A0A061ILK7_CRIGR Loading...

Methylmalonyl-CoA mutase, mitochondrial

Catalyzes the reversible isomerization of methylmalonyl-CoA (MMCoA) (generated from branched-chain amino acid metabolism and degradation of dietary odd chain fatty acids and cholesterol) to succinyl-CoA (3-carboxypropionyl-CoA), a key intermediate of the tricarboxylic acid cycle.

AlphaFold DB , UniProt , Accession A0A061ILK7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mmut, Length 748 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	32.1	Very low	30.5	Very low	244 Å²	244	170.7 Å²	170.7	100%	1.202	84%	0.843	S	S	*	*				0	80.5	0	-74.1	176.7	171.6	0	0	107.2
2	L	33.6	Very low	31.2	Very low	163 Å²	163	162 Å²	162	85%	0.853	81%	0.812	S	S	*	*				63.2	95.5	68.7	-109.6	151.5	0	0	0	114.2
3	R	29.4	Very low	32	Very low	237 Å²	237	158.4 Å²	158.4	89%	0.894	81%	0.807	S	S	*	*				155.1	120.8	124.8	-85.6	175	178.2	-171	0.4	112
4	A	28.5	Very low	32.3	Very low	94 Å²	94	157.3 Å²	157.3	78%	0.777	80%	0.796	S	S	*	*				170.5	115.6	113.4	0	0	0	0	0	114.3
5	K	29.4	Very low	32.4	Very low	201 Å²	201	156.1 Å²	156.1	87%	0.874	78%	0.78	S	S	*	*			trans	54.9	95.9	137.6	-63.5	-178.9	175.8	-178.4	0	120.4
6	N	28.4	Very low	32.6	Very low	159 Å²	159	152.5 Å²	152.5	85%	0.85	76%	0.763	S	S	*	*			trans	-103.8	120.6	143.2	-90.5	-19.9	0	0	0	108.6
7	Q	28.2	Very low	32.7	Very low	172 Å²	172	152.5 Å²	152.5	80%	0.804	76%	0.757	S	S	*	*			trans	-116.7	101.6	161.4	-90.8	-172.2	-18.5	0	0	107.4
8	L	29	Very low	32.5	Very low	146 Å²	146	150.6 Å²	150.6	76%	0.764	75%	0.746	S	S	*	*			trans	-81	117.9	159.9	-95.8	98.1	0	0	0	107.8	L10	L8-L10 PolarHBondContact O-N 3.04Å
9	F	29.6	Very low	32.5	Very low	188 Å²	188	148.2 Å²	148.2	83%	0.825	74%	0.735	S	S	*	*			trans	-74.4	103.5	160.9	-88.1	-90.3	0	0	0	108.4	L11	F9-L11 PolarHBondContact O-N 3.49Å
10	L	32.3	Very low	32.4	Very low	161 Å²	161	149 Å²	149	84%	0.843	74%	0.735	S	S	*	*			trans	-74.5	102	166.7	-81.9	157.7	0	0	0	108.6	L8	L8-L10 PolarHBondContact O-N 3.04Å
11	L	35.3	Very low	32.4	Very low	113 Å²	113	147.1 Å²	147.1	59%	0.592	73%	0.727	S	S	*	*			trans	-64.9	134.8	165.4	-75.8	164.7	0	0	0	109.2	F9	F9-L11 PolarHBondContact O-N 3.49Å
12	S	38.9	Very low	32.4	Very low	66 Å²	66	140.2 Å²	140.2	46%	0.462	70%	0.699	S	S	.	*			trans	-63.7	149.5	-176.6	93.2	0	0	0	0	111.4	H14 Y15	S12-H14 PolarHBondContact O-N 3.01Å; S12-H14 PolarHBondContact OG-N 3.48Å; S12-Y15 PolarHBondContact O-N 3.04Å
13	P	40.8	Very low	32.5	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	68%	0.684	S	S	*	*	H	α-helix	trans	-56.6	-18.6	178.5	-24	32.9	0	0	0	114.1	K17	P13-K17 PolarHBondContact O-N 3.42Å
14	H	36.7	Very low	32.5	Very low	143 Å²	143	127.5 Å²	127.5	66%	0.662	66%	0.663	S	S	*	*	H	α-helix	trans	-76.8	-34.5	178.9	-146.1	55.3	0	0	0	112.4	S12 K17 Q18	S12-H14 PolarHBondContact O-N 3.01Å; S12-H14 PolarHBondContact OG-N 3.48Å; H14-K17 PolarHBondContact O-N 2.95Å; H14-Q18 PolarHBondContact O-N 2.67Å
15	Y	33.6	Very low	32.5	Very low	139 Å²	139	125.5 Å²	125.5	55%	0.545	64%	0.644	S	S	.	*	H	α-helix	trans	-76.5	-34.6	179.8	-134.7	-94.6	0	0	0	112.3	S12 K17 Q18 L19	S12-Y15 PolarHBondContact O-N 3.04Å; Y15-K17 PolarHBondContact O-N 3.46Å; Y15-Q18 PolarHBondContact O-N 3.18Å; Y15-L19 HydrophobicContact CD1-CD1 4.24Å; Y15-L19 PolarHBondContact O-N 3.16Å; Y15-L19 VanDerWaalsContact O-N 3.17Å
16	L	35.7	Very low	32.6	Very low	99 Å²	99	125.6 Å²	125.6	52%	0.518	64%	0.639	S	S	.	*	H	α-helix	trans	-67.7	-23.2	171.3	-83.3	159.2	0	0	0	112.9	K20	L16-K20 PolarHBondContact O-N 3.07Å
17	K	33.7	Very low	32.9	Very low	152 Å²	152	127.6 Å²	127.6	66%	0.661	64%	0.635	S	S	*	*	H	α-helix	trans	-78	-37.3	175	-148.4	173.4	-176.6	-177.5	0	111.6	P13 H14 Y15 K20 D21	P13-K17 PolarHBondContact O-N 3.42Å; H14-K17 PolarHBondContact O-N 2.95Å; Y15-K17 PolarHBondContact O-N 3.46Å; K17-K20 PolarHBondContact O-N 3.15Å; K17-D21 PolarHBondContact O-N 3.09Å
18	Q	30.7	Very low	32.9	Very low	119 Å²	119	127.6 Å²	127.6	56%	0.556	63%	0.632	S	S	*	*	H	α-helix	trans	-71.2	-30.5	174.4	-95.9	179.3	-15	0	0	114.2	H14 Y15 D21 T22	H14-Q18 PolarHBondContact O-N 2.67Å; Y15-Q18 PolarHBondContact O-N 3.18Å; Q18-D21 PolarHBondContact O-N 3.18Å; Q18-T22 PolarHBondContact O-OG1 2.7Å
19	L	31.5	Very low	33.1	Very low	104 Å²	104	131.5 Å²	131.5	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-76.8	-23	175.2	-79.5	162.2	0	0	0	113.5	Y15	Y15-L19 HydrophobicContact CD1-CD1 4.24Å; Y15-L19 PolarHBondContact O-N 3.16Å; Y15-L19 VanDerWaalsContact O-N 3.17Å
20	K	30.8	Very low	33.6	Very low	165 Å²	165	127.9 Å²	127.9	72%	0.717	63%	0.625	S	S	*	*	H	α-helix	trans	-80.2	-18.4	170.9	-81.8	-177.1	173.6	-178	0	113.5	L16 K17	L16-K20 PolarHBondContact O-N 3.07Å; K17-K20 PolarHBondContact O-N 3.15Å
21	D	31.8	Very low	34.1	Very low	109 Å²	109	126.2 Å²	126.2	58%	0.583	62%	0.616	S	S	*	*	S	Bend	trans	-101.8	1	-172.9	-123	-14.2	0	0	0	114.9	K17 Q18 S25	K17-D21 PolarHBondContact O-N 3.09Å; Q18-D21 PolarHBondContact O-N 3.18Å; D21-S25 VanDerWaalsContact O-CB 3.31Å; D21-S25 WeakPolarHBondContact O-CB 3.43Å; D21-S25 PolarHBondContact O-OG 3.17Å
22	T	33.5	Very low	35	Very low	99 Å²	99	123.8 Å²	123.8	61%	0.607	60%	0.602	S	S	*	*	S	Bend	trans	-117.8	-11.5	-173.9	46.2	0	0	0	0	115.5	Q18	Q18-T22 PolarHBondContact O-OG1 2.7Å
23	S	34.2	Very low	36	Very low	78 Å²	78	128.2 Å²	128.2	55%	0.545	62%	0.615	S	S	.	*	S	Bend	trans	-109.9	-36.9	170.5	63.2	0	0	0	0	112.9	W27	S23-W27 VanDerWaalsContact O-CD1 3.31Å
24	A	29.5	Very low	37.7	Very low	55 Å²	55	127.3 Å²	127.3	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-78.1	-26.9	179.2	0	0	0	0	0	113.8	K28	A24-K28 PolarHBondContact O-N 3Å; A24-K28 VanDerWaalsContact O-N 3.14Å
25	S	28.7	Very low	40.2	Very low	52 Å²	52	124.6 Å²	124.6	36%	0.364	59%	0.588	S	S	.	*	H	α-helix	trans	-75.6	-23.4	179.6	63.2	0	0	0	0	113.4	D21	D21-S25 VanDerWaalsContact O-CB 3.31Å; D21-S25 WeakPolarHBondContact O-CB 3.43Å; D21-S25 PolarHBondContact O-OG 3.17Å
26	R	32.1	Very low	43.1	Very low	204 Å²	204	122.5 Å²	122.5	77%	0.77	59%	0.592	S	S	*	*	H	α-helix	trans	-77.2	-30.8	177.4	-141.5	176.1	-170.9	-170.6	1.6	112.4
