A0A096NI50_PAPAN Loading...

Guanylyl cyclase-activating protein 2

AlphaFold DB (Q9UMX6), UniProt , Accession A0A096NI50, Species PAPAN (Papio anubis, Olive baboon), Gene GUCA1B, Length 200 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	34.1	Very low	38.1	Very low	244 Å²	244	142.3 Å²	142.3	100%	1.202	72%	0.716	S	S	*	*				0	104.8	0	-68.8	-180	-172.6	0	0	106.3	Q3	M1-Q3 PolarHBondContact O-N 3.25Å
2	G	36.6	Very low	38.4	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	72%	0.717	S	S	*	*			trans	-76.8	119.1	-178.8	0	0	0	0	0	109.1	E4	G2-E4 PolarHBondContact O-N 2.92Å; G2-E4 VanDerWaalsContact O-N 3.08Å
3	Q	35.9	Very low	39	Very low	184 Å²	184	130.8 Å²	130.8	86%	0.86	69%	0.692	S	S	*	*			trans	-69	100.9	166.1	-90.2	174	-34.5	0	0	107.3	M1 F5	M1-Q3 PolarHBondContact O-N 3.25Å; Q3-F5 PolarHBondContact O-N 2.74Å; Q3-F5 VanDerWaalsContact O-N 3.13Å
4	E	38.7	Very low	39.9	Very low	191 Å²	191	125 Å²	125	89%	0.893	68%	0.679	S	S	*	*			trans	-61.6	105.9	154.7	-72.7	-176.2	87.2	0	0	106.3	G2 S6	G2-E4 PolarHBondContact O-N 2.92Å; G2-E4 VanDerWaalsContact O-N 3.08Å; E4-S6 PolarHBondContact O-N 3.1Å
5	F	38.5	Very low	41	Very low	145 Å²	145	129.5 Å²	129.5	64%	0.636	69%	0.694	S	S	*	*			trans	-69.9	100.1	178.7	-146.1	-98	0	0	0	107	Q3 W7	Q3-F5 PolarHBondContact O-N 2.74Å; Q3-F5 VanDerWaalsContact O-N 3.13Å; F5-W7 PolarHBondContact O-N 3.38Å
6	S	38	Very low	42.4	Very low	50 Å²	50	123.9 Å²	123.9	35%	0.35	66%	0.663	S	S	.	*			trans	-67.8	128.3	175.6	-177.5	0	0	0	0	108.8	E4 E8 E9	E4-S6 PolarHBondContact O-N 3.1Å; S6-E8 PolarHBondContact O-N 2.94Å; S6-E8 PolarHBondContact OG-OE2 2.75Å; S6-E9 PolarHBondContact O-N 2.99Å
7	W	39	Very low	44	Very low	165 Å²	165	122.8 Å²	122.8	63%	0.625	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-64.1	-10.1	-179.4	-57.7	96.8	0	0	0	113.5	F5 E9 A10	F5-W7 PolarHBondContact O-N 3.38Å; W7-E9 VanDerWaalsContact C-N 3.26Å; W7-E9 PolarHBondContact O-N 2.78Å; W7-A10 PolarHBondContact O-N 2.86Å
8	E	36	Very low	45.5	Very low	159 Å²	159	121.3 Å²	121.3	74%	0.743	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-65.8	-25.2	173.5	-70	173.4	101.6	0	0	112.9	S6 A10	S6-E8 PolarHBondContact O-N 2.94Å; S6-E8 PolarHBondContact OG-OE2 2.75Å; E8-A10 VanDerWaalsContact C-N 3.32Å; E8-A10 PolarHBondContact O-N 3Å
9	E	40.1	Very low	47.1	Very low	136 Å²	136	118.1 Å²	118.1	64%	0.636	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-78.3	-15.9	177.6	-65.8	-172	112.5	0	0	113.1	S6 W7	S6-E9 PolarHBondContact O-N 2.99Å; W7-E9 VanDerWaalsContact C-N 3.26Å; W7-E9 PolarHBondContact O-N 2.78Å
10	A	42	Very low	48.4	Very low	37 Å²	37	115.5 Å²	115.5	31%	0.306	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-79.2	-22.9	-178.3	0	0	0	0	0	113.4	W7 E8 A12	W7-A10 PolarHBondContact O-N 2.86Å; E8-A10 VanDerWaalsContact C-N 3.32Å; E8-A10 PolarHBondContact O-N 3Å; A10-A12 PolarHBondContact O-N 2.87Å
11	E	40.1	Very low	49.6	Very low	176 Å²	176	113 Å²	113	82%	0.822	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-74.2	-12.3	178.6	-68.7	-165.8	121.1	0	0	113.4
12	A	41.4	Very low	51.6	Low	88 Å²	88	106.8 Å²	106.8	73%	0.727	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-93.1	0.2	179.7	0	0	0	0	0	114.4	A10 G14	A10-A12 PolarHBondContact O-N 2.87Å; A12-G14 PolarHBondContact O-N 2.9Å
13	A	46.3	Very low	53.5	Low	47 Å²	47	107 Å²	107	39%	0.388	56%	0.562	S	S	.	*			trans	-78.4	94.2	-177.6	0	0	0	0	0	110.7	R87	A13-R87 HydrophobicContact CB-CB 4.19Å; A13-R87 HydrophobicContact CB-CG 3.71Å
14	G	51.8	Low	55.4	Low	50 Å²	50	99.7 Å²	99.7	52%	0.515	53%	0.526	S	S	.	.			trans	-55.1	176.5	178.4	0	0	0	0	0	114.7	A12 R87	A12-G14 PolarHBondContact O-N 2.9Å; G14-R87 PolarHBondContact O-NH1 3.46Å
15	E	57.2	Low	57.2	Low	193 Å²	193	96.5 Å²	96.5	90%	0.902	51%	0.507	S	S	*	.	S	Bend	trans	-49	145.7	177.9	-71.4	172.4	87.8	0	0	111.9	D17 R87	E15-D17 PolarHBondContact O-N 2.9Å; E15-R87 PolarHBondContact O-NH1 2.82Å
16	I	63.2	Low	59.1	Low	39 Å²	39	95.3 Å²	95.3	20%	0.2	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-60.8	116	175.4	-65	164.9	0	0	0	107.6	E20 L21 W24 V79 N83	I16-E20 HydrophobicContact CG2-CB 4.27Å; I16-L21 HydrophobicContact CG2-CB 4.21Å; I16-L21 HydrophobicContact CG2-CD1 4.22Å; I16-W24 HydrophobicContact CD1-CH2 4.01Å; I16-W24 HydrophobicContact CD1-CZ3 3.66Å; I16-W24 HydrophobicContact CG1-CH2 4.28Å; I16-W24 HydrophobicContact CG1-CZ3 4.3Å; I16-W24 HydrophobicContact CG2-CH2 4.49Å; I16-W24 HydrophobicContact CG2-CZ3 4.23Å; I16-V79 HydrophobicContact CD1-CG1 4.11Å; I16-N83 HydrophobicContact CD1-CB 3.56Å; I16-N83 WeakPolarHBondContact CD1-OD1 3.33Å
17	D	68.5	Low	60.8	Low	105 Å²	105	95.8 Å²	95.8	56%	0.561	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-66.9	143.6	176	-171.3	9.2	0	0	0	109.5	E15 A19 E20 L21	E15-D17 PolarHBondContact O-N 2.9Å; D17-A19 PolarHBondContact O-N 2.6Å; D17-A19 VanDerWaalsContact O-N 3.11Å; D17-E20 WeakPolarHBondContact O-CB 3.33Å; D17-E20 PolarHBondContact O-N 2.89Å; D17-L21 PolarHBondContact O-N 3.33Å; D17-L21 VanDerWaalsContact O-N 3.09Å
18	V	71.2	Confident	62.6	Low	97 Å²	97	88.3 Å²	88.3	59%	0.588	47%	0.469	S	S	*	.	H	α-helix	trans	-55.6	-33.2	-179.2	179.2	0	0	0	0	110.8	L21 Q22	V18-L21 PolarHBondContact O-N 3.35Å; V18-Q22 WeakPolarHBondContact O-CG 3.17Å; V18-Q22 PolarHBondContact O-N 2.86Å
19	A	76.1	Confident	64.6	Low	59 Å²	59	83.2 Å²	83.2	49%	0.488	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-40.1	176	0	0	0	0	0	112.8	D17 Q22 E23	D17-A19 PolarHBondContact O-N 2.6Å; D17-A19 VanDerWaalsContact O-N 3.11Å; A19-Q22 PolarHBondContact O-N 3.42Å; A19-E23 PolarHBondContact O-N 2.73Å; A19-E23 VanDerWaalsContact O-N 3.13Å
20	E	73.2	Confident	66.3	Low	66 Å²	66	83.5 Å²	83.5	31%	0.308	45%	0.452	S	S	.	.	H	α-helix	trans	-70.7	-39	177.6	-169.7	174.2	166.8	0	0	110.9	I16 D17 Q22 E23 W24 R87	I16-E20 HydrophobicContact CG2-CB 4.27Å; D17-E20 WeakPolarHBondContact O-CB 3.33Å; D17-E20 PolarHBondContact O-N 2.89Å; E20-Q22 PolarHBondContact O-N 3.44Å; E20-E23 PolarHBondContact O-N 2.86Å; E20-W24 HydrophobicContact CG-CZ2 3.89Å; E20-W24 PolarHBondContact O-N 3.42Å; E20-W24 WeakPolarHBondContact OE1-CZ2 3.24Å; E20-R87 IonicContact OE1-CZ 2.72Å; E20-R87 IonicContact OE1-NH2 2.71Å; E20-R87 PolarHBondContact OE1-NH2 3.31Å; E20-R87 IonicContact OE2-CZ 3.69Å; E20-R87 IonicContact OE2-NH2 3.01Å; E20-R87 PolarHBondContact OE2-NH2 2.97Å
21	L	74.1	Confident	67.7	Low	63 Å²	63	86.7 Å²	86.7	33%	0.33	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-42.6	173.8	-162.4	106.1	0	0	0	111.9	I16 D17 V18 E23 W24 Y25 F75 V79	I16-L21 HydrophobicContact CG2-CB 4.21Å; I16-L21 HydrophobicContact CG2-CD1 4.22Å; D17-L21 PolarHBondContact O-N 3.33Å; D17-L21 VanDerWaalsContact O-N 3.09Å; V18-L21 PolarHBondContact O-N 3.35Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.09Å; L21-W24 PolarHBondContact O-N 3.36Å; L21-Y25 WeakPolarHBondContact O-CB 3.41Å; L21-Y25 PolarHBondContact O-N 2.79Å; L21-F75 HydrophobicContact CD2-CE1 4.12Å; L21-F75 HydrophobicContact CG-CE1 4.13Å; L21-F75 HydrophobicContact CG-CZ 4.11Å; L21-V79 HydrophobicContact CD1-CB 4.39Å; L21-V79 HydrophobicContact CD1-CG1 3.54Å; L21-V79 HydrophobicContact CD1-CG2 3.96Å; L21-V79 HydrophobicContact CG-CG2 4.48Å
22	Q	75	Confident	69.2	Low	115 Å²	115	78.4 Å²	78.4	54%	0.537	42%	0.422	S	S	.	.	H	α-helix	trans	-62.8	-38.7	175.8	-78.1	-177.9	-9.6	0	0	112.2	V18 A19 E20 Y25 K26	V18-Q22 WeakPolarHBondContact O-CG 3.17Å; V18-Q22 PolarHBondContact O-N 2.86Å; A19-Q22 PolarHBondContact O-N 3.42Å; E20-Q22 PolarHBondContact O-N 3.44Å; Q22-Y25 PolarHBondContact O-N 2.98Å; Q22-K26 WeakPolarHBondContact O-CG 3.21Å; Q22-K26 PolarHBondContact O-N 3.48Å
23	E	77	Confident	70.7	Confident	83 Å²	83	79.7 Å²	79.7	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-42.4	176.4	-173.8	60	-158.4	0	0	111.2	A19 E20 L21 Y25 K26 K27	A19-E23 PolarHBondContact O-N 2.73Å; A19-E23 VanDerWaalsContact O-N 3.13Å; E20-E23 PolarHBondContact O-N 2.86Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.09Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; E23-K26 PolarHBondContact O-N 2.92Å; E23-K27 WeakPolarHBondContact O-CG 3.26Å; E23-K27 PolarHBondContact O-N 2.75Å; E23-K27 WeakPolarHBondContact OE1-CE 3.27Å; E23-K27 IonicContact OE1-NZ 3.79Å
24	W	75.1	Confident	72.1	Confident	29 Å²	29	81 Å²	81	11%	0.11	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-40.5	174	-66.4	-5.3	0	0	0	112	I16 E20 L21 K27 F28 F75 V79 L82 L86	I16-W24 HydrophobicContact CD1-CH2 4.01Å; I16-W24 HydrophobicContact CD1-CZ3 3.66Å; I16-W24 HydrophobicContact CG1-CH2 4.28Å; I16-W24 HydrophobicContact CG1-CZ3 4.3Å; I16-W24 HydrophobicContact CG2-CH2 4.49Å; I16-W24 HydrophobicContact CG2-CZ3 4.23Å; E20-W24 HydrophobicContact CG-CZ2 3.89Å; E20-W24 PolarHBondContact O-N 3.42Å; E20-W24 WeakPolarHBondContact OE1-CZ2 3.24Å; L21-W24 PolarHBondContact O-N 3.36Å; W24-K27 PolarHBondContact O-N 3.48Å; W24-F28 VanDerWaalsContact O-CB 3.23Å; W24-F28 WeakPolarHBondContact O-CB 3.01Å; W24-F28 PolarHBondContact O-N 2.89Å; W24-F75 HydrophobicContact CB-CE2 4.24Å; W24-F75 HydrophobicContact CB-CZ 4.44Å; W24-V79 HydrophobicContact CE3-CG1 4.22Å; W24-V79 HydrophobicContact CE3-CG2 4.19Å; W24-V79 HydrophobicContact CZ3-CG1 4.12Å; W24-L82 HydrophobicContact CB-CD1 4.44Å; W24-L82 HydrophobicContact CD2-CD1 3.48Å; W24-L82 VanDerWaalsContact CD2-CD1 3.48Å; W24-L82 HydrophobicContact CE3-CB 4.2Å; W24-L82 HydrophobicContact CE3-CD1 3.55Å; W24-L82 HydrophobicContact CG-CD1 3.9Å; W24-L82 HydrophobicContact CH2-CB 3.96Å; W24-L82 HydrophobicContact CH2-CD1 4.34Å; W24-L82 HydrophobicContact CZ2-CB 4.5Å; W24-L82 HydrophobicContact CZ2-CD1 4.29Å; W24-L82 HydrophobicContact CZ3-CB 3.77Å; W24-L82 HydrophobicContact CZ3-CD1 3.98Å; W24-L86 HydrophobicContact CH2-CD1 3.97Å; W24-L86 HydrophobicContact CZ2-CD1 3.71Å
25	Y	76.4	Confident	73.3	Confident	124 Å²	124	80 Å²	80	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-61.2	-47.7	176.2	-173	-104.8	0	0	0	111.6	L21 Q22 E23 K27 F28 V29 F75	L21-Y25 WeakPolarHBondContact O-CB 3.41Å; L21-Y25 PolarHBondContact O-N 2.79Å; Q22-Y25 PolarHBondContact O-N 2.98Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-K27 VanDerWaalsContact C-N 3.33Å; Y25-K27 PolarHBondContact O-N 2.76Å; Y25-F28 PolarHBondContact O-N 3.02Å; Y25-V29 HydrophobicContact CD1-CG2 4.16Å; Y25-V29 HydrophobicContact CD2-CG2 4.32Å; Y25-V29 HydrophobicContact CE1-CG2 3.76Å; Y25-V29 HydrophobicContact CE2-CG2 3.95Å; Y25-V29 HydrophobicContact CG-CG2 4.43Å; Y25-V29 WeakPolarHBondContact O-CG2 3.45Å; Y25-V29 PolarHBondContact O-N 2.89Å; Y25-F75 VanDerWaalsContact CB-CZ 3.45Å; Y25-F75 HydrophobicContact CD2-CB 4.32Å; Y25-F75 AromaticContact CD2-CD1 3.56Å; Y25-F75 HydrophobicContact CD2-CD1 3.56Å; Y25-F75 AromaticContact CD2-CD2 3.68Å; Y25-F75 HydrophobicContact CD2-CD2 3.68Å; Y25-F75 AromaticContact CD2-CE1 3.67Å; Y25-F75 HydrophobicContact CD2-CE1 3.67Å; Y25-F75 AromaticContact CD2-CE2 3.82Å; Y25-F75 HydrophobicContact CD2-CE2 3.82Å; Y25-F75 AromaticContact CD2-CG 3.55Å; Y25-F75 HydrophobicContact CD2-CG 3.55Å; Y25-F75 AromaticContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CE2-CB 4.4Å; Y25-F75 HydrophobicContact CE2-CD1 4.18Å; Y25-F75 HydrophobicContact CE2-CG 4.09Å; Y25-F75 HydrophobicContact CG-CE1 4.28Å; Y25-F75 HydrophobicContact CG-CE2 4.27Å; Y25-F75 HydrophobicContact CG-CZ 4.13Å; Y25-F75 VanDerWaalsContact N-CE2 3.33Å
26	K	79	Confident	74.4	Confident	120 Å²	120	72.5 Å²	72.5	52%	0.522	39%	0.387	S	S	.	.	H	α-helix	trans	-57.8	-46.8	176.6	-74.8	174.7	-176.4	173.4	0	111.4	Q22 E23 V29 M30	Q22-K26 WeakPolarHBondContact O-CG 3.21Å; Q22-K26 PolarHBondContact O-N 3.48Å; E23-K26 PolarHBondContact O-N 2.92Å; K26-V29 PolarHBondContact O-N 3Å; K26-M30 WeakPolarHBondContact O-CB 3.45Å; K26-M30 VanDerWaalsContact O-CG 3.26Å; K26-M30 WeakPolarHBondContact O-CG 3.41Å; K26-M30 PolarHBondContact O-N 2.76Å
27	K	74.7	Confident	75.3	Confident	61 Å²	61	70.9 Å²	70.9	27%	0.265	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-43.7	177.9	-71.1	-179.2	-172.6	-172.7	0	112.2	E23 W24 Y25 M30 E31 S197	E23-K27 WeakPolarHBondContact O-CG 3.26Å; E23-K27 PolarHBondContact O-N 2.75Å; E23-K27 WeakPolarHBondContact OE1-CE 3.27Å; E23-K27 IonicContact OE1-NZ 3.79Å; W24-K27 PolarHBondContact O-N 3.48Å; Y25-K27 VanDerWaalsContact C-N 3.33Å; Y25-K27 PolarHBondContact O-N 2.76Å; K27-M30 HydrophobicContact CG-CE 4.18Å; K27-M30 PolarHBondContact O-N 2.71Å; K27-E31 PolarHBondContact O-N 3.03Å; K27-S197 PolarHBondContact NZ-OG 3.38Å
28	F	76	Confident	75.9	Confident	7 Å²	7	69.6 Å²	69.6	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-46.3	179.5	-175.6	-98.3	0	0	0	111.6	W24 Y25 M30 E31 C32 G35 L37 F75 Y78	W24-F28 VanDerWaalsContact O-CB 3.23Å; W24-F28 WeakPolarHBondContact O-CB 3.01Å; W24-F28 PolarHBondContact O-N 2.89Å; Y25-F28 PolarHBondContact O-N 3.02Å; F28-M30 VanDerWaalsContact C-N 3.35Å; F28-M30 PolarHBondContact O-N 2.93Å; F28-E31 PolarHBondContact O-N 3.44Å; F28-C32 WeakPolarHBondContact O-CA 3.43Å; F28-C32 WeakPolarHBondContact O-CB 3.17Å; F28-C32 PolarHBondContact O-N 2.9Å; F28-G35 WeakPolarHBondContact CE1-O 3.35Å; F28-L37 HydrophobicContact CE2-CB 3.87Å; F28-L37 HydrophobicContact CZ-CB 4.02Å; F28-F75 HydrophobicContact CB-CD2 4.01Å; F28-F75 HydrophobicContact CB-CE2 4.31Å; F28-F75 HydrophobicContact CD1-CB 4.22Å; F28-F75 AromaticContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CB 4.17Å; F28-F75 AromaticContact CG-CD2 3.98Å; F28-F75 HydrophobicContact CG-CD2 3.98Å; F28-Y78 AromaticContact CD2-CD1 3.79Å; F28-Y78 HydrophobicContact CD2-CD1 3.79Å; F28-Y78 AromaticContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CE1 4.14Å; F28-Y78 HydrophobicContact CD2-CE2 4.3Å; F28-Y78 AromaticContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CE2-CD1 4.4Å; F28-Y78 HydrophobicContact CE2-CD2 4.03Å; F28-Y78 AromaticContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CG-CD1 4.41Å
29	V	78.6	Confident	76.3	Confident	52 Å²	52	66.6 Å²	66.6	32%	0.315	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-32.8	177.7	175.7	0	0	0	0	112.3	Y25 K26 C32 P33	Y25-V29 HydrophobicContact CD1-CG2 4.16Å; Y25-V29 HydrophobicContact CD2-CG2 4.32Å; Y25-V29 HydrophobicContact CE1-CG2 3.76Å; Y25-V29 HydrophobicContact CE2-CG2 3.95Å; Y25-V29 HydrophobicContact CG-CG2 4.43Å; Y25-V29 WeakPolarHBondContact O-CG2 3.45Å; Y25-V29 PolarHBondContact O-N 2.89Å; K26-V29 PolarHBondContact O-N 3Å; V29-C32 CarbonylContact O-C 3.34Å; V29-P33 WeakPolarHBondContact O-CA 3.44Å
30	M	75.7	Confident	76.4	Confident	142 Å²	142	69.4 Å²	69.4	70%	0.7	35%	0.351	S	S	*	.	H	α-helix	trans	-66	-40.5	175.2	-78.3	-170.6	-61.2	0	0	112.5	K26 K27 F28	K26-M30 WeakPolarHBondContact O-CB 3.45Å; K26-M30 VanDerWaalsContact O-CG 3.26Å; K26-M30 WeakPolarHBondContact O-CG 3.41Å; K26-M30 PolarHBondContact O-N 2.76Å; K27-M30 HydrophobicContact CG-CE 4.18Å; K27-M30 PolarHBondContact O-N 2.71Å; F28-M30 VanDerWaalsContact C-N 3.35Å; F28-M30 PolarHBondContact O-N 2.93Å
31	E	70.2	Confident	76.5	Confident	105 Å²	105	67.5 Å²	67.5	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-81.7	-34.3	178.8	-69.8	-74.4	140.5	0	0	112.2	K27 F28 F45	K27-E31 PolarHBondContact O-N 3.03Å; F28-E31 PolarHBondContact O-N 3.44Å; E31-F45 HydrophobicContact CB-CZ 4.12Å; E31-F45 HydrophobicContact CG-CZ 4.39Å; E31-F45 VanDerWaalsContact OE2-CE1 3.3Å; E31-F45 WeakPolarHBondContact OE2-CE1 3.32Å; E31-F45 WeakPolarHBondContact OE2-CZ 3.45Å
32	C	72.4	Confident	76.6	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.014	33%	0.328	C	S	.	.			trans	-122.9	84.4	-178.7	-65.3	0	0	0	0	109.8	F28 V29 S34 G35 L37	F28-C32 WeakPolarHBondContact O-CA 3.43Å; F28-C32 WeakPolarHBondContact O-CB 3.17Å; F28-C32 PolarHBondContact O-N 2.9Å; V29-C32 CarbonylContact O-C 3.34Å; C32-S34 PolarHBondContact O-N 2.86Å; C32-S34 VanDerWaalsContact O-N 3.08Å; C32-G35 PolarHBondContact O-N 3.09Å; C32-L37 WeakPolarHBondContact SG-CD1 3.24Å
33	P	73	Confident	76.4	Confident	115 Å²	115	61.2 Å²	61.2	75%	0.747	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.9	-179.2	25	-34	0	0	0	113.3	V29 G35	V29-P33 WeakPolarHBondContact O-CA 3.44Å; P33-G35 PolarHBondContact O-N 3.3Å
34	S	76.5	Confident	76.1	Confident	73 Å²	73	64 Å²	64	51%	0.51	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.8	171.6	44.7	0	0	0	0	113.9	C32 T36	C32-S34 PolarHBondContact O-N 2.86Å; C32-S34 VanDerWaalsContact O-N 3.08Å; S34-T36 PolarHBondContact O-N 2.91Å; S34-T36 PolarHBondContact OG-O 3.3Å
35	G	75.5	Confident	75.6	Confident	31 Å²	31	64.7 Å²	64.7	32%	0.32	32%	0.321	S	S	.	.	S	Bend	trans	74.9	7.5	-170.8	0	0	0	0	0	114	F28 C32 P33	F28-G35 WeakPolarHBondContact CE1-O 3.35Å; C32-G35 PolarHBondContact O-N 3.09Å; P33-G35 PolarHBondContact O-N 3.3Å
36	T	81.8	Confident	74.9	Confident	35 Å²	35	61.4 Å²	61.4	22%	0.215	31%	0.309	C	S	.	.	S	Bend	trans	-141.6	140.7	176.2	55.3	0	0	0	0	110	S34	S34-T36 PolarHBondContact O-N 2.91Å; S34-T36 PolarHBondContact OG-O 3.3Å
