicContact CD1-CD1 4.06Å; F578-L584 HydrophobicContact CE1-CD1 4.42Å; F578-L584 HydrophobicContact CG-CD1 4.2Å; L584-V599 HydrophobicContact CB-CG2 4.45Å; L584-V599 HydrophobicContact CD1-CG2 4.35Å; L584-V600 CarbonylContact C-O 3.57Å; L584-V600 WeakPolarHBondContact CA-O 3.43Å; L584-H601 HydrophobicContact CD2-CB 3.78Å; L584-L615 HydrophobicContact CD1-CD2 3.69Å
585	R	92.7	Very high	85.3	Confident	89 Å²	89	66.4 Å²	66.4	34%	0.336	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.1	171	-178.7	-171.2	-56.8	168.1	5.4	110.6	S559 G560 L587 V599 V600 L602	S559-R585 WeakPolarHBondContact O-CG 3.44Å; G560-R585 CarbonylContact O-C 3.57Å; G560-R585 WeakPolarHBondContact O-CA 3.39Å; R585-L587 PolarHBondContact O-N 2.74Å; R585-V599 CarbonylContact O-C 3.58Å; R585-V599 WeakPolarHBondContact O-CA 3.43Å; R585-V599 WeakPolarHBondContact O-CB 3.42Å; R585-V600 HydrophobicContact CB-CG1 3.75Å; R585-V600 HydrophobicContact CG-CG1 4.49Å; R585-V600 PolarHBondContact N-O 3.07Å; R585-V600 PolarHBondContact O-N 3.31Å; R585-L602 HydrophobicContact CB-CD2 3.96Å; R585-L602 HydrophobicContact CB-CG 4.44Å
586	V	92.6	Very high	85.2	Confident	13 Å²	13	68.2 Å²	68.2	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	121.4	174	-174.2	0	0	0	0	109.6	G560 V562 K589 W597 V599	G560-V586 PolarHBondContact O-N 2.93Å; V562-V586 HydrophobicContact CG1-CG2 3.88Å; V562-V586 HydrophobicContact CG2-CG2 3.85Å; V586-K589 HydrophobicContact CG1-CG 4.04Å; V586-W597 HydrophobicContact CG1-CD2 4.41Å; V586-W597 HydrophobicContact CG1-CE3 4.07Å; V586-W597 HydrophobicContact CG2-CE3 3.6Å; V586-W597 HydrophobicContact CG2-CZ3 3.9Å; V586-V599 HydrophobicContact CB-CG1 4.49Å; V586-V599 HydrophobicContact CG2-CG1 4.11Å
587	L	91.6	Very high	85.2	Confident	83 Å²	83	68.5 Å²	68.5	44%	0.435	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-40.4	176.9	-64.9	-178.5	0	0	0	111	R585 W598 V600 E607	R585-L587 PolarHBondContact O-N 2.74Å; L587-W598 PolarHBondContact N-O 3.49Å; L587-V600 HydrophobicContact CD1-CB 4.02Å; L587-V600 HydrophobicContact CD1-CG1 4.25Å; L587-V600 HydrophobicContact CD2-CG1 4.02Å; L587-V600 HydrophobicContact CG-CB 4.36Å; L587-V600 HydrophobicContact CG-CG1 4.12Å; L587-E607 HydrophobicContact CD1-CG 4.13Å
588	S	89.9	Confident	85.2	Confident	56 Å²	56	69.8 Å²	69.8	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	137.8	177.6	-172	0	0	0	0	110.9	W598	S588-W598 PolarHBondContact N-O 2.97Å; S588-W598 VanDerWaalsContact N-O 3.15Å; S588-W598 PolarHBondContact O-N 2.98Å
589	K	85.9	Confident	85.2	Confident	72 Å²	72	69.7 Å²	69.7	31%	0.313	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	106.5	169	-60.7	178.9	179.4	-172.1	0	107	E552 M554 V586 W597	E552-K589 PolarHBondContact O-NZ 3.31Å; M554-K589 WeakPolarHBondContact O-CE 3.37Å; M554-K589 PolarHBondContact O-NZ 2.88Å; V586-K589 HydrophobicContact CG1-CG 4.04Å; K589-W597 HydrophobicContact CD-CZ2 4.27Å; K589-W597 HydrophobicContact CG-CD2 4.36Å; K589-W597 HydrophobicContact CG-CZ2 4.33Å
590	E	71.9	Confident	85.3	Confident	62 Å²	62	65.8 Å²	65.8	29%	0.29	32%	0.322	S	S	.	.			trans	-74.7	145.7	176.4	-72.3	-167.7	175.8	0	0	111.8	Y609	E590-Y609 VanDerWaalsContact CD-CE1 3.46Å; E590-Y609 VanDerWaalsContact CD-OH 3.29Å; E590-Y609 HydrophobicContact CG-CE1 4.34Å; E590-Y609 WeakPolarHBondContact OE1-CE1 3.35Å; E590-Y609 PolarHBondContact OE1-OH 2.92Å; E590-Y609 WeakPolarHBondContact OE2-CE1 3.37Å; E590-Y609 PolarHBondContact OE2-OH 3.01Å