27	W	33.8	Very low	46	Very low	201 Å²	201	118.9 Å²	118.9	76%	0.761	57%	0.573	S	S	*	*	H	α-helix	trans	-88.2	-26.8	176	-68.3	101.5	0	0	0	113.3	S23 R29 L30	S23-W27 VanDerWaalsContact O-CD1 3.31Å; W27-R29 PolarHBondContact O-N 3.26Å; W27-L30 HydrophobicContact CE3-CD1 4.12Å; W27-L30 HydrophobicContact CZ3-CD1 4.38Å; W27-L30 PolarHBondContact O-N 3.45Å
28	K	28.6	Very low	49	Very low	171 Å²	171	115 Å²	115	74%	0.743	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-14.9	173.5	-100.3	-176.8	174.5	-178.5	0	114.7	A24	A24-K28 PolarHBondContact O-N 3Å; A24-K28 VanDerWaalsContact O-N 3.14Å
29	R	33.6	Very low	52.2	Low	228 Å²	228	113.9 Å²	113.9	86%	0.86	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-3.5	175.5	-95.8	-174.5	-177	-173.1	1.2	114.7	W27	W27-R29 PolarHBondContact O-N 3.26Å
30	L	39.6	Very low	55.3	Low	113 Å²	113	115.5 Å²	115.5	59%	0.592	57%	0.565	S	S	*	*			trans	-104.2	3.3	-175.1	-81.3	159.2	0	0	0	114.4	W27 H32	W27-L30 HydrophobicContact CE3-CD1 4.12Å; W27-L30 HydrophobicContact CZ3-CD1 4.38Å; W27-L30 PolarHBondContact O-N 3.45Å; L30-H32 PolarHBondContact O-N 3.41Å
31	L	43.4	Very low	58.6	Low	125 Å²	125	110.4 Å²	110.4	65%	0.654	54%	0.541	S	S	*	.	S	Bend	trans	-71.9	103.2	165.2	-73.8	166	0	0	0	107.2	Q33	L31-Q33 PolarHBondContact O-N 3.47Å
32	H	53.4	Low	61.7	Low	62 Å²	62	106.3 Å²	106.3	29%	0.287	52%	0.522	S	S	.	.			trans	-54.1	100.9	170.9	-174.4	72	0	0	0	108.1	L30 Q34 D435	L30-H32 PolarHBondContact O-N 3.41Å; H32-Q34 PolarHBondContact O-N 3.32Å; H32-D435 IonicContact CD2-OD1 3.75Å
33	Q	61.3	Low	64.8	Low	160 Å²	160	106.5 Å²	106.5	75%	0.748	52%	0.523	S	S	*	.			trans	-73.2	109.9	167.3	-76.3	-175.1	-6.9	0	0	106	L31 Q35	L31-Q33 PolarHBondContact O-N 3.47Å; Q33-Q35 PolarHBondContact O-N 3.41Å
34	Q	74.9	Confident	67.8	Low	95 Å²	95	107.6 Å²	107.6	44%	0.444	52%	0.523	S	S	.	.			trans	-52.8	114.5	173.9	-82	-167.1	-17.7	0	0	108.6	H32 D435	H32-Q34 PolarHBondContact O-N 3.32Å; Q34-D435 PolarHBondContact NE2-OD2 3.38Å
35	Q	89.1	Confident	71.1	Confident	86 Å²	86	105.2 Å²	105.2	40%	0.402	50%	0.503	S	S	.	.			trans	-63.1	143.9	175.9	-66.8	-66.2	-35.5	0	0	109	Q33 K68 D75	Q33-Q35 PolarHBondContact O-N 3.41Å; Q35-K68 PolarHBondContact O-NZ 3.09Å; Q35-D75 WeakPolarHBondContact CB-OD1 3.33Å
36	P	94.2	Very high	74.4	Confident	96 Å²	96	108 Å²	108	62%	0.623	51%	0.508	S	S	*	.			trans	-63.9	178.2	174.6	29.4	-35.5	0	0	0	111.6	H38 K68	P36-H38 PolarHBondContact O-N 2.96Å; P36-K68 PolarHBondContact O-NZ 3.17Å
37	L	96.8	Very high	77.6	Confident	22 Å²	22	106.5 Å²	106.5	12%	0.115	51%	0.507	C	S	.	.			trans	-59.3	138.6	169.6	-62.7	176.9	0	0	0	110	P39 W41 A42 P54 E55 I58 K68 P69	L37-P39 WeakPolarHBondContact O-CD 3.34Å; L37-P39 VanDerWaalsContact O-N 3.15Å; L37-W41 HydrophobicContact CD1-CZ3 4.23Å; L37-W41 HydrophobicContact CD2-CZ3 4.12Å; L37-A42 HydrophobicContact CB-CB 4.39Å; L37-P54 HydrophobicContact CD1-CB 4.1Å; L37-E55 HydrophobicContact CD1-CG 3.81Å; L37-I58 HydrophobicContact CD2-CG1 4.4Å; L37-K68 HydrophobicContact CD2-CB 4.17Å; L37-K68 HydrophobicContact CD2-CD 4.18Å; L37-K68 HydrophobicContact CD2-CG 4.27Å; L37-P69 HydrophobicContact CD2-CG 3.96Å
38	H	97.5	Very high	80.6	Confident	70 Å²	70	104.8 Å²	104.8	32%	0.324	51%	0.508	S	S	.	.			trans	-58.6	119.9	179.8	-173.3	-81.6	0	0	0	109.8	P36 E40 W41 A42	P36-H38 PolarHBondContact O-N 2.96Å; H38-E40 VanDerWaalsContact C-N 3.35Å; H38-E40 IonicContact CE1-OE2 3.13Å; H38-E40 PolarHBondContact O-N 2.77Å; H38-W41 HydrophobicContact CB-CB 4.1Å; H38-W41 PolarHBondContact O-N 3.41Å; H38-A42 PolarHBondContact O-N 3.27Å
39	P	97.4	Very high	83.9	Confident	96 Å²	96	99.3 Å²	99.3	62%	0.623	49%	0.486	S	S	*	.	H	α-helix	trans	-57.4	-43.6	-166.7	-28.7	34.9	0	0	0	113.9	L37 W41 A42 V43	L37-P39 WeakPolarHBondContact O-CD 3.34Å; L37-P39 VanDerWaalsContact O-N 3.15Å; P39-W41 PolarHBondContact O-N 3.41Å; P39-A42 PolarHBondContact O-N 2.83Å; P39-V43 WeakPolarHBondContact O-CG2 3.47Å; P39-V43 PolarHBondContact O-N 2.63Å; P39-V43 VanDerWaalsContact O-N 3.14Å
40	E	98	Very high	87	Confident	139 Å²	139	98.1 Å²	98.1	65%	0.65	49%	0.487	S	S	*	.	H	α-helix	trans	-64.4	-40.7	178.5	-172.3	-179.4	178.1	0	0	112	H38 V43 L44	H38-E40 VanDerWaalsContact C-N 3.35Å; H38-E40 IonicContact CE1-OE2 3.13Å; H38-E40 PolarHBondContact O-N 2.77Å; E40-V43 PolarHBondContact O-N 3Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.08Å; E40-L44 VanDerWaalsContact O-N 3.15Å
41	W	98.3	Very high	89.6	Confident	58 Å²	58	95 Å²	95	22%	0.22	48%	0.482	C	S	.	.	H	α-helix	trans	-68.7	-40.2	178.1	174.1	82.7	0	0	0	110.9	L37 H38 P39 V43 L44 A45 P54 L57 P69 L70	L37-W41 HydrophobicContact CD1-CZ3 4.23Å; L37-W41 HydrophobicContact CD2-CZ3 4.12Å; H38-W41 HydrophobicContact CB-CB 4.1Å; H38-W41 PolarHBondContact O-N 3.41Å; P39-W41 PolarHBondContact O-N 3.41Å; W41-V43 VanDerWaalsContact C-N 3.28Å; W41-V43 PolarHBondContact O-N 3.41Å; W41-L44 CarbonylContact O-C 3.58Å; W41-L44 WeakPolarHBondContact O-CB 3.4Å; W41-L44 PolarHBondContact O-N 3.43Å; W41-L44 VanDerWaalsContact O-N 3.1Å; W41-A45 HydrophobicContact CD2-CB 4.33Å; W41-A45 HydrophobicContact CE3-CB 4.4Å; W41-A45 HydrophobicContact CH2-CB 3.94Å; W41-A45 HydrophobicContact CZ2-CB 3.92Å; W41-A45 HydrophobicContact CZ3-CB 4.2Å; W41-A45 WeakPolarHBondContact O-CB 3.48Å; W41-A45 PolarHBondContact O-N 3.35Å; W41-P54 HydrophobicContact CZ3-CB 4.18Å; W41-L57 HydrophobicContact CH2-CD1 4.34Å; W41-P69 HydrophobicContact CH2-CB 3.76Å; W41-P69 HydrophobicContact CH2-CG 3.28Å; W41-P69 HydrophobicContact CZ2-CB 4.18Å; W41-P69 HydrophobicContact CZ2-CG 4.15Å; W41-P69 HydrophobicContact CZ3-CG 3.77Å; W41-L70 HydrophobicContact CB-CD2 3.7Å; W41-L70 HydrophobicContact CD2-CB 3.95Å; W41-L70 HydrophobicContact CD2-CD2 3.79Å; W41-L70 HydrophobicContact CD2-CG 4.49Å; W41-L70 HydrophobicContact CE3-CB 4.36Å; W41-L70 HydrophobicContact CG-CB 4.38Å; W41-L70 HydrophobicContact CG-CD2 3.29Å; W41-L70 HydrophobicContact CG-CG 4.4Å; W41-L70 HydrophobicContact CZ2-CB 4.16Å