37	L	80.6	Confident	74.2	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.8	179	178.7	70.4	0	0	0	109.1	F28 C32 E41 F42 F45 F62 I73	F28-L37 HydrophobicContact CE2-CB 3.87Å; F28-L37 HydrophobicContact CZ-CB 4.02Å; C32-L37 WeakPolarHBondContact SG-CD1 3.24Å; L37-E41 HydrophobicContact CD1-CB 3.59Å; L37-F42 HydrophobicContact CD2-CD2 3.65Å; L37-F42 HydrophobicContact CD2-CE2 4.37Å; L37-F42 HydrophobicContact CG-CD2 4.47Å; L37-F45 HydrophobicContact CD1-CD2 4.01Å; L37-F45 HydrophobicContact CD1-CE2 3.57Å; L37-F62 WeakPolarHBondContact O-CE2 3.49Å; L37-F62 WeakPolarHBondContact O-CZ 3.32Å; L37-I73 HydrophobicContact CB-CB 4.15Å; L37-I73 HydrophobicContact CD2-CB 4.49Å; L37-I73 HydrophobicContact CD2-CD1 4.46Å; L37-I73 PolarHBondContact N-O 3.45Å; L37-I73 PolarHBondContact O-N 3.47Å
38	F	82.9	Confident	73.5	Confident	78 Å²	78	61 Å²	61	34%	0.342	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.8	178.1	-68	-87.8	0	0	0	111.6	H40 E41 F42 T72	F38-H40 WeakPolarHBondContact CB-CE1 3.32Å; F38-H40 VanDerWaalsContact CB-ND1 3.34Å; F38-H40 WeakPolarHBondContact CB-ND1 3.32Å; F38-H40 AromaticContact CG-CE1 3.66Å; F38-H40 PolarHBondContact O-N 3.43Å; F38-H40 VanDerWaalsContact O-N 3.14Å; F38-E41 HydrophobicContact CB-CG 4.35Å; F38-E41 WeakPolarHBondContact O-CA 3.26Å; F38-E41 WeakPolarHBondContact O-CB 3.28Å; F38-E41 PolarHBondContact O-N 3.15Å; F38-F42 PolarHBondContact O-N 2.86Å; F38-T72 HydrophobicContact CD1-CG2 3.71Å; F38-T72 HydrophobicContact CE1-CG2 3.57Å; F38-T72 HydrophobicContact CG-CG2 4.5Å; F38-T72 HydrophobicContact CZ-CG2 4.27Å
39	M	79.4	Confident	72.7	Confident	34 Å²	34	65.6 Å²	65.6	17%	0.167	34%	0.338	C	S	.	.	H	α-helix	trans	-49.7	-41.6	176.8	-176.6	66.6	78	0	0	113.5	F42 K43 E59 F62	M39-F42 WeakPolarHBondContact O-CB 3.15Å; M39-F42 PolarHBondContact O-N 3.17Å; M39-K43 HydrophobicContact CG-CD 4.42Å; M39-K43 WeakPolarHBondContact O-CG 3.38Å; M39-K43 PolarHBondContact O-N 3.18Å; M39-E59 HydrophobicContact CE-CB 4.06Å; M39-E59 HydrophobicContact CE-CG 3.76Å; M39-E59 HydrophobicContact CG-CG 4.29Å; M39-E59 HydrophobicContact SD-CB 4.27Å; M39-E59 HydrophobicContact SD-CG 3.63Å; M39-F62 HydrophobicContact CB-CE1 4.5Å; M39-F62 HydrophobicContact CB-CE2 4.4Å; M39-F62 HydrophobicContact CB-CZ 4.32Å; M39-F62 HydrophobicContact CE-CB 3.55Å; M39-F62 HydrophobicContact CE-CD1 3.2Å; M39-F62 HydrophobicContact CE-CD2 4.29Å; M39-F62 HydrophobicContact CE-CE1 3.92Å; M39-F62 HydrophobicContact CE-CG 3.41Å; M39-F62 VanDerWaalsContact CE-CG 3.41Å; M39-F62 HydrophobicContact SD-CB 3.56Å; M39-F62 VanDerWaalsContact SD-CB 3.56Å; M39-F62 HydrophobicContact SD-CD1 3.95Å; M39-F62 HydrophobicContact SD-CD2 3.93Å; M39-F62 HydrophobicContact SD-CG 3.53Å; M39-F62 VanDerWaalsContact SD-CG 3.53Å
40	H	76.6	Confident	71.9	Confident	118 Å²	118	70.6 Å²	70.6	55%	0.546	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-36.4	179.7	65	-89.9	0	0	0	112.5	F38 R44	F38-H40 WeakPolarHBondContact CB-CE1 3.32Å; F38-H40 VanDerWaalsContact CB-ND1 3.34Å; F38-H40 WeakPolarHBondContact CB-ND1 3.32Å; F38-H40 AromaticContact CG-CE1 3.66Å; F38-H40 PolarHBondContact O-N 3.43Å; F38-H40 VanDerWaalsContact O-N 3.14Å; H40-R44 WeakPolarHBondContact O-CB 3.46Å; H40-R44 PolarHBondContact O-N 2.89Å
41	E	76.5	Confident	71.4	Confident	26 Å²	26	66.7 Å²	66.7	12%	0.121	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-44.4	173.3	-61.6	-68	89.5	0	0	109.6	L37 F38 R44 F45	L37-E41 HydrophobicContact CD1-CB 3.59Å; F38-E41 HydrophobicContact CB-CG 4.35Å; F38-E41 WeakPolarHBondContact O-CA 3.26Å; F38-E41 WeakPolarHBondContact O-CB 3.28Å; F38-E41 PolarHBondContact O-N 3.15Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 3.02Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.03Å; E41-R44 IonicContact OE1-NE 3.96Å; E41-R44 IonicContact OE1-NH1 2.69Å; E41-R44 PolarHBondContact OE1-NH1 2.89Å; E41-R44 IonicContact OE1-NH2 3.99Å; E41-R44 PolarHBondContact OE1-NH2 2.72Å; E41-R44 IonicContact OE2-CZ 3.49Å; E41-R44 IonicContact OE2-NH1 3.71Å; E41-R44 IonicContact OE2-NH2 3.76Å; E41-R44 PolarHBondContact OE2-NH2 3.11Å; E41-F45 HydrophobicContact CB-CE2 4.43Å; E41-F45 WeakPolarHBondContact O-CD2 3.3Å; E41-F45 PolarHBondContact O-N 3.01Å
42	F	75.7	Confident	71.3	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-48.2	176	-162.5	-111	0	0	0	112.2	L37 F38 M39 R44 F45 F46 V58 M61 F62 F65 I73	L37-F42 HydrophobicContact CD2-CD2 3.65Å; L37-F42 HydrophobicContact CD2-CE2 4.37Å; L37-F42 HydrophobicContact CG-CD2 4.47Å; F38-F42 PolarHBondContact O-N 2.86Å; M39-F42 WeakPolarHBondContact O-CB 3.15Å; M39-F42 PolarHBondContact O-N 3.17Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 3Å; F42-F45 WeakPolarHBondContact O-CB 3.41Å; F42-F45 PolarHBondContact O-N 3.45Å; F42-F46 HydrophobicContact CD1-CD2 4.2Å; F42-F46 HydrophobicContact CD1-CE2 4.04Å; F42-F46 HydrophobicContact CD2-CE2 4.26Å; F42-F46 HydrophobicContact CE1-CD2 4.08Å; F42-F46 AromaticContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CZ 4.41Å; F42-F46 AromaticContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CG-CE2 4.38Å; F42-F46 HydrophobicContact CZ-CD2 4.36Å; F42-F46 AromaticContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CE2 3.42Å; F42-F46 VanDerWaalsContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CZ 4.1Å; F42-F46 WeakPolarHBondContact O-CD2 3.14Å; F42-F46 PolarHBondContact O-N 3.17Å; F42-V58 HydrophobicContact CD1-CG1 3.38Å; F42-V58 HydrophobicContact CE1-CG1 3.75Å; F42-V58 HydrophobicContact CG-CG1 4.46Å; F42-M61 HydrophobicContact CE1-CB 4.27Å; F42-M61 HydrophobicContact CE1-CG 4.14Å; F42-M61 HydrophobicContact CZ-CG 3.98Å; F42-F62 HydrophobicContact CB-CD2 3.64Å; F42-F62 HydrophobicContact CB-CE2 4.03Å; F42-F62 HydrophobicContact CD1-CB 3.81Å; F42-F62 AromaticContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CG 4.28Å; F42-F62 HydrophobicContact CD2-CD2 4.23Å; F42-F62 HydrophobicContact CE1-CB 3.95Å; F42-F62 HydrophobicContact CE1-CD2 4.41Å; F42-F62 AromaticContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CE2 4.39Å; F42-F65 HydrophobicContact CZ-CD2 4.11Å; F42-F65 HydrophobicContact CZ-CE2 4.2Å; F42-I73 HydrophobicContact CD2-CD1 4.38Å; F42-I73 HydrophobicContact CE2-CD1 4.32Å
43	K	71.1	Confident	70.8	Confident	40 Å²	40	73.5 Å²	73.5	17%	0.174	38%	0.376	C	S	.	.	H	α-helix	trans	-58.7	-41.4	173.7	-72.8	-177.8	-178.1	-170.5	0	112.5	M39 F45 F46 K47 V48 S55 V58 E59	M39-K43 HydrophobicContact CG-CD 4.42Å; M39-K43 WeakPolarHBondContact O-CG 3.38Å; M39-K43 PolarHBondContact O-N 3.18Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.81Å; K43-F46 PolarHBondContact O-N 3.32Å; K43-K47 PolarHBondContact O-N 3.47Å; K43-K47 VanDerWaalsContact O-N 3.16Å; K43-V48 PolarHBondContact O-N 3.34Å; K43-V48 VanDerWaalsContact O-N 3.16Å; K43-S55 WeakPolarHBondContact CD-OG 3.41Å; K43-S55 WeakPolarHBondContact CE-OG 3.38Å; K43-S55 PolarHBondContact NZ-OG 2.99Å; K43-V58 HydrophobicContact CG-CG1 3.91Å; K43-E59 VanDerWaalsContact CE-CG 3.43Å; K43-E59 WeakPolarHBondContact CE-OE1 3.26Å; K43-E59 VanDerWaalsContact NZ-CD 3.26Å; K43-E59 IonicContact NZ-OE1 3.07Å; K43-E59 PolarHBondContact NZ-OE1 2.93Å
44	R	70.3	Confident	70.4	Confident	140 Å²	140	68.1 Å²	68.1	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-36	175.4	-167.2	173.4	73.5	-148.5	-3.4	111.8	H40 E41 F42 K47	H40-R44 WeakPolarHBondContact O-CB 3.46Å; H40-R44 PolarHBondContact O-N 2.89Å; E41-R44 WeakPolarHBondContact O-CB 3.43Å; E41-R44 PolarHBondContact O-N 3.02Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.03Å; E41-R44 IonicContact OE1-NE 3.96Å; E41-R44 IonicContact OE1-NH1 2.69Å; E41-R44 PolarHBondContact OE1-NH1 2.89Å; E41-R44 IonicContact OE1-NH2 3.99Å; E41-R44 PolarHBondContact OE1-NH2 2.72Å; E41-R44 IonicContact OE2-CZ 3.49Å; E41-R44 IonicContact OE2-NH1 3.71Å; E41-R44 IonicContact OE2-NH2 3.76Å; E41-R44 PolarHBondContact OE2-NH2 3.11Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 3Å; R44-K47 PolarHBondContact O-N 3.49Å; R44-K47 VanDerWaalsContact O-N 3.17Å
45	F	65.4	Low	70.2	Confident	45 Å²	45	65.7 Å²	65.7	20%	0.197	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-41.1	175	-78.1	-67.9	0	0	0	113.1	E31 L37 E41 F42 K43 K47	E31-F45 HydrophobicContact CB-CZ 4.12Å; E31-F45 HydrophobicContact CG-CZ 4.39Å; E31-F45 VanDerWaalsContact OE2-CE1 3.3Å; E31-F45 WeakPolarHBondContact OE2-CE1 3.32Å; E31-F45 WeakPolarHBondContact OE2-CZ 3.45Å; L37-F45 HydrophobicContact CD1-CD2 4.01Å; L37-F45 HydrophobicContact CD1-CE2 3.57Å; E41-F45 HydrophobicContact CB-CE2 4.43Å; E41-F45 WeakPolarHBondContact O-CD2 3.3Å; E41-F45 PolarHBondContact O-N 3.01Å; F42-F45 WeakPolarHBondContact O-CB 3.41Å; F42-F45 PolarHBondContact O-N 3.45Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.81Å; F45-K47 PolarHBondContact O-N 2.98Å
46	F	60.9	Low	70	Confident	55 Å²	55	69 Å²	69	24%	0.241	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.9	176.1	-74.6	-86.7	0	0	0	113.4	F42 K43 V48 V58 M61 W189	F42-F46 HydrophobicContact CD1-CD2 4.2Å; F42-F46 HydrophobicContact CD1-CE2 4.04Å; F42-F46 HydrophobicContact CD2-CE2 4.26Å; F42-F46 HydrophobicContact CE1-CD2 4.08Å; F42-F46 AromaticContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CE2 3.53Å; F42-F46 HydrophobicContact CE1-CZ 4.41Å; F42-F46 AromaticContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CE2-CE2 3.81Å; F42-F46 HydrophobicContact CG-CE2 4.38Å; F42-F46 HydrophobicContact CZ-CD2 4.36Å; F42-F46 AromaticContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CE2 3.42Å; F42-F46 VanDerWaalsContact CZ-CE2 3.42Å; F42-F46 HydrophobicContact CZ-CZ 4.1Å; F42-F46 WeakPolarHBondContact O-CD2 3.14Å; F42-F46 PolarHBondContact O-N 3.17Å; K43-F46 PolarHBondContact O-N 3.32Å; F46-V48 HydrophobicContact CB-CB 4.46Å; F46-V48 HydrophobicContact CB-CG2 3.8Å; F46-V48 PolarHBondContact O-N 2.95Å; F46-V58 HydrophobicContact CB-CG2 3.81Å; F46-V58 HydrophobicContact CD1-CG2 4.37Å; F46-V58 HydrophobicContact CD2-CG1 3.88Å; F46-V58 HydrophobicContact CD2-CG2 4.12Å; F46-V58 HydrophobicContact CG-CG1 4.39Å; F46-V58 HydrophobicContact CG-CG2 3.84Å; F46-M61 HydrophobicContact CZ-SD 4.14Å; F46-W189 HydrophobicContact CE1-CB 4.12Å; F46-W189 AromaticContact CE1-CD1 3.74Å; F46-W189 AromaticContact CE1-CG 3.99Å; F46-W189 HydrophobicContact CE1-CG 3.99Å; F46-W189 AromaticContact CE2-CD1 3.96Å; F46-W189 AromaticContact CE2-NE1 3.89Å; F46-W189 HydrophobicContact CZ-CB 4.36Å; F46-W189 AromaticContact CZ-CD1 3.63Å; F46-W189 HydrophobicContact CZ-CD2 4.25Å; F46-W189 AromaticContact CZ-CG 3.85Å; F46-W189 HydrophobicContact CZ-CG 3.85Å; F46-W189 AromaticContact CZ-NE1 3.97Å
47	K	63.6	Low	69.3	Low	156 Å²	156	68.2 Å²	68.2	68%	0.678	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	29.4	-173.1	-59.1	-176.4	174.8	-173.7	0	112.8	K43 R44 F45 T49	K43-K47 PolarHBondContact O-N 3.47Å; K43-K47 VanDerWaalsContact O-N 3.16Å; R44-K47 PolarHBondContact O-N 3.49Å; R44-K47 VanDerWaalsContact O-N 3.17Å; F45-K47 PolarHBondContact O-N 2.98Å; K47-T49 PolarHBondContact O-N 3.35Å
48	V	61.4	Low	68.9	Low	16 Å²	16	68.1 Å²	68.1	10%	0.097	32%	0.324	C	S	.	.			trans	-92.5	82.5	176.5	178.1	0	0	0	0	106.5	K43 F46 A54 S55 V58	K43-V48 PolarHBondContact O-N 3.34Å; K43-V48 VanDerWaalsContact O-N 3.16Å; F46-V48 HydrophobicContact CB-CB 4.46Å; F46-V48 HydrophobicContact CB-CG2 3.8Å; F46-V48 PolarHBondContact O-N 2.95Å; V48-A54 HydrophobicContact CB-CB 4.38Å; V48-A54 VanDerWaalsContact CG1-C 3.5Å; V48-A54 HydrophobicContact CG1-CB 3.55Å; V48-A54 HydrophobicContact CG2-CB 3.85Å; V48-S55 VanDerWaalsContact CG1-N 3.34Å; V48-V58 HydrophobicContact CB-CG2 4.41Å; V48-V58 HydrophobicContact CG2-CG2 3.92Å
49	T	57.8	Low	68.7	Low	103 Å²	103	67.3 Å²	67.3	63%	0.632	32%	0.322	S	S	*	.	S	Bend	trans	-102.4	-27.2	-179.5	52.3	0	0	0	0	113.2	K47	K47-T49 PolarHBondContact O-N 3.35Å
50	D	61.7	Low	68.3	Low	157 Å²	157	66.5 Å²	66.5	84%	0.84	32%	0.322	S	S	*	.	S	Bend	trans	-129.9	5.4	-169	-68.5	-74.6	0	0	0	114.5
51	D	65.5	Low	68.2	Low	61 Å²	61	61.1 Å²	61.1	33%	0.326	30%	0.298	S	S	.	.			trans	-115.8	109.6	-177.7	-167.4	-73	0	0	0	109.6	E53 A54 S55	D51-E53 VanDerWaalsContact C-N 3.28Å; D51-E53 PolarHBondContact O-N 2.75Å; D51-E53 PolarHBondContact OD1-N 3.01Å; D51-A54 HydrophobicContact CB-CB 4.03Å; D51-A54 WeakPolarHBondContact OD1-CB 3.24Å; D51-A54 PolarHBondContact OD1-N 2.8Å; D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 2.92Å
52	E	69.1	Low	68.4	Low	160 Å²	160	59.9 Å²	59.9	75%	0.748	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-35.9	-177.8	-76.8	-167.8	164.6	0	0	112.1	S55 Q56	E52-S55 WeakPolarHBondContact O-CB 3.22Å; E52-S55 PolarHBondContact O-N 3.45Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.94Å
53	E	62.2	Low	68.4	Low	89 Å²	89	66.1 Å²	66.1	42%	0.416	32%	0.315	S	S	.	.	H	α-helix	trans	-75.7	-43.7	-174.5	-66.9	155.8	174.3	0	0	110.5	D51 S55 Q56 Y57 Q123	D51-E53 VanDerWaalsContact C-N 3.28Å; D51-E53 PolarHBondContact O-N 2.75Å; D51-E53 PolarHBondContact OD1-N 3.01Å; E53-S55 PolarHBondContact O-N 2.83Å; E53-Q56 PolarHBondContact O-N 2.9Å; E53-Y57 PolarHBondContact O-N 3.1Å; E53-Y57 VanDerWaalsContact O-N 3.15Å; E53-Q123 HydrophobicContact CB-CB 4.15Å; E53-Q123 HydrophobicContact CB-CG 4.05Å; E53-Q123 HydrophobicContact CG-CG 4.46Å; E53-Q123 WeakPolarHBondContact OE2-CG 3.34Å; E53-Q123 PolarHBondContact OE2-NE2 3.13Å
54	A	63.8	Low	68.6	Low	3 Å²	3	64.4 Å²	64.4	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-31.1	168.8	0	0	0	0	0	111.5	V48 D51 Q56 Y57 V58	V48-A54 HydrophobicContact CB-CB 4.38Å; V48-A54 VanDerWaalsContact CG1-C 3.5Å; V48-A54 HydrophobicContact CG1-CB 3.55Å; V48-A54 HydrophobicContact CG2-CB 3.85Å; D51-A54 HydrophobicContact CB-CB 4.03Å; D51-A54 WeakPolarHBondContact OD1-CB 3.24Å; D51-A54 PolarHBondContact OD1-N 2.8Å; A54-Q56 VanDerWaalsContact C-N 3.34Å; A54-Y57 PolarHBondContact O-N 3.23Å; A54-V58 WeakPolarHBondContact O-CB 3.44Å; A54-V58 VanDerWaalsContact O-CG2 3.28Å; A54-V58 WeakPolarHBondContact O-CG2 3.21Å; A54-V58 PolarHBondContact O-N 2.93Å
55	S	72	Confident	68.9	Low	22 Å²	22	58.6 Å²	58.6	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-46.2	175.2	-132.9	0	0	0	0	110.6	K43 V48 D51 E52 E53 Y57 V58 E59	K43-S55 WeakPolarHBondContact CD-OG 3.41Å; K43-S55 WeakPolarHBondContact CE-OG 3.38Å; K43-S55 PolarHBondContact NZ-OG 2.99Å; V48-S55 VanDerWaalsContact CG1-N 3.34Å; D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 2.92Å; E52-S55 WeakPolarHBondContact O-CB 3.22Å; E52-S55 PolarHBondContact O-N 3.45Å; E53-S55 PolarHBondContact O-N 2.83Å; S55-Y57 VanDerWaalsContact C-N 3.35Å; S55-Y57 PolarHBondContact O-N 2.95Å; S55-V58 PolarHBondContact O-N 3.31Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 VanDerWaalsContact O-CG 3.22Å; S55-E59 WeakPolarHBondContact O-CG 3.2Å; S55-E59 PolarHBondContact O-N 3.32Å
56	Q	70.9	Confident	69.8	Low	101 Å²	101	57 Å²	57	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-39.8	178.5	-71.7	179.1	63.6	0	0	111.9	E52 E53 A54 E59 G60	E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.94Å; E53-Q56 PolarHBondContact O-N 2.9Å; A54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-E59 PolarHBondContact O-N 3.08Å; Q56-G60 PolarHBondContact O-N 3.11Å
57	Y	68.8	Low	70.4	Confident	18 Å²	18	61.3 Å²	61.3	7%	0.071	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-47.1	174.8	-178.4	-97.1	0	0	0	111.9	E53 A54 S55 E59 G60 M61 I121 L124 D183	E53-Y57 PolarHBondContact O-N 3.1Å; E53-Y57 VanDerWaalsContact O-N 3.15Å; A54-Y57 PolarHBondContact O-N 3.23Å; S55-Y57 VanDerWaalsContact C-N 3.35Å; S55-Y57 PolarHBondContact O-N 2.95Å; Y57-E59 VanDerWaalsContact C-N 3.3Å; Y57-E59 PolarHBondContact O-N 3.38Å; Y57-G60 PolarHBondContact O-N 3.35Å; Y57-M61 PolarHBondContact O-N 2.96Å; Y57-I121 HydrophobicContact CE2-CG1 4.35Å; Y57-L124 HydrophobicContact CD1-CD2 4.19Å; Y57-L124 HydrophobicContact CE1-CD2 3.92Å; Y57-D183 WeakPolarHBondContact CE2-OD1 3.43Å; Y57-D183 VanDerWaalsContact OH-CA 3.26Å; Y57-D183 WeakPolarHBondContact OH-CA 3.25Å; Y57-D183 PolarHBondContact OH-O 3.36Å; Y57-D183 PolarHBondContact OH-OD1 3.44Å
58	V	72.4	Confident	71.2	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-35.8	177.3	173.1	0	0	0	0	111.2	F42 K43 F46 V48 A54 S55 M61 F62	F42-V58 HydrophobicContact CD1-CG1 3.38Å; F42-V58 HydrophobicContact CE1-CG1 3.75Å; F42-V58 HydrophobicContact CG-CG1 4.46Å; K43-V58 HydrophobicContact CG-CG1 3.91Å; F46-V58 HydrophobicContact CB-CG2 3.81Å; F46-V58 HydrophobicContact CD1-CG2 4.37Å; F46-V58 HydrophobicContact CD2-CG1 3.88Å; F46-V58 HydrophobicContact CD2-CG2 4.12Å; F46-V58 HydrophobicContact CG-CG1 4.39Å; F46-V58 HydrophobicContact CG-CG2 3.84Å; V48-V58 HydrophobicContact CB-CG2 4.41Å; V48-V58 HydrophobicContact CG2-CG2 3.92Å; A54-V58 WeakPolarHBondContact O-CB 3.44Å; A54-V58 VanDerWaalsContact O-CG2 3.28Å; A54-V58 WeakPolarHBondContact O-CG2 3.21Å; A54-V58 PolarHBondContact O-N 2.93Å; S55-V58 PolarHBondContact O-N 3.31Å; V58-M61 PolarHBondContact O-N 3.17Å; V58-F62 WeakPolarHBondContact O-CB 3.17Å; V58-F62 PolarHBondContact O-N 2.86Å
59	E	77.4	Confident	72.1	Confident	62 Å²	62	59.5 Å²	59.5	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-42.2	172.9	-77.5	176.3	153.6	0	0	112.4	M39 K43 S55 Q56 Y57 M61 F62 R63	M39-E59 HydrophobicContact CE-CB 4.06Å; M39-E59 HydrophobicContact CE-CG 3.76Å; M39-E59 HydrophobicContact CG-CG 4.29Å; M39-E59 HydrophobicContact SD-CB 4.27Å; M39-E59 HydrophobicContact SD-CG 3.63Å; K43-E59 VanDerWaalsContact CE-CG 3.43Å; K43-E59 WeakPolarHBondContact CE-OE1 3.26Å; K43-E59 VanDerWaalsContact NZ-CD 3.26Å; K43-E59 IonicContact NZ-OE1 3.07Å; K43-E59 PolarHBondContact NZ-OE1 2.93Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 VanDerWaalsContact O-CG 3.22Å; S55-E59 WeakPolarHBondContact O-CG 3.2Å; S55-E59 PolarHBondContact O-N 3.32Å; Q56-E59 PolarHBondContact O-N 3.08Å; Y57-E59 VanDerWaalsContact C-N 3.3Å; Y57-E59 PolarHBondContact O-N 3.38Å; E59-M61 VanDerWaalsContact C-N 3.35Å; E59-F62 PolarHBondContact O-N 3.06Å; E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 3.35Å