591	T	62.3	Low	85.6	Confident	129 Å²	129	62.5 Å²	62.5	79%	0.791	31%	0.305	S	S	*	.	S	Bend	trans	-95.3	-21.2	179.4	47.1	0	0	0	0	113.1
592	E	59.8	Low	85.6	Confident	176 Å²	176	61.7 Å²	61.7	82%	0.822	30%	0.3	S	S	*	.	S	Bend	trans	-80.2	-56.1	-174.2	-62.6	-172.6	-179.1	0	0	111.2	K594	E592-K594 PolarHBondContact O-N 3.4Å
593	E	63.6	Low	85.6	Confident	88 Å²	88	63.8 Å²	63.8	41%	0.411	32%	0.324	S	S	.	.	S	Bend	trans	-87.9	88.4	170.1	-64.7	-163	173.5	0	0	109.6	N595 W596	E593-N595 PolarHBondContact O-N 3.46Å; E593-W596 HydrophobicContact CB-CB 4.23Å; E593-W596 PolarHBondContact O-N 3.27Å; E593-W596 VanDerWaalsContact O-N 3.08Å
594	K	69.5	Low	85.6	Confident	158 Å²	158	65.2 Å²	65.2	69%	0.687	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-36.8	-173.2	-71.2	-175.4	178.9	-178.3	0	113.2	E592 R612	E592-K594 PolarHBondContact O-N 3.4Å; K594-R612 PolarHBondContact O-NE 3.38Å; K594-R612 PolarHBondContact O-NH1 2.91Å
595	N	84.7	Confident	85.6	Confident	75 Å²	75	67.7 Å²	67.7	40%	0.401	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.6	-170.8	-64.7	-23.8	0	0	0	116.4	E593 R612	E593-N595 PolarHBondContact O-N 3.46Å; N595-R612 WeakPolarHBondContact O-CG 3.5Å; N595-R612 PolarHBondContact O-N 3.5Å; N595-R612 PolarHBondContact OD1-NE 3.21Å; N595-R612 PolarHBondContact OD1-NH2 3.02Å
596	W	91.5	Very high	85.7	Confident	46 Å²	46	68.7 Å²	68.7	17%	0.174	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.6	-173.4	-67.1	88.3	0	0	0	112.4	Y568 E575 E593 Y609 V610 P611	Y568-W596 VanDerWaalsContact OH-CH2 3.28Å; Y568-W596 WeakPolarHBondContact OH-CH2 3.31Å; E575-W596 HydrophobicContact CG-CH2 4.24Å; E575-W596 HydrophobicContact CG-CZ3 3.8Å; E575-W596 VanDerWaalsContact OE1-CH2 3.3Å; E575-W596 WeakPolarHBondContact OE1-CH2 3.11Å; E593-W596 HydrophobicContact CB-CB 4.23Å; E593-W596 PolarHBondContact O-N 3.27Å; E593-W596 VanDerWaalsContact O-N 3.08Å; W596-Y609 HydrophobicContact CB-CD1 4.36Å; W596-V610 WeakPolarHBondContact CA-O 3.34Å; W596-P611 HydrophobicContact CE3-CB 4.46Å; W596-P611 HydrophobicContact CZ3-CB 4.41Å; W596-P611 HydrophobicContact CZ3-CG 4.48Å
597	W	92.8	Very high	85.8	Confident	10 Å²	10	73.4 Å²	73.4	4%	0.038	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.8	179.2	-69.7	-8.1	0	0	0	111.1	F519 M554 V586 K589 V599 Y609 V610 R612 L615	F519-W597 HydrophobicContact CD2-CH2 4.38Å; F519-W597 AromaticContact CE2-CH2 3.52Å; F519-W597 HydrophobicContact CE2-CH2 3.52Å; F519-W597 AromaticContact CE2-CZ2 3.84Å; F519-W597 HydrophobicContact CE2-CZ2 3.84Å; F519-W597 HydrophobicContact CE2-CZ3 4.42Å; F519-W597 HydrophobicContact CZ-CH2 4.08Å; F519-W597 HydrophobicContact CZ-CZ2 4.03Å; M554-W597 HydrophobicContact CB-CH2 4.22Å; M554-W597 HydrophobicContact CG-CH2 3.89Å; M554-W597 HydrophobicContact CG-CZ3 3.94Å; M554-W597 HydrophobicContact SD-CH2 4.39Å; M554-W597 HydrophobicContact SD-CZ3 4.41Å; V586-W597 HydrophobicContact CG1-CD2 4.41Å; V586-W597 HydrophobicContact CG1-CE3 4.07Å; V586-W597 HydrophobicContact CG2-CE3 3.6Å; V586-W597 HydrophobicContact CG2-CZ3 3.9Å; K589-W597 HydrophobicContact CD-CZ2 4.27Å; K589-W597 HydrophobicContact CG-CD2 4.36Å; K589-W597 HydrophobicContact CG-CZ2 4.33Å; W597-V599 HydrophobicContact CB-CG1 4.16Å; W597-Y609 WeakPolarHBondContact O-CA 3.46Å; W597-V610 PolarHBondContact N-O 3.4Å; W597-V610 PolarHBondContact O-N 3.36Å; W597-R612 HydrophobicContact CD2-CB 3.87Å; W597-R612 HydrophobicContact CE3-CB 4.26Å; W597-R612 HydrophobicContact CG-CB 4.18Å; W597-R612 HydrophobicContact CZ2-CB 4.38Å; W597-L615 HydrophobicContact CE3-CD1 3.85Å; W597-L615 HydrophobicContact CZ3-CD1 4.31Å