42	A	98	Very high	92.1	Very high	22 Å²	22	95.9 Å²	95.9	18%	0.182	48%	0.481	C	S	.	.	H	α-helix	trans	-60.2	-38.9	177.6	0	0	0	0	0	111.5	L37 H38 P39 K46 P54	L37-A42 HydrophobicContact CB-CB 4.39Å; H38-A42 PolarHBondContact O-N 3.27Å; P39-A42 PolarHBondContact O-N 2.83Å; A42-K46 VanDerWaalsContact O-CB 3.25Å; A42-K46 WeakPolarHBondContact O-CB 3.39Å; A42-K46 PolarHBondContact O-N 3.49Å; A42-P54 HydrophobicContact CB-CG 4.4Å; A42-P54 VanDerWaalsContact O-CG 3.31Å; A42-P54 WeakPolarHBondContact O-CG 3.2Å
43	V	98.1	Very high	94.2	Very high	103 Å²	103	96.4 Å²	96.4	62%	0.624	49%	0.486	S	S	*	.	H	α-helix	trans	-63	-45.3	173.3	173.3	0	0	0	0	111.3	P39 E40 W41 K46 K47	P39-V43 WeakPolarHBondContact O-CG2 3.47Å; P39-V43 PolarHBondContact O-N 2.63Å; P39-V43 VanDerWaalsContact O-N 3.14Å; E40-V43 PolarHBondContact O-N 3Å; W41-V43 VanDerWaalsContact C-N 3.28Å; W41-V43 PolarHBondContact O-N 3.41Å; V43-K46 PolarHBondContact O-N 3.41Å; V43-K47 WeakPolarHBondContact O-CB 3.38Å; V43-K47 PolarHBondContact O-N 2.95Å
44	L	98.4	Very high	95.9	Very high	102 Å²	102	89.1 Å²	89.1	53%	0.534	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-46.5	177	-69.5	171.9	0	0	0	112	E40 W41 K47 Q48	E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.08Å; E40-L44 VanDerWaalsContact O-N 3.15Å; W41-L44 CarbonylContact O-C 3.58Å; W41-L44 WeakPolarHBondContact O-CB 3.4Å; W41-L44 PolarHBondContact O-N 3.43Å; W41-L44 VanDerWaalsContact O-N 3.1Å; L44-K47 WeakPolarHBondContact O-CB 3.37Å; L44-K47 PolarHBondContact O-N 3.07Å; L44-Q48 WeakPolarHBondContact O-CB 3.39Å; L44-Q48 PolarHBondContact O-N 2.89Å
45	A	98.1	Very high	96.9	Very high	4 Å²	4	90.1 Å²	90.1	3%	0.033	46%	0.457	C	S	.	.	H	α-helix	trans	-61.9	-45.8	177.6	0	0	0	0	0	111	W41 K47 Q48 L49 P54	W41-A45 HydrophobicContact CD2-CB 4.33Å; W41-A45 HydrophobicContact CE3-CB 4.4Å; W41-A45 HydrophobicContact CH2-CB 3.94Å; W41-A45 HydrophobicContact CZ2-CB 3.92Å; W41-A45 HydrophobicContact CZ3-CB 4.2Å; W41-A45 WeakPolarHBondContact O-CB 3.48Å; W41-A45 PolarHBondContact O-N 3.35Å; A45-K47 VanDerWaalsContact C-N 3.3Å; A45-K47 PolarHBondContact O-N 2.9Å; A45-Q48 PolarHBondContact O-N 3.21Å; A45-Q48 VanDerWaalsContact O-N 3.16Å; A45-L49 WeakPolarHBondContact O-CB 3.43Å; A45-L49 WeakPolarHBondContact O-CG 3.45Å; A45-L49 PolarHBondContact O-N 3.4Å; A45-P54 HydrophobicContact CB-CB 4.14Å; A45-P54 HydrophobicContact CB-CG 4.08Å
46	K	98.2	Very high	97.3	Very high	112 Å²	112	91.8 Å²	91.8	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-60.1	-40.9	176.5	-174.7	169.2	-173.7	174.6	0	111.8	A42 V43 L49 K50 G51 P54	A42-K46 VanDerWaalsContact O-CB 3.25Å; A42-K46 WeakPolarHBondContact O-CB 3.39Å; A42-K46 PolarHBondContact O-N 3.49Å; V43-K46 PolarHBondContact O-N 3.41Å; K46-L49 PolarHBondContact O-N 2.87Å; K46-K50 PolarHBondContact O-N 2.96Å; K46-G51 WeakPolarHBondContact CE-O 3.34Å; K46-G51 PolarHBondContact O-N 3.02Å; K46-P54 HydrophobicContact CB-CG 3.88Å
47	K	98.1	Very high	97.4	Very high	172 Å²	172	91 Å²	91	75%	0.748	46%	0.459	S	S	*	.	H	α-helix	trans	-62.8	-47.1	174.5	-175.5	-179.6	178.9	-178.5	0	111.2	V43 L44 A45 L49 K50	V43-K47 WeakPolarHBondContact O-CB 3.38Å; V43-K47 PolarHBondContact O-N 2.95Å; L44-K47 WeakPolarHBondContact O-CB 3.37Å; L44-K47 PolarHBondContact O-N 3.07Å; A45-K47 VanDerWaalsContact C-N 3.3Å; A45-K47 PolarHBondContact O-N 2.9Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 3.27Å; K47-K50 PolarHBondContact O-N 3.06Å
48	Q	98.3	Very high	97.5	Very high	165 Å²	165	92.1 Å²	92.1	77%	0.771	46%	0.464	S	S	*	.	H	α-helix	trans	-62.1	-40.7	178.1	-174.9	-179.6	5.9	0	0	112.1	L44 A45 K50	L44-Q48 WeakPolarHBondContact O-CB 3.39Å; L44-Q48 PolarHBondContact O-N 2.89Å; A45-Q48 PolarHBondContact O-N 3.21Å; A45-Q48 VanDerWaalsContact O-N 3.16Å; Q48-K50 PolarHBondContact O-N 3.48Å
49	L	97.6	Very high	97.5	Very high	56 Å²	56	94.3 Å²	94.3	29%	0.293	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	10.4	178.9	-60.5	171.6	0	0	0	113.6	A45 K46 K47 G51 K52 L57	A45-L49 WeakPolarHBondContact O-CB 3.43Å; A45-L49 WeakPolarHBondContact O-CG 3.45Å; A45-L49 PolarHBondContact O-N 3.4Å; K46-L49 PolarHBondContact O-N 2.87Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-L49 PolarHBondContact O-N 3.27Å; L49-G51 VanDerWaalsContact C-N 3.29Å; L49-G51 PolarHBondContact O-N 2.76Å; L49-K52 HydrophobicContact CB-CB 3.95Å; L49-K52 HydrophobicContact CD1-CB 4.48Å; L49-K52 WeakPolarHBondContact O-CG 3.45Å; L49-K52 PolarHBondContact O-N 2.72Å; L49-L57 HydrophobicContact CD1-CD1 3.93Å; L49-L57 HydrophobicContact CD1-CG 4.32Å
50	K	97.4	Very high	97.5	Very high	202 Å²	202	99.5 Å²	99.5	88%	0.878	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	42	178.5	-56.9	179.7	179.7	179	0	113.2	K46 K47 Q48	K46-K50 PolarHBondContact O-N 2.96Å; K47-K50 PolarHBondContact O-N 3.06Å; Q48-K50 PolarHBondContact O-N 3.48Å
51	G	95.4	Very high	97.5	Very high	47 Å²	47	93.3 Å²	93.3	49%	0.485	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	-7.9	173.1	0	0	0	0	0	116.1	K46 L49	K46-G51 WeakPolarHBondContact CE-O 3.34Å; K46-G51 PolarHBondContact O-N 3.02Å; L49-G51 VanDerWaalsContact C-N 3.29Å; L49-G51 PolarHBondContact O-N 2.76Å
52	K	96.1	Very high	97.4	Very high	145 Å²	145	93.6 Å²	93.6	63%	0.63	46%	0.458	S	S	*	.			trans	-62.8	152.6	174.6	-61.9	-177.6	175	-172.3	0	112	L49 P54	L49-K52 HydrophobicContact CB-CB 3.95Å; L49-K52 HydrophobicContact CD1-CB 4.48Å; L49-K52 WeakPolarHBondContact O-CG 3.45Å; L49-K52 PolarHBondContact O-N 2.72Å; K52-P54 WeakPolarHBondContact O-CD 3.42Å
53	N	97.2	Very high	97.4	Very high	73 Å²	73	94.1 Å²	94.1	39%	0.39	46%	0.457	S	S	.	.			trans	-73.1	121	-178.7	-172.4	4.1	0	0	0	110.4	E55 D56	N53-E55 PolarHBondContact ND2-OE2 3.26Å; N53-E55 VanDerWaalsContact ND2-OE2 3.16Å; N53-E55 PolarHBondContact O-N 2.83Å; N53-E55 PolarHBondContact OD1-N 2.69Å; N53-D56 WeakPolarHBondContact O-CB 3.32Å; N53-D56 PolarHBondContact O-N 3Å; N53-D56 VanDerWaalsContact O-N 3.09Å