60	G	72	Confident	73.3	Confident	17 Å²	17	58.3 Å²	58.3	18%	0.175	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-45.2	173.6	0	0	0	0	0	111.6	Q56 Y57 F62 R63 A64	Q56-G60 PolarHBondContact O-N 3.11Å; Y57-G60 PolarHBondContact O-N 3.35Å; G60-F62 VanDerWaalsContact C-N 3.34Å; G60-F62 PolarHBondContact O-N 3.01Å; G60-R63 PolarHBondContact O-N 3.05Å; G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.37Å
61	M	74.3	Confident	74.2	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-39.9	176	-178.6	155.5	-78.4	0	0	112.4	F42 F46 Y57 V58 E59 A64 F65 W96 P186	F42-M61 HydrophobicContact CE1-CB 4.27Å; F42-M61 HydrophobicContact CE1-CG 4.14Å; F42-M61 HydrophobicContact CZ-CG 3.98Å; F46-M61 HydrophobicContact CZ-SD 4.14Å; Y57-M61 PolarHBondContact O-N 2.96Å; V58-M61 PolarHBondContact O-N 3.17Å; E59-M61 VanDerWaalsContact C-N 3.35Å; M61-A64 PolarHBondContact O-N 3.37Å; M61-F65 HydrophobicContact CG-CD2 4Å; M61-F65 HydrophobicContact CG-CE2 3.49Å; M61-F65 VanDerWaalsContact CG-CE2 3.49Å; M61-F65 HydrophobicContact CG-CZ 4.34Å; M61-F65 WeakPolarHBondContact O-CD2 3.34Å; M61-F65 PolarHBondContact O-N 3.03Å; M61-F65 HydrophobicContact SD-CE2 4.14Å; M61-W96 HydrophobicContact CE-CH2 3.64Å; M61-W96 HydrophobicContact CE-CZ3 3.96Å; M61-W96 HydrophobicContact CG-CH2 4Å; M61-W96 HydrophobicContact SD-CH2 4.39Å; M61-P186 HydrophobicContact CE-CG 4.17Å; M61-P186 HydrophobicContact SD-CG 4.32Å
62	F	79.1	Confident	75.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-48	176	-175.5	-82.8	0	0	0	111.6	L37 M39 F42 V58 E59 G60 A64 F65 D66 N71 I73	L37-F62 WeakPolarHBondContact O-CE2 3.49Å; L37-F62 WeakPolarHBondContact O-CZ 3.32Å; M39-F62 HydrophobicContact CB-CE1 4.5Å; M39-F62 HydrophobicContact CB-CE2 4.4Å; M39-F62 HydrophobicContact CB-CZ 4.32Å; M39-F62 HydrophobicContact CE-CB 3.55Å; M39-F62 HydrophobicContact CE-CD1 3.2Å; M39-F62 HydrophobicContact CE-CD2 4.29Å; M39-F62 HydrophobicContact CE-CE1 3.92Å; M39-F62 HydrophobicContact CE-CG 3.41Å; M39-F62 VanDerWaalsContact CE-CG 3.41Å; M39-F62 HydrophobicContact SD-CB 3.56Å; M39-F62 VanDerWaalsContact SD-CB 3.56Å; M39-F62 HydrophobicContact SD-CD1 3.95Å; M39-F62 HydrophobicContact SD-CD2 3.93Å; M39-F62 HydrophobicContact SD-CG 3.53Å; M39-F62 VanDerWaalsContact SD-CG 3.53Å; F42-F62 HydrophobicContact CB-CD2 3.64Å; F42-F62 HydrophobicContact CB-CE2 4.03Å; F42-F62 HydrophobicContact CD1-CB 3.81Å; F42-F62 AromaticContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CD2 3.74Å; F42-F62 HydrophobicContact CD1-CG 4.28Å; F42-F62 HydrophobicContact CD2-CD2 4.23Å; F42-F62 HydrophobicContact CE1-CB 3.95Å; F42-F62 HydrophobicContact CE1-CD2 4.41Å; F42-F62 AromaticContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CD2 3.63Å; F42-F62 HydrophobicContact CG-CE2 4.39Å; V58-F62 WeakPolarHBondContact O-CB 3.17Å; V58-F62 PolarHBondContact O-N 2.86Å; E59-F62 PolarHBondContact O-N 3.06Å; G60-F62 VanDerWaalsContact C-N 3.34Å; G60-F62 PolarHBondContact O-N 3.01Å; F62-A64 PolarHBondContact O-N 2.84Å; F62-F65 PolarHBondContact O-N 3.44Å; F62-D66 HydrophobicContact CD1-CB 4.35Å; F62-D66 HydrophobicContact CE1-CB 4.24Å; F62-D66 WeakPolarHBondContact O-CB 3.21Å; F62-D66 PolarHBondContact O-N 3.37Å; F62-N71 WeakPolarHBondContact CE1-O 3.34Å; F62-N71 WeakPolarHBondContact CZ-O 3.48Å; F62-I73 HydrophobicContact CD2-CD1 3.38Å; F62-I73 HydrophobicContact CD2-CG1 3.97Å; F62-I73 HydrophobicContact CE1-CG1 4.31Å; F62-I73 HydrophobicContact CE2-CB 4.39Å; F62-I73 HydrophobicContact CE2-CD1 3.53Å; F62-I73 HydrophobicContact CE2-CG1 3.66Å; F62-I73 HydrophobicContact CG-CD1 3.97Å; F62-I73 HydrophobicContact CG-CG1 4.45Å; F62-I73 HydrophobicContact CZ-CD1 4.21Å; F62-I73 HydrophobicContact CZ-CG1 3.86Å
63	R	77.6	Confident	75.8	Confident	137 Å²	137	45.9 Å²	45.9	52%	0.517	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-32	176.7	-74.4	-179.4	-179.3	-169.4	1.6	113	E59 G60 F65 D66	E59-R63 WeakPolarHBondContact O-CG 3.49Å; E59-R63 PolarHBondContact O-N 3.35Å; G60-R63 PolarHBondContact O-N 3.05Å; R63-F65 VanDerWaalsContact C-N 3.28Å; R63-F65 PolarHBondContact O-N 3.26Å; R63-D66 VanDerWaalsContact O-O 3.06Å
64	A	74.1	Confident	76.8	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-72.4	-23.6	176.4	0	0	0	0	0	113.1	G60 M61 F62 W96 I100	G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.37Å; M61-A64 PolarHBondContact O-N 3.37Å; F62-A64 PolarHBondContact O-N 2.84Å; A64-W96 HydrophobicContact CB-CH2 4.5Å; A64-W96 HydrophobicContact CB-CZ2 3.57Å; A64-W96 PolarHBondContact O-NE1 3.17Å; A64-I100 HydrophobicContact CB-CB 4.19Å; A64-I100 HydrophobicContact CB-CD1 4.4Å; A64-I100 HydrophobicContact CB-CG1 3.27Å
65	F	78	Confident	77.6	Confident	18 Å²	18	45 Å²	45	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-88	-36.4	173.2	-68.2	-47.5	0	0	0	113.1	F42 M61 F62 R63 K67 I73 A81 W96	F42-F65 HydrophobicContact CZ-CD2 4.11Å; F42-F65 HydrophobicContact CZ-CE2 4.2Å; M61-F65 HydrophobicContact CG-CD2 4Å; M61-F65 HydrophobicContact CG-CE2 3.49Å; M61-F65 VanDerWaalsContact CG-CE2 3.49Å; M61-F65 HydrophobicContact CG-CZ 4.34Å; M61-F65 WeakPolarHBondContact O-CD2 3.34Å; M61-F65 PolarHBondContact O-N 3.03Å; M61-F65 HydrophobicContact SD-CE2 4.14Å; F62-F65 PolarHBondContact O-N 3.44Å; R63-F65 VanDerWaalsContact C-N 3.28Å; R63-F65 PolarHBondContact O-N 3.26Å; F65-K67 PolarHBondContact O-N 3.12Å; F65-I73 HydrophobicContact CB-CD1 3.67Å; F65-I73 HydrophobicContact CB-CG1 4.11Å; F65-I73 HydrophobicContact CD2-CD1 4.34Å; F65-I73 HydrophobicContact CG-CD1 4.46Å; F65-A81 HydrophobicContact CD1-CB 3.15Å; F65-A81 HydrophobicContact CD2-CB 4.28Å; F65-A81 VanDerWaalsContact CE1-CA 3.46Å; F65-A81 HydrophobicContact CE1-CB 3.09Å; F65-A81 HydrophobicContact CE2-CB 4.23Å; F65-A81 HydrophobicContact CG-CB 3.78Å; F65-A81 HydrophobicContact CZ-CB 3.66Å; F65-W96 AromaticContact CD1-CE2 3.8Å; F65-W96 HydrophobicContact CD1-CH2 4.35Å; F65-W96 AromaticContact CD1-CZ2 3.42Å; F65-W96 HydrophobicContact CD1-CZ2 3.42Å; F65-W96 VanDerWaalsContact CD1-CZ2 3.42Å; F65-W96 AromaticContact CD1-NE1 3.82Å; F65-W96 HydrophobicContact CD2-CZ2 4.05Å; F65-W96 HydrophobicContact CE1-CD2 4.46Å; F65-W96 AromaticContact CE1-CE2 3.49Å; F65-W96 VanDerWaalsContact CE1-CE2 3.49Å; F65-W96 AromaticContact CE1-CH2 3.57Å; F65-W96 HydrophobicContact CE1-CH2 3.57Å; F65-W96 AromaticContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ3 4.49Å; F65-W96 AromaticContact CE1-NE1 3.91Å; F65-W96 AromaticContact CE2-CH2 3.83Å; F65-W96 HydrophobicContact CE2-CH2 3.83Å; F65-W96 AromaticContact CE2-CZ2 3.72Å; F65-W96 HydrophobicContact CE2-CZ2 3.72Å; F65-W96 AromaticContact CG-CZ2 3.93Å; F65-W96 HydrophobicContact CG-CZ2 3.93Å; F65-W96 AromaticContact CZ-CH2 3.28Å; F65-W96 HydrophobicContact CZ-CH2 3.28Å; F65-W96 AromaticContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ3 4.29Å
66	D	82.8	Confident	78.1	Confident	11 Å²	11	50 Å²	50	6%	0.059	26%	0.259	C	S	.	.			trans	-68.1	91.4	172.7	179.6	4	0	0	0	109.9	F62 R63 N68 G69 D70 N71	F62-D66 HydrophobicContact CD1-CB 4.35Å; F62-D66 HydrophobicContact CE1-CB 4.24Å; F62-D66 WeakPolarHBondContact O-CB 3.21Å; F62-D66 PolarHBondContact O-N 3.37Å; R63-D66 VanDerWaalsContact O-O 3.06Å; D66-N68 PolarHBondContact OD1-N 3.44Å; D66-N68 PolarHBondContact OD1-OD1 3.33Å; D66-G69 VanDerWaalsContact OD1-CA 3.27Å; D66-G69 WeakPolarHBondContact OD1-CA 3.31Å; D66-G69 PolarHBondContact OD1-N 3.11Å; D66-G69 WeakPolarHBondContact OD2-CA 3.49Å; D66-D70 PolarHBondContact OD1-N 3.07Å; D66-D70 PolarHBondContact OD2-N 3.36Å; D66-N71 WeakPolarHBondContact OD2-CA 3.38Å; D66-N71 PolarHBondContact OD2-N 3.49Å
67	K	74.9	Confident	78.7	Confident	145 Å²	145	45.8 Å²	45.8	63%	0.63	24%	0.239	S	C	*	.	S	Bend	trans	-79	-29.5	-179.1	-72.1	-172.8	179.9	-179.8	0	111.5	F65 E77	F65-K67 PolarHBondContact O-N 3.12Å; K67-E77 PolarHBondContact N-OE1 2.97Å
68	N	79.9	Confident	79.1	Confident	83 Å²	83	46.6 Å²	46.6	44%	0.444	24%	0.242	S	C	.	.	S	Bend	trans	-88.5	-13.4	-175.3	73.8	16	0	0	0	112.5	D66 D70 E77	D66-N68 PolarHBondContact OD1-N 3.44Å; D66-N68 PolarHBondContact OD1-OD1 3.33Å; N68-D70 VanDerWaalsContact C-N 3.31Å; N68-D70 VanDerWaalsContact CG-CG 3.49Å; N68-D70 VanDerWaalsContact ND2-CG 3.31Å; N68-D70 PolarHBondContact ND2-OD2 2.9Å; N68-D70 WeakPolarHBondContact OD1-CB 3.5Å; N68-D70 PolarHBondContact OD1-N 2.92Å; N68-D70 PolarHBondContact OD1-OD1 2.91Å; N68-D70 PolarHBondContact OD1-OD2 3.32Å; N68-E77 PolarHBondContact N-OE1 3.45Å
69	G	79.2	Confident	79.4	Confident	52 Å²	52	47.2 Å²	47.2	54%	0.536	25%	0.246	S	C	.	.			trans	73.6	19.1	178.6	0	0	0	0	0	113.7	D66 N71	D66-G69 VanDerWaalsContact OD1-CA 3.27Å; D66-G69 WeakPolarHBondContact OD1-CA 3.31Å; D66-G69 PolarHBondContact OD1-N 3.11Å; D66-G69 WeakPolarHBondContact OD2-CA 3.49Å; G69-N71 PolarHBondContact O-N 3.4Å
70	D	84.2	Confident	79.5	Confident	78 Å²	78	46 Å²	46	42%	0.417	25%	0.246	S	C	.	.	S	Bend	trans	-82.6	1.6	-176.6	76.9	12.2	0	0	0	113.3	D66 N68 T72	D66-D70 PolarHBondContact OD1-N 3.07Å; D66-D70 PolarHBondContact OD2-N 3.36Å; N68-D70 VanDerWaalsContact C-N 3.31Å; N68-D70 VanDerWaalsContact CG-CG 3.49Å; N68-D70 VanDerWaalsContact ND2-CG 3.31Å; N68-D70 PolarHBondContact ND2-OD2 2.9Å; N68-D70 WeakPolarHBondContact OD1-CB 3.5Å; N68-D70 PolarHBondContact OD1-N 2.92Å; N68-D70 PolarHBondContact OD1-OD1 2.91Å; N68-D70 PolarHBondContact OD1-OD2 3.32Å; D70-T72 PolarHBondContact O-N 2.89Å; D70-T72 VanDerWaalsContact OD1-CA 3.23Å; D70-T72 WeakPolarHBondContact OD1-CA 3.25Å; D70-T72 VanDerWaalsContact OD1-CB 3.28Å; D70-T72 WeakPolarHBondContact OD1-CB 3.49Å; D70-T72 PolarHBondContact OD1-N 3.12Å; D70-T72 PolarHBondContact OD1-OG1 3.26Å; D70-T72 PolarHBondContact OD2-OG1 3.25Å
71	N	79.8	Confident	79.6	Confident	99 Å²	99	45.6 Å²	45.6	53%	0.529	24%	0.242	S	C	.	.	S	Bend	trans	62.8	21.2	-175.3	-56.2	-85.5	0	0	0	113.6	F62 D66 G69	F62-N71 WeakPolarHBondContact CE1-O 3.34Å; F62-N71 WeakPolarHBondContact CZ-O 3.48Å; D66-N71 WeakPolarHBondContact OD2-CA 3.38Å; D66-N71 PolarHBondContact OD2-N 3.49Å; G69-N71 PolarHBondContact O-N 3.4Å
72	T	84.9	Confident	79.6	Confident	16 Å²	16	45.6 Å²	45.6	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.9	170.2	75.3	0	0	0	0	109.2	F38 D70	F38-T72 HydrophobicContact CD1-CG2 3.71Å; F38-T72 HydrophobicContact CE1-CG2 3.57Å; F38-T72 HydrophobicContact CG-CG2 4.5Å; F38-T72 HydrophobicContact CZ-CG2 4.27Å; D70-T72 PolarHBondContact O-N 2.89Å; D70-T72 VanDerWaalsContact OD1-CA 3.23Å; D70-T72 WeakPolarHBondContact OD1-CA 3.25Å; D70-T72 VanDerWaalsContact OD1-CB 3.28Å; D70-T72 WeakPolarHBondContact OD1-CB 3.49Å; D70-T72 PolarHBondContact OD1-N 3.12Å; D70-T72 PolarHBondContact OD1-OG1 3.26Å; D70-T72 PolarHBondContact OD2-OG1 3.25Å
73	I	82.4	Confident	79.5	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.8	169.5	-68.3	169.3	0	0	0	106.5	L37 F42 F62 F65 E77	L37-I73 HydrophobicContact CB-CB 4.15Å; L37-I73 HydrophobicContact CD2-CB 4.49Å; L37-I73 HydrophobicContact CD2-CD1 4.46Å; L37-I73 PolarHBondContact N-O 3.45Å; L37-I73 PolarHBondContact O-N 3.47Å; F42-I73 HydrophobicContact CD2-CD1 4.38Å; F42-I73 HydrophobicContact CE2-CD1 4.32Å; F62-I73 HydrophobicContact CD2-CD1 3.38Å; F62-I73 HydrophobicContact CD2-CG1 3.97Å; F62-I73 HydrophobicContact CE1-CG1 4.31Å; F62-I73 HydrophobicContact CE2-CB 4.39Å; F62-I73 HydrophobicContact CE2-CD1 3.53Å; F62-I73 HydrophobicContact CE2-CG1 3.66Å; F62-I73 HydrophobicContact CG-CD1 3.97Å; F62-I73 HydrophobicContact CG-CG1 4.45Å; F62-I73 HydrophobicContact CZ-CD1 4.21Å; F62-I73 HydrophobicContact CZ-CG1 3.86Å; F65-I73 HydrophobicContact CB-CD1 3.67Å; F65-I73 HydrophobicContact CB-CG1 4.11Å; F65-I73 HydrophobicContact CD2-CD1 4.34Å; F65-I73 HydrophobicContact CG-CD1 4.46Å; I73-E77 WeakPolarHBondContact CA-OE2 3.24Å; I73-E77 HydrophobicContact CG2-CB 3.82Å
74	D	84	Confident	79.3	Confident	45 Å²	45	43.3 Å²	43.3	24%	0.241	24%	0.24	C	C	.	.			trans	-76.5	172.5	173.6	77.9	33.3	0	0	0	111.5	L76 E77 Y78	D74-L76 VanDerWaalsContact C-N 3.29Å; D74-L76 PolarHBondContact O-N 3.18Å; D74-L76 VanDerWaalsContact OD1-CA 3.31Å; D74-L76 WeakPolarHBondContact OD1-CA 3.3Å; D74-L76 VanDerWaalsContact OD1-CB 3.3Å; D74-L76 WeakPolarHBondContact OD1-CB 3.41Å; D74-L76 PolarHBondContact OD1-N 3.33Å; D74-E77 PolarHBondContact N-OE2 3.14Å; D74-E77 PolarHBondContact O-N 3.49Å; D74-E77 PolarHBondContact OD1-N 3.3Å; D74-Y78 WeakPolarHBondContact O-CB 3.29Å; D74-Y78 PolarHBondContact O-N 2.86Å
75	F	81	Confident	79.2	Confident	28 Å²	28	43.5 Å²	43.5	12%	0.123	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-36.1	-179.3	178.2	-111.1	0	0	0	113.2	L21 W24 Y25 F28 Y78 V79	L21-F75 HydrophobicContact CD2-CE1 4.12Å; L21-F75 HydrophobicContact CG-CE1 4.13Å; L21-F75 HydrophobicContact CG-CZ 4.11Å; W24-F75 HydrophobicContact CB-CE2 4.24Å; W24-F75 HydrophobicContact CB-CZ 4.44Å; Y25-F75 VanDerWaalsContact CB-CZ 3.45Å; Y25-F75 HydrophobicContact CD2-CB 4.32Å; Y25-F75 AromaticContact CD2-CD1 3.56Å; Y25-F75 HydrophobicContact CD2-CD1 3.56Å; Y25-F75 AromaticContact CD2-CD2 3.68Å; Y25-F75 HydrophobicContact CD2-CD2 3.68Å; Y25-F75 AromaticContact CD2-CE1 3.67Å; Y25-F75 HydrophobicContact CD2-CE1 3.67Å; Y25-F75 AromaticContact CD2-CE2 3.82Å; Y25-F75 HydrophobicContact CD2-CE2 3.82Å; Y25-F75 AromaticContact CD2-CG 3.55Å; Y25-F75 HydrophobicContact CD2-CG 3.55Å; Y25-F75 AromaticContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CD2-CZ 3.81Å; Y25-F75 HydrophobicContact CE2-CB 4.4Å; Y25-F75 HydrophobicContact CE2-CD1 4.18Å; Y25-F75 HydrophobicContact CE2-CG 4.09Å; Y25-F75 HydrophobicContact CG-CE1 4.28Å; Y25-F75 HydrophobicContact CG-CE2 4.27Å; Y25-F75 HydrophobicContact CG-CZ 4.13Å; Y25-F75 VanDerWaalsContact N-CE2 3.33Å; F28-F75 HydrophobicContact CB-CD2 4.01Å; F28-F75 HydrophobicContact CB-CE2 4.31Å; F28-F75 HydrophobicContact CD1-CB 4.22Å; F28-F75 AromaticContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CD1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CB 4.17Å; F28-F75 AromaticContact CG-CD2 3.98Å; F28-F75 HydrophobicContact CG-CD2 3.98Å; F75-Y78 HydrophobicContact CD2-CD1 4.49Å; F75-Y78 PolarHBondContact O-N 3.01Å; F75-V79 HydrophobicContact CD1-CG2 4.1Å; F75-V79 HydrophobicContact CD2-CG2 4.1Å; F75-V79 HydrophobicContact CE1-CG2 3.58Å; F75-V79 HydrophobicContact CE2-CG2 3.53Å; F75-V79 HydrophobicContact CG-CG2 4.36Å; F75-V79 HydrophobicContact CZ-CG2 3.25Å; F75-V79 WeakPolarHBondContact O-CB 3.47Å; F75-V79 WeakPolarHBondContact O-CG2 3.38Å; F75-V79 PolarHBondContact O-N 3.24Å
76	L	82.6	Confident	78.8	Confident	128 Å²	128	46 Å²	46	67%	0.67	25%	0.254	S	S	*	.	H	α-helix	trans	-69.9	-39.2	-179.7	-62.3	176.2	0	0	0	111	D74 V79 A80	D74-L76 VanDerWaalsContact C-N 3.29Å; D74-L76 PolarHBondContact O-N 3.18Å; D74-L76 VanDerWaalsContact OD1-CA 3.31Å; D74-L76 WeakPolarHBondContact OD1-CA 3.3Å; D74-L76 VanDerWaalsContact OD1-CB 3.3Å; D74-L76 WeakPolarHBondContact OD1-CB 3.41Å; D74-L76 PolarHBondContact OD1-N 3.33Å; L76-V79 PolarHBondContact O-N 3.06Å; L76-A80 VanDerWaalsContact O-CB 3.3Å; L76-A80 WeakPolarHBondContact O-CB 3.37Å; L76-A80 PolarHBondContact O-N 2.93Å
77	E	83	Confident	78.2	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.056	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-42.6	173.8	-70	173.8	146.2	0	0	111.4	K67 N68 I73 D74 A80 A81	K67-E77 PolarHBondContact N-OE1 2.97Å; N68-E77 PolarHBondContact N-OE1 3.45Å; I73-E77 WeakPolarHBondContact CA-OE2 3.24Å; I73-E77 HydrophobicContact CG2-CB 3.82Å; D74-E77 PolarHBondContact N-OE2 3.14Å; D74-E77 PolarHBondContact O-N 3.49Å; D74-E77 PolarHBondContact OD1-N 3.3Å; E77-A80 PolarHBondContact O-N 3.32Å; E77-A81 VanDerWaalsContact O-CB 3.31Å; E77-A81 WeakPolarHBondContact O-CB 3.48Å; E77-A81 PolarHBondContact O-N 2.84Å
78	Y	78.1	Confident	77.9	Confident	34 Å²	34	41.9 Å²	41.9	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-46.6	173.2	-179.5	-100.8	0	0	0	112.2	F28 D74 F75 A80 A81 L82 W189	F28-Y78 AromaticContact CD2-CD1 3.79Å; F28-Y78 HydrophobicContact CD2-CD1 3.79Å; F28-Y78 AromaticContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CD2 3.98Å; F28-Y78 HydrophobicContact CD2-CE1 4.14Å; F28-Y78 HydrophobicContact CD2-CE2 4.3Å; F28-Y78 AromaticContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CD2-CG 3.71Å; F28-Y78 HydrophobicContact CE2-CD1 4.4Å; F28-Y78 HydrophobicContact CE2-CD2 4.03Å; F28-Y78 AromaticContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CE2-CG 3.88Å; F28-Y78 HydrophobicContact CG-CD1 4.41Å; D74-Y78 WeakPolarHBondContact O-CB 3.29Å; D74-Y78 PolarHBondContact O-N 2.86Å; F75-Y78 HydrophobicContact CD2-CD1 4.49Å; F75-Y78 PolarHBondContact O-N 3.01Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 2.75Å; Y78-A81 VanDerWaalsContact O-CB 3.3Å; Y78-A81 WeakPolarHBondContact O-CB 3.28Å; Y78-A81 PolarHBondContact O-N 2.77Å; Y78-L82 HydrophobicContact CD1-CD1 3.84Å; Y78-L82 HydrophobicContact CD1-CG 4.25Å; Y78-L82 HydrophobicContact CE1-CD1 3.25Å; Y78-L82 HydrophobicContact CE1-CG 3.91Å; Y78-L82 VanDerWaalsContact O-CG 3.3Å; Y78-L82 WeakPolarHBondContact O-CG 3.27Å; Y78-L82 PolarHBondContact O-N 2.82Å; Y78-W189 AromaticContact CE2-CH2 3.83Å; Y78-W189 HydrophobicContact CE2-CH2 3.83Å