598	W	93.9	Very high	86	Confident	68 Å²	68	69.4 Å²	69.4	26%	0.258	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.9	172	-168.4	-99.7	0	0	0	109.1	L587 S588 E607 Y609	L587-W598 PolarHBondContact N-O 3.49Å; S588-W598 PolarHBondContact N-O 2.97Å; S588-W598 VanDerWaalsContact N-O 3.15Å; S588-W598 PolarHBondContact O-N 2.98Å; W598-E607 HydrophobicContact CZ2-CB 3.93Å; W598-E607 PolarHBondContact NE1-OE2 3.45Å; W598-Y609 HydrophobicContact CB-CE1 4.45Å; W598-Y609 AromaticContact CE3-CD1 3.84Å; W598-Y609 HydrophobicContact CE3-CD1 3.84Å; W598-Y609 AromaticContact CE3-CD2 3.62Å; W598-Y609 HydrophobicContact CE3-CD2 3.62Å; W598-Y609 AromaticContact CE3-CE1 3.74Å; W598-Y609 HydrophobicContact CE3-CE1 3.74Å; W598-Y609 AromaticContact CE3-CE2 3.51Å; W598-Y609 HydrophobicContact CE3-CE2 3.51Å; W598-Y609 AromaticContact CE3-CG 3.77Å; W598-Y609 HydrophobicContact CE3-CG 3.77Å; W598-Y609 AromaticContact CE3-CZ 3.57Å; W598-Y609 AromaticContact CZ3-CD2 3.47Å; W598-Y609 HydrophobicContact CZ3-CD2 3.47Å; W598-Y609 VanDerWaalsContact CZ3-CD2 3.47Å; W598-Y609 HydrophobicContact CZ3-CE1 4.46Å; W598-Y609 AromaticContact CZ3-CE2 3.38Å; W598-Y609 HydrophobicContact CZ3-CE2 3.38Å; W598-Y609 HydrophobicContact CZ3-CG 4.06Å; W598-Y609 AromaticContact CZ3-CZ 3.91Å
599	V	94.9	Very high	86.1	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.7	-174.8	-49.4	0	0	0	0	110.9	I576 L584 R585 V586 W597 E607 G608 V610	I576-V599 HydrophobicContact CD1-CG2 3.51Å; I576-V599 HydrophobicContact CG1-CG2 4.35Å; L584-V599 HydrophobicContact CB-CG2 4.45Å; L584-V599 HydrophobicContact CD1-CG2 4.35Å; R585-V599 CarbonylContact O-C 3.58Å; R585-V599 WeakPolarHBondContact O-CA 3.43Å; R585-V599 WeakPolarHBondContact O-CB 3.42Å; V586-V599 HydrophobicContact CB-CG1 4.49Å; V586-V599 HydrophobicContact CG2-CG1 4.11Å; W597-V599 HydrophobicContact CB-CG1 4.16Å; V599-E607 VanDerWaalsContact O-CA 3.3Å; V599-E607 WeakPolarHBondContact O-CA 3.5Å; V599-G608 PolarHBondContact N-O 3.27Å; V599-G608 PolarHBondContact O-N 3.02Å; V599-V610 HydrophobicContact CB-CG2 4.16Å; V599-V610 HydrophobicContact CG1-CG2 3.47Å; V599-V610 VanDerWaalsContact CG1-CG2 3.47Å; V599-V610 HydrophobicContact CG2-CB 4.2Å; V599-V610 HydrophobicContact CG2-CG1 3.57Å; V599-V610 HydrophobicContact CG2-CG2 3.52Å
600	V	95.5	Very high	86.5	Confident	18 Å²	18	65.5 Å²	65.5	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.7	166.6	60.9	0	0	0	0	109.9	L584 R585 L587 L602 Q606 E607	L584-V600 CarbonylContact C-O 3.57Å; L584-V600 WeakPolarHBondContact CA-O 3.43Å; R585-V600 HydrophobicContact CB-CG1 3.75Å; R585-V600 HydrophobicContact CG-CG1 4.49Å; R585-V600 PolarHBondContact N-O 3.07Å; R585-V600 PolarHBondContact O-N 3.31Å; L587-V600 HydrophobicContact CD1-CB 4.02Å; L587-V600 HydrophobicContact CD1-CG1 4.25Å; L587-V600 HydrophobicContact CD2-CG1 4.02Å; L587-V600 HydrophobicContact CG-CB 4.36Å; L587-V600 HydrophobicContact CG-CG1 4.12Å; V600-L602 HydrophobicContact CG1-CD2 4.16Å; V600-L602 PolarHBondContact O-N 3.12Å; V600-Q606 CarbonylContact C-O 3.58Å; V600-Q606 WeakPolarHBondContact CA-O 3.28Å; V600-E607 HydrophobicContact CB-CG 3.93Å; V600-E607 HydrophobicContact CG2-CG 3.92Å