54	P	96.7	Very high	97.3	Very high	7 Å²	7	92.5 Å²	92.5	5%	0.045	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-60.6	-21.4	175.5	-24.3	35.1	0	0	0	114.4	L37 W41 A42 A45 K46 K52 D56 L57	L37-P54 HydrophobicContact CD1-CB 4.1Å; W41-P54 HydrophobicContact CZ3-CB 4.18Å; A42-P54 HydrophobicContact CB-CG 4.4Å; A42-P54 VanDerWaalsContact O-CG 3.31Å; A42-P54 WeakPolarHBondContact O-CG 3.2Å; A45-P54 HydrophobicContact CB-CB 4.14Å; A45-P54 HydrophobicContact CB-CG 4.08Å; K46-P54 HydrophobicContact CB-CG 3.88Å; K52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-D56 PolarHBondContact O-N 2.79Å; P54-L57 WeakPolarHBondContact O-CB 3.49Å; P54-L57 PolarHBondContact O-N 2.85Å; P54-L57 VanDerWaalsContact O-N 3.15Å
55	E	96.5	Very high	97.3	Very high	115 Å²	115	88.1 Å²	88.1	54%	0.537	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22.7	175	-63.5	178.7	155	0	0	112.9	L37 N53 L57 I58	L37-E55 HydrophobicContact CD1-CG 3.81Å; N53-E55 PolarHBondContact ND2-OE2 3.26Å; N53-E55 VanDerWaalsContact ND2-OE2 3.16Å; N53-E55 PolarHBondContact O-N 2.83Å; N53-E55 PolarHBondContact OD1-N 2.69Å; E55-L57 PolarHBondContact O-N 2.86Å; E55-L57 VanDerWaalsContact O-N 3.15Å; E55-I58 HydrophobicContact CB-CD1 4.18Å; E55-I58 HydrophobicContact CG-CD1 4.42Å; E55-I58 WeakPolarHBondContact O-CB 3.47Å; E55-I58 WeakPolarHBondContact O-CG1 3.47Å; E55-I58 PolarHBondContact O-N 3.32Å
56	D	96.8	Very high	97.3	Very high	121 Å²	121	89.9 Å²	89.9	65%	0.647	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-65.1	-16.3	174.6	-57.2	-20.2	0	0	0	111.7	N53 P54	N53-D56 WeakPolarHBondContact O-CB 3.32Å; N53-D56 PolarHBondContact O-N 3Å; N53-D56 VanDerWaalsContact O-N 3.09Å; P54-D56 PolarHBondContact O-N 2.79Å
57	L	97.6	Very high	97.3	Very high	81 Å²	81	85.2 Å²	85.2	42%	0.424	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-86.5	-5.6	175.7	-57.2	-178.8	0	0	0	113.5	W41 L49 P54 E55 W59 P69	W41-L57 HydrophobicContact CH2-CD1 4.34Å; L49-L57 HydrophobicContact CD1-CD1 3.93Å; L49-L57 HydrophobicContact CD1-CG 4.32Å; P54-L57 WeakPolarHBondContact O-CB 3.49Å; P54-L57 PolarHBondContact O-N 2.85Å; P54-L57 VanDerWaalsContact O-N 3.15Å; E55-L57 PolarHBondContact O-N 2.86Å; E55-L57 VanDerWaalsContact O-N 3.15Å; L57-W59 PolarHBondContact O-N 2.69Å; L57-P69 HydrophobicContact CB-CB 3.95Å; L57-P69 HydrophobicContact CB-CG 3.97Å
58	I	98.1	Very high	97.3	Very high	44 Å²	44	78 Å²	78	23%	0.226	40%	0.399	C	S	.	.			trans	-66.6	121.6	176.1	-65.9	171	0	0	0	108.2	L37 E55 R60	L37-I58 HydrophobicContact CD2-CG1 4.4Å; E55-I58 HydrophobicContact CB-CD1 4.18Å; E55-I58 HydrophobicContact CG-CD1 4.42Å; E55-I58 WeakPolarHBondContact O-CB 3.47Å; E55-I58 WeakPolarHBondContact O-CG1 3.47Å; E55-I58 PolarHBondContact O-N 3.32Å; I58-R60 PolarHBondContact O-N 3.32Å
59	W	98.1	Very high	97.3	Very high	116 Å²	116	72.7 Å²	72.7	44%	0.439	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	109	176.9	179.2	23.9	0	0	0	109.4	L57 T61 I67 N312	L57-W59 PolarHBondContact O-N 2.69Å; W59-T61 HydrophobicContact CD2-CG2 3.84Å; W59-T61 HydrophobicContact CE3-CG2 4.18Å; W59-T61 HydrophobicContact CG-CG2 4.22Å; W59-T61 HydrophobicContact CH2-CG2 4.5Å; W59-T61 HydrophobicContact CZ2-CG2 4.17Å; W59-T61 HydrophobicContact CZ3-CG2 4.49Å; W59-T61 PolarHBondContact O-N 3.49Å; W59-I67 HydrophobicContact CB-CB 4.39Å; W59-I67 HydrophobicContact CE3-CB 4.27Å; W59-I67 HydrophobicContact CE3-CD1 3.82Å; W59-I67 HydrophobicContact CZ3-CD1 3.91Å; W59-I67 PolarHBondContact N-O 3.38Å; W59-I67 PolarHBondContact O-N 3.42Å; W59-N312 WeakPolarHBondContact CH2-ND2 3.17Å; W59-N312 WeakPolarHBondContact CH2-OD1 3.36Å
60	R	96.8	Very high	97.3	Very high	205 Å²	205	73.3 Å²	73.3	77%	0.774	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	106	171.4	-60.4	-179.8	-175.9	-177.6	0.9	108.1	I58	I58-R60 PolarHBondContact O-N 3.32Å
61	T	98.1	Very high	97.3	Very high	9 Å²	9	64.8 Å²	64.8	6%	0.055	34%	0.344	C	S	.	.			trans	-81.3	160	-174.9	79.4	0	0	0	0	111.2	W59 E63 G64 I65 I67 M315	W59-T61 HydrophobicContact CD2-CG2 3.84Å; W59-T61 HydrophobicContact CE3-CG2 4.18Å; W59-T61 HydrophobicContact CG-CG2 4.22Å; W59-T61 HydrophobicContact CH2-CG2 4.5Å; W59-T61 HydrophobicContact CZ2-CG2 4.17Å; W59-T61 HydrophobicContact CZ3-CG2 4.49Å; W59-T61 PolarHBondContact O-N 3.49Å; T61-E63 WeakPolarHBondContact CB-OE2 3.42Å; T61-E63 PolarHBondContact O-N 2.95Å; T61-E63 WeakPolarHBondContact OG1-CB 3.39Å; T61-E63 PolarHBondContact OG1-N 2.73Å; T61-E63 PolarHBondContact OG1-OE2 3.49Å; T61-G64 PolarHBondContact O-N 3.25Å; T61-I65 PolarHBondContact N-O 3.1Å; T61-I65 PolarHBondContact OG1-O 2.9Å; T61-I67 HydrophobicContact CG2-CD1 3.68Å; T61-I67 HydrophobicContact CG2-CG1 3.87Å; T61-M315 HydrophobicContact CG2-CE 4.31Å
62	P	96.9	Very high	97.4	Very high	64 Å²	64	63.5 Å²	63.5	42%	0.416	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.3	173.7	-27	36.8	0	0	0	114.1	G64	P62-G64 PolarHBondContact O-N 2.95Å
63	E	97.6	Very high	97.5	Very high	34 Å²	34	65.4 Å²	65.4	16%	0.159	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.2	175.6	-65.5	74.4	-163.7	0	0	113.7	T61 I65 D270 A271 I272 M315	T61-E63 WeakPolarHBondContact CB-OE2 3.42Å; T61-E63 PolarHBondContact O-N 2.95Å; T61-E63 WeakPolarHBondContact OG1-CB 3.39Å; T61-E63 PolarHBondContact OG1-N 2.73Å; T61-E63 PolarHBondContact OG1-OE2 3.49Å; E63-I65 VanDerWaalsContact C-N 3.26Å; E63-I65 HydrophobicContact CB-CG1 4.38Å; E63-I65 PolarHBondContact O-N 3.3Å; E63-D270 HydrophobicContact CG-CB 4.02Å; E63-A271 HydrophobicContact CG-CB 4.11Å; E63-I272 HydrophobicContact CB-CD1 4.47Å; E63-I272 HydrophobicContact CB-CG1 3.69Å; E63-I272 HydrophobicContact CG-CG1 3.89Å; E63-M315 HydrophobicContact CB-CE 4.2Å; E63-M315 HydrophobicContact CG-CE 3.94Å; E63-M315 HydrophobicContact CG-CG 4.33Å; E63-M315 HydrophobicContact CG-SD 4.19Å
64	G	96.3	Very high	97.4	Very high	69 Å²	69	64.3 Å²	64.3	71%	0.711	33%	0.332	S	S	*	.	S	Bend	trans	77.7	10	-173.6	0	0	0	0	0	113.9	T61 P62	T61-G64 PolarHBondContact O-N 3.25Å; P62-G64 PolarHBondContact O-N 2.95Å