79	V	78.9	Confident	77.8	Confident	15 Å²	15	41.2 Å²	41.2	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-42.6	176	170.3	0	0	0	0	110.8	I16 L21 W24 F75 L76 A81 L82 N83	I16-V79 HydrophobicContact CD1-CG1 4.11Å; L21-V79 HydrophobicContact CD1-CB 4.39Å; L21-V79 HydrophobicContact CD1-CG1 3.54Å; L21-V79 HydrophobicContact CD1-CG2 3.96Å; L21-V79 HydrophobicContact CG-CG2 4.48Å; W24-V79 HydrophobicContact CE3-CG1 4.22Å; W24-V79 HydrophobicContact CE3-CG2 4.19Å; W24-V79 HydrophobicContact CZ3-CG1 4.12Å; F75-V79 HydrophobicContact CD1-CG2 4.1Å; F75-V79 HydrophobicContact CD2-CG2 4.1Å; F75-V79 HydrophobicContact CE1-CG2 3.58Å; F75-V79 HydrophobicContact CE2-CG2 3.53Å; F75-V79 HydrophobicContact CG-CG2 4.36Å; F75-V79 HydrophobicContact CZ-CG2 3.25Å; F75-V79 WeakPolarHBondContact O-CB 3.47Å; F75-V79 WeakPolarHBondContact O-CG2 3.38Å; F75-V79 PolarHBondContact O-N 3.24Å; L76-V79 PolarHBondContact O-N 3.06Å; V79-A81 VanDerWaalsContact C-N 3.31Å; V79-A81 PolarHBondContact O-N 3.35Å; V79-L82 PolarHBondContact O-N 3.04Å; V79-N83 WeakPolarHBondContact O-CB 3.49Å; V79-N83 PolarHBondContact O-N 3.03Å
80	A	77.6	Confident	77.7	Confident	36 Å²	36	42 Å²	42	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-41.3	177.9	0	0	0	0	0	111.4	L76 E77 Y78 N83 L84	L76-A80 VanDerWaalsContact O-CB 3.3Å; L76-A80 WeakPolarHBondContact O-CB 3.37Å; L76-A80 PolarHBondContact O-N 2.93Å; E77-A80 PolarHBondContact O-N 3.32Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 2.75Å; A80-N83 PolarHBondContact O-N 2.98Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.5Å; A80-L84 PolarHBondContact O-N 3.01Å
81	A	75.5	Confident	77.4	Confident	10 Å²	10	41.7 Å²	41.7	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-52.6	172.5	0	0	0	0	0	111.5	F65 E77 Y78 V79 N83 L84 V85	F65-A81 HydrophobicContact CD1-CB 3.15Å; F65-A81 HydrophobicContact CD2-CB 4.28Å; F65-A81 VanDerWaalsContact CE1-CA 3.46Å; F65-A81 HydrophobicContact CE1-CB 3.09Å; F65-A81 HydrophobicContact CE2-CB 4.23Å; F65-A81 HydrophobicContact CG-CB 3.78Å; F65-A81 HydrophobicContact CZ-CB 3.66Å; E77-A81 VanDerWaalsContact O-CB 3.31Å; E77-A81 WeakPolarHBondContact O-CB 3.48Å; E77-A81 PolarHBondContact O-N 2.84Å; Y78-A81 VanDerWaalsContact O-CB 3.3Å; Y78-A81 WeakPolarHBondContact O-CB 3.28Å; Y78-A81 PolarHBondContact O-N 2.77Å; V79-A81 VanDerWaalsContact C-N 3.31Å; V79-A81 PolarHBondContact O-N 3.35Å; A81-N83 VanDerWaalsContact C-N 3.35Å; A81-N83 PolarHBondContact O-N 2.96Å; A81-L84 PolarHBondContact O-N 2.99Å; A81-V85 VanDerWaalsContact O-CG2 3.24Å; A81-V85 WeakPolarHBondContact O-CG2 3.23Å; A81-V85 PolarHBondContact O-N 3.14Å
82	L	73.5	Confident	77.4	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-46.5	178.1	-71.5	-173	0	0	0	111.8	W24 Y78 V79 L84 V85 L86 W189 L190	W24-L82 HydrophobicContact CB-CD1 4.44Å; W24-L82 HydrophobicContact CD2-CD1 3.48Å; W24-L82 VanDerWaalsContact CD2-CD1 3.48Å; W24-L82 HydrophobicContact CE3-CB 4.2Å; W24-L82 HydrophobicContact CE3-CD1 3.55Å; W24-L82 HydrophobicContact CG-CD1 3.9Å; W24-L82 HydrophobicContact CH2-CB 3.96Å; W24-L82 HydrophobicContact CH2-CD1 4.34Å; W24-L82 HydrophobicContact CZ2-CB 4.5Å; W24-L82 HydrophobicContact CZ2-CD1 4.29Å; W24-L82 HydrophobicContact CZ3-CB 3.77Å; W24-L82 HydrophobicContact CZ3-CD1 3.98Å; Y78-L82 HydrophobicContact CD1-CD1 3.84Å; Y78-L82 HydrophobicContact CD1-CG 4.25Å; Y78-L82 HydrophobicContact CE1-CD1 3.25Å; Y78-L82 HydrophobicContact CE1-CG 3.91Å; Y78-L82 VanDerWaalsContact O-CG 3.3Å; Y78-L82 WeakPolarHBondContact O-CG 3.27Å; Y78-L82 PolarHBondContact O-N 2.82Å; V79-L82 PolarHBondContact O-N 3.04Å; L82-L84 PolarHBondContact O-N 3.39Å; L82-V85 PolarHBondContact O-N 2.85Å; L82-L86 HydrophobicContact CB-CD1 4.39Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.42Å; L82-W189 HydrophobicContact CD2-CZ3 4.13Å; L82-L190 HydrophobicContact CD2-CD1 4.34Å; L82-L190 HydrophobicContact CD2-CD2 3.22Å; L82-L190 HydrophobicContact CD2-CG 4.3Å
83	N	76.9	Confident	77	Confident	64 Å²	64	42.8 Å²	42.8	34%	0.342	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-45.6	-179.8	-164.1	31.6	0	0	0	111.3	I16 V79 A80 A81 V85 R87 G88	I16-N83 HydrophobicContact CD1-CB 3.56Å; I16-N83 WeakPolarHBondContact CD1-OD1 3.33Å; V79-N83 WeakPolarHBondContact O-CB 3.49Å; V79-N83 PolarHBondContact O-N 3.03Å; A80-N83 PolarHBondContact O-N 2.98Å; A81-N83 VanDerWaalsContact C-N 3.35Å; A81-N83 PolarHBondContact O-N 2.96Å; N83-V85 VanDerWaalsContact C-N 3.34Å; N83-V85 PolarHBondContact O-N 3.33Å; N83-R87 CarbonylContact O-C 3.42Å; N83-R87 WeakPolarHBondContact O-CA 3.46Å; N83-R87 PolarHBondContact O-N 3.32Å; N83-G88 PolarHBondContact O-N 3.15Å
84	L	74.8	Confident	76.9	Confident	26 Å²	26	43.1 Å²	43.1	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-43.5	177.8	177.2	71.1	0	0	0	111.8	A80 A81 L82 G88 H92 K93 W96 M184	A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.5Å; A80-L84 PolarHBondContact O-N 3.01Å; A81-L84 PolarHBondContact O-N 2.99Å; L82-L84 PolarHBondContact O-N 3.39Å; L84-G88 WeakPolarHBondContact O-CA 3.29Å; L84-G88 PolarHBondContact O-N 3.5Å; L84-H92 HydrophobicContact CD1-CB 3.6Å; L84-K93 HydrophobicContact CD1-CG 4.42Å; L84-K93 WeakPolarHBondContact O-CE 3.46Å; L84-W96 HydrophobicContact CD1-CB 4.43Å; L84-W96 HydrophobicContact CD2-CB 3.36Å; L84-W96 HydrophobicContact CD2-CD2 3.41Å; L84-W96 VanDerWaalsContact CD2-CD2 3.41Å; L84-W96 HydrophobicContact CD2-CE3 3.94Å; L84-W96 HydrophobicContact CD2-CG 3.11Å; L84-W96 HydrophobicContact CG-CB 4.46Å; L84-M184 HydrophobicContact CD2-CE 4.42Å
85	V	70.9	Confident	76.8	Confident	8 Å²	8	45 Å²	45	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-73.3	-44.2	-177.3	178.9	0	0	0	0	111.2	A81 L82 N83 K93 M184 P186 L190	A81-V85 VanDerWaalsContact O-CG2 3.24Å; A81-V85 WeakPolarHBondContact O-CG2 3.23Å; A81-V85 PolarHBondContact O-N 3.14Å; L82-V85 PolarHBondContact O-N 2.85Å; N83-V85 VanDerWaalsContact C-N 3.34Å; N83-V85 PolarHBondContact O-N 3.33Å; V85-K93 WeakPolarHBondContact O-CE 3.41Å; V85-K93 PolarHBondContact O-NZ 3.25Å; V85-K93 VanDerWaalsContact O-NZ 3.15Å; V85-M184 HydrophobicContact CG2-CE 4.46Å; V85-P186 HydrophobicContact CB-CG 4.49Å; V85-P186 HydrophobicContact CG1-CB 3.95Å; V85-P186 HydrophobicContact CG1-CG 3.92Å; V85-P186 HydrophobicContact CG2-CB 4.19Å; V85-P186 HydrophobicContact CG2-CG 3.7Å; V85-L190 HydrophobicContact CB-CD1 3.85Å; V85-L190 HydrophobicContact CG1-CD1 3.38Å
86	L	69.5	Low	76.7	Confident	69 Å²	69	44.9 Å²	44.9	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-78.1	-42.5	-175.4	-66	172.2	0	0	0	113	W24 L82 L190	W24-L86 HydrophobicContact CH2-CD1 3.97Å; W24-L86 HydrophobicContact CZ2-CD1 3.71Å; L82-L86 HydrophobicContact CB-CD1 4.39Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.42Å; L86-L190 HydrophobicContact CD2-CD1 3.89Å; L86-L190 HydrophobicContact CG-CD1 4.09Å
87	R	70.2	Confident	76.5	Confident	60 Å²	60	38.9 Å²	38.9	23%	0.226	20%	0.199	C	C	.	.	H	α-helix	trans	-128.2	-0	-169.3	-54.9	-175.3	-175.6	-177.4	6.8	113.7	A13 G14 E15 E20 N83 T89	A13-R87 HydrophobicContact CB-CB 4.19Å; A13-R87 HydrophobicContact CB-CG 3.71Å; G14-R87 PolarHBondContact O-NH1 3.46Å; E15-R87 PolarHBondContact O-NH1 2.82Å; E20-R87 IonicContact OE1-CZ 2.72Å; E20-R87 IonicContact OE1-NH2 2.71Å; E20-R87 PolarHBondContact OE1-NH2 3.31Å; E20-R87 IonicContact OE2-CZ 3.69Å; E20-R87 IonicContact OE2-NH2 3.01Å; E20-R87 PolarHBondContact OE2-NH2 2.97Å; N83-R87 CarbonylContact O-C 3.42Å; N83-R87 WeakPolarHBondContact O-CA 3.46Å; N83-R87 PolarHBondContact O-N 3.32Å; R87-T89 PolarHBondContact O-N 3.45Å
88	G	69.1	Low	76.5	Confident	11 Å²	11	38.8 Å²	38.8	11%	0.113	20%	0.198	C	C	.	.			trans	-64.5	134.9	179.3	0	0	0	0	0	111.6	N83 L84 K93	N83-G88 PolarHBondContact O-N 3.15Å; L84-G88 WeakPolarHBondContact O-CA 3.29Å; L84-G88 PolarHBondContact O-N 3.5Å; G88-K93 WeakPolarHBondContact O-CE 3.35Å
89	T	78.1	Confident	76.5	Confident	69 Å²	69	42 Å²	42	42%	0.423	21%	0.213	S	C	.	.			trans	-59.4	156.7	168.2	61.9	0	0	0	0	109.9	R87 E91 H92 K93	R87-T89 PolarHBondContact O-N 3.45Å; T89-E91 PolarHBondContact O-N 3.42Å; T89-H92 PolarHBondContact O-N 3.16Å; T89-H92 VanDerWaalsContact O-N 3.12Å; T89-H92 PolarHBondContact OG1-N 3.4Å; T89-H92 PolarHBondContact OG1-ND1 2.82Å; T89-K93 WeakPolarHBondContact O-CG 3.37Å; T89-K93 PolarHBondContact O-N 2.83Å
90	L	75.9	Confident	76.4	Confident	68 Å²	68	41.8 Å²	41.8	36%	0.356	21%	0.211	S	C	.	.	H	α-helix	trans	-52.2	-40.3	175.5	177.7	65.3	0	0	0	111.5	K93 L94 M177	L90-K93 WeakPolarHBondContact O-CB 3.24Å; L90-K93 PolarHBondContact O-N 3.05Å; L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.24Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.38Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.36Å; L90-L94 PolarHBondContact O-N 2.89Å; L90-M177 HydrophobicContact CD1-CE 3.65Å; L90-M177 HydrophobicContact CD2-CE 3.39Å; L90-M177 HydrophobicContact CG-CE 4.17Å
91	E	78.8	Confident	76.6	Confident	71 Å²	71	40.2 Å²	40.2	33%	0.332	20%	0.198	S	C	.	.	H	α-helix	trans	-65.7	-43.2	179.5	-168.9	179.8	117.4	0	0	112.9	T89 K93 L94 K95 R171	T89-E91 PolarHBondContact O-N 3.42Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.31Å; E91-L94 PolarHBondContact O-N 3.35Å; E91-K95 HydrophobicContact CG-CD 4.28Å; E91-K95 WeakPolarHBondContact O-CB 3.48Å; E91-K95 WeakPolarHBondContact O-CG 3.23Å; E91-K95 PolarHBondContact O-N 3.29Å; E91-K95 IonicContact OE1-NZ 3.94Å; E91-K95 PolarHBondContact OE1-NZ 2.77Å; E91-R171 IonicContact OE2-NH2 2.9Å; E91-R171 PolarHBondContact OE2-NH2 3.19Å
92	H	79.2	Confident	77	Confident	103 Å²	103	40.7 Å²	40.7	48%	0.477	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-39.5	175.1	-71.8	154.9	0	0	0	111.7	L84 T89 K95 W96	L84-H92 HydrophobicContact CD1-CB 3.6Å; T89-H92 PolarHBondContact O-N 3.16Å; T89-H92 VanDerWaalsContact O-N 3.12Å; T89-H92 PolarHBondContact OG1-N 3.4Å; T89-H92 PolarHBondContact OG1-ND1 2.82Å; H92-K95 PolarHBondContact O-N 3.39Å; H92-W96 WeakPolarHBondContact O-CB 3.42Å; H92-W96 PolarHBondContact O-N 2.87Å
93	K	77.9	Confident	77.1	Confident	36 Å²	36	46.8 Å²	46.8	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-51.4	175.3	-75.1	178.5	176.7	178.7	0	110.9	L84 V85 G88 T89 L90 E91 K95 W96 T97 M184	L84-K93 HydrophobicContact CD1-CG 4.42Å; L84-K93 WeakPolarHBondContact O-CE 3.46Å; V85-K93 WeakPolarHBondContact O-CE 3.41Å; V85-K93 PolarHBondContact O-NZ 3.25Å; V85-K93 VanDerWaalsContact O-NZ 3.15Å; G88-K93 WeakPolarHBondContact O-CE 3.35Å; T89-K93 WeakPolarHBondContact O-CG 3.37Å; T89-K93 PolarHBondContact O-N 2.83Å; L90-K93 WeakPolarHBondContact O-CB 3.24Å; L90-K93 PolarHBondContact O-N 3.05Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.31Å; K93-K95 PolarHBondContact O-N 3.15Å; K93-W96 PolarHBondContact O-N 2.72Å; K93-W96 VanDerWaalsContact O-N 3.12Å; K93-T97 PolarHBondContact O-N 3.32Å; K93-T97 PolarHBondContact O-OG1 3.4Å; K93-M184 HydrophobicContact CB-CE 4.19Å; K93-M184 HydrophobicContact CB-SD 3.5Å; K93-M184 VanDerWaalsContact CB-SD 3.5Å; K93-M184 HydrophobicContact CG-CE 3.96Å; K93-M184 HydrophobicContact CG-SD 3.93Å; K93-M184 VanDerWaalsContact O-SD 3.35Å
94	L	80.1	Confident	77.3	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-43	177.6	-69.8	171.1	0	0	0	112.6	L90 E91 W96 T97 F98 F166 V167 A170 L180	L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.24Å; L90-L94 HydrophobicContact CG-CD1 3.96Å; L90-L94 HydrophobicContact CG-CG 4.38Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.36Å; L90-L94 PolarHBondContact O-N 2.89Å; E91-L94 PolarHBondContact O-N 3.35Å; L94-W96 VanDerWaalsContact C-N 3.26Å; L94-W96 PolarHBondContact O-N 2.84Å; L94-T97 PolarHBondContact O-N 3.03Å; L94-F98 WeakPolarHBondContact O-CB 3.36Å; L94-F98 PolarHBondContact O-N 3.18Å; L94-F166 HydrophobicContact CB-CE1 4.46Å; L94-F166 HydrophobicContact CD2-CE1 4.1Å; L94-V167 HydrophobicContact CB-CG2 4.05Å; L94-V167 HydrophobicContact CD1-CG1 4.27Å; L94-A170 HydrophobicContact CD1-CB 4.02Å; L94-A170 HydrophobicContact CD2-CB 3.74Å; L94-L180 HydrophobicContact CD2-CD1 4.24Å
95	K	82	Confident	77.6	Confident	86 Å²	86	50 Å²	50	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-38	174.6	-79.8	172.1	172.8	165.9	0	112.5	E91 H92 K93 F98 K99 L163	E91-K95 HydrophobicContact CG-CD 4.28Å; E91-K95 WeakPolarHBondContact O-CB 3.48Å; E91-K95 WeakPolarHBondContact O-CG 3.23Å; E91-K95 PolarHBondContact O-N 3.29Å; E91-K95 IonicContact OE1-NZ 3.94Å; E91-K95 PolarHBondContact OE1-NZ 2.77Å; H92-K95 PolarHBondContact O-N 3.39Å; K93-K95 PolarHBondContact O-N 3.15Å; K95-F98 WeakPolarHBondContact O-CB 3.09Å; K95-K99 PolarHBondContact O-N 2.87Å; K95-L163 HydrophobicContact CB-CD1 4.42Å; K95-L163 HydrophobicContact CG-CD1 3.94Å; K95-L163 HydrophobicContact CG-CD2 4.24Å
96	W	78.6	Confident	78.3	Confident	24 Å²	24	53.5 Å²	53.5	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-75.6	-41.4	177.7	-175.5	77.3	0	0	0	112.3	M61 A64 F65 L84 H92 K93 L94 F98 K99 I100 M184	M61-W96 HydrophobicContact CE-CH2 3.64Å; M61-W96 HydrophobicContact CE-CZ3 3.96Å; M61-W96 HydrophobicContact CG-CH2 4Å; M61-W96 HydrophobicContact SD-CH2 4.39Å; A64-W96 HydrophobicContact CB-CH2 4.5Å; A64-W96 HydrophobicContact CB-CZ2 3.57Å; A64-W96 PolarHBondContact O-NE1 3.17Å; F65-W96 AromaticContact CD1-CE2 3.8Å; F65-W96 HydrophobicContact CD1-CH2 4.35Å; F65-W96 AromaticContact CD1-CZ2 3.42Å; F65-W96 HydrophobicContact CD1-CZ2 3.42Å; F65-W96 VanDerWaalsContact CD1-CZ2 3.42Å; F65-W96 AromaticContact CD1-NE1 3.82Å; F65-W96 HydrophobicContact CD2-CZ2 4.05Å; F65-W96 HydrophobicContact CE1-CD2 4.46Å; F65-W96 AromaticContact CE1-CE2 3.49Å; F65-W96 VanDerWaalsContact CE1-CE2 3.49Å; F65-W96 AromaticContact CE1-CH2 3.57Å; F65-W96 HydrophobicContact CE1-CH2 3.57Å; F65-W96 AromaticContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ2 3Å; F65-W96 HydrophobicContact CE1-CZ3 4.49Å; F65-W96 AromaticContact CE1-NE1 3.91Å; F65-W96 AromaticContact CE2-CH2 3.83Å; F65-W96 HydrophobicContact CE2-CH2 3.83Å; F65-W96 AromaticContact CE2-CZ2 3.72Å; F65-W96 HydrophobicContact CE2-CZ2 3.72Å; F65-W96 AromaticContact CG-CZ2 3.93Å; F65-W96 HydrophobicContact CG-CZ2 3.93Å; F65-W96 AromaticContact CZ-CH2 3.28Å; F65-W96 HydrophobicContact CZ-CH2 3.28Å; F65-W96 AromaticContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ2 3.19Å; F65-W96 HydrophobicContact CZ-CZ3 4.29Å; L84-W96 HydrophobicContact CD1-CB 4.43Å; L84-W96 HydrophobicContact CD2-CB 3.36Å; L84-W96 HydrophobicContact CD2-CD2 3.41Å; L84-W96 VanDerWaalsContact CD2-CD2 3.41Å; L84-W96 HydrophobicContact CD2-CE3 3.94Å; L84-W96 HydrophobicContact CD2-CG 3.11Å; L84-W96 HydrophobicContact CG-CB 4.46Å; H92-W96 WeakPolarHBondContact O-CB 3.42Å; H92-W96 PolarHBondContact O-N 2.87Å; K93-W96 PolarHBondContact O-N 2.72Å; K93-W96 VanDerWaalsContact O-N 3.12Å; L94-W96 VanDerWaalsContact C-N 3.26Å; L94-W96 PolarHBondContact O-N 2.84Å; W96-F98 PolarHBondContact O-N 2.75Å; W96-K99 WeakPolarHBondContact O-CA 3.37Å; W96-K99 WeakPolarHBondContact O-CB 3.4Å; W96-K99 PolarHBondContact O-N 3.29Å; W96-I100 HydrophobicContact CD2-CD1 4.02Å; W96-I100 HydrophobicContact CD2-CG1 4.3Å; W96-I100 HydrophobicContact CE3-CD1 3.43Å; W96-I100 VanDerWaalsContact CE3-CD1 3.43Å; W96-I100 HydrophobicContact CE3-CG1 4.21Å; W96-I100 HydrophobicContact CH2-CD1 3.4Å; W96-I100 VanDerWaalsContact CH2-CD1 3.4Å; W96-I100 HydrophobicContact CH2-CG1 4.05Å; W96-I100 HydrophobicContact CZ2-CD1 3.94Å; W96-I100 HydrophobicContact CZ2-CG1 4.09Å; W96-I100 HydrophobicContact CZ3-CD1 3.12Å; W96-I100 HydrophobicContact CZ3-CG1 4.11Å; W96-I100 WeakPolarHBondContact O-CG1 3.28Å; W96-I100 PolarHBondContact O-N 3Å; W96-M184 HydrophobicContact CD2-CE 4.37Å; W96-M184 HydrophobicContact CE3-CE 3.29Å; W96-M184 HydrophobicContact CE3-SD 3.85Å; W96-M184 HydrophobicContact CZ3-CE 3.54Å; W96-M184 HydrophobicContact CZ3-CG 4.44Å; W96-M184 HydrophobicContact CZ3-SD 4.3Å
97	T	78.5	Confident	79	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-55.2	-43.9	170.6	-59	0	0	0	0	111.2	K93 L94 K99 I100 Y101 F166 M184	K93-T97 PolarHBondContact O-N 3.32Å; K93-T97 PolarHBondContact O-OG1 3.4Å; L94-T97 PolarHBondContact O-N 3.03Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3.36Å; T97-I100 WeakPolarHBondContact O-CB 3.49Å; T97-I100 PolarHBondContact O-N 3.44Å; T97-Y101 HydrophobicContact CG2-CD1 4.46Å; T97-Y101 HydrophobicContact CG2-CD2 4.02Å; T97-Y101 HydrophobicContact CG2-CE1 3.8Å; T97-Y101 HydrophobicContact CG2-CE2 3.38Å; T97-Y101 WeakPolarHBondContact CG2-OH 3.32Å; T97-Y101 WeakPolarHBondContact O-CD1 3.48Å; T97-Y101 PolarHBondContact O-N 3.35Å; T97-Y101 VanDerWaalsContact O-N 3.11Å; T97-F166 HydrophobicContact CG2-CE1 4.24Å; T97-F166 HydrophobicContact CG2-CZ 3.86Å; T97-M184 VanDerWaalsContact OG1-CG 3.28Å; T97-M184 WeakPolarHBondContact OG1-CG 3.49Å; T97-M184 PolarHBondContact OG1-SD 3.08Å