601	H	95.6	Very high	87.4	Confident	7 Å²	7	63 Å²	63	3%	0.032	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.2	171.7	-170.5	-49.3	0	0	0	109.5	I576 D582 L584 A603 T604 G605 Q606	I576-H601 HydrophobicContact CD1-CB 4.05Å; D582-H601 IonicContact OD2-CE1 3.25Å; D582-H601 IonicContact OD2-NE2 2.65Å; D582-H601 PolarHBondContact OD2-NE2 2.81Å; L584-H601 HydrophobicContact CD2-CB 3.78Å; H601-A603 PolarHBondContact ND1-N 3.19Å; H601-A603 PolarHBondContact O-N 3.23Å; H601-T604 VanDerWaalsContact CB-OG1 3.31Å; H601-T604 WeakPolarHBondContact CB-OG1 3.27Å; H601-T604 PolarHBondContact ND1-N 3.47Å; H601-T604 PolarHBondContact O-N 3.35Å; H601-G605 VanDerWaalsContact O-CA 3.28Å; H601-G605 WeakPolarHBondContact O-CA 3.42Å; H601-G605 PolarHBondContact O-N 2.81Å; H601-Q606 PolarHBondContact N-O 3.47Å
602	L	91.3	Very high	88.8	Confident	54 Å²	54	59.5 Å²	59.5	28%	0.283	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.4	-169.6	-64.5	-175.3	0	0	0	113.2	E583 R585 V600	E583-L602 HydrophobicContact CB-CD1 4.21Å; E583-L602 VanDerWaalsContact CD-CD1 3.5Å; E583-L602 HydrophobicContact CG-CD1 3.63Å; E583-L602 HydrophobicContact CG-CG 4.5Å; E583-L602 WeakPolarHBondContact O-CB 3.32Å; E583-L602 PolarHBondContact O-N 2.9Å; R585-L602 HydrophobicContact CB-CD2 3.96Å; R585-L602 HydrophobicContact CB-CG 4.44Å; V600-L602 HydrophobicContact CG1-CD2 4.16Å; V600-L602 PolarHBondContact O-N 3.12Å
603	A	91.9	Very high	90.4	Very high	87 Å²	87	53.5 Å²	53.5	72%	0.719	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-41.4	176.8	0	0	0	0	0	114	H601	H601-A603 PolarHBondContact ND1-N 3.19Å; H601-A603 PolarHBondContact O-N 3.23Å
604	T	93	Very high	91.8	Very high	79 Å²	79	51 Å²	51	49%	0.485	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-19.6	-175.5	64.5	0	0	0	0	113.5	H601 Q606	H601-T604 VanDerWaalsContact CB-OG1 3.31Å; H601-T604 WeakPolarHBondContact CB-OG1 3.27Å; H601-T604 PolarHBondContact ND1-N 3.47Å; H601-T604 PolarHBondContact O-N 3.35Å; T604-Q606 PolarHBondContact O-N 2.99Å; T604-Q606 PolarHBondContact OG1-N 3.16Å
605	G	93.2	Very high	92.9	Very high	52 Å²	52	43.5 Å²	43.5	54%	0.536	24%	0.237	S	C	.	.			trans	71.7	8.1	-173.2	0	0	0	0	0	114.3	H601	H601-G605 VanDerWaalsContact O-CA 3.28Å; H601-G605 WeakPolarHBondContact O-CA 3.42Å; H601-G605 PolarHBondContact O-N 2.81Å
606	Q	94.4	Very high	93.2	Very high	110 Å²	110	40 Å²	40	51%	0.514	22%	0.219	S	C	.	.			trans	-78.6	140.4	179.3	-66.4	-180	-2.7	0	0	110.9	I576 V600 H601 T604	I576-Q606 HydrophobicContact CG2-CB 4.1Å; V600-Q606 CarbonylContact C-O 3.58Å; V600-Q606 WeakPolarHBondContact CA-O 3.28Å; H601-Q606 PolarHBondContact N-O 3.47Å; T604-Q606 PolarHBondContact O-N 2.99Å; T604-Q606 PolarHBondContact OG1-N 3.16Å
607	E	95.3	Very high	92.9	Very high	111 Å²	111	38 Å²	38	52%	0.519	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.2	174.4	-58.7	-171.6	-175.3	0	0	110.1	L587 W598 V599 V600	L587-E607 HydrophobicContact CD1-CG 4.13Å; W598-E607 HydrophobicContact CZ2-CB 3.93Å; W598-E607 PolarHBondContact NE1-OE2 3.45Å; V599-E607 VanDerWaalsContact O-CA 3.3Å; V599-E607 WeakPolarHBondContact O-CA 3.5Å; V600-E607 HydrophobicContact CB-CG 3.93Å; V600-E607 HydrophobicContact CG2-CG 3.92Å
608	G	94.3	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-178.2	173.9	0	0	0	0	0	112.9	D574 V599	D574-G608 CarbonylContact O-C 3.56Å; D574-G608 WeakPolarHBondContact O-CA 3.47Å; V599-G608 PolarHBondContact N-O 3.27Å; V599-G608 PolarHBondContact O-N 3.02Å