65	I	97.3	Very high	97.3	Very high	10 Å²	10	64.6 Å²	64.6	5%	0.051	33%	0.333	C	S	.	.			trans	-90	138.1	175.3	-64.6	176.9	0	0	0	109.3	T61 E63 I67 I272 M315 L432 D435 V436	T61-I65 PolarHBondContact N-O 3.1Å; T61-I65 PolarHBondContact OG1-O 2.9Å; E63-I65 VanDerWaalsContact C-N 3.26Å; E63-I65 HydrophobicContact CB-CG1 4.38Å; E63-I65 PolarHBondContact O-N 3.3Å; I65-I67 HydrophobicContact CG2-CG1 4.31Å; I65-I272 HydrophobicContact CD1-CD1 3.83Å; I65-I272 HydrophobicContact CD1-CG1 4.44Å; I65-M315 HydrophobicContact CB-CE 4.39Å; I65-M315 HydrophobicContact CD1-CE 4.17Å; I65-M315 HydrophobicContact CD1-SD 4.4Å; I65-L432 HydrophobicContact CD1-CD1 4.46Å; I65-L432 HydrophobicContact CG2-CD1 3.86Å; I65-D435 HydrophobicContact CD1-CB 4.09Å; I65-D435 HydrophobicContact CG1-CB 4.45Å; I65-D435 HydrophobicContact CG2-CB 4.05Å; I65-V436 HydrophobicContact CD1-CB 4.45Å; I65-V436 HydrophobicContact CD1-CG2 3.66Å
66	S	97.8	Very high	97.3	Very high	41 Å²	41	60.2 Å²	60.2	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.7	173.8	-69.3	0	0	0	0	110.1
67	I	98	Very high	97.1	Very high	13 Å²	13	61.1 Å²	61.1	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.6	175.6	-59.9	-179.1	0	0	0	108.9	W59 T61 I65 Y71 M315 L432	W59-I67 HydrophobicContact CB-CB 4.39Å; W59-I67 HydrophobicContact CE3-CB 4.27Å; W59-I67 HydrophobicContact CE3-CD1 3.82Å; W59-I67 HydrophobicContact CZ3-CD1 3.91Å; W59-I67 PolarHBondContact N-O 3.38Å; W59-I67 PolarHBondContact O-N 3.42Å; T61-I67 HydrophobicContact CG2-CD1 3.68Å; T61-I67 HydrophobicContact CG2-CG1 3.87Å; I65-I67 HydrophobicContact CG2-CG1 4.31Å; I67-Y71 HydrophobicContact CG2-CE2 4.12Å; I67-M315 HydrophobicContact CD1-CE 4.42Å; I67-L432 HydrophobicContact CD1-CD1 3.99Å; I67-L432 HydrophobicContact CD1-CD2 4.09Å; I67-L432 HydrophobicContact CG1-CD1 4.08Å
68	K	98.2	Very high	96.8	Very high	22 Å²	22	64.9 Å²	64.9	10%	0.096	34%	0.337	C	S	.	.			trans	-71.4	146.1	178.5	-60.6	-170.9	-61.5	-174.8	0	110.8	Q35 P36 L37 L70 Y71 D75	Q35-K68 PolarHBondContact O-NZ 3.09Å; P36-K68 PolarHBondContact O-NZ 3.17Å; L37-K68 HydrophobicContact CD2-CB 4.17Å; L37-K68 HydrophobicContact CD2-CD 4.18Å; L37-K68 HydrophobicContact CD2-CG 4.27Å; K68-L70 WeakPolarHBondContact CB-O 3.09Å; K68-L70 PolarHBondContact O-N 3.49Å; K68-Y71 HydrophobicContact CB-CD2 4.15Å; K68-Y71 HydrophobicContact CB-CE1 4.43Å; K68-Y71 HydrophobicContact CB-CE2 3.66Å; K68-Y71 HydrophobicContact CG-CE1 4.49Å; K68-Y71 HydrophobicContact CG-CE2 4.46Å; K68-Y71 PolarHBondContact N-OH 3.36Å; K68-Y71 VanDerWaalsContact O-CE2 3.29Å; K68-Y71 WeakPolarHBondContact O-CE2 3.2Å; K68-D75 IonicContact NZ-OD1 3.84Å; K68-D75 PolarHBondContact NZ-OD1 3.44Å; K68-D75 IonicContact NZ-OD2 3.26Å
69	P	97.9	Very high	96.5	Very high	52 Å²	52	65.2 Å²	65.2	34%	0.338	34%	0.339	S	S	.	.	S	Bend	trans	-66.4	-17.1	173.6	29.2	-38.7	0	0	0	113.5	L37 W41 L57	L37-P69 HydrophobicContact CD2-CG 3.96Å; W41-P69 HydrophobicContact CH2-CB 3.76Å; W41-P69 HydrophobicContact CH2-CG 3.28Å; W41-P69 HydrophobicContact CZ2-CB 4.18Å; W41-P69 HydrophobicContact CZ2-CG 4.15Å; W41-P69 HydrophobicContact CZ3-CG 3.77Å; L57-P69 HydrophobicContact CB-CB 3.95Å; L57-P69 HydrophobicContact CB-CG 3.97Å
70	L	98.3	Very high	96.4	Very high	69 Å²	69	63.5 Å²	63.5	36%	0.361	34%	0.343	S	S	.	.			trans	-147.5	138.3	173.3	-174.9	76.8	0	0	0	110.7	W41 K68	W41-L70 HydrophobicContact CB-CD2 3.7Å; W41-L70 HydrophobicContact CD2-CB 3.95Å; W41-L70 HydrophobicContact CD2-CD2 3.79Å; W41-L70 HydrophobicContact CD2-CG 4.49Å; W41-L70 HydrophobicContact CE3-CB 4.36Å; W41-L70 HydrophobicContact CG-CB 4.38Å; W41-L70 HydrophobicContact CG-CD2 3.29Å; W41-L70 HydrophobicContact CG-CG 4.4Å; W41-L70 HydrophobicContact CZ2-CB 4.16Å; K68-L70 WeakPolarHBondContact CB-O 3.09Å; K68-L70 PolarHBondContact O-N 3.49Å
71	Y	98.2	Very high	96.4	Very high	23 Å²	23	62.7 Å²	62.7	9%	0.09	35%	0.348	C	S	.	.			trans	-118.6	154.8	167.2	-67.3	-103.7	0	0	0	109.9	I67 K68 D75 M428 S431	I67-Y71 HydrophobicContact CG2-CE2 4.12Å; K68-Y71 HydrophobicContact CB-CD2 4.15Å; K68-Y71 HydrophobicContact CB-CE1 4.43Å; K68-Y71 HydrophobicContact CB-CE2 3.66Å; K68-Y71 HydrophobicContact CG-CE1 4.49Å; K68-Y71 HydrophobicContact CG-CE2 4.46Å; K68-Y71 PolarHBondContact N-OH 3.36Å; K68-Y71 VanDerWaalsContact O-CE2 3.29Å; K68-Y71 WeakPolarHBondContact O-CE2 3.2Å; Y71-D75 HydrophobicContact CD1-CB 4.18Å; Y71-M428 HydrophobicContact CD2-CB 3.44Å; Y71-M428 VanDerWaalsContact CD2-CB 3.44Å; Y71-M428 HydrophobicContact CD2-CG 3.52Å; Y71-M428 HydrophobicContact CE2-CB 3.93Å; Y71-M428 HydrophobicContact CE2-CG 3.47Å; Y71-M428 VanDerWaalsContact CE2-CG 3.47Å; Y71-M428 HydrophobicContact CG-CB 3.79Å; Y71-M428 HydrophobicContact CG-CG 4.29Å; Y71-S431 VanDerWaalsContact CE1-CB 3.47Å
72	S	97.5	Very high	96.4	Very high	20 Å²	20	63.5 Å²	63.5	14%	0.14	35%	0.351	C	S	.	.			trans	-140.1	177	-171.7	72.8	0	0	0	0	111.3	A74 D75 Y427	S72-A74 PolarHBondContact O-N 3.47Å; S72-A74 VanDerWaalsContact O-N 3.16Å; S72-A74 PolarHBondContact OG-N 2.9Å; S72-D75 WeakPolarHBondContact CA-OD2 3.41Å; S72-D75 PolarHBondContact N-OD2 3.01Å; S72-D75 WeakPolarHBondContact O-CB 3.23Å; S72-D75 PolarHBondContact O-N 3.14Å; S72-D75 PolarHBondContact OG-OD2 2.87Å; S72-Y427 VanDerWaalsContact C-CD2 3.4Å; S72-Y427 VanDerWaalsContact C-CG 3.42Å; S72-Y427 VanDerWaalsContact CA-CD2 3.46Å; S72-Y427 WeakPolarHBondContact O-CB 3.48Å; S72-Y427 WeakPolarHBondContact O-CD1 3.41Å; S72-Y427 VanDerWaalsContact O-CG 3.28Å
73	R	97	Very high	96.5	Very high	186 Å²	186	64.9 Å²	64.9	70%	0.702	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-55.3	-32.7	175.2	-173.5	178.6	-179.1	-176	1.4	113.1	D75 T76 M77 Y427	R73-D75 PolarHBondContact O-N 3.28Å; R73-T76 PolarHBondContact O-N 3.31Å; R73-T76 PolarHBondContact O-OG1 3.2Å; R73-M77 VanDerWaalsContact O-CG 3.32Å; R73-M77 WeakPolarHBondContact O-CG 3.49Å; R73-M77 PolarHBondContact O-N 3.25Å; R73-Y427 HydrophobicContact CB-CE1 4.17Å