98	F	82.7	Confident	79.8	Confident	10 Å²	10	50.4 Å²	50.4	4%	0.044	27%	0.273	C	S	.	.	H	α-helix	trans	-55.1	-46.3	174.8	-173.6	-87.4	0	0	0	111.5	L94 K95 W96 I100 Y101 D102 G107 I109 L161 L163 F166	L94-F98 WeakPolarHBondContact O-CB 3.36Å; L94-F98 PolarHBondContact O-N 3.18Å; K95-F98 WeakPolarHBondContact O-CB 3.09Å; W96-F98 PolarHBondContact O-N 2.75Å; F98-I100 VanDerWaalsContact C-N 3.29Å; F98-I100 PolarHBondContact O-N 3Å; F98-Y101 PolarHBondContact O-N 2.91Å; F98-Y101 VanDerWaalsContact O-N 3.08Å; F98-D102 HydrophobicContact CD1-CB 4.42Å; F98-D102 HydrophobicContact CE1-CB 4.16Å; F98-D102 WeakPolarHBondContact O-CB 3.25Å; F98-D102 PolarHBondContact O-N 3.45Å; F98-G107 VanDerWaalsContact CZ-O 3.24Å; F98-G107 WeakPolarHBondContact CZ-O 3.26Å; F98-I109 HydrophobicContact CD2-CD1 3.34Å; F98-I109 HydrophobicContact CD2-CG1 4.01Å; F98-I109 HydrophobicContact CE2-CD1 3.43Å; F98-I109 VanDerWaalsContact CE2-CD1 3.43Å; F98-I109 HydrophobicContact CE2-CG1 3.66Å; F98-I109 HydrophobicContact CG-CD1 4.09Å; F98-I109 HydrophobicContact CZ-CD1 4.22Å; F98-I109 HydrophobicContact CZ-CG1 3.97Å; F98-L161 VanDerWaalsContact CE2-O 3.22Å; F98-L161 WeakPolarHBondContact CE2-O 2.98Å; F98-L161 WeakPolarHBondContact CZ-O 2.92Å; F98-L163 HydrophobicContact CB-CD1 3.6Å; F98-L163 HydrophobicContact CD1-CB 4.3Å; F98-L163 HydrophobicContact CD1-CD1 3.83Å; F98-L163 HydrophobicContact CD2-CB 4.33Å; F98-L163 HydrophobicContact CD2-CD1 3.92Å; F98-L163 HydrophobicContact CE1-CB 4.17Å; F98-L163 VanDerWaalsContact CE2-CA 3.47Å; F98-L163 HydrophobicContact CE2-CB 4.19Å; F98-L163 VanDerWaalsContact CE2-N 3.35Å; F98-L163 HydrophobicContact CG-CB 4.38Å; F98-L163 HydrophobicContact CG-CD1 3.48Å; F98-L163 VanDerWaalsContact CG-CD1 3.48Å; F98-L163 HydrophobicContact CZ-CB 4.12Å; F98-F166 HydrophobicContact CB-CD1 4.17Å; F98-F166 HydrophobicContact CB-CE1 4.34Å; F98-F166 HydrophobicContact CD2-CB 3.7Å; F98-F166 AromaticContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD2 4.34Å; F98-F166 AromaticContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CE2-CB 4.05Å; F98-F166 HydrophobicContact CE2-CG 4.49Å
99	K	78.8	Confident	80.7	Confident	100 Å²	100	49.9 Å²	49.9	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-27.8	177	-166.2	-177.8	178.5	-163.4	0	113.6	K95 W96 T97 Y101	K95-K99 PolarHBondContact O-N 2.87Å; W96-K99 WeakPolarHBondContact O-CA 3.37Å; W96-K99 WeakPolarHBondContact O-CB 3.4Å; W96-K99 PolarHBondContact O-N 3.29Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3.36Å; K99-Y101 VanDerWaalsContact C-N 3.32Å
100	I	76.8	Confident	81.2	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.056	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-38.5	172.3	-61.7	162	0	0	0	110.3	A64 W96 T97 F98 I117	A64-I100 HydrophobicContact CB-CB 4.19Å; A64-I100 HydrophobicContact CB-CD1 4.4Å; A64-I100 HydrophobicContact CB-CG1 3.27Å; W96-I100 HydrophobicContact CD2-CD1 4.02Å; W96-I100 HydrophobicContact CD2-CG1 4.3Å; W96-I100 HydrophobicContact CE3-CD1 3.43Å; W96-I100 VanDerWaalsContact CE3-CD1 3.43Å; W96-I100 HydrophobicContact CE3-CG1 4.21Å; W96-I100 HydrophobicContact CH2-CD1 3.4Å; W96-I100 VanDerWaalsContact CH2-CD1 3.4Å; W96-I100 HydrophobicContact CH2-CG1 4.05Å; W96-I100 HydrophobicContact CZ2-CD1 3.94Å; W96-I100 HydrophobicContact CZ2-CG1 4.09Å; W96-I100 HydrophobicContact CZ3-CD1 3.12Å; W96-I100 HydrophobicContact CZ3-CG1 4.11Å; W96-I100 WeakPolarHBondContact O-CG1 3.28Å; W96-I100 PolarHBondContact O-N 3Å; T97-I100 WeakPolarHBondContact O-CB 3.49Å; T97-I100 PolarHBondContact O-N 3.44Å; F98-I100 VanDerWaalsContact C-N 3.29Å; F98-I100 PolarHBondContact O-N 3Å; I100-I117 HydrophobicContact CG2-CD1 4.39Å
101	Y	81	Confident	81.8	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-80.6	-38.6	-173.3	-61.9	-12	0	0	0	112.4	T97 F98 K99 K103 I109 E113 L114 I117 F166 L180 D183	T97-Y101 HydrophobicContact CG2-CD1 4.46Å; T97-Y101 HydrophobicContact CG2-CD2 4.02Å; T97-Y101 HydrophobicContact CG2-CE1 3.8Å; T97-Y101 HydrophobicContact CG2-CE2 3.38Å; T97-Y101 WeakPolarHBondContact CG2-OH 3.32Å; T97-Y101 WeakPolarHBondContact O-CD1 3.48Å; T97-Y101 PolarHBondContact O-N 3.35Å; T97-Y101 VanDerWaalsContact O-N 3.11Å; F98-Y101 PolarHBondContact O-N 2.91Å; F98-Y101 VanDerWaalsContact O-N 3.08Å; K99-Y101 VanDerWaalsContact C-N 3.32Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.3Å; Y101-I109 HydrophobicContact CD2-CD1 3.85Å; Y101-I109 HydrophobicContact CG-CD1 4.25Å; Y101-E113 WeakPolarHBondContact O-CB 3.29Å; Y101-L114 HydrophobicContact CD2-CD1 4.39Å; Y101-L114 HydrophobicContact CE2-CD1 4.48Å; Y101-I117 HydrophobicContact CD1-CB 4.02Å; Y101-I117 HydrophobicContact CD1-CD1 3.78Å; Y101-I117 HydrophobicContact CD1-CG1 3.47Å; Y101-I117 VanDerWaalsContact CD1-CG1 3.47Å; Y101-I117 HydrophobicContact CD1-CG2 3.55Å; Y101-I117 HydrophobicContact CE1-CB 4.09Å; Y101-I117 HydrophobicContact CE1-CD1 4.31Å; Y101-I117 HydrophobicContact CE1-CG1 4.02Å; Y101-I117 HydrophobicContact CE1-CG2 3.11Å; Y101-I117 HydrophobicContact CG-CG1 4.12Å; Y101-I117 HydrophobicContact CG-CG2 4.48Å; Y101-F166 AromaticContact CD2-CE2 3.8Å; Y101-F166 HydrophobicContact CD2-CE2 3.8Å; Y101-F166 AromaticContact CD2-CZ 3.84Å; Y101-F166 HydrophobicContact CD2-CZ 3.84Å; Y101-F166 AromaticContact CE2-CE2 3.78Å; Y101-F166 HydrophobicContact CE2-CE2 3.78Å; Y101-F166 AromaticContact CE2-CZ 3.62Å; Y101-F166 HydrophobicContact CE2-CZ 3.62Å; Y101-L180 HydrophobicContact CE2-CD2 3.49Å; Y101-L180 VanDerWaalsContact CE2-CD2 3.49Å; Y101-D183 PolarHBondContact OH-OD2 3.02Å
102	D	84.6	Confident	82.2	Confident	20 Å²	20	53.1 Å²	53.1	11%	0.107	28%	0.276	C	S	.	.			trans	-70.1	84.4	173	-178.9	12.5	0	0	0	109.7	F98 G105 N106 G107 I109	F98-D102 HydrophobicContact CD1-CB 4.42Å; F98-D102 HydrophobicContact CE1-CB 4.16Å; F98-D102 WeakPolarHBondContact O-CB 3.25Å; F98-D102 PolarHBondContact O-N 3.45Å; D102-G105 VanDerWaalsContact CG-CA 3.49Å; D102-G105 WeakPolarHBondContact OD1-CA 2.99Å; D102-G105 PolarHBondContact OD1-N 2.98Å; D102-G105 WeakPolarHBondContact OD2-CA 3.46Å; D102-N106 PolarHBondContact OD1-N 3.23Å; D102-G107 VanDerWaalsContact OD2-CA 3.3Å; D102-G107 WeakPolarHBondContact OD2-CA 3.19Å; D102-G107 PolarHBondContact OD2-N 3.35Å; D102-I109 HydrophobicContact CB-CG1 4.4Å
103	K	75.7	Confident	82.6	Confident	132 Å²	132	48.8 Å²	48.8	57%	0.574	26%	0.256	S	S	*	.	S	Bend	trans	-77.1	-32.8	-173.1	-178.3	179.5	178.4	178.1	0	110.8	Y101 E113	Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.3Å; K103-E113 WeakPolarHBondContact CA-OE1 3.49Å; K103-E113 HydrophobicContact CB-CG 4.32Å; K103-E113 WeakPolarHBondContact CB-OE1 3.35Å; K103-E113 PolarHBondContact N-OE1 2.87Å
104	D	81.1	Confident	82.9	Confident	99 Å²	99	47.1 Å²	47.1	53%	0.529	25%	0.249	S	C	.	.	S	Bend	trans	-85.8	-14.2	176.7	76.5	1.1	0	0	0	113.2	N106 E113	D104-N106 VanDerWaalsContact C-N 3.3Å; D104-N106 WeakPolarHBondContact OD1-CB 3.14Å; D104-N106 PolarHBondContact OD1-N 2.88Å; D104-N106 PolarHBondContact OD1-ND2 3.44Å; D104-N106 PolarHBondContact OD1-OD1 3.39Å; D104-N106 PolarHBondContact OD2-ND2 3.37Å; D104-E113 PolarHBondContact N-OE1 3.47Å; D104-E113 VanDerWaalsContact N-OE1 3.1Å
105	G	80.2	Confident	83.2	Confident	58 Å²	58	48.4 Å²	48.4	60%	0.598	26%	0.255	S	S	*	.			trans	73.9	21.9	176.9	0	0	0	0	0	112.9	D102 G107	D102-G105 VanDerWaalsContact CG-CA 3.49Å; D102-G105 WeakPolarHBondContact OD1-CA 2.99Å; D102-G105 PolarHBondContact OD1-N 2.98Å; D102-G105 WeakPolarHBondContact OD2-CA 3.46Å; G105-G107 PolarHBondContact O-N 2.87Å
106	N	84.7	Confident	83.1	Confident	83 Å²	83	47.8 Å²	47.8	44%	0.444	26%	0.256	S	S	.	.	S	Bend	trans	-77.4	-9.7	-177.2	73.8	23.9	0	0	0	112.6	D102 D104 C108	D102-N106 PolarHBondContact OD1-N 3.23Å; D104-N106 VanDerWaalsContact C-N 3.3Å; D104-N106 WeakPolarHBondContact OD1-CB 3.14Å; D104-N106 PolarHBondContact OD1-N 2.88Å; D104-N106 PolarHBondContact OD1-ND2 3.44Å; D104-N106 PolarHBondContact OD1-OD1 3.39Å; D104-N106 PolarHBondContact OD2-ND2 3.37Å; N106-C108 VanDerWaalsContact OD1-CA 3.28Å; N106-C108 WeakPolarHBondContact OD1-CA 3.19Å; N106-C108 VanDerWaalsContact OD1-CB 3.27Å; N106-C108 WeakPolarHBondContact OD1-CB 3.27Å; N106-C108 PolarHBondContact OD1-N 3.44Å; N106-C108 PolarHBondContact OD1-O 2.93Å
107	G	84.3	Confident	83.1	Confident	35 Å²	35	47.7 Å²	47.7	36%	0.361	26%	0.257	S	S	.	.	S	Bend	trans	88.9	9.4	-178.5	0	0	0	0	0	115.2	F98 D102 G105	F98-G107 VanDerWaalsContact CZ-O 3.24Å; F98-G107 WeakPolarHBondContact CZ-O 3.26Å; D102-G107 VanDerWaalsContact OD2-CA 3.3Å; D102-G107 WeakPolarHBondContact OD2-CA 3.19Å; D102-G107 PolarHBondContact OD2-N 3.35Å; G105-G107 PolarHBondContact O-N 2.87Å
108	C	88.6	Confident	83.1	Confident	28 Å²	28	47.7 Å²	47.7	19%	0.189	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	128	-175.5	-75.7	0	0	0	0	110.2	N106 Q160 L161	N106-C108 VanDerWaalsContact OD1-CA 3.28Å; N106-C108 WeakPolarHBondContact OD1-CA 3.19Å; N106-C108 VanDerWaalsContact OD1-CB 3.27Å; N106-C108 WeakPolarHBondContact OD1-CB 3.27Å; N106-C108 PolarHBondContact OD1-N 3.44Å; N106-C108 PolarHBondContact OD1-O 2.93Å; C108-Q160 HydrophobicContact CB-CB 4.07Å; C108-L161 WeakPolarHBondContact CA-O 3.49Å
109	I	87.3	Confident	82.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.3	177.5	-57.8	158.4	0	0	0	109.5	F98 Y101 D102 E113 L114 L161 F166	F98-I109 HydrophobicContact CD2-CD1 3.34Å; F98-I109 HydrophobicContact CD2-CG1 4.01Å; F98-I109 HydrophobicContact CE2-CD1 3.43Å; F98-I109 VanDerWaalsContact CE2-CD1 3.43Å; F98-I109 HydrophobicContact CE2-CG1 3.66Å; F98-I109 HydrophobicContact CG-CD1 4.09Å; F98-I109 HydrophobicContact CZ-CD1 4.22Å; F98-I109 HydrophobicContact CZ-CG1 3.97Å; Y101-I109 HydrophobicContact CD2-CD1 3.85Å; Y101-I109 HydrophobicContact CG-CD1 4.25Å; D102-I109 HydrophobicContact CB-CG1 4.4Å; I109-E113 WeakPolarHBondContact CA-OE2 3.44Å; I109-E113 HydrophobicContact CG2-CB 3.97Å; I109-L114 HydrophobicContact CG2-CB 4.02Å; I109-L161 HydrophobicContact CB-CB 4.25Å; I109-L161 PolarHBondContact N-O 3.45Å; I109-L161 PolarHBondContact O-N 3.49Å; I109-F166 HydrophobicContact CD1-CD2 3.93Å; I109-F166 HydrophobicContact CD1-CE2 4.11Å; I109-F166 HydrophobicContact CD1-CG 4.49Å
110	D	89.4	Confident	82.5	Confident	48 Å²	48	46.9 Å²	46.9	26%	0.257	26%	0.257	S	S	.	.			trans	-85.2	171.3	174.5	80.8	33	0	0	0	113	L112 E113 L114	D110-L112 VanDerWaalsContact C-N 3.3Å; D110-L112 PolarHBondContact O-N 3.27Å; D110-L112 VanDerWaalsContact OD1-CA 3.32Å; D110-L112 WeakPolarHBondContact OD1-CA 3.38Å; D110-L112 VanDerWaalsContact OD1-CB 3.32Å; D110-L112 WeakPolarHBondContact OD1-CB 3.38Å; D110-L112 PolarHBondContact OD1-N 3.45Å; D110-E113 PolarHBondContact N-OE2 2.84Å; D110-E113 PolarHBondContact O-N 3.04Å; D110-E113 WeakPolarHBondContact OD1-CG 3.42Å; D110-E113 PolarHBondContact OD1-N 3.17Å; D110-L114 PolarHBondContact O-N 2.99Å
111	R	88.6	Confident	82.2	Confident	111 Å²	111	46.7 Å²	46.7	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-35	-179.9	-73.5	-178.1	178.4	-108.7	-0.8	113.3	L115 V146 D147 F150	R111-L115 VanDerWaalsContact O-CB 3.26Å; R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 PolarHBondContact O-N 2.9Å; R111-V146 HydrophobicContact CB-CG1 4.41Å; R111-D147 IonicContact CZ-OD2 2.65Å; R111-D147 IonicContact NH1-OD2 2.95Å; R111-D147 PolarHBondContact NH1-OD2 3.49Å; R111-F150 HydrophobicContact CB-CE2 4.14Å; R111-F150 HydrophobicContact CB-CZ 4.29Å; R111-F150 HydrophobicContact CG-CD1 4.26Å; R111-F150 HydrophobicContact CG-CD2 3.83Å; R111-F150 HydrophobicContact CG-CE1 3.95Å; R111-F150 HydrophobicContact CG-CE2 3.5Å; R111-F150 VanDerWaalsContact CG-CE2 3.5Å; R111-F150 HydrophobicContact CG-CG 4.21Å; R111-F150 HydrophobicContact CG-CZ 3.56Å
112	L	87.1	Confident	81.7	Confident	118 Å²	118	49.3 Å²	49.3	62%	0.618	27%	0.266	S	S	*	.	H	α-helix	trans	-74.1	-41.1	-178.9	-64.1	173.8	0	0	0	110.8	D110 L115 N116	D110-L112 VanDerWaalsContact C-N 3.3Å; D110-L112 PolarHBondContact O-N 3.27Å; D110-L112 VanDerWaalsContact OD1-CA 3.32Å; D110-L112 WeakPolarHBondContact OD1-CA 3.38Å; D110-L112 VanDerWaalsContact OD1-CB 3.32Å; D110-L112 WeakPolarHBondContact OD1-CB 3.38Å; D110-L112 PolarHBondContact OD1-N 3.45Å; L112-L115 PolarHBondContact O-N 2.97Å; L112-N116 VanDerWaalsContact O-CG 3.22Å; L112-N116 PolarHBondContact O-N 3.32Å; L112-N116 PolarHBondContact O-ND2 3.46Å
113	E	85.9	Confident	80.9	Confident	11 Å²	11	50.5 Å²	50.5	5%	0.051	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-51.2	173.8	-73.1	-177.8	136.7	0	0	110.8	Y101 K103 D104 I109 D110 L115 N116 I117	Y101-E113 WeakPolarHBondContact O-CB 3.29Å; K103-E113 WeakPolarHBondContact CA-OE1 3.49Å; K103-E113 HydrophobicContact CB-CG 4.32Å; K103-E113 WeakPolarHBondContact CB-OE1 3.35Å; K103-E113 PolarHBondContact N-OE1 2.87Å; D104-E113 PolarHBondContact N-OE1 3.47Å; D104-E113 VanDerWaalsContact N-OE1 3.1Å; I109-E113 WeakPolarHBondContact CA-OE2 3.44Å; I109-E113 HydrophobicContact CG2-CB 3.97Å; D110-E113 PolarHBondContact N-OE2 2.84Å; D110-E113 PolarHBondContact O-N 3.04Å; D110-E113 WeakPolarHBondContact OD1-CG 3.42Å; D110-E113 PolarHBondContact OD1-N 3.17Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 2.85Å; E113-N116 PolarHBondContact O-N 2.98Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.31Å
114	L	85.4	Confident	80.3	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-39	177.4	-167	64.5	0	0	0	112	Y101 I109 D110 I117 V118 V146 I149 F150 L161	Y101-L114 HydrophobicContact CD2-CD1 4.39Å; Y101-L114 HydrophobicContact CE2-CD1 4.48Å; I109-L114 HydrophobicContact CG2-CB 4.02Å; D110-L114 PolarHBondContact O-N 2.99Å; L114-I117 PolarHBondContact O-N 3.43Å; L114-V118 HydrophobicContact CG-CG2 4.38Å; L114-V118 WeakPolarHBondContact O-CB 3.47Å; L114-V118 VanDerWaalsContact O-CG2 3.25Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.43Å; L114-V146 HydrophobicContact CB-CG1 4.48Å; L114-V146 HydrophobicContact CB-CG2 4.33Å; L114-V146 HydrophobicContact CD2-CB 4.48Å; L114-V146 HydrophobicContact CD2-CG1 4.22Å; L114-V146 HydrophobicContact CD2-CG2 4.37Å; L114-V146 HydrophobicContact CG-CG2 4.13Å; L114-I149 HydrophobicContact CD1-CD1 4.42Å; L114-I149 HydrophobicContact CD2-CB 3.81Å; L114-I149 HydrophobicContact CD2-CD1 3.99Å; L114-I149 HydrophobicContact CD2-CG2 3.65Å; L114-I149 HydrophobicContact CG-CD1 4.46Å; L114-F150 HydrophobicContact CB-CE2 4.15Å; L114-F150 HydrophobicContact CD2-CD2 3.87Å; L114-F150 HydrophobicContact CD2-CE2 3.6Å; L114-L161 HydrophobicContact CD2-CD1 4.22Å
115	L	85.9	Confident	79.4	Confident	34 Å²	34	44 Å²	44	18%	0.178	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-49.8	176.8	-174.1	71.6	0	0	0	111.9	R111 L112 E113 I117 V118 E119 P142 E143 V146	R111-L115 VanDerWaalsContact O-CB 3.26Å; R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 2.97Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 2.85Å; L115-I117 PolarHBondContact O-N 3.44Å; L115-V118 PolarHBondContact O-N 3.38Å; L115-V118 VanDerWaalsContact O-N 3.14Å; L115-E119 HydrophobicContact CG-CG 4.44Å; L115-E119 WeakPolarHBondContact O-CB 3.3Å; L115-E119 WeakPolarHBondContact O-CG 3.31Å; L115-E119 PolarHBondContact O-N 3.02Å; L115-P142 HydrophobicContact CD1-CB 3.98Å; L115-E143 HydrophobicContact CD1-CG 3.9Å; L115-V146 HydrophobicContact CB-CG2 3.96Å; L115-V146 HydrophobicContact CD1-CG2 3.88Å
116	N	80.6	Confident	78.7	Confident	73 Å²	73	48.2 Å²	48.2	39%	0.39	24%	0.242	S	C	.	.	H	α-helix	trans	-56	-40.8	179.6	-72	-45	0	0	0	111.8	L112 E113 G120	L112-N116 VanDerWaalsContact O-CG 3.22Å; L112-N116 PolarHBondContact O-N 3.32Å; L112-N116 PolarHBondContact O-ND2 3.46Å; E113-N116 PolarHBondContact O-N 2.98Å; N116-G120 PolarHBondContact O-N 3.31Å
117	I	77.3	Confident	77.4	Confident	22 Å²	22	47.4 Å²	47.4	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-68.6	-50.9	177.5	-60.4	-61.9	0	0	0	110.5	I100 Y101 E113 L114 L115 E119 G120 I121	I100-I117 HydrophobicContact CG2-CD1 4.39Å; Y101-I117 HydrophobicContact CD1-CB 4.02Å; Y101-I117 HydrophobicContact CD1-CD1 3.78Å; Y101-I117 HydrophobicContact CD1-CG1 3.47Å; Y101-I117 VanDerWaalsContact CD1-CG1 3.47Å; Y101-I117 HydrophobicContact CD1-CG2 3.55Å; Y101-I117 HydrophobicContact CE1-CB 4.09Å; Y101-I117 HydrophobicContact CE1-CD1 4.31Å; Y101-I117 HydrophobicContact CE1-CG1 4.02Å; Y101-I117 HydrophobicContact CE1-CG2 3.11Å; Y101-I117 HydrophobicContact CG-CG1 4.12Å; Y101-I117 HydrophobicContact CG-CG2 4.48Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.31Å; L114-I117 PolarHBondContact O-N 3.43Å; L115-I117 PolarHBondContact O-N 3.44Å; I117-E119 PolarHBondContact O-N 2.79Å; I117-G120 CarbonylContact O-C 3.56Å; I117-G120 WeakPolarHBondContact O-CA 3.14Å; I117-G120 PolarHBondContact O-N 2.94Å; I117-I121 HydrophobicContact CG2-CD1 3.94Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.26Å; I117-I121 PolarHBondContact O-N 3.27Å