609	Y	93.5	Very high	90.1	Very high	45 Å²	45	37.2 Å²	37.2	18%	0.176	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	141.3	176	-70.7	-71.5	0	0	0	111.9	D574 E575 I576 E590 W596 W597 W598	D574-Y609 HydrophobicContact CB-CD2 4.07Å; D574-Y609 HydrophobicContact CB-CE2 4.5Å; D574-Y609 PolarHBondContact O-N 3.14Å; D574-Y609 WeakPolarHBondContact OD2-CD2 3.3Å; E575-Y609 WeakPolarHBondContact CA-O 3.47Å; I576-Y609 PolarHBondContact N-O 3.2Å; E590-Y609 VanDerWaalsContact CD-CE1 3.46Å; E590-Y609 VanDerWaalsContact CD-OH 3.29Å; E590-Y609 HydrophobicContact CG-CE1 4.34Å; E590-Y609 WeakPolarHBondContact OE1-CE1 3.35Å; E590-Y609 PolarHBondContact OE1-OH 2.92Å; E590-Y609 WeakPolarHBondContact OE2-CE1 3.37Å; E590-Y609 PolarHBondContact OE2-OH 3.01Å; W596-Y609 HydrophobicContact CB-CD1 4.36Å; W597-Y609 WeakPolarHBondContact O-CA 3.46Å; W598-Y609 HydrophobicContact CB-CE1 4.45Å; W598-Y609 AromaticContact CE3-CD1 3.84Å; W598-Y609 HydrophobicContact CE3-CD1 3.84Å; W598-Y609 AromaticContact CE3-CD2 3.62Å; W598-Y609 HydrophobicContact CE3-CD2 3.62Å; W598-Y609 AromaticContact CE3-CE1 3.74Å; W598-Y609 HydrophobicContact CE3-CE1 3.74Å; W598-Y609 AromaticContact CE3-CE2 3.51Å; W598-Y609 HydrophobicContact CE3-CE2 3.51Å; W598-Y609 AromaticContact CE3-CG 3.77Å; W598-Y609 HydrophobicContact CE3-CG 3.77Å; W598-Y609 AromaticContact CE3-CZ 3.57Å; W598-Y609 AromaticContact CZ3-CD2 3.47Å; W598-Y609 HydrophobicContact CZ3-CD2 3.47Å; W598-Y609 VanDerWaalsContact CZ3-CD2 3.47Å; W598-Y609 HydrophobicContact CZ3-CE1 4.46Å; W598-Y609 AromaticContact CZ3-CE2 3.38Å; W598-Y609 HydrophobicContact CZ3-CE2 3.38Å; W598-Y609 HydrophobicContact CZ3-CG 4.06Å; W598-Y609 AromaticContact CZ3-CZ 3.91Å
610	V	92.7	Very high	88	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.5	170.9	-61.8	0	0	0	0	111.4	I576 F578 W596 W597 V599 R612 L615	I576-V610 HydrophobicContact CD1-CG1 3.67Å; I576-V610 HydrophobicContact CG1-CG1 3.26Å; F578-V610 HydrophobicContact CD1-CG1 3.85Å; F578-V610 HydrophobicContact CE1-CB 3.75Å; F578-V610 HydrophobicContact CE1-CG1 3.47Å; F578-V610 VanDerWaalsContact CE1-CG1 3.47Å; F578-V610 HydrophobicContact CZ-CB 4.49Å; W596-V610 WeakPolarHBondContact CA-O 3.34Å; W597-V610 PolarHBondContact N-O 3.4Å; W597-V610 PolarHBondContact O-N 3.36Å; V599-V610 HydrophobicContact CB-CG2 4.16Å; V599-V610 HydrophobicContact CG1-CG2 3.47Å; V599-V610 VanDerWaalsContact CG1-CG2 3.47Å; V599-V610 HydrophobicContact CG2-CB 4.2Å; V599-V610 HydrophobicContact CG2-CG1 3.57Å; V599-V610 HydrophobicContact CG2-CG2 3.52Å; V610-R612 PolarHBondContact O-N 3.33Å; V610-L615 HydrophobicContact CG2-CD1 4.03Å; V610-L615 HydrophobicContact CG2-CD2 4.35Å
611	P	92.4	Very high	85.4	Confident	9 Å²	9	47.9 Å²	47.9	6%	0.058	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.4	174.2	30.1	-36.1	0	0	0	110.7	Y568 W596 N613 L614	Y568-P611 HydrophobicContact CD1-CG 4.4Å; Y568-P611 HydrophobicContact CD2-CG 4.02Å; Y568-P611 HydrophobicContact CE1-CG 4.27Å; Y568-P611 HydrophobicContact CE2-CG 3.9Å; Y568-P611 HydrophobicContact CG-CG 4.28Å; W596-P611 HydrophobicContact CE3-CB 4.46Å; W596-P611 HydrophobicContact CZ3-CB 4.41Å; W596-P611 HydrophobicContact CZ3-CG 4.48Å; P611-N613 WeakPolarHBondContact CB-OD1 2.83Å; P611-N613 PolarHBondContact O-N 3.15Å; P611-L614 HydrophobicContact CB-CD1 4.37Å; P611-L614 HydrophobicContact CB-CG 4.2Å; P611-L614 HydrophobicContact CG-CB 4.26Å; P611-L614 HydrophobicContact CG-CD1 3.48Å; P611-L614 VanDerWaalsContact CG-CD1 3.48Å; P611-L614 HydrophobicContact CG-CG 3.73Å; P611-L614 PolarHBondContact O-N 3.23Å