74	A	95	Very high	96.5	Very high	49 Å²	49	64.3 Å²	64.3	41%	0.405	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-60.8	-26.5	179.8	0	0	0	0	0	112.8	S72 T76	S72-A74 PolarHBondContact O-N 3.47Å; S72-A74 VanDerWaalsContact O-N 3.16Å; S72-A74 PolarHBondContact OG-N 2.9Å; A74-T76 VanDerWaalsContact C-N 3.29Å; A74-T76 PolarHBondContact O-N 3.38Å
75	D	95.9	Very high	96.6	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.07	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-77	-14.2	-177.1	-60	-75.2	0	0	0	113.5	Q35 K68 Y71 S72 R73	Q35-D75 WeakPolarHBondContact CB-OD1 3.33Å; K68-D75 IonicContact NZ-OD1 3.84Å; K68-D75 PolarHBondContact NZ-OD1 3.44Å; K68-D75 IonicContact NZ-OD2 3.26Å; Y71-D75 HydrophobicContact CD1-CB 4.18Å; S72-D75 WeakPolarHBondContact CA-OD2 3.41Å; S72-D75 PolarHBondContact N-OD2 3.01Å; S72-D75 WeakPolarHBondContact O-CB 3.23Å; S72-D75 PolarHBondContact O-N 3.14Å; S72-D75 PolarHBondContact OG-OD2 2.87Å; R73-D75 PolarHBondContact O-N 3.28Å
76	T	95.4	Very high	96.7	Very high	23 Å²	23	65.6 Å²	65.6	14%	0.141	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-132.3	14.4	-171.8	51.7	0	0	0	0	114	R73 A74 D78 L79 Y427 E430	R73-T76 PolarHBondContact O-N 3.31Å; R73-T76 PolarHBondContact O-OG1 3.2Å; A74-T76 VanDerWaalsContact C-N 3.29Å; A74-T76 PolarHBondContact O-N 3.38Å; T76-D78 PolarHBondContact O-N 2.96Å; T76-L79 VanDerWaalsContact O-CB 3.3Å; T76-L79 WeakPolarHBondContact O-CB 3.44Å; T76-L79 PolarHBondContact O-N 3.31Å; T76-L79 VanDerWaalsContact O-N 3.13Å; T76-Y427 HydrophobicContact CG2-CD1 4.3Å; T76-Y427 VanDerWaalsContact OG1-CD1 3.27Å; T76-Y427 WeakPolarHBondContact OG1-CD1 3.23Å; T76-E430 HydrophobicContact CG2-CB 3.94Å
77	M	93.3	Very high	96.7	Very high	141 Å²	141	67.9 Å²	67.9	70%	0.695	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-32	-177	-67.8	-146.8	-51.7	0	0	113.9	R73	R73-M77 VanDerWaalsContact O-CG 3.32Å; R73-M77 WeakPolarHBondContact O-CG 3.49Å; R73-M77 PolarHBondContact O-N 3.25Å
78	D	91.4	Very high	96.7	Very high	160 Å²	160	68.2 Å²	68.2	86%	0.856	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	9.4	-178.5	-61	-42.5	0	0	0	112.9	T76	T76-D78 PolarHBondContact O-N 2.96Å
79	L	92.3	Very high	96.7	Very high	50 Å²	50	67.7 Å²	67.7	26%	0.262	36%	0.358	S	S	.	.			trans	-70.7	129	-178.3	-155.9	91.1	0	0	0	110.5	T76 E430	T76-L79 VanDerWaalsContact O-CB 3.3Å; T76-L79 WeakPolarHBondContact O-CB 3.44Å; T76-L79 PolarHBondContact O-N 3.31Å; T76-L79 VanDerWaalsContact O-N 3.13Å; L79-E430 HydrophobicContact CD1-CB 3.83Å; L79-E430 HydrophobicContact CD1-CG 4.37Å; L79-E430 HydrophobicContact CD2-CB 4.07Å; L79-E430 HydrophobicContact CD2-CG 3.67Å
80	P	94.3	Very high	96.8	Very high	81 Å²	81	65.2 Å²	65.2	53%	0.526	34%	0.342	S	S	.	.			trans	-66.9	151.9	174.1	27.4	-34.8	0	0	0	111.9	E82	P80-E82 HydrophobicContact CG-CG 4.27Å; P80-E82 PolarHBondContact O-N 3.45Å; P80-E82 VanDerWaalsContact O-N 3.11Å
81	E	97.5	Very high	96.8	Very high	187 Å²	187	64.8 Å²	64.8	87%	0.874	34%	0.336	S	S	*	.			trans	-74.7	98.4	169	-173.6	176.7	-161.1	0	0	109.6
82	E	98.3	Very high	96.8	Very high	26 Å²	26	63.7 Å²	63.7	12%	0.121	33%	0.332	C	S	.	.			trans	-97	148.2	175.2	-68.9	-166.4	-134.5	0	0	112.2	P80 P88 T90 R91 R325	P80-E82 HydrophobicContact CG-CG 4.27Å; P80-E82 PolarHBondContact O-N 3.45Å; P80-E82 VanDerWaalsContact O-N 3.11Å; E82-P88 WeakPolarHBondContact OE2-CD 3.36Å; E82-P88 WeakPolarHBondContact OE2-CG 3.4Å; E82-T90 PolarHBondContact OE1-OG1 3.07Å; E82-T90 VanDerWaalsContact OE1-OG1 3.1Å; E82-T90 WeakPolarHBondContact OE2-CB 3.46Å; E82-T90 PolarHBondContact OE2-N 3.09Å; E82-T90 PolarHBondContact OE2-OG1 2.96Å; E82-R91 HydrophobicContact CB-CG 4.11Å; E82-R91 WeakPolarHBondContact O-CD 3.43Å; E82-R325 IonicContact OE1-CZ 2.94Å; E82-R325 IonicContact OE1-NE 3.6Å; E82-R325 PolarHBondContact OE1-NE 3.29Å; E82-R325 IonicContact OE1-NH2 3.94Å; E82-R325 PolarHBondContact OE1-NH2 3.31Å
83	L	98.7	Very high	96.8	Very high	94 Å²	94	62.9 Å²	62.9	49%	0.492	33%	0.326	S	S	.	.			trans	-125	144.1	177.1	-63.4	174.8	0	0	0	110.8	V86	L83-V86 HydrophobicContact CB-CB 4.27Å; L83-V86 HydrophobicContact CB-CG2 3.96Å; L83-V86 PolarHBondContact O-N 3.22Å
84	P	98.7	Very high	96.9	Very high	22 Å²	22	58.8 Å²	58.8	14%	0.143	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	142.4	171.7	27.9	-35.3	0	0	0	110.5	V86 R91 P95 M97 A420	P84-V86 PolarHBondContact O-N 2.96Å; P84-R91 HydrophobicContact CB-CB 4.2Å; P84-P95 WeakPolarHBondContact CG-O 3.46Å; P84-P95 WeakPolarHBondContact O-CA 3.36Å; P84-M97 HydrophobicContact CB-CG 4.24Å; P84-A420 HydrophobicContact CG-CB 4.23Å
85	G	98.1	Very high	97.1	Very high	25 Å²	25	60.8 Å²	60.8	26%	0.258	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	2.6	-175.8	0	0	0	0	0	115.3	F89 G92	G85-F89 WeakPolarHBondContact O-CE1 3.48Å; G85-G92 PolarHBondContact N-O 2.95Å
86	V	98.5	Very high	97.2	Very high	80 Å²	80	63.8 Å²	63.8	49%	0.485	34%	0.339	S	S	.	.	S	Bend	trans	-114.9	136.9	173.6	-176	0	0	0	0	109.1	L83 P84 F89	L83-V86 HydrophobicContact CB-CB 4.27Å; L83-V86 HydrophobicContact CB-CG2 3.96Å; L83-V86 PolarHBondContact O-N 3.22Å; P84-V86 PolarHBondContact O-N 2.96Å; V86-F89 VanDerWaalsContact C-CD1 3.5Å; V86-F89 VanDerWaalsContact O-CA 3.32Å; V86-F89 WeakPolarHBondContact O-CA 3.26Å; V86-F89 WeakPolarHBondContact O-CD1 3.39Å; V86-F89 PolarHBondContact O-N 3.46Å
87	K	97.9	Very high	97.4	Very high	90 Å²	90	63.4 Å²	63.4	39%	0.391	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	133.7	175.7	177.1	-165	162.8	-164.7	0	109.9	F89 E332 L343	K87-F89 HydrophobicContact CB-CD2 4.44Å; K87-F89 HydrophobicContact CB-CE2 3.84Å; K87-F89 HydrophobicContact CB-CZ 3.97Å; K87-F89 HydrophobicContact CG-CE2 4.33Å; K87-E332 WeakPolarHBondContact CE-OE1 3.43Å; K87-E332 VanDerWaalsContact CE-OE2 3.28Å; K87-E332 WeakPolarHBondContact CE-OE2 3.44Å; K87-E332 IonicContact NZ-OE1 2.81Å; K87-E332 PolarHBondContact NZ-OE1 3.14Å; K87-E332 IonicContact NZ-OE2 2.78Å; K87-E332 PolarHBondContact NZ-OE2 3.46Å; K87-L343 HydrophobicContact CD-CD1 4.19Å; K87-L343 HydrophobicContact CG-CD1 4.48Å