118	V	78.8	Confident	75.9	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-41.3	-179.2	173	0	0	0	0	110.4	L114 L115 I121 Y122 P142 V145 V146 M179	L114-V118 HydrophobicContact CG-CG2 4.38Å; L114-V118 WeakPolarHBondContact O-CB 3.47Å; L114-V118 VanDerWaalsContact O-CG2 3.25Å; L114-V118 WeakPolarHBondContact O-CG2 3.42Å; L114-V118 PolarHBondContact O-N 3.43Å; L115-V118 PolarHBondContact O-N 3.38Å; L115-V118 VanDerWaalsContact O-N 3.14Å; V118-I121 PolarHBondContact O-N 3.39Å; V118-Y122 HydrophobicContact CG1-CD2 3.8Å; V118-Y122 HydrophobicContact CG1-CE2 3.79Å; V118-Y122 WeakPolarHBondContact O-CB 3.26Å; V118-Y122 VanDerWaalsContact O-CD2 3.23Å; V118-Y122 WeakPolarHBondContact O-CD2 3.33Å; V118-Y122 PolarHBondContact O-N 3.47Å; V118-P142 HydrophobicContact CB-CB 4.5Å; V118-P142 HydrophobicContact CG1-CB 3.81Å; V118-V145 HydrophobicContact CG1-CB 3.95Å; V118-V145 HydrophobicContact CG1-CG1 3.79Å; V118-V145 HydrophobicContact CG2-CG1 3.97Å; V118-V146 HydrophobicContact CB-CG2 4.39Å; V118-V146 HydrophobicContact CG2-CG2 4.14Å; V118-M179 HydrophobicContact CG1-CE 4.25Å
119	E	77.9	Confident	74.2	Confident	87 Å²	87	54.7 Å²	54.7	41%	0.407	27%	0.274	S	S	.	.	H	α-helix	trans	-59.6	-48.1	172.5	-72.4	-171.8	118.8	0	0	111.8	L115 I117 I121 Y122 Q123 P142	L115-E119 HydrophobicContact CG-CG 4.44Å; L115-E119 WeakPolarHBondContact O-CB 3.3Å; L115-E119 WeakPolarHBondContact O-CG 3.31Å; L115-E119 PolarHBondContact O-N 3.02Å; I117-E119 PolarHBondContact O-N 2.79Å; E119-I121 VanDerWaalsContact C-N 3.32Å; E119-I121 PolarHBondContact O-N 2.86Å; E119-Y122 PolarHBondContact O-N 3Å; E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.49Å; E119-P142 HydrophobicContact CG-CB 3.66Å; E119-P142 HydrophobicContact CG-CG 3.88Å
120	G	71.4	Confident	72.3	Confident	6 Å²	6	66.4 Å²	66.4	6%	0.062	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-42.5	174.6	0	0	0	0	0	113.4	N116 I117 Q123 L124	N116-G120 PolarHBondContact O-N 3.31Å; I117-G120 CarbonylContact O-C 3.56Å; I117-G120 WeakPolarHBondContact O-CA 3.14Å; I117-G120 PolarHBondContact O-N 2.94Å; G120-Q123 PolarHBondContact O-N 3.44Å; G120-L124 WeakPolarHBondContact O-CB 3.24Å; G120-L124 PolarHBondContact O-N 3.15Å
121	I	70.5	Confident	70.1	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-45.8	176.1	-63.4	164.9	0	0	0	111.1	Y57 I117 V118 E119 Q123 L124 K125 M179 D183	Y57-I121 HydrophobicContact CE2-CG1 4.35Å; I117-I121 HydrophobicContact CG2-CD1 3.94Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.26Å; I117-I121 PolarHBondContact O-N 3.27Å; V118-I121 PolarHBondContact O-N 3.39Å; E119-I121 VanDerWaalsContact C-N 3.32Å; E119-I121 PolarHBondContact O-N 2.86Å; I121-Q123 VanDerWaalsContact C-N 3.28Å; I121-Q123 PolarHBondContact O-N 3.48Å; I121-L124 PolarHBondContact O-N 3.38Å; I121-K125 HydrophobicContact CG2-CD 4.15Å; I121-K125 HydrophobicContact CG2-CG 4.46Å; I121-K125 WeakPolarHBondContact O-CB 3.13Å; I121-K125 WeakPolarHBondContact O-CG 3.2Å; I121-K125 PolarHBondContact O-N 3.3Å; I121-M179 HydrophobicContact CD1-CE 4.12Å; I121-M179 HydrophobicContact CG2-CE 4.08Å; I121-D183 WeakPolarHBondContact CD1-OD1 3.18Å; I121-D183 WeakPolarHBondContact CD1-OD2 3.37Å; I121-D183 WeakPolarHBondContact CG1-OD1 3.27Å
122	Y	71	Confident	68.1	Low	58 Å²	58	70.1 Å²	70.1	23%	0.227	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-39.4	-179.5	-94.5	-112.3	0	0	0	110.9	V118 E119 K125 K126 L140 V145 M179	V118-Y122 HydrophobicContact CG1-CD2 3.8Å; V118-Y122 HydrophobicContact CG1-CE2 3.79Å; V118-Y122 WeakPolarHBondContact O-CB 3.26Å; V118-Y122 VanDerWaalsContact O-CD2 3.23Å; V118-Y122 WeakPolarHBondContact O-CD2 3.33Å; V118-Y122 PolarHBondContact O-N 3.47Å; E119-Y122 PolarHBondContact O-N 3Å; Y122-K125 WeakPolarHBondContact O-CB 3.28Å; Y122-K125 PolarHBondContact O-N 3.04Å; Y122-K126 WeakPolarHBondContact O-CB 2.95Å; Y122-K126 PolarHBondContact O-N 3.36Å; Y122-L140 WeakPolarHBondContact CE1-O 3.17Å; Y122-L140 PolarHBondContact OH-O 3.22Å; Y122-V145 HydrophobicContact CE2-CG2 4.12Å; Y122-V145 VanDerWaalsContact OH-CG2 3.23Å; Y122-V145 WeakPolarHBondContact OH-CG2 3.37Å; Y122-M179 HydrophobicContact CD2-CE 4.18Å; Y122-M179 HydrophobicContact CE2-CE 3.77Å
123	Q	66.4	Low	65.8	Low	45 Å²	45	73.2 Å²	73.2	21%	0.21	35%	0.353	C	S	.	.	H	α-helix	trans	-71.8	-41.2	176.4	-64.1	-71.1	16.5	0	0	112	E53 E119 G120 I121 K125 K126 A127	E53-Q123 HydrophobicContact CB-CB 4.15Å; E53-Q123 HydrophobicContact CB-CG 4.05Å; E53-Q123 HydrophobicContact CG-CG 4.46Å; E53-Q123 WeakPolarHBondContact OE2-CG 3.34Å; E53-Q123 PolarHBondContact OE2-NE2 3.13Å; E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.49Å; G120-Q123 PolarHBondContact O-N 3.44Å; I121-Q123 VanDerWaalsContact C-N 3.28Å; I121-Q123 PolarHBondContact O-N 3.48Å; Q123-K125 VanDerWaalsContact C-N 3.29Å; Q123-K125 PolarHBondContact O-N 3.19Å; Q123-K126 CarbonylContact O-C 3.47Å; Q123-K126 WeakPolarHBondContact O-CA 3.44Å; Q123-K126 WeakPolarHBondContact O-CB 3.42Å; Q123-K126 PolarHBondContact O-N 3.04Å; Q123-K126 VanDerWaalsContact OE1-CD 3.27Å; Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 3.5Å
124	L	63.2	Low	63.7	Low	50 Å²	50	78.4 Å²	78.4	26%	0.262	39%	0.385	S	S	.	.	H	α-helix	trans	-60.6	-40.1	173.2	-171.3	69.8	0	0	0	111.3	Y57 G120 I121 K126 A127 C128	Y57-L124 HydrophobicContact CD1-CD2 4.19Å; Y57-L124 HydrophobicContact CE1-CD2 3.92Å; G120-L124 WeakPolarHBondContact O-CB 3.24Å; G120-L124 PolarHBondContact O-N 3.15Å; I121-L124 PolarHBondContact O-N 3.38Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 3.32Å; L124-A127 PolarHBondContact O-N 2.82Å; L124-C128 VanDerWaalsContact O-CB 3.3Å; L124-C128 WeakPolarHBondContact O-CB 3.22Å; L124-C128 PolarHBondContact O-N 2.74Å
125	K	63.8	Low	61.5	Low	43 Å²	43	86.3 Å²	86.3	19%	0.187	42%	0.422	C	S	.	.	H	α-helix	trans	-61.4	-41.9	172.7	-79	173	178.2	175.3	0	111.8	I121 Y122 Q123 R129 M182	I121-K125 HydrophobicContact CG2-CD 4.15Å; I121-K125 HydrophobicContact CG2-CG 4.46Å; I121-K125 WeakPolarHBondContact O-CB 3.13Å; I121-K125 WeakPolarHBondContact O-CG 3.2Å; I121-K125 PolarHBondContact O-N 3.3Å; Y122-K125 WeakPolarHBondContact O-CB 3.28Å; Y122-K125 PolarHBondContact O-N 3.04Å; Q123-K125 VanDerWaalsContact C-N 3.29Å; Q123-K125 PolarHBondContact O-N 3.19Å; K125-R129 WeakPolarHBondContact O-CB 3.17Å; K125-R129 PolarHBondContact O-N 2.71Å; K125-M182 HydrophobicContact CD-CE 4.43Å; K125-M182 WeakPolarHBondContact CE-SD 3.32Å; K125-M182 PolarHBondContact NZ-SD 2.81Å
126	K	64.6	Low	59.1	Low	148 Å²	148	94.7 Å²	94.7	64%	0.643	46%	0.46	S	S	*	.	H	α-helix	trans	-66.4	-37.8	177.9	-169.4	-173.9	179.3	-172.9	0	111.7	Y122 Q123 L124	Y122-K126 WeakPolarHBondContact O-CB 2.95Å; Y122-K126 PolarHBondContact O-N 3.36Å; Q123-K126 CarbonylContact O-C 3.47Å; Q123-K126 WeakPolarHBondContact O-CA 3.44Å; Q123-K126 WeakPolarHBondContact O-CB 3.42Å; Q123-K126 PolarHBondContact O-N 3.04Å; Q123-K126 VanDerWaalsContact OE1-CD 3.27Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 3.32Å
127	A	58.5	Low	57.1	Low	66 Å²	66	93.8 Å²	93.8	55%	0.545	47%	0.468	S	S	.	.	H	α-helix	trans	-74	-42.6	177.1	0	0	0	0	0	112.6	Q123 L124	Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 3.5Å; L124-A127 PolarHBondContact O-N 2.82Å
128	C	51.3	Low	55.6	Low	102 Å²	102	101.8 Å²	101.8	69%	0.689	51%	0.505	S	S	*	.	H	α-helix	trans	-79.6	-26	-179.1	-76.5	0	0	0	0	113.9	L124	L124-C128 VanDerWaalsContact O-CB 3.3Å; L124-C128 WeakPolarHBondContact O-CB 3.22Å; L124-C128 PolarHBondContact O-N 2.74Å
129	R	52.4	Low	54.6	Low	113 Å²	113	108 Å²	108	43%	0.426	54%	0.537	S	S	.	.			trans	-112.1	102.9	175.9	-74.8	-163.6	-93	-150.3	-4.1	111.4	K125 E131 L132	K125-R129 WeakPolarHBondContact O-CB 3.17Å; K125-R129 PolarHBondContact O-N 2.71Å; R129-E131 PolarHBondContact O-N 3.25Å; R129-E131 VanDerWaalsContact O-N 3.14Å; R129-L132 HydrophobicContact CB-CD1 4.34Å; R129-L132 HydrophobicContact CB-CG 4.26Å
130	R	47.6	Very low	54.1	Low	246 Å²	246	105.8 Å²	105.8	93%	0.928	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-3.3	152.3	-71.6	-172.9	-167.3	156.7	3.3	113.1
131	E	44.9	Very low	54.6	Low	155 Å²	155	108.4 Å²	108.4	72%	0.724	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	20.2	-165.5	-71.6	-178.5	150.1	0	0	115.7	R129 Q133	R129-E131 PolarHBondContact O-N 3.25Å; R129-E131 VanDerWaalsContact O-N 3.14Å; E131-Q133 PolarHBondContact O-N 2.94Å
132	L	45.9	Very low	55.1	Low	82 Å²	82	109.5 Å²	109.5	43%	0.429	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	60.7	165.1	-76.8	162.2	0	0	0	110.3	R129	R129-L132 HydrophobicContact CB-CD1 4.34Å; R129-L132 HydrophobicContact CB-CG 4.26Å
133	Q	38.7	Very low	55.8	Low	184 Å²	184	113.1 Å²	113.1	86%	0.86	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	3.3	167.4	-80.3	-169.6	-17.3	0	0	112.8	E131	E131-Q133 PolarHBondContact O-N 2.94Å
134	T	40.8	Very low	56.7	Low	120 Å²	120	115.6 Å²	115.6	74%	0.736	58%	0.581	S	S	*	*	S	Bend	trans	-130.4	6.8	-162.6	42.9	0	0	0	0	117.7
135	E	40.7	Very low	57.8	Low	168 Å²	168	113.3 Å²	113.3	79%	0.785	57%	0.569	S	S	*	*			trans	-120.9	92.3	168.3	-64.7	-163.4	109.1	0	0	110.7	G137	E135-G137 PolarHBondContact O-N 2.83Å
136	Q	33.9	Very low	58.9	Low	210 Å²	210	111.6 Å²	111.6	98%	0.981	56%	0.562	S	S	*	*			trans	-66.2	58.4	168.7	-68.5	176.8	-33.4	0	0	111.4
137	G	39.5	Very low	60	Low	53 Å²	53	108.6 Å²	108.6	55%	0.546	55%	0.553	S	S	.	*	S	Bend	trans	-128.2	104.4	172.6	0	0	0	0	0	108.5	E135 L139	E135-G137 PolarHBondContact O-N 2.83Å; G137-L139 PolarHBondContact O-N 3.25Å
138	Q	45.3	Very low	61.4	Low	190 Å²	190	110.9 Å²	110.9	89%	0.888	55%	0.548	S	S	*	.			trans	-0.4	89.3	168.2	-126	153.5	6.3	0	0	114	L140	Q138-L140 PolarHBondContact O-N 3.42Å
139	L	59.1	Low	63	Low	133 Å²	133	106.1 Å²	106.1	70%	0.696	52%	0.515	S	S	*	.			trans	-65	104.6	171.7	-78.4	165.3	0	0	0	106.7	G137 T141	G137-L139 PolarHBondContact O-N 3.25Å; L139-T141 PolarHBondContact O-N 2.88Å
140	L	67.4	Low	64.8	Low	41 Å²	41	100.9 Å²	100.9	22%	0.215	50%	0.496	C	S	.	.			trans	-54.5	136.3	171.6	-66	168.6	0	0	0	108	Y122 Q138 E144 V145 W175	Y122-L140 WeakPolarHBondContact CE1-O 3.17Å; Y122-L140 PolarHBondContact OH-O 3.22Å; Q138-L140 PolarHBondContact O-N 3.42Å; L140-E144 VanDerWaalsContact CA-OE2 3.29Å; L140-E144 WeakPolarHBondContact CA-OE2 3.15Å; L140-E144 HydrophobicContact CB-CB 3.92Å; L140-E144 HydrophobicContact CD2-CB 3.98Å; L140-E144 HydrophobicContact CG-CB 4.49Å; L140-V145 HydrophobicContact CB-CG2 3.67Å; L140-V145 HydrophobicContact CD1-CG2 4.29Å; L140-W175 HydrophobicContact CD1-CZ2 4.1Å
141	T	81.2	Confident	66.7	Low	61 Å²	61	95.9 Å²	95.9	37%	0.374	49%	0.487	S	S	.	.			trans	-59.9	155.6	170.3	66.5	0	0	0	0	109.3	L139 E143 E144 V145	L139-T141 PolarHBondContact O-N 2.88Å; T141-E143 PolarHBondContact O-N 2.6Å; T141-E144 PolarHBondContact N-OE2 3.05Å; T141-E144 PolarHBondContact O-N 3.35Å; T141-E144 VanDerWaalsContact OG1-CG 3.3Å; T141-E144 WeakPolarHBondContact OG1-CG 3.42Å; T141-E144 PolarHBondContact OG1-N 3.36Å; T141-V145 PolarHBondContact O-N 3.36Å
142	P	80.6	Confident	68.7	Low	31 Å²	31	91.3 Å²	91.3	20%	0.201	47%	0.467	C	S	.	.	H	α-helix	trans	-53.4	-36.7	174.9	22.3	-34.4	0	0	0	111.4	L115 V118 E119 V145 V146	L115-P142 HydrophobicContact CD1-CB 3.98Å; V118-P142 HydrophobicContact CB-CB 4.5Å; V118-P142 HydrophobicContact CG1-CB 3.81Å; E119-P142 HydrophobicContact CG-CB 3.66Å; E119-P142 HydrophobicContact CG-CG 3.88Å; P142-V145 PolarHBondContact O-N 2.93Å; P142-V146 VanDerWaalsContact O-CG2 3.24Å; P142-V146 WeakPolarHBondContact O-CG2 3.42Å; P142-V146 PolarHBondContact O-N 3.44Å
143	E	86.1	Confident	70.6	Confident	134 Å²	134	87.5 Å²	87.5	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-62.8	-45	173.9	-60.9	175	158.1	0	0	112.9	L115 T141 V145 V146 D147	L115-E143 HydrophobicContact CD1-CG 3.9Å; T141-E143 PolarHBondContact O-N 2.6Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 2.96Å; E143-V146 PolarHBondContact O-N 2.81Å; E143-D147 WeakPolarHBondContact O-CB 3.35Å; E143-D147 PolarHBondContact O-N 3.35Å
144	E	86.1	Confident	73	Confident	98 Å²	98	79.8 Å²	79.8	46%	0.458	41%	0.412	S	S	.	.	H	α-helix	trans	-65.2	-34.8	176.6	-76.5	178.3	126.5	0	0	112.2	L140 T141 R148	L140-E144 VanDerWaalsContact CA-OE2 3.29Å; L140-E144 WeakPolarHBondContact CA-OE2 3.15Å; L140-E144 HydrophobicContact CB-CB 3.92Å; L140-E144 HydrophobicContact CD2-CB 3.98Å; L140-E144 HydrophobicContact CG-CB 4.49Å; T141-E144 PolarHBondContact N-OE2 3.05Å; T141-E144 PolarHBondContact O-N 3.35Å; T141-E144 VanDerWaalsContact OG1-CG 3.3Å; T141-E144 WeakPolarHBondContact OG1-CG 3.42Å; T141-E144 PolarHBondContact OG1-N 3.36Å; E144-R148 WeakPolarHBondContact O-CB 3.28Å; E144-R148 PolarHBondContact O-N 2.91Å
145	V	85	Confident	75.1	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.006	41%	0.405	C	S	.	.	H	α-helix	trans	-66.5	-46.7	174	170.6	0	0	0	0	110.5	V118 Y122 L140 T141 P142 E143 R148 I149 W175 M179	V118-V145 HydrophobicContact CG1-CB 3.95Å; V118-V145 HydrophobicContact CG1-CG1 3.79Å; V118-V145 HydrophobicContact CG2-CG1 3.97Å; Y122-V145 HydrophobicContact CE2-CG2 4.12Å; Y122-V145 VanDerWaalsContact OH-CG2 3.23Å; Y122-V145 WeakPolarHBondContact OH-CG2 3.37Å; L140-V145 HydrophobicContact CB-CG2 3.67Å; L140-V145 HydrophobicContact CD1-CG2 4.29Å; T141-V145 PolarHBondContact O-N 3.36Å; P142-V145 PolarHBondContact O-N 2.93Å; E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 2.96Å; V145-R148 PolarHBondContact O-N 2.82Å; V145-I149 HydrophobicContact CG1-CD1 3.81Å; V145-I149 HydrophobicContact CG1-CG1 4.44Å; V145-I149 VanDerWaalsContact O-CG1 3.28Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 2.88Å; V145-W175 HydrophobicContact CB-CH2 4.47Å; V145-W175 HydrophobicContact CG1-CH2 3.93Å; V145-W175 HydrophobicContact CG1-CZ2 4.41Å; V145-W175 HydrophobicContact CG2-CZ2 4.43Å; V145-M179 HydrophobicContact CG1-CE 4.16Å
146	V	87.2	Confident	77.4	Confident	8 Å²	8	76.5 Å²	76.5	5%	0.048	39%	0.391	C	S	.	.	H	α-helix	trans	-58.1	-51	176.2	168.5	0	0	0	0	110	R111 L114 L115 V118 P142 E143 R148 I149 F150	R111-V146 HydrophobicContact CB-CG1 4.41Å; L114-V146 HydrophobicContact CB-CG1 4.48Å; L114-V146 HydrophobicContact CB-CG2 4.33Å; L114-V146 HydrophobicContact CD2-CB 4.48Å; L114-V146 HydrophobicContact CD2-CG1 4.22Å; L114-V146 HydrophobicContact CD2-CG2 4.37Å; L114-V146 HydrophobicContact CG-CG2 4.13Å; L115-V146 HydrophobicContact CB-CG2 3.96Å; L115-V146 HydrophobicContact CD1-CG2 3.88Å; V118-V146 HydrophobicContact CB-CG2 4.39Å; V118-V146 HydrophobicContact CG2-CG2 4.14Å; P142-V146 VanDerWaalsContact O-CG2 3.24Å; P142-V146 WeakPolarHBondContact O-CG2 3.42Å; P142-V146 PolarHBondContact O-N 3.44Å; E143-V146 PolarHBondContact O-N 2.81Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 2.83Å; V146-I149 PolarHBondContact O-N 3.35Å; V146-I149 VanDerWaalsContact O-N 3.09Å; V146-F150 HydrophobicContact CG1-CD2 3.84Å; V146-F150 HydrophobicContact CG1-CE2 4.01Å; V146-F150 WeakPolarHBondContact O-CD2 3.36Å; V146-F150 PolarHBondContact O-N 2.75Å
147	D	88.4	Confident	79.9	Confident	84 Å²	84	69.4 Å²	69.4	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-39.5	-178.7	-163	-109.1	0	0	0	111.7	R111 E143 F150 L151	R111-D147 IonicContact CZ-OD2 2.65Å; R111-D147 IonicContact NH1-OD2 2.95Å; R111-D147 PolarHBondContact NH1-OD2 3.49Å; E143-D147 WeakPolarHBondContact O-CB 3.35Å; E143-D147 PolarHBondContact O-N 3.35Å; D147-F150 PolarHBondContact O-N 2.9Å; D147-L151 WeakPolarHBondContact O-CB 3.48Å; D147-L151 PolarHBondContact O-N 3.36Å
148	R	86.6	Confident	82.2	Confident	114 Å²	114	71 Å²	71	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-38.4	175.5	-171.2	171.3	-173.9	161	3.4	113	E144 V145 V146 L152 W175	E144-R148 WeakPolarHBondContact O-CB 3.28Å; E144-R148 PolarHBondContact O-N 2.91Å; V145-R148 PolarHBondContact O-N 2.82Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 2.83Å; R148-L152 HydrophobicContact CG-CD1 3.89Å; R148-L152 WeakPolarHBondContact O-CB 3.23Å; R148-L152 WeakPolarHBondContact O-CD1 3.4Å; R148-L152 WeakPolarHBondContact O-CG 3.46Å; R148-L152 PolarHBondContact O-N 3Å; R148-L152 VanDerWaalsContact O-N 3.17Å; R148-W175 HydrophobicContact CB-CH2 4.11Å; R148-W175 HydrophobicContact CB-CZ3 4.26Å; R148-W175 HydrophobicContact CG-CE3 4.49Å; R148-W175 HydrophobicContact CG-CH2 4.02Å; R148-W175 HydrophobicContact CG-CZ3 3.86Å
149	I	86.4	Confident	84.2	Confident	3 Å²	3	63 Å²	63	2%	0.015	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-48.1	175.7	-68.2	166.4	0	0	0	109.4	L114 V145 V146 L151 L152 V153 L161 W175	L114-I149 HydrophobicContact CD1-CD1 4.42Å; L114-I149 HydrophobicContact CD2-CB 3.81Å; L114-I149 HydrophobicContact CD2-CD1 3.99Å; L114-I149 HydrophobicContact CD2-CG2 3.65Å; L114-I149 HydrophobicContact CG-CD1 4.46Å; V145-I149 HydrophobicContact CG1-CD1 3.81Å; V145-I149 HydrophobicContact CG1-CG1 4.44Å; V145-I149 VanDerWaalsContact O-CG1 3.28Å; V145-I149 WeakPolarHBondContact O-CG1 3.47Å; V145-I149 PolarHBondContact O-N 2.88Å; V146-I149 PolarHBondContact O-N 3.35Å; V146-I149 VanDerWaalsContact O-N 3.09Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 2.99Å; I149-L152 PolarHBondContact O-N 2.91Å; I149-L152 VanDerWaalsContact O-N 3.15Å; I149-V153 HydrophobicContact CG2-CB 4.44Å; I149-V153 HydrophobicContact CG2-CG2 3.93Å; I149-V153 VanDerWaalsContact O-CB 3.25Å; I149-V153 WeakPolarHBondContact O-CB 3.39Å; I149-V153 VanDerWaalsContact O-CG2 3.25Å; I149-V153 WeakPolarHBondContact O-CG2 3.28Å; I149-V153 PolarHBondContact O-N 3.29Å; I149-L161 HydrophobicContact CG2-CD1 3.94Å; I149-W175 HydrophobicContact CG1-CH2 4.19Å; I149-W175 HydrophobicContact CG1-CZ3 3.81Å