612	R	91.9	Very high	82.6	Confident	56 Å²	56	51 Å²	51	21%	0.211	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.6	-26.6	-175.2	76.3	-174	177.9	178.2	4.4	113.5	F519 K594 N595 W597 V610 L614 L615	F519-R612 HydrophobicContact CB-CG 4.14Å; F519-R612 HydrophobicContact CD2-CB 4.47Å; F519-R612 HydrophobicContact CD2-CG 4.35Å; F519-R612 HydrophobicContact CG-CG 4.15Å; K594-R612 PolarHBondContact O-NE 3.38Å; K594-R612 PolarHBondContact O-NH1 2.91Å; N595-R612 WeakPolarHBondContact O-CG 3.5Å; N595-R612 PolarHBondContact O-N 3.5Å; N595-R612 PolarHBondContact OD1-NE 3.21Å; N595-R612 PolarHBondContact OD1-NH2 3.02Å; W597-R612 HydrophobicContact CD2-CB 3.87Å; W597-R612 HydrophobicContact CE3-CB 4.26Å; W597-R612 HydrophobicContact CG-CB 4.18Å; W597-R612 HydrophobicContact CZ2-CB 4.38Å; V610-R612 PolarHBondContact O-N 3.33Å; R612-L614 PolarHBondContact O-N 3.26Å; R612-L615 WeakPolarHBondContact O-CB 3.28Å; R612-L615 PolarHBondContact O-N 3.38Å
613	N	92.4	Very high	79.9	Confident	51 Å²	51	58.2 Å²	58.2	27%	0.273	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68.3	-13.2	-179.9	60.6	-57.3	0	0	0	113.5	F519 P611	F519-N613 HydrophobicContact CB-CB 4.35Å; F519-N613 WeakPolarHBondContact O-CA 3.42Å; F519-N613 WeakPolarHBondContact O-CB 3.24Å; P611-N613 WeakPolarHBondContact CB-OD1 2.83Å; P611-N613 PolarHBondContact O-N 3.15Å
614	L	92.4	Very high	77	Confident	36 Å²	36	58.4 Å²	58.4	19%	0.188	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-99.2	5.1	177.6	-54	-167.4	0	0	0	112.6	G565 C566 Y568 F578 P611 R612	G565-L614 PolarHBondContact N-O 3.33Å; C566-L614 VanDerWaalsContact SG-CB 3.55Å; C566-L614 VanDerWaalsContact SG-CD2 3.58Å; Y568-L614 HydrophobicContact CD2-CD1 3.58Å; Y568-L614 HydrophobicContact CE2-CD1 4.39Å; Y568-L614 HydrophobicContact CG-CD1 4.03Å; F578-L614 HydrophobicContact CE2-CB 4.39Å; F578-L614 HydrophobicContact CZ-CB 4.2Å; P611-L614 HydrophobicContact CB-CD1 4.37Å; P611-L614 HydrophobicContact CB-CG 4.2Å; P611-L614 HydrophobicContact CG-CB 4.26Å; P611-L614 HydrophobicContact CG-CD1 3.48Å; P611-L614 VanDerWaalsContact CG-CD1 3.48Å; P611-L614 HydrophobicContact CG-CG 3.73Å; P611-L614 PolarHBondContact O-N 3.23Å; R612-L614 PolarHBondContact O-N 3.26Å
615	L	92.6	Very high	74.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.2	-176.7	-55.2	179.2	0	0	0	111.4	M554 V562 Y563 L584 W597 V610 R612	M554-L615 HydrophobicContact CE-CB 3.51Å; V562-L615 HydrophobicContact CG2-CD1 4.09Å; V562-L615 HydrophobicContact CG2-CD2 4.39Å; Y563-L615 CarbonylContact O-C 3.53Å; Y563-L615 WeakPolarHBondContact O-CA 3.41Å; L584-L615 HydrophobicContact CD1-CD2 3.69Å; W597-L615 HydrophobicContact CE3-CD1 3.85Å; W597-L615 HydrophobicContact CZ3-CD1 4.31Å; V610-L615 HydrophobicContact CG2-CD1 4.03Å; V610-L615 HydrophobicContact CG2-CD2 4.35Å; R612-L615 WeakPolarHBondContact O-CB 3.28Å; R612-L615 PolarHBondContact O-N 3.38Å
616	A	92	Very high	71.9	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.017	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	154.5	174	0	0	0	0	0	111.6	G515 M554 Y563	G515-A616 VanDerWaalsContact O-CB 3.32Å; G515-A616 WeakPolarHBondContact O-CB 3.25Å; M554-A616 WeakPolarHBondContact CE-O 3.44Å; Y563-A616 PolarHBondContact N-O 2.93Å; Y563-A616 PolarHBondContact O-N 3.4Å