88	P	98.3	Very high	97.6	Very high	20 Å²	20	57.8 Å²	57.8	13%	0.13	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.2	20.8	12.8	38.5	-37.4	0	0	0	115.3	E82 T90 R325 A328	E82-P88 WeakPolarHBondContact OE2-CD 3.36Å; E82-P88 WeakPolarHBondContact OE2-CG 3.4Å; P88-T90 PolarHBondContact O-N 3.32Å; P88-R325 HydrophobicContact CB-CB 4.49Å; P88-R325 HydrophobicContact CB-CG 3.94Å; P88-R325 HydrophobicContact CG-CG 3.91Å; P88-R325 WeakPolarHBondContact O-CA 3.34Å; P88-A328 HydrophobicContact CB-CB 4.36Å
89	F	98.7	Very high	98	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.044	29%	0.285	C	S	.	.			trans	63.7	19.9	171.6	-44.4	-77.5	0	0	0	115.4	G85 V86 K87 R91 G92 R324 A328 L343 L344	G85-F89 WeakPolarHBondContact O-CE1 3.48Å; V86-F89 VanDerWaalsContact C-CD1 3.5Å; V86-F89 VanDerWaalsContact O-CA 3.32Å; V86-F89 WeakPolarHBondContact O-CA 3.26Å; V86-F89 WeakPolarHBondContact O-CD1 3.39Å; V86-F89 PolarHBondContact O-N 3.46Å; K87-F89 HydrophobicContact CB-CD2 4.44Å; K87-F89 HydrophobicContact CB-CE2 3.84Å; K87-F89 HydrophobicContact CB-CZ 3.97Å; K87-F89 HydrophobicContact CG-CE2 4.33Å; F89-R91 PolarHBondContact O-N 2.91Å; F89-R91 VanDerWaalsContact O-N 3.16Å; F89-G92 PolarHBondContact O-N 3.49Å; F89-R324 WeakPolarHBondContact O-CB 3.23Å; F89-R324 WeakPolarHBondContact O-CD 3.02Å; F89-R324 PolarHBondContact O-NE 3.18Å; F89-A328 HydrophobicContact CD2-CB 3.97Å; F89-A328 HydrophobicContact CE2-CB 4.37Å; F89-L343 HydrophobicContact CE2-CB 3.73Å; F89-L343 HydrophobicContact CE2-CD1 4.48Å; F89-L344 HydrophobicContact CD1-CD2 3.61Å; F89-L344 HydrophobicContact CD2-CD2 4.07Å; F89-L344 HydrophobicContact CE1-CD2 3.49Å; F89-L344 VanDerWaalsContact CE1-CD2 3.49Å; F89-L344 HydrophobicContact CE2-CD2 3.99Å; F89-L344 HydrophobicContact CG-CD2 3.9Å; F89-L344 HydrophobicContact CZ-CD2 3.69Å
90	T	98.8	Very high	98.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-43.4	177.7	-48.4	0	0	0	0	110.8	E82 P88 G92 R321 R324 R325 T433	E82-T90 PolarHBondContact OE1-OG1 3.07Å; E82-T90 VanDerWaalsContact OE1-OG1 3.1Å; E82-T90 WeakPolarHBondContact OE2-CB 3.46Å; E82-T90 PolarHBondContact OE2-N 3.09Å; E82-T90 PolarHBondContact OE2-OG1 2.96Å; P88-T90 PolarHBondContact O-N 3.32Å; T90-G92 VanDerWaalsContact C-N 3.28Å; T90-G92 PolarHBondContact O-N 3.44Å; T90-R321 HydrophobicContact CG2-CB 3.91Å; T90-R324 PolarHBondContact O-NE 3.21Å; T90-R324 VanDerWaalsContact O-NE 3.15Å; T90-R324 PolarHBondContact O-NH2 3.36Å; T90-R325 PolarHBondContact OG1-NE 3.2Å; T90-R325 PolarHBondContact OG1-NH2 3.42Å; T90-T433 HydrophobicContact CG2-CG2 3.99Å
91	R	98.8	Very high	98.3	Very high	59 Å²	59	64 Å²	64	22%	0.223	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.6	-178.3	-52.5	-161	72	-177.2	-1.8	114.8	E82 P84 F89 D421	E82-R91 HydrophobicContact CB-CG 4.11Å; E82-R91 WeakPolarHBondContact O-CD 3.43Å; P84-R91 HydrophobicContact CB-CB 4.2Å; F89-R91 PolarHBondContact O-N 2.91Å; F89-R91 VanDerWaalsContact O-N 3.16Å; R91-D421 HydrophobicContact CB-CB 3.87Å; R91-D421 WeakPolarHBondContact CB-OD2 3.37Å; R91-D421 VanDerWaalsContact CG-OD2 3.23Å; R91-D421 WeakPolarHBondContact CG-OD2 3.43Å; R91-D421 IonicContact CZ-OD2 2.85Å; R91-D421 IonicContact NE-OD2 2.63Å; R91-D421 PolarHBondContact NE-OD2 3.13Å; R91-D421 PolarHBondContact NH2-O 2.95Å; R91-D421 IonicContact NH2-OD2 2.86Å; R91-D421 WeakPolarHBondContact O-CB 3.47Å
92	G	98.6	Very high	98.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.			trans	132.6	153.4	175.4	0	0	0	0	0	113.4	G85 F89 T90 Y94	G85-G92 PolarHBondContact N-O 2.95Å; F89-G92 PolarHBondContact O-N 3.49Å; T90-G92 VanDerWaalsContact C-N 3.28Å; T90-G92 PolarHBondContact O-N 3.44Å; G92-Y94 VanDerWaalsContact C-N 3.31Å; G92-Y94 PolarHBondContact O-N 3.25Å
93	P	98.3	Very high	98.2	Very high	4 Å²	4	56 Å²	56	3%	0.026	28%	0.279	C	S	.	.	S	Bend	trans	-74.5	-16.1	-175.7	28.6	-34.6	0	0	0	114.2	M97 L344	P93-M97 HydrophobicContact CG-SD 4.45Å; P93-L344 HydrophobicContact CB-CD2 3.99Å
94	Y	98.5	Very high	98	Very high	99 Å²	99	52.9 Å²	52.9	39%	0.388	26%	0.264	S	S	.	.	S	Bend	trans	-128.3	142.8	-175.2	-54.8	-61.3	0	0	0	111.8	G92 T96 M97 R346 Q381	G92-Y94 VanDerWaalsContact C-N 3.31Å; G92-Y94 PolarHBondContact O-N 3.25Å; Y94-T96 PolarHBondContact O-N 3.25Å; Y94-M97 WeakPolarHBondContact O-CG 3.42Å; Y94-M97 PolarHBondContact O-N 2.81Å; Y94-M97 VanDerWaalsContact O-SD 3.35Å; Y94-R346 VanDerWaalsContact OH-CD 3.27Å; Y94-R346 WeakPolarHBondContact OH-CD 3.49Å; Y94-Q381 HydrophobicContact CE2-CG 3.89Å
95	P	98.6	Very high	97.7	Very high	91 Å²	91	52.4 Å²	52.4	59%	0.591	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-45	-175	-26	34.2	0	0	0	114.5	P84	P84-P95 WeakPolarHBondContact CG-O 3.46Å; P84-P95 WeakPolarHBondContact O-CA 3.36Å
96	T	98.6	Very high	97.3	Very high	76 Å²	76	52.6 Å²	52.6	47%	0.466	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-12.5	-175.3	55.9	0	0	0	0	113.1	Y94 Y98 T99	Y94-T96 PolarHBondContact O-N 3.25Å; T96-Y98 PolarHBondContact O-N 2.98Å; T96-Y98 VanDerWaalsContact O-N 3.11Å; T96-T99 WeakPolarHBondContact CB-OG1 3.41Å; T96-T99 WeakPolarHBondContact O-CB 3.37Å; T96-T99 WeakPolarHBondContact O-CG2 3.33Å; T96-T99 PolarHBondContact O-N 3.44Å; T96-T99 PolarHBondContact O-OG1 3.44Å
97	M	98.7	Very high	96.7	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.079	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.2	-119.6	-167.7	-67.4	-58.5	-67.4	0	0	111	P84 P93 Y94 A420	P84-M97 HydrophobicContact CB-CG 4.24Å; P93-M97 HydrophobicContact CG-SD 4.45Å; Y94-M97 WeakPolarHBondContact O-CG 3.42Å; Y94-M97 PolarHBondContact O-N 2.81Å; Y94-M97 VanDerWaalsContact O-SD 3.35Å; M97-A420 HydrophobicContact CB-CB 3.99Å; M97-A420 HydrophobicContact CG-CB 4.12Å