150	F	88.7	Confident	85.6	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-49.2	175.4	-88.2	-88.3	0	0	0	110.9	R111 L114 V146 D147 L152 V153 D154 G159 L161	R111-F150 HydrophobicContact CB-CE2 4.14Å; R111-F150 HydrophobicContact CB-CZ 4.29Å; R111-F150 HydrophobicContact CG-CD1 4.26Å; R111-F150 HydrophobicContact CG-CD2 3.83Å; R111-F150 HydrophobicContact CG-CE1 3.95Å; R111-F150 HydrophobicContact CG-CE2 3.5Å; R111-F150 VanDerWaalsContact CG-CE2 3.5Å; R111-F150 HydrophobicContact CG-CG 4.21Å; R111-F150 HydrophobicContact CG-CZ 3.56Å; L114-F150 HydrophobicContact CB-CE2 4.15Å; L114-F150 HydrophobicContact CD2-CD2 3.87Å; L114-F150 HydrophobicContact CD2-CE2 3.6Å; V146-F150 HydrophobicContact CG1-CD2 3.84Å; V146-F150 HydrophobicContact CG1-CE2 4.01Å; V146-F150 WeakPolarHBondContact O-CD2 3.36Å; V146-F150 PolarHBondContact O-N 2.75Å; D147-F150 PolarHBondContact O-N 2.9Å; F150-L152 PolarHBondContact O-N 2.64Å; F150-L152 VanDerWaalsContact O-N 3.09Å; F150-V153 PolarHBondContact O-N 3.15Å; F150-D154 HydrophobicContact CD1-CB 4.11Å; F150-D154 WeakPolarHBondContact O-CA 3.45Å; F150-D154 WeakPolarHBondContact O-CB 3.31Å; F150-D154 PolarHBondContact O-N 3.06Å; F150-G159 VanDerWaalsContact CE1-C 3.43Å; F150-G159 VanDerWaalsContact CE1-O 3.24Å; F150-G159 WeakPolarHBondContact CE1-O 3.3Å; F150-L161 HydrophobicContact CD1-CD2 4.04Å; F150-L161 HydrophobicContact CD1-CG 4.21Å; F150-L161 HydrophobicContact CE1-CD1 4.43Å; F150-L161 HydrophobicContact CE1-CD2 4.05Å; F150-L161 HydrophobicContact CE1-CG 3.76Å; F150-L161 HydrophobicContact CE2-CD1 4.3Å; F150-L161 HydrophobicContact CE2-CG 4.46Å; F150-L161 HydrophobicContact CZ-CD1 4.21Å; F150-L161 HydrophobicContact CZ-CG 3.91Å
151	L	87.7	Confident	86.7	Confident	142 Å²	142	58.9 Å²	58.9	74%	0.743	32%	0.315	S	S	*	.	H	α-helix	trans	-58.9	-28.7	179.8	-170.3	68.6	0	0	0	114.4	D147 I149	D147-L151 WeakPolarHBondContact O-CB 3.48Å; D147-L151 PolarHBondContact O-N 3.36Å; I149-L151 VanDerWaalsContact C-N 3.35Å; I149-L151 PolarHBondContact O-N 2.99Å
152	L	86.6	Confident	87.1	Confident	59 Å²	59	57.5 Å²	57.5	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-95.2	-27.8	-176.5	-69.3	171.5	0	0	0	113.8	R148 I149 F150 W175 V176	R148-L152 HydrophobicContact CG-CD1 3.89Å; R148-L152 WeakPolarHBondContact O-CB 3.23Å; R148-L152 WeakPolarHBondContact O-CD1 3.4Å; R148-L152 WeakPolarHBondContact O-CG 3.46Å; R148-L152 PolarHBondContact O-N 3Å; R148-L152 VanDerWaalsContact O-N 3.17Å; I149-L152 PolarHBondContact O-N 2.91Å; I149-L152 VanDerWaalsContact O-N 3.15Å; F150-L152 PolarHBondContact O-N 2.64Å; F150-L152 VanDerWaalsContact O-N 3.09Å; L152-W175 HydrophobicContact CD1-CE3 4.23Å; L152-W175 HydrophobicContact CD1-CZ3 4.47Å; L152-V176 HydrophobicContact CB-CG2 4.33Å; L152-V176 HydrophobicContact CD1-CG2 4.04Å
153	V	87.2	Confident	87.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-109.9	-35.1	-169.5	-176.2	0	0	0	0	111.6	I149 F150 E155 L161 E165 V176	I149-V153 HydrophobicContact CG2-CB 4.44Å; I149-V153 HydrophobicContact CG2-CG2 3.93Å; I149-V153 VanDerWaalsContact O-CB 3.25Å; I149-V153 WeakPolarHBondContact O-CB 3.39Å; I149-V153 VanDerWaalsContact O-CG2 3.25Å; I149-V153 WeakPolarHBondContact O-CG2 3.28Å; I149-V153 PolarHBondContact O-N 3.29Å; F150-V153 PolarHBondContact O-N 3.15Å; V153-E155 PolarHBondContact O-N 2.82Å; V153-L161 HydrophobicContact CB-CD2 3.9Å; V153-L161 HydrophobicContact CG1-CD1 4.3Å; V153-L161 HydrophobicContact CG1-CD2 3.8Å; V153-E165 HydrophobicContact CG1-CB 4.32Å; V153-E165 WeakPolarHBondContact CG1-O 3.22Å; V153-V176 HydrophobicContact CG2-CG1 4.01Å; V153-V176 HydrophobicContact CG2-CG2 4.11Å
154	D	89.4	Confident	87.5	Confident	23 Å²	23	58.3 Å²	58.3	12%	0.123	31%	0.314	C	S	.	.			trans	-74.8	87.2	177.6	-173.3	-0.5	0	0	0	109.7	F150 N156 G157 D158 G159 L161	F150-D154 HydrophobicContact CD1-CB 4.11Å; F150-D154 WeakPolarHBondContact O-CA 3.45Å; F150-D154 WeakPolarHBondContact O-CB 3.31Å; F150-D154 PolarHBondContact O-N 3.06Å; D154-N156 PolarHBondContact OD1-OD1 2.88Å; D154-G157 VanDerWaalsContact OD1-CA 3.26Å; D154-G157 WeakPolarHBondContact OD1-CA 3.39Å; D154-G157 PolarHBondContact OD1-N 2.88Å; D154-G157 WeakPolarHBondContact OD2-CA 3.3Å; D154-D158 PolarHBondContact OD1-N 3.39Å; D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.08Å; D154-L161 HydrophobicContact CB-CD2 3.75Å
155	E	85	Confident	87.7	Confident	129 Å²	129	54.6 Å²	54.6	60%	0.603	30%	0.297	S	S	*	.	S	Bend	trans	-75.3	-29.4	-179	-64.8	-163.2	143.5	0	0	112.3	V153 R172	V153-E155 PolarHBondContact O-N 2.82Å; E155-R172 IonicContact OE1-NH1 2.87Å; E155-R172 PolarHBondContact OE1-NH1 2.84Å
156	N	88	Confident	87.7	Confident	90 Å²	90	54.6 Å²	54.6	48%	0.481	30%	0.297	S	S	.	.	S	Bend	trans	-89.2	-16.8	-177	74.9	23.2	0	0	0	112.7	D154 D158 E165	D154-N156 PolarHBondContact OD1-OD1 2.88Å; N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 VanDerWaalsContact CG-CG 3.5Å; N156-D158 PolarHBondContact ND2-OD2 3.24Å; N156-D158 WeakPolarHBondContact OD1-CB 3.3Å; N156-D158 PolarHBondContact OD1-N 3.06Å; N156-D158 PolarHBondContact OD1-OD1 2.65Å; N156-D158 VanDerWaalsContact OD1-OD1 3.1Å; N156-D158 PolarHBondContact OD1-OD2 2.68Å; N156-E165 PolarHBondContact ND2-OE1 3.37Å
157	G	85.5	Confident	87.6	Confident	60 Å²	60	54.7 Å²	54.7	62%	0.619	30%	0.298	S	S	*	.			trans	70.3	22.6	178.6	0	0	0	0	0	114	D154 G159	D154-G157 VanDerWaalsContact OD1-CA 3.26Å; D154-G157 WeakPolarHBondContact OD1-CA 3.39Å; D154-G157 PolarHBondContact OD1-N 2.88Å; D154-G157 WeakPolarHBondContact OD2-CA 3.3Å; G157-G159 VanDerWaalsContact C-N 3.25Å
158	D	89	Confident	87.6	Confident	87 Å²	87	55.5 Å²	55.5	47%	0.465	30%	0.298	S	S	.	.	S	Bend	trans	-80.8	-7.1	-178.7	72.7	10.6	0	0	0	112.8	D154 N156 Q160	D154-D158 PolarHBondContact OD1-N 3.39Å; N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 VanDerWaalsContact CG-CG 3.5Å; N156-D158 PolarHBondContact ND2-OD2 3.24Å; N156-D158 WeakPolarHBondContact OD1-CB 3.3Å; N156-D158 PolarHBondContact OD1-N 3.06Å; N156-D158 PolarHBondContact OD1-OD1 2.65Å; N156-D158 VanDerWaalsContact OD1-OD1 3.1Å; N156-D158 PolarHBondContact OD1-OD2 2.68Å; D158-Q160 VanDerWaalsContact C-N 3.3Å; D158-Q160 WeakPolarHBondContact OD1-CA 3.36Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.21Å; D158-Q160 PolarHBondContact OD1-N 2.95Å
159	G	86.5	Confident	87.6	Confident	23 Å²	23	50.3 Å²	50.3	24%	0.237	28%	0.28	C	S	.	.	S	Bend	trans	77.4	16.3	-179.1	0	0	0	0	0	113.7	F150 D154 G157	F150-G159 VanDerWaalsContact CE1-C 3.43Å; F150-G159 VanDerWaalsContact CE1-O 3.24Å; F150-G159 WeakPolarHBondContact CE1-O 3.3Å; D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.08Å; G157-G159 VanDerWaalsContact C-N 3.25Å
160	Q	89.5	Confident	87.5	Confident	86 Å²	86	50.2 Å²	50.2	40%	0.402	28%	0.28	S	S	.	.			trans	-131.3	138.6	175.7	-59.2	-176.4	5.4	0	0	109.6	C108 D158	C108-Q160 HydrophobicContact CB-CB 4.07Å; D158-Q160 VanDerWaalsContact C-N 3.3Å; D158-Q160 WeakPolarHBondContact OD1-CA 3.36Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.21Å; D158-Q160 PolarHBondContact OD1-N 2.95Å
161	L	89	Confident	87.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.1	175.5	-57.4	177.7	0	0	0	109.1	F98 C108 I109 L114 I149 F150 V153 D154	F98-L161 VanDerWaalsContact CE2-O 3.22Å; F98-L161 WeakPolarHBondContact CE2-O 2.98Å; F98-L161 WeakPolarHBondContact CZ-O 2.92Å; C108-L161 WeakPolarHBondContact CA-O 3.49Å; I109-L161 HydrophobicContact CB-CB 4.25Å; I109-L161 PolarHBondContact N-O 3.45Å; I109-L161 PolarHBondContact O-N 3.49Å; L114-L161 HydrophobicContact CD2-CD1 4.22Å; I149-L161 HydrophobicContact CG2-CD1 3.94Å; F150-L161 HydrophobicContact CD1-CD2 4.04Å; F150-L161 HydrophobicContact CD1-CG 4.21Å; F150-L161 HydrophobicContact CE1-CD1 4.43Å; F150-L161 HydrophobicContact CE1-CD2 4.05Å; F150-L161 HydrophobicContact CE1-CG 3.76Å; F150-L161 HydrophobicContact CE2-CD1 4.3Å; F150-L161 HydrophobicContact CE2-CG 4.46Å; F150-L161 HydrophobicContact CZ-CD1 4.21Å; F150-L161 HydrophobicContact CZ-CG 3.91Å; V153-L161 HydrophobicContact CB-CD2 3.9Å; V153-L161 HydrophobicContact CG1-CD1 4.3Å; V153-L161 HydrophobicContact CG1-CD2 3.8Å; D154-L161 HydrophobicContact CB-CD2 3.75Å
162	S	90.5	Very high	87.1	Confident	33 Å²	33	58 Å²	58	23%	0.231	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	160.1	170.4	69.4	0	0	0	0	111.3	N164 E165 F166	S162-N164 PolarHBondContact O-N 2.97Å; S162-E165 WeakPolarHBondContact CB-OE2 3.3Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 3.14Å; S162-E165 VanDerWaalsContact O-N 3.17Å; S162-E165 VanDerWaalsContact OG-CD 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.49Å; S162-E165 PolarHBondContact OG-N 2.85Å; S162-E165 PolarHBondContact OG-OE2 3.28Å; S162-F166 WeakPolarHBondContact O-CB 3.44Å; S162-F166 PolarHBondContact O-N 3.01Å
163	L	87	Confident	87	Confident	55 Å²	55	57.3 Å²	57.3	29%	0.288	30%	0.296	S	S	.	.	H	α-helix	trans	-54.2	-38.8	177.3	178	67.2	0	0	0	112.8	K95 F98 V167	K95-L163 HydrophobicContact CB-CD1 4.42Å; K95-L163 HydrophobicContact CG-CD1 3.94Å; K95-L163 HydrophobicContact CG-CD2 4.24Å; F98-L163 HydrophobicContact CB-CD1 3.6Å; F98-L163 HydrophobicContact CD1-CB 4.3Å; F98-L163 HydrophobicContact CD1-CD1 3.83Å; F98-L163 HydrophobicContact CD2-CB 4.33Å; F98-L163 HydrophobicContact CD2-CD1 3.92Å; F98-L163 HydrophobicContact CE1-CB 4.17Å; F98-L163 VanDerWaalsContact CE2-CA 3.47Å; F98-L163 HydrophobicContact CE2-CB 4.19Å; F98-L163 VanDerWaalsContact CE2-N 3.35Å; F98-L163 HydrophobicContact CG-CB 4.38Å; F98-L163 HydrophobicContact CG-CD1 3.48Å; F98-L163 VanDerWaalsContact CG-CD1 3.48Å; F98-L163 HydrophobicContact CZ-CB 4.12Å; L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 2.92Å; L163-V167 PolarHBondContact O-N 3.27Å
164	N	88.7	Confident	86.8	Confident	126 Å²	126	65.4 Å²	65.4	67%	0.674	33%	0.331	S	S	*	.	H	α-helix	trans	-69.3	-45.3	-179.9	-71.5	-28.9	0	0	0	111.2	S162 F166 V167 E168	S162-N164 PolarHBondContact O-N 2.97Å; N164-F166 VanDerWaalsContact C-N 3.32Å; N164-F166 PolarHBondContact O-N 2.88Å; N164-V167 PolarHBondContact O-N 2.82Å; N164-E168 WeakPolarHBondContact O-CB 3.46Å; N164-E168 WeakPolarHBondContact O-CG 3.48Å; N164-E168 PolarHBondContact O-N 3.42Å
165	E	89	Confident	86.5	Confident	20 Å²	20	68 Å²	68	9%	0.093	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-44.7	175.4	-76.1	159.4	153.9	0	0	110.6	V153 N156 S162 V167 E168 G169	V153-E165 HydrophobicContact CG1-CB 4.32Å; V153-E165 WeakPolarHBondContact CG1-O 3.22Å; N156-E165 PolarHBondContact ND2-OE1 3.37Å; S162-E165 WeakPolarHBondContact CB-OE2 3.3Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 3.14Å; S162-E165 VanDerWaalsContact O-N 3.17Å; S162-E165 VanDerWaalsContact OG-CD 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.49Å; S162-E165 PolarHBondContact OG-N 2.85Å; S162-E165 PolarHBondContact OG-OE2 3.28Å; E165-V167 PolarHBondContact O-N 2.94Å; E165-E168 PolarHBondContact O-N 3.07Å; E165-G169 WeakPolarHBondContact O-CA 3.34Å; E165-G169 PolarHBondContact O-N 2.97Å
166	F	86.2	Confident	86.3	Confident	1 Å²	1	62 Å²	62	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-45.9	177.7	-173.6	-96.7	0	0	0	112.7	L94 T97 F98 Y101 I109 S162 N164 A170 L180	L94-F166 HydrophobicContact CB-CE1 4.46Å; L94-F166 HydrophobicContact CD2-CE1 4.1Å; T97-F166 HydrophobicContact CG2-CE1 4.24Å; T97-F166 HydrophobicContact CG2-CZ 3.86Å; F98-F166 HydrophobicContact CB-CD1 4.17Å; F98-F166 HydrophobicContact CB-CE1 4.34Å; F98-F166 HydrophobicContact CD2-CB 3.7Å; F98-F166 AromaticContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD1 3.99Å; F98-F166 HydrophobicContact CD2-CD2 4.34Å; F98-F166 AromaticContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CD2-CG 3.77Å; F98-F166 HydrophobicContact CE2-CB 4.05Å; F98-F166 HydrophobicContact CE2-CG 4.49Å; Y101-F166 AromaticContact CD2-CE2 3.8Å; Y101-F166 HydrophobicContact CD2-CE2 3.8Å; Y101-F166 AromaticContact CD2-CZ 3.84Å; Y101-F166 HydrophobicContact CD2-CZ 3.84Å; Y101-F166 AromaticContact CE2-CE2 3.78Å; Y101-F166 HydrophobicContact CE2-CE2 3.78Å; Y101-F166 AromaticContact CE2-CZ 3.62Å; Y101-F166 HydrophobicContact CE2-CZ 3.62Å; I109-F166 HydrophobicContact CD1-CD2 3.93Å; I109-F166 HydrophobicContact CD1-CE2 4.11Å; I109-F166 HydrophobicContact CD1-CG 4.49Å; S162-F166 WeakPolarHBondContact O-CB 3.44Å; S162-F166 PolarHBondContact O-N 3.01Å; N164-F166 VanDerWaalsContact C-N 3.32Å; N164-F166 PolarHBondContact O-N 2.88Å; F166-A170 WeakPolarHBondContact O-CB 3.2Å; F166-A170 PolarHBondContact O-N 3.17Å; F166-L180 HydrophobicContact CD2-CD1 4.49Å; F166-L180 HydrophobicContact CE1-CD1 3.93Å; F166-L180 HydrophobicContact CE2-CD1 3.7Å; F166-L180 HydrophobicContact CE2-CD2 3.72Å; F166-L180 HydrophobicContact CE2-CG 4.35Å; F166-L180 HydrophobicContact CZ-CD1 3.38Å; F166-L180 HydrophobicContact CZ-CD2 3.54Å; F166-L180 HydrophobicContact CZ-CG 4.04Å
167	V	85.6	Confident	85.8	Confident	11 Å²	11	60 Å²	60	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-68.5	-45.8	179.2	172.3	0	0	0	0	111.3	L94 L163 N164 E165 A170 R171	L94-V167 HydrophobicContact CB-CG2 4.05Å; L94-V167 HydrophobicContact CD1-CG1 4.27Å; L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 2.92Å; L163-V167 PolarHBondContact O-N 3.27Å; N164-V167 PolarHBondContact O-N 2.82Å; E165-V167 PolarHBondContact O-N 2.94Å; V167-A170 PolarHBondContact O-N 3.23Å; V167-R171 WeakPolarHBondContact O-CG 3.21Å; V167-R171 PolarHBondContact O-N 3.16Å
168	E	87.1	Confident	85.3	Confident	100 Å²	100	64 Å²	64	47%	0.467	30%	0.3	S	S	.	.	H	α-helix	trans	-69.3	-41.9	-179.6	-73.4	-60.6	120.2	0	0	111.7	N164 E165 A170 R171 R172	N164-E168 WeakPolarHBondContact O-CB 3.46Å; N164-E168 WeakPolarHBondContact O-CG 3.48Å; N164-E168 PolarHBondContact O-N 3.42Å; E165-E168 PolarHBondContact O-N 3.07Å; E168-A170 PolarHBondContact O-N 3.21Å; E168-R171 WeakPolarHBondContact O-CB 3.23Å; E168-R171 PolarHBondContact O-N 3.17Å; E168-R171 VanDerWaalsContact O-N 3.11Å; E168-R171 IonicContact OE1-NH1 2.66Å; E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.34Å; E168-R172 PolarHBondContact O-N 3.16Å
169	G	86.3	Confident	84.5	Confident	5 Å²	5	60.6 Å²	60.6	5%	0.052	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-41	174.8	0	0	0	0	0	112.4	E165 R171 R172 D173	E165-G169 WeakPolarHBondContact O-CA 3.34Å; E165-G169 PolarHBondContact O-N 2.97Å; G169-R171 VanDerWaalsContact C-N 3.31Å; G169-R171 PolarHBondContact O-N 3.33Å; G169-R172 PolarHBondContact O-N 3.14Å; G169-D173 PolarHBondContact O-N 3.34Å
170	A	84.9	Confident	83.8	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-31	172.7	0	0	0	0	0	113	L94 F166 V167 E168 M177 L180	L94-A170 HydrophobicContact CD1-CB 4.02Å; L94-A170 HydrophobicContact CD2-CB 3.74Å; F166-A170 WeakPolarHBondContact O-CB 3.2Å; F166-A170 PolarHBondContact O-N 3.17Å; V167-A170 PolarHBondContact O-N 3.23Å; E168-A170 PolarHBondContact O-N 3.21Å; A170-M177 WeakPolarHBondContact O-CB 3.29Å; A170-L180 HydrophobicContact CB-CD1 3.78Å
171	R	84.1	Confident	82.6	Confident	124 Å²	124	58.8 Å²	58.8	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-75.5	-36.9	174.4	-76.5	176.4	175.1	-173.4	2.4	112.3	E91 V167 E168 G169	E91-R171 IonicContact OE2-NH2 2.9Å; E91-R171 PolarHBondContact OE2-NH2 3.19Å; V167-R171 WeakPolarHBondContact O-CG 3.21Å; V167-R171 PolarHBondContact O-N 3.16Å; E168-R171 WeakPolarHBondContact O-CB 3.23Å; E168-R171 PolarHBondContact O-N 3.17Å; E168-R171 VanDerWaalsContact O-N 3.11Å; E168-R171 IonicContact OE1-NH1 2.66Å; G169-R171 VanDerWaalsContact C-N 3.31Å; G169-R171 PolarHBondContact O-N 3.33Å
172	R	84.7	Confident	81.1	Confident	185 Å²	185	62.6 Å²	62.6	70%	0.698	29%	0.286	S	S	*	.	H	α-helix	trans	-74.9	-43	-176.1	-174.5	175.7	178	-179	-4.4	112	E155 E168 G169	E155-R172 IonicContact OE1-NH1 2.87Å; E155-R172 PolarHBondContact OE1-NH1 2.84Å; E168-R172 VanDerWaalsContact O-CB 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.34Å; E168-R172 PolarHBondContact O-N 3.16Å; G169-R172 PolarHBondContact O-N 3.14Å
173	D	84.4	Confident	79.4	Confident	44 Å²	44	61.3 Å²	61.3	24%	0.235	28%	0.276	C	S	.	.			trans	-110.6	116.9	-173.1	-165.2	-67.5	0	0	0	112.7	G169 W175 V176 M177	G169-D173 PolarHBondContact O-N 3.34Å; D173-W175 VanDerWaalsContact C-N 3.27Å; D173-W175 PolarHBondContact O-N 3.48Å; D173-W175 VanDerWaalsContact OD1-CA 3.31Å; D173-W175 WeakPolarHBondContact OD1-CA 3.4Å; D173-W175 WeakPolarHBondContact OD1-CB 3.48Å; D173-W175 PolarHBondContact OD1-N 2.96Å; D173-V176 HydrophobicContact CB-CB 4.11Å; D173-V176 HydrophobicContact CB-CG2 3.84Å; D173-V176 PolarHBondContact O-N 3.46Å; D173-V176 PolarHBondContact OD1-N 3.49Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 3.45Å
174	K	82	Confident	77.7	Confident	171 Å²	171	59.6 Å²	59.6	74%	0.743	27%	0.267	S	S	*	.	H	α-helix	trans	-66.2	-26.9	-179.9	-66.2	-173.7	-179.9	-177.8	0	113.2	K178	K174-K178 WeakPolarHBondContact O-CB 3.39Å; K174-K178 VanDerWaalsContact O-CG 3.24Å; K174-K178 WeakPolarHBondContact O-CG 3.49Å; K174-K178 PolarHBondContact O-N 2.97Å