617	V	85.9	Confident	68.7	Low	4 Å²	4	66.4 Å²	66.4	2%	0.024	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.7	177.9	-178.4	0	0	0	0	110.5	I518 L550 M554 I557 L619	I518-V617 HydrophobicContact CD1-CG2 3.83Å; I518-V617 HydrophobicContact CG1-CG2 4.47Å; L550-V617 HydrophobicContact CD1-CG1 4.14Å; L550-V617 HydrophobicContact CD1-CG2 4.23Å; L550-V617 HydrophobicContact CD2-CG2 4.33Å; L550-V617 HydrophobicContact CG-CG2 4.17Å; M554-V617 HydrophobicContact CB-CG2 3.99Å; M554-V617 HydrophobicContact CE-CG2 3.89Å; M554-V617 HydrophobicContact CG-CG2 3.66Å; M554-V617 HydrophobicContact SD-CG2 3.42Å; M554-V617 WeakPolarHBondContact SD-CG2 3.42Å; I557-V617 HydrophobicContact CD1-CG1 3.74Å; V617-L619 HydrophobicContact CG1-CD2 4.03Å; V617-L619 HydrophobicContact CG1-CG 4.3Å; V617-L619 PolarHBondContact O-N 3.08Å
618	C	67.8	Low	65.5	Low	10 Å²	10	65.7 Å²	65.7	7%	0.068	32%	0.322	C	S	.	.			trans	-85.9	98.6	164.5	-178	0	0	0	0	109	N558 Y563 F620	N558-C618 PolarHBondContact ND2-O 3.25Å; Y563-C618 HydrophobicContact CD2-CB 3.72Å; Y563-C618 HydrophobicContact CE2-CB 3.34Å; C618-F620 VanDerWaalsContact SG-C 3.54Å; C618-F620 PolarHBondContact SG-O 3.1Å
619	L	60.2	Low	62.3	Low	50 Å²	50	70 Å²	70	26%	0.262	35%	0.345	S	S	.	.	S	Bend	trans	-79.1	-26.8	172.6	-72.5	-178.9	0	0	0	112	V512 E513 L550 V617	V512-L619 HydrophobicContact CB-CD1 4.18Å; V512-L619 HydrophobicContact CG1-CD1 3.46Å; V512-L619 VanDerWaalsContact CG1-CD1 3.46Å; V512-L619 HydrophobicContact CG1-CG 4.08Å; E513-L619 HydrophobicContact CG-CB 4.33Å; E513-L619 HydrophobicContact CG-CD1 3.76Å; L550-L619 HydrophobicContact CD1-CD2 4.06Å; V617-L619 HydrophobicContact CG1-CD2 4.03Å; V617-L619 HydrophobicContact CG1-CG 4.3Å; V617-L619 PolarHBondContact O-N 3.08Å
620	F	50.2	Low	59.4	Low	133 Å²	133	73.6 Å²	73.6	58%	0.583	37%	0.374	S	S	*	.	S	Bend	trans	-137.2	151.5	172.3	-62.4	-79.7	0	0	0	108.6	E513 C618 M622	E513-F620 HydrophobicContact CG-CD2 4.44Å; E513-F620 HydrophobicContact CG-CE2 4.18Å; C618-F620 VanDerWaalsContact SG-C 3.54Å; C618-F620 PolarHBondContact SG-O 3.1Å; F620-M622 VanDerWaalsContact C-N 3.32Å; F620-M622 PolarHBondContact O-N 2.88Å
621	P	40.8	Very low	56.6	Low	109 Å²	109	79.3 Å²	79.3	71%	0.708	40%	0.404	S	S	*	.			trans	-54.5	104.6	166.8	23.4	-30.8	0	0	0	107	Y623	P621-Y623 PolarHBondContact O-N 3.37Å
622	M	37.5	Very low	53.7	Low	72 Å²	72	85.1 Å²	85.1	36%	0.355	43%	0.433	S	S	.	.			trans	-52.8	116	-177.9	-83.5	-76.2	-170.1	0	0	107.3	E513 F620 P624	E513-M622 WeakPolarHBondContact O-CE 3.41Å; F620-M622 VanDerWaalsContact C-N 3.32Å; F620-M622 PolarHBondContact O-N 2.88Å; M622-P624 WeakPolarHBondContact O-CD 3.5Å
623	Y	32.9	Very low	50.8	Low	206 Å²	206	90.2 Å²	90.2	81%	0.808	46%	0.464	S	S	*	.			trans	-60.7	124.2	153.4	-81.9	-87.7	0	0	0	104.9	P621 I625	P621-Y623 PolarHBondContact O-N 3.37Å; Y623-I625 PolarHBondContact O-N 3.16Å
624	P	32.7	Very low	47.8	Very low	92 Å²	92	93.1 Å²	93.1	60%	0.597	48%	0.483	S	S	*	.			trans	-62.6	99.2	-174.8	22.1	-31.2	0	0	0	109.5	M622 Y626 K627	M622-P624 WeakPolarHBondContact O-CD 3.5Å; P624-Y626 PolarHBondContact O-N 2.73Å; P624-K627 PolarHBondContact O-N 3.02Å
625	I	40.1	Very low	44.9	Very low	82 Å²	82	96.9 Å²	96.9	42%	0.421	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.8	176.4	-63.3	176.8	0	0	0	109.9	Y623	Y623-I625 PolarHBondContact O-N 3.16Å
626	Y	37.3	Very low	41.8	Very low	139 Å²	139	102.5 Å²	102.5	55%	0.545	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-96.1	17.6	-176.1	-60.5	-70.8	0	0	0	116.2	D581 P624	D581-Y626 WeakPolarHBondContact OD2-CD2 3.47Å; D581-Y626 VanDerWaalsContact OD2-CE2 3.28Å; D581-Y626 WeakPolarHBondContact OD2-CE2 3.35Å; P624-Y626 PolarHBondContact O-N 2.73Å
627	K	28.8	Very low	38.9	Very low	188 Å²	188	108.2 Å²	108.2	82%	0.817	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-99.4	18.9	157.9	-81.8	-170.4	-179.2	177.6	0	113.3	P624 D629	P624-K627 PolarHBondContact O-N 3.02Å; K627-D629 PolarHBondContact O-N 2.87Å; K627-D629 VanDerWaalsContact O-N 3.09Å
628	C	26.8	Very low	36.2	Very low	95 Å²	95	113.3 Å²	113.3	64%	0.642	61%	0.614	S	S	*	*			trans	-73	97.3	160.6	-72.6	0	0	0	0	108.4
629	D	27.8	Very low	34.4	Very low	91 Å²	91	120.5 Å²	120.5	49%	0.487	65%	0.652	S	S	.	*			trans	-43.2	125.2	163.7	-169.8	-28.9	0	0	0	108.7	K627 N631 I632	K627-D629 PolarHBondContact O-N 2.87Å; K627-D629 VanDerWaalsContact O-N 3.09Å; D629-N631 PolarHBondContact O-N 3.41Å; D629-N631 PolarHBondContact OD1-N 3.1Å; D629-N631 PolarHBondContact OD1-ND2 3.4Å; D629-I632 PolarHBondContact O-N 3.37Å; D629-I632 VanDerWaalsContact O-N 3.11Å
630	P	33.4	Very low	33.1	Very low	121 Å²	121	126.6 Å²	126.6	79%	0.786	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-2.9	-178.5	19.5	-30	0	0	0	114.2
631	N	32.1	Very low	32.3	Very low	120 Å²	120	126.3 Å²	126.3	64%	0.642	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	5.5	175.4	-62	-63.1	0	0	0	115.9	D629 L633	D629-N631 PolarHBondContact O-N 3.41Å; D629-N631 PolarHBondContact OD1-N 3.1Å; D629-N631 PolarHBondContact OD1-ND2 3.4Å; N631-L633 VanDerWaalsContact C-N 3.3Å; N631-L633 PolarHBondContact O-N 2.87Å
632	I	32.2	Very low	31.8	Very low	130 Å²	130	127.2 Å²	127.2	67%	0.667	72%	0.717	S	S	*	*			trans	-84	5.1	178	-76.9	175.9	0	0	0	114.4	D629 V634	D629-I632 PolarHBondContact O-N 3.37Å; D629-I632 VanDerWaalsContact O-N 3.11Å; I632-V634 PolarHBondContact O-N 2.99Å
633	L	30.6	Very low	31.5	Very low	164 Å²	164	130.3 Å²	130.3	86%	0.859	74%	0.737	S	S	*	*			trans	-74.4	42.7	157.1	-72.6	174.3	0	0	0	112.1	N631	N631-L633 VanDerWaalsContact C-N 3.3Å; N631-L633 PolarHBondContact O-N 2.87Å
634	V	29.7	Very low	31.4	Very low	111 Å²	111	125.8 Å²	125.8	67%	0.673	73%	0.733	S	S	*	*			trans	-95.6	94.4	158.3	-177.3	0	0	0	0	106.8	I632	I632-V634 PolarHBondContact O-N 2.99Å
635	V	30.8	Very low	31.4	Very low	115 Å²	115	127.9 Å²	127.9	70%	0.697	74%	0.742	S	S	*	*			trans	-48.9	127.7	164	-171.5	0	0	0	0	107.2	T637	V635-T637 PolarHBondContact O-N 3.22Å
636	P	28	Very low	30.8	Very low	118 Å²	118	131 Å²	131	77%	0.766	76%	0.763	S	S	*	*			trans	-62.3	107.8	-177.9	6.8	-3.4	0	0	0	108	S638	P636-S638 PolarHBondContact O-N 3.05Å; P636-S638 VanDerWaalsContact O-N 3.1Å
637	T	31.5	Very low	30.3	Very low	123 Å²	123	130.4 Å²	130.4	76%	0.755	78%	0.778	S	S	*	*			trans	-67.5	110.2	166.6	43	0	0	0	0	106.1	V635 N639	V635-T637 PolarHBondContact O-N 3.22Å; T637-N639 PolarHBondContact O-N 3.47Å
638	S	29.5	Very low	30.4	Very low	110 Å²	110	126 Å²	126	77%	0.769	78%	0.775	S	S	*	*			trans	-53.5	106.7	167.1	56.3	0	0	0	0	108.3	P636	P636-S638 PolarHBondContact O-N 3.05Å; P636-S638 VanDerWaalsContact O-N 3.1Å
639	N	29.4	Very low	30.7	Very low	161 Å²	161	128.6 Å²	128.6	86%	0.861	79%	0.787	S	S	*	*			trans	-156.6	85.3	160.7	-95.9	-15.3	0	0	0	108.9	T637	T637-N639 PolarHBondContact O-N 3.47Å
640	A	33.7	Very low	31	Very low	179 Å²	179	132 Å²	132	100%	1.479	81%	0.814	S	S	*	*			trans	-151.6	0	138.1	0	0	0	0	0	107.7

Retrieved 640 of 640 residues in 358.8 ms (Link to these results)

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