175	W	83.3	Confident	76	Confident	78 Å²	78	57.7 Å²	57.7	30%	0.295	26%	0.257	S	S	.	.	H	α-helix	trans	-75	-44.5	177.2	175.7	90.5	0	0	0	110.5	L140 V145 R148 I149 L152 D173 M177 K178 M179	L140-W175 HydrophobicContact CD1-CZ2 4.1Å; V145-W175 HydrophobicContact CB-CH2 4.47Å; V145-W175 HydrophobicContact CG1-CH2 3.93Å; V145-W175 HydrophobicContact CG1-CZ2 4.41Å; V145-W175 HydrophobicContact CG2-CZ2 4.43Å; R148-W175 HydrophobicContact CB-CH2 4.11Å; R148-W175 HydrophobicContact CB-CZ3 4.26Å; R148-W175 HydrophobicContact CG-CE3 4.49Å; R148-W175 HydrophobicContact CG-CH2 4.02Å; R148-W175 HydrophobicContact CG-CZ3 3.86Å; I149-W175 HydrophobicContact CG1-CH2 4.19Å; I149-W175 HydrophobicContact CG1-CZ3 3.81Å; L152-W175 HydrophobicContact CD1-CE3 4.23Å; L152-W175 HydrophobicContact CD1-CZ3 4.47Å; D173-W175 VanDerWaalsContact C-N 3.27Å; D173-W175 PolarHBondContact O-N 3.48Å; D173-W175 VanDerWaalsContact OD1-CA 3.31Å; D173-W175 WeakPolarHBondContact OD1-CA 3.4Å; D173-W175 WeakPolarHBondContact OD1-CB 3.48Å; D173-W175 PolarHBondContact OD1-N 2.96Å; W175-M177 VanDerWaalsContact C-N 3.35Å; W175-M177 PolarHBondContact O-N 2.9Å; W175-K178 PolarHBondContact O-N 3.42Å; W175-M179 PolarHBondContact O-N 2.94Å
176	V	80.3	Confident	74.2	Confident	1 Å²	1	57 Å²	57	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-49.3	173.3	177.8	0	0	0	0	109.7	L152 V153 D173 K178 M179 L180	L152-V176 HydrophobicContact CB-CG2 4.33Å; L152-V176 HydrophobicContact CD1-CG2 4.04Å; V153-V176 HydrophobicContact CG2-CG1 4.01Å; V153-V176 HydrophobicContact CG2-CG2 4.11Å; D173-V176 HydrophobicContact CB-CB 4.11Å; D173-V176 HydrophobicContact CB-CG2 3.84Å; D173-V176 PolarHBondContact O-N 3.46Å; D173-V176 PolarHBondContact OD1-N 3.49Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 2.86Å; V176-M179 PolarHBondContact O-N 3.39Å; V176-M179 VanDerWaalsContact O-N 3.11Å; V176-L180 HydrophobicContact CG1-CD1 3.72Å; V176-L180 HydrophobicContact CG1-CG 4.14Å; V176-L180 WeakPolarHBondContact O-CB 3.38Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 2.99Å; V176-L180 PolarHBondContact O-N 3.31Å
177	M	77.6	Confident	72.3	Confident	48 Å²	48	59.5 Å²	59.5	24%	0.236	27%	0.272	C	S	.	.	H	α-helix	trans	-55.3	-46.9	176.7	-164.3	178.6	-173.1	0	0	112.4	L90 A170 D173 W175 M179 L180 Q181	L90-M177 HydrophobicContact CD1-CE 3.65Å; L90-M177 HydrophobicContact CD2-CE 3.39Å; L90-M177 HydrophobicContact CG-CE 4.17Å; A170-M177 WeakPolarHBondContact O-CB 3.29Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 3.45Å; W175-M177 VanDerWaalsContact C-N 3.35Å; W175-M177 PolarHBondContact O-N 2.9Å; M177-M179 VanDerWaalsContact C-N 3.32Å; M177-M179 PolarHBondContact O-N 3.46Å; M177-L180 PolarHBondContact O-N 3.24Å; M177-Q181 VanDerWaalsContact CE-NE2 3.34Å; M177-Q181 HydrophobicContact CG-CG 4.4Å; M177-Q181 VanDerWaalsContact O-CB 3.26Å; M177-Q181 WeakPolarHBondContact O-CB 3.42Å; M177-Q181 WeakPolarHBondContact O-CG 3.45Å; M177-Q181 PolarHBondContact O-N 2.73Å
178	K	75.6	Confident	70.5	Confident	145 Å²	145	62.5 Å²	62.5	63%	0.63	29%	0.293	S	S	*	.	H	α-helix	trans	-62.8	-40.6	178.6	-82.7	178.9	179.4	-174.3	0	111.8	K174 W175 V176 M182	K174-K178 WeakPolarHBondContact O-CB 3.39Å; K174-K178 VanDerWaalsContact O-CG 3.24Å; K174-K178 WeakPolarHBondContact O-CG 3.49Å; K174-K178 PolarHBondContact O-N 2.97Å; W175-K178 PolarHBondContact O-N 3.42Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 2.86Å; K178-M182 WeakPolarHBondContact O-CG 3.38Å; K178-M182 PolarHBondContact O-N 3.41Å
179	M	72.9	Confident	68.9	Low	15 Å²	15	59.3 Å²	59.3	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-46.9	178.8	-169.7	62.9	-173.4	0	0	110.9	V118 I121 Y122 V145 W175 V176 M177 Q181 M182	V118-M179 HydrophobicContact CG1-CE 4.25Å; I121-M179 HydrophobicContact CD1-CE 4.12Å; I121-M179 HydrophobicContact CG2-CE 4.08Å; Y122-M179 HydrophobicContact CD2-CE 4.18Å; Y122-M179 HydrophobicContact CE2-CE 3.77Å; V145-M179 HydrophobicContact CG1-CE 4.16Å; W175-M179 PolarHBondContact O-N 2.94Å; V176-M179 PolarHBondContact O-N 3.39Å; V176-M179 VanDerWaalsContact O-N 3.11Å; M177-M179 VanDerWaalsContact C-N 3.32Å; M177-M179 PolarHBondContact O-N 3.46Å; M179-Q181 PolarHBondContact O-N 3.11Å; M179-M182 VanDerWaalsContact O-CB 3.25Å; M179-M182 WeakPolarHBondContact O-CB 3.34Å; M179-M182 VanDerWaalsContact O-CG 3.32Å; M179-M182 WeakPolarHBondContact O-CG 3.36Å; M179-M182 PolarHBondContact O-N 3.09Å; M179-M182 VanDerWaalsContact O-N 3.15Å; M179-M182 HydrophobicContact SD-SD 4.42Å
180	L	70.2	Confident	67.1	Low	6 Å²	6	59.8 Å²	59.8	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-33	178.3	-65.3	179.8	0	0	0	113.8	L94 Y101 F166 A170 V176 M177 M182 D183	L94-L180 HydrophobicContact CD2-CD1 4.24Å; Y101-L180 HydrophobicContact CE2-CD2 3.49Å; Y101-L180 VanDerWaalsContact CE2-CD2 3.49Å; F166-L180 HydrophobicContact CD2-CD1 4.49Å; F166-L180 HydrophobicContact CE1-CD1 3.93Å; F166-L180 HydrophobicContact CE2-CD1 3.7Å; F166-L180 HydrophobicContact CE2-CD2 3.72Å; F166-L180 HydrophobicContact CE2-CG 4.35Å; F166-L180 HydrophobicContact CZ-CD1 3.38Å; F166-L180 HydrophobicContact CZ-CD2 3.54Å; F166-L180 HydrophobicContact CZ-CG 4.04Å; A170-L180 HydrophobicContact CB-CD1 3.78Å; V176-L180 HydrophobicContact CG1-CD1 3.72Å; V176-L180 HydrophobicContact CG1-CG 4.14Å; V176-L180 WeakPolarHBondContact O-CB 3.38Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 2.99Å; V176-L180 PolarHBondContact O-N 3.31Å; M177-L180 PolarHBondContact O-N 3.24Å; L180-M182 PolarHBondContact O-N 2.78Å; L180-D183 WeakPolarHBondContact O-CB 3.23Å; L180-D183 PolarHBondContact O-N 3.48Å
181	Q	65.9	Low	65.4	Low	66 Å²	66	61.7 Å²	61.7	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-67.6	-19.8	174.3	-80	-179.7	-9.4	0	0	112.5	M177 M179 D183 M184	M177-Q181 VanDerWaalsContact CE-NE2 3.34Å; M177-Q181 HydrophobicContact CG-CG 4.4Å; M177-Q181 VanDerWaalsContact O-CB 3.26Å; M177-Q181 WeakPolarHBondContact O-CB 3.42Å; M177-Q181 WeakPolarHBondContact O-CG 3.45Å; M177-Q181 PolarHBondContact O-N 2.73Å; M179-Q181 PolarHBondContact O-N 3.11Å; Q181-D183 PolarHBondContact O-N 2.93Å; Q181-M184 PolarHBondContact O-N 2.95Å
182	M	56.6	Low	63.7	Low	80 Å²	80	60.9 Å²	60.9	39%	0.394	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-30.7	177.3	-51.9	-154.6	66.4	0	0	111.4	K125 K178 M179 L180	K125-M182 HydrophobicContact CD-CE 4.43Å; K125-M182 WeakPolarHBondContact CE-SD 3.32Å; K125-M182 PolarHBondContact NZ-SD 2.81Å; K178-M182 WeakPolarHBondContact O-CG 3.38Å; K178-M182 PolarHBondContact O-N 3.41Å; M179-M182 VanDerWaalsContact O-CB 3.25Å; M179-M182 WeakPolarHBondContact O-CB 3.34Å; M179-M182 VanDerWaalsContact O-CG 3.32Å; M179-M182 WeakPolarHBondContact O-CG 3.36Å; M179-M182 PolarHBondContact O-N 3.09Å; M179-M182 VanDerWaalsContact O-N 3.15Å; M179-M182 HydrophobicContact SD-SD 4.42Å; L180-M182 PolarHBondContact O-N 2.78Å
183	D	55.4	Low	61.9	Low	5 Å²	5	54.4 Å²	54.4	3%	0.027	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-35.6	178.6	-65	-75.9	0	0	0	113.4	Y57 Y101 I121 L180 Q181 N185	Y57-D183 WeakPolarHBondContact CE2-OD1 3.43Å; Y57-D183 VanDerWaalsContact OH-CA 3.26Å; Y57-D183 WeakPolarHBondContact OH-CA 3.25Å; Y57-D183 PolarHBondContact OH-O 3.36Å; Y57-D183 PolarHBondContact OH-OD1 3.44Å; Y101-D183 PolarHBondContact OH-OD2 3.02Å; I121-D183 WeakPolarHBondContact CD1-OD1 3.18Å; I121-D183 WeakPolarHBondContact CD1-OD2 3.37Å; I121-D183 WeakPolarHBondContact CG1-OD1 3.27Å; L180-D183 WeakPolarHBondContact O-CB 3.23Å; L180-D183 PolarHBondContact O-N 3.48Å; Q181-D183 PolarHBondContact O-N 2.93Å; D183-N185 VanDerWaalsContact C-N 3.29Å; D183-N185 PolarHBondContact O-N 2.66Å
184	M	51	Low	60	Low	19 Å²	19	61.4 Å²	61.4	9%	0.094	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	29.8	-172.5	-71.3	-142.7	69.3	0	0	114.2	L84 V85 K93 W96 T97 Q181 P186	L84-M184 HydrophobicContact CD2-CE 4.42Å; V85-M184 HydrophobicContact CG2-CE 4.46Å; K93-M184 HydrophobicContact CB-CE 4.19Å; K93-M184 HydrophobicContact CB-SD 3.5Å; K93-M184 VanDerWaalsContact CB-SD 3.5Å; K93-M184 HydrophobicContact CG-CE 3.96Å; K93-M184 HydrophobicContact CG-SD 3.93Å; K93-M184 VanDerWaalsContact O-SD 3.35Å; W96-M184 HydrophobicContact CD2-CE 4.37Å; W96-M184 HydrophobicContact CE3-CE 3.29Å; W96-M184 HydrophobicContact CE3-SD 3.85Å; W96-M184 HydrophobicContact CZ3-CE 3.54Å; W96-M184 HydrophobicContact CZ3-CG 4.44Å; W96-M184 HydrophobicContact CZ3-SD 4.3Å; T97-M184 VanDerWaalsContact OG1-CG 3.28Å; T97-M184 WeakPolarHBondContact OG1-CG 3.49Å; T97-M184 PolarHBondContact OG1-SD 3.08Å; Q181-M184 PolarHBondContact O-N 2.95Å; M184-P186 WeakPolarHBondContact O-CD 3.45Å
185	N	53.3	Low	58.4	Low	86 Å²	86	62.5 Å²	62.5	46%	0.46	30%	0.296	S	S	.	.			trans	-97.9	51.5	167.5	-143.3	-39.6	0	0	0	113.8	D183 S187 S188	D183-N185 VanDerWaalsContact C-N 3.29Å; D183-N185 PolarHBondContact O-N 2.66Å; N185-S187 PolarHBondContact O-N 3.07Å; N185-S187 VanDerWaalsContact OD1-C 3.26Å; N185-S187 VanDerWaalsContact OD1-CA 3.29Å; N185-S187 WeakPolarHBondContact OD1-CA 3.34Å; N185-S187 WeakPolarHBondContact OD1-CB 3.3Å; N185-S187 PolarHBondContact OD1-N 3.32Å; N185-S187 PolarHBondContact OD1-OG 3.37Å; N185-S188 PolarHBondContact O-N 2.69Å; N185-S188 PolarHBondContact O-OG 3.26Å; N185-S188 PolarHBondContact OD1-N 3.06Å
186	P	51.1	Low	56.5	Low	5 Å²	5	65.2 Å²	65.2	3%	0.032	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-4.8	151	-4.7	19.6	0	0	0	110.2	M61 V85 M184 S188 W189 L190	M61-P186 HydrophobicContact CE-CG 4.17Å; M61-P186 HydrophobicContact SD-CG 4.32Å; V85-P186 HydrophobicContact CB-CG 4.49Å; V85-P186 HydrophobicContact CG1-CB 3.95Å; V85-P186 HydrophobicContact CG1-CG 3.92Å; V85-P186 HydrophobicContact CG2-CB 4.19Å; V85-P186 HydrophobicContact CG2-CG 3.7Å; M184-P186 WeakPolarHBondContact O-CD 3.45Å; P186-S188 PolarHBondContact O-N 2.79Å; P186-W189 HydrophobicContact CB-CB 4.37Å; P186-W189 HydrophobicContact CB-CE3 4.1Å; P186-W189 CarbonylContact O-C 3.56Å; P186-W189 WeakPolarHBondContact O-CA 2.96Å; P186-W189 WeakPolarHBondContact O-CB 3.41Å; P186-W189 PolarHBondContact O-N 3.48Å; P186-W189 VanDerWaalsContact O-N 3.15Å; P186-L190 HydrophobicContact CB-CD1 4.45Å; P186-L190 WeakPolarHBondContact O-CA 3.44Å; P186-L190 WeakPolarHBondContact O-CB 3.48Å; P186-L190 WeakPolarHBondContact O-CD1 3.36Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 2.98Å
187	S	45.6	Very low	54.6	Low	54 Å²	54	67.5 Å²	67.5	38%	0.378	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-29	164.9	-6.5	0	0	0	0	111.9	N185 A191	N185-S187 PolarHBondContact O-N 3.07Å; N185-S187 VanDerWaalsContact OD1-C 3.26Å; N185-S187 VanDerWaalsContact OD1-CA 3.29Å; N185-S187 WeakPolarHBondContact OD1-CA 3.34Å; N185-S187 WeakPolarHBondContact OD1-CB 3.3Å; N185-S187 PolarHBondContact OD1-N 3.32Å; N185-S187 PolarHBondContact OD1-OG 3.37Å; S187-A191 WeakPolarHBondContact O-CA 3.35Å; S187-A191 WeakPolarHBondContact O-CB 3.05Å; S187-A191 PolarHBondContact O-N 3.11Å
188	S	49.1	Very low	52.9	Low	75 Å²	75	69.3 Å²	69.3	52%	0.524	35%	0.348	S	S	.	.	H	α-helix	trans	-70.4	-45.3	169.3	69.3	0	0	0	0	111.5	N185 P186 L190 A191 Q192	N185-S188 PolarHBondContact O-N 2.69Å; N185-S188 PolarHBondContact O-OG 3.26Å; N185-S188 PolarHBondContact OD1-N 3.06Å; P186-S188 PolarHBondContact O-N 2.79Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.41Å; S188-A191 PolarHBondContact O-N 3.48Å; S188-Q192 VanDerWaalsContact O-CB 3.27Å; S188-Q192 WeakPolarHBondContact O-CB 3.26Å; S188-Q192 PolarHBondContact O-N 2.9Å
189	W	51.6	Low	51.1	Low	33 Å²	33	70.1 Å²	70.1	13%	0.125	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-40.9	174.7	176.4	85.1	0	0	0	111.6	F46 Y78 L82 P186 Q192 Q193	F46-W189 HydrophobicContact CE1-CB 4.12Å; F46-W189 AromaticContact CE1-CD1 3.74Å; F46-W189 AromaticContact CE1-CG 3.99Å; F46-W189 HydrophobicContact CE1-CG 3.99Å; F46-W189 AromaticContact CE2-CD1 3.96Å; F46-W189 AromaticContact CE2-NE1 3.89Å; F46-W189 HydrophobicContact CZ-CB 4.36Å; F46-W189 AromaticContact CZ-CD1 3.63Å; F46-W189 HydrophobicContact CZ-CD2 4.25Å; F46-W189 AromaticContact CZ-CG 3.85Å; F46-W189 HydrophobicContact CZ-CG 3.85Å; F46-W189 AromaticContact CZ-NE1 3.97Å; Y78-W189 AromaticContact CE2-CH2 3.83Å; Y78-W189 HydrophobicContact CE2-CH2 3.83Å; L82-W189 HydrophobicContact CD2-CZ3 4.13Å; P186-W189 HydrophobicContact CB-CB 4.37Å; P186-W189 HydrophobicContact CB-CE3 4.1Å; P186-W189 CarbonylContact O-C 3.56Å; P186-W189 WeakPolarHBondContact O-CA 2.96Å; P186-W189 WeakPolarHBondContact O-CB 3.41Å; P186-W189 PolarHBondContact O-N 3.48Å; P186-W189 VanDerWaalsContact O-N 3.15Å; W189-Q192 PolarHBondContact O-N 3.41Å; W189-Q193 WeakPolarHBondContact O-CG 3.43Å; W189-Q193 PolarHBondContact O-N 3.04Å
190	L	49.6	Very low	49.3	Very low	15 Å²	15	81.5 Å²	81.5	8%	0.079	41%	0.405	C	S	.	.	H	α-helix	trans	-76.2	-37.8	177.5	-76.2	162.3	0	0	0	112.5	L82 V85 L86 P186 S188 Q192 Q193 R194	L82-L190 HydrophobicContact CD2-CD1 4.34Å; L82-L190 HydrophobicContact CD2-CD2 3.22Å; L82-L190 HydrophobicContact CD2-CG 4.3Å; V85-L190 HydrophobicContact CB-CD1 3.85Å; V85-L190 HydrophobicContact CG1-CD1 3.38Å; L86-L190 HydrophobicContact CD2-CD1 3.89Å; L86-L190 HydrophobicContact CG-CD1 4.09Å; P186-L190 HydrophobicContact CB-CD1 4.45Å; P186-L190 WeakPolarHBondContact O-CA 3.44Å; P186-L190 WeakPolarHBondContact O-CB 3.48Å; P186-L190 WeakPolarHBondContact O-CD1 3.36Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 2.98Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.41Å; L190-Q192 VanDerWaalsContact C-N 3.25Å; L190-Q192 PolarHBondContact O-N 2.96Å; L190-Q193 PolarHBondContact O-N 2.93Å; L190-R194 WeakPolarHBondContact O-CB 3.35Å; L190-R194 WeakPolarHBondContact O-CG 3.37Å; L190-R194 PolarHBondContact O-N 3.29Å
191	A	48.6	Very low	48.2	Very low	40 Å²	40	85.3 Å²	85.3	33%	0.331	42%	0.424	S	S	.	.	H	α-helix	trans	-66.3	-33.7	172.8	0	0	0	0	0	110.6	S187 S188 R194 R195	S187-A191 WeakPolarHBondContact O-CA 3.35Å; S187-A191 WeakPolarHBondContact O-CB 3.05Å; S187-A191 PolarHBondContact O-N 3.11Å; S188-A191 PolarHBondContact O-N 3.48Å; A191-R194 PolarHBondContact O-N 3.47Å; A191-R195 WeakPolarHBondContact O-CB 3.5Å; A191-R195 WeakPolarHBondContact O-CG 3.48Å; A191-R195 PolarHBondContact O-N 3.44Å
192	Q	48.6	Very low	47.3	Very low	108 Å²	108	86.3 Å²	86.3	51%	0.505	43%	0.43	S	S	.	.	H	α-helix	trans	-71.7	-36.2	173.6	-164.8	162.6	-10.8	0	0	111.9	S188 W189 L190 R195 K196	S188-Q192 VanDerWaalsContact O-CB 3.27Å; S188-Q192 WeakPolarHBondContact O-CB 3.26Å; S188-Q192 PolarHBondContact O-N 2.9Å; W189-Q192 PolarHBondContact O-N 3.41Å; L190-Q192 VanDerWaalsContact C-N 3.25Å; L190-Q192 PolarHBondContact O-N 2.96Å; Q192-R195 PolarHBondContact O-N 3.47Å; Q192-K196 PolarHBondContact O-N 3.13Å; Q192-K196 VanDerWaalsContact O-N 3.11Å
193	Q	46.7	Very low	46.8	Very low	48 Å²	48	86.6 Å²	86.6	22%	0.224	43%	0.432	C	S	.	.	H	α-helix	trans	-64.8	-42.7	168.7	-77.1	-66.3	-20.5	0	0	112.4	W189 L190 R195 K196 S197	W189-Q193 WeakPolarHBondContact O-CG 3.43Å; W189-Q193 PolarHBondContact O-N 3.04Å; L190-Q193 PolarHBondContact O-N 2.93Å; Q193-R195 PolarHBondContact O-N 3.49Å; Q193-K196 PolarHBondContact O-N 3.3Å; Q193-S197 PolarHBondContact O-N 3.48Å; Q193-S197 VanDerWaalsContact O-N 3.15Å; Q193-S197 PolarHBondContact O-OG 2.94Å
194	R	46	Very low	46.3	Very low	191 Å²	191	91.4 Å²	91.4	72%	0.721	46%	0.456	S	S	*	.	H	α-helix	trans	-62.3	-39	174.3	-73.8	-176.6	103.2	172.2	6.8	112.3	L190 A191 S197 A198	L190-R194 WeakPolarHBondContact O-CB 3.35Å; L190-R194 WeakPolarHBondContact O-CG 3.37Å; L190-R194 PolarHBondContact O-N 3.29Å; A191-R194 PolarHBondContact O-N 3.47Å; R194-S197 PolarHBondContact O-N 3.15Å; R194-A198 PolarHBondContact O-N 3.36Å
195	R	46.5	Very low	46	Very low	194 Å²	194	95.9 Å²	95.9	73%	0.732	48%	0.479	S	S	*	.	H	α-helix	trans	-70.4	-33.9	177.7	-82.6	-176.3	180	138.2	0.4	113.7	A191 Q192 Q193 A198	A191-R195 WeakPolarHBondContact O-CB 3.5Å; A191-R195 WeakPolarHBondContact O-CG 3.48Å; A191-R195 PolarHBondContact O-N 3.44Å; Q192-R195 PolarHBondContact O-N 3.47Å; Q193-R195 PolarHBondContact O-N 3.49Å; R195-A198 PolarHBondContact O-N 3.43Å
196	K	45.2	Very low	45.5	Very low	136 Å²	136	96.6 Å²	96.6	59%	0.591	48%	0.48	S	S	*	.	H	α-helix	trans	-71.4	-33.2	174.5	-78.9	-172.8	174.4	-174.5	0	112.6	Q192 Q193 A198	Q192-K196 PolarHBondContact O-N 3.13Å; Q192-K196 VanDerWaalsContact O-N 3.11Å; Q193-K196 PolarHBondContact O-N 3.3Å; K196-A198 VanDerWaalsContact C-N 3.27Å; K196-A198 PolarHBondContact O-N 3.37Å
197	S	40.6	Very low	45.1	Very low	48 Å²	48	103.1 Å²	103.1	34%	0.336	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.9	172.3	-68.1	0	0	0	0	114.7	K27 Q193 R194	K27-S197 PolarHBondContact NZ-OG 3.38Å; Q193-S197 PolarHBondContact O-N 3.48Å; Q193-S197 VanDerWaalsContact O-N 3.15Å; Q193-S197 PolarHBondContact O-OG 2.94Å; R194-S197 PolarHBondContact O-N 3.15Å
198	A	40.2	Very low	45.1	Very low	86 Å²	86	106.9 Å²	106.9	71%	0.711	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.4	177.1	0	0	0	0	0	113.2	R194 R195 K196	R194-A198 PolarHBondContact O-N 3.36Å; R195-A198 PolarHBondContact O-N 3.43Å; K196-A198 VanDerWaalsContact C-N 3.27Å; K196-A198 PolarHBondContact O-N 3.37Å
199	M	39.6	Very low	44.7	Very low	162 Å²	162	109.6 Å²	109.6	80%	0.798	52%	0.522	S	S	*	.			trans	-106.2	4.6	178.2	-79.7	-153.8	-141.8	0	0	114
200	F	33.8	Very low	44.1	Very low	254 Å²	254	116.5 Å²	116.5	100%	1.114	56%	0.558	S	S	*	*			trans	-139.7	0	175	-77.3	-82.6	0	0	0	111.2

Retrieved 200 of 200 residues in 118 ms (Link to these results)

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