98	Y	98.8	Very high	95.3	Very high	22 Å²	22	47.6 Å²	47.6	9%	0.086	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-5.8	-175.2	-47.1	-43.8	0	0	0	115.6	T96 Y100 R101 W103 V376 G379 T380 P417	T96-Y98 PolarHBondContact O-N 2.98Å; T96-Y98 VanDerWaalsContact O-N 3.11Å; Y98-Y100 PolarHBondContact O-N 3.13Å; Y98-Y100 VanDerWaalsContact O-N 3.11Å; Y98-R101 WeakPolarHBondContact CA-O 3.5Å; Y98-W103 HydrophobicContact CD1-CB 4.49Å; Y98-W103 HydrophobicContact CD1-CE3 4.32Å; Y98-W103 HydrophobicContact CD2-CE3 4.32Å; Y98-W103 HydrophobicContact CE1-CB 3.89Å; Y98-W103 HydrophobicContact CE1-CE3 4.21Å; Y98-W103 HydrophobicContact CE2-CE3 4.21Å; Y98-W103 HydrophobicContact CG-CE3 4.36Å; Y98-V376 HydrophobicContact CD2-CG1 4.34Å; Y98-V376 HydrophobicContact CE2-CG1 3.85Å; Y98-V376 VanDerWaalsContact CE2-O 3.3Å; Y98-V376 WeakPolarHBondContact CE2-O 3.26Å; Y98-V376 PolarHBondContact OH-O 3.32Å; Y98-G379 WeakPolarHBondContact OH-CA 3.45Å; Y98-T380 VanDerWaalsContact CE1-O 3.23Å; Y98-T380 WeakPolarHBondContact CE1-O 3.33Å; Y98-T380 PolarHBondContact OH-N 3.13Å; Y98-T380 PolarHBondContact OH-O 3.04Å; Y98-P417 CarbonylContact C-O 3.59Å
99	T	98.6	Very high	93.8	Very high	63 Å²	63	47.1 Å²	47.1	39%	0.387	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.2	-171.1	60.8	0	0	0	0	112.9	T96 P417	T96-T99 WeakPolarHBondContact CB-OG1 3.41Å; T96-T99 WeakPolarHBondContact O-CB 3.37Å; T96-T99 WeakPolarHBondContact O-CG2 3.33Å; T96-T99 PolarHBondContact O-N 3.44Å; T96-T99 PolarHBondContact O-OG1 3.44Å; T99-P417 WeakPolarHBondContact CA-O 3.41Å; T99-P417 PolarHBondContact N-O 3.17Å
100	Y	97.7	Very high	92.1	Very high	208 Å²	208	47.4 Å²	47.4	82%	0.816	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-51.6	173.4	-179.4	-110.6	0	0	0	112.8	Y98	Y98-Y100 PolarHBondContact O-N 3.13Å; Y98-Y100 VanDerWaalsContact O-N 3.11Å
101	R	95.8	Very high	90.9	Very high	151 Å²	151	49.3 Å²	49.3	57%	0.57	24%	0.236	S	C	*	.	S	Bend	trans	-131.6	124.5	179.9	-175.1	-178.4	177.3	174.3	1.6	109.4	Y98	Y98-R101 WeakPolarHBondContact CA-O 3.5Å
102	P	97.6	Very high	89.9	Confident	41 Å²	41	47 Å²	47	27%	0.266	23%	0.228	S	C	.	.			trans	-70.1	176.4	180	32	-36.5	0	0	0	112	Q411	P102-Q411 HydrophobicContact CB-CG 3.97Å; P102-Q411 HydrophobicContact CG-CG 4.31Å
103	W	97.1	Very high	89.4	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.015	23%	0.234	C	C	.	.			trans	-58.8	158.5	170.2	70.4	92.1	0	0	0	110.9	Y98 V376 T380 Q407 I410 Q411 P417	Y98-W103 HydrophobicContact CD1-CB 4.49Å; Y98-W103 HydrophobicContact CD1-CE3 4.32Å; Y98-W103 HydrophobicContact CD2-CE3 4.32Å; Y98-W103 HydrophobicContact CE1-CB 3.89Å; Y98-W103 HydrophobicContact CE1-CE3 4.21Å; Y98-W103 HydrophobicContact CE2-CE3 4.21Å; Y98-W103 HydrophobicContact CG-CE3 4.36Å; W103-V376 HydrophobicContact CD2-CG2 4.02Å; W103-V376 HydrophobicContact CE3-CG1 4.1Å; W103-V376 HydrophobicContact CE3-CG2 3.8Å; W103-V376 HydrophobicContact CH2-CB 4.44Å; W103-V376 HydrophobicContact CH2-CG1 4.1Å; W103-V376 HydrophobicContact CH2-CG2 3.41Å; W103-V376 VanDerWaalsContact CH2-CG2 3.41Å; W103-V376 HydrophobicContact CZ2-CG2 3.6Å; W103-V376 HydrophobicContact CZ3-CB 4.21Å; W103-V376 HydrophobicContact CZ3-CG1 3.56Å; W103-V376 HydrophobicContact CZ3-CG2 3.5Å; W103-T380 HydrophobicContact CB-CG2 4.26Å; W103-T380 HydrophobicContact CG-CG2 4.35Å; W103-Q407 HydrophobicContact CZ2-CB 4.23Å; W103-I410 HydrophobicContact CH2-CB 3.98Å; W103-I410 HydrophobicContact CH2-CG2 3.63Å; W103-I410 HydrophobicContact CZ2-CB 4.41Å; W103-I410 HydrophobicContact CZ2-CG2 4.42Å; W103-I410 HydrophobicContact CZ3-CG2 4.45Å; W103-Q411 HydrophobicContact CE3-CG 4.45Å; W103-Q411 HydrophobicContact CH2-CB 4.4Å; W103-Q411 HydrophobicContact CH2-CG 3.32Å; W103-Q411 HydrophobicContact CZ2-CG 3.48Å; W103-Q411 VanDerWaalsContact CZ2-CG 3.48Å; W103-Q411 HydrophobicContact CZ3-CG 3.87Å; W103-Q411 PolarHBondContact O-NE2 3.01Å; W103-Q411 VanDerWaalsContact O-NE2 3.1Å; W103-P417 HydrophobicContact CZ3-CG 4.22Å
104	T	93.3	Very high	89.1	Confident	28 Å²	28	47.8 Å²	47.8	17%	0.172	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.5	177.8	-50.9	0	0	0	0	110.1	R106 Q130 Q381 S382 L383	T104-R106 HydrophobicContact CG2-CG 3.74Å; T104-R106 PolarHBondContact O-N 3.39Å; T104-Q130 HydrophobicContact CG2-CB 4.06Å; T104-Q381 PolarHBondContact N-O 2.96Å; T104-S382 WeakPolarHBondContact O-CA 3.44Å; T104-S382 WeakPolarHBondContact O-CB 3.33Å; T104-L383 PolarHBondContact O-N 3.11Å; T104-L383 VanDerWaalsContact O-N 3.07Å
105	I	92.6	Very high	88.9	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.062	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	112.3	168.2	-57.3	-179.6	0	0	0	107.9	Q107 R404 Q407 I408	I105-Q107 HydrophobicContact CG2-CG 4.47Å; I105-R404 HydrophobicContact CG2-CG 4.27Å; I105-Q407 HydrophobicContact CD1-CB 3.98Å; I105-Q407 HydrophobicContact CG1-CB 4.04Å; I105-I408 HydrophobicContact CD1-CG1 3.65Å
106	R	89.8	Confident	88.5	Confident	29 Å²	29	47.5 Å²	47.5	11%	0.109	23%	0.228	C	C	.	.			trans	-127	87.5	179.4	-73.2	-160.4	176.8	-171.7	-3.7	109.8	T104 S181 L383 H384	T104-R106 HydrophobicContact CG2-CG 3.74Å; T104-R106 PolarHBondContact O-N 3.39Å; R106-S181 PolarHBondContact NH2-OG 3.46Å; R106-L383 CarbonylContact C-O 3.49Å; R106-L383 PolarHBondContact N-O 3.31Å; R106-H384 WeakPolarHBondContact O-CA 3.32Å; R106-H384 WeakPolarHBondContact O-CB 3.46Å
107	Q	86.6	Confident	88.1	Confident	11 Å²	11	43.9 Å²	43.9	5%	0.051	21%	0.205	C	C	.	.			trans	-73.9	130.4	172.2	-68.2	-56.1	99.7	0	0	109.8	I105 A109 Q129 S133 T385 R404	I105-Q107 HydrophobicContact CG2-CG 4.47Å; Q107-A109 PolarHBondContact O-N 2.91Å; Q107-Q129 PolarHBondContact O-NE2 2.96Å; Q107-S133 WeakPolarHBondContact O-CB 3.44Å; Q107-T385 PolarHBondContact NE2-O 2.93Å; Q107-T385 PolarHBondContact OE1-OG1 2.71Å; Q107-T385 VanDerWaalsContact OE1-OG1 3.13Å; Q107-R404 HydrophobicContact CG-CB 4.47Å
108	Y	67.9	Low	87.9	Confident	54 Å²	54	43.8 Å²	43.8	21%	0.212	21%	0.205	C	C	.	.			trans	-79.5	113.3	173.2	-151.7	-90.3	0	0	0	108.5	A135 T185 H384	Y108-A135 HydrophobicContact CD1-CB 3.78Å; Y108-A135 HydrophobicContact CE1-CB 3.4Å; Y108-T185 HydrophobicContact CD2-CG2 4.44Å; Y108-T185 HydrophobicContact CE2-CG2 3.22Å; Y108-T185 WeakPolarHBondContact CE2-OG1 3.25Å; Y108-T185 WeakPolarHBondContact OH-CB 3.2Å; Y108-T185 WeakPolarHBondContact OH-CG2 3.36Å; Y108-T185 PolarHBondContact OH-OG1 3.22Å; Y108-H384 WeakPolarHBondContact CB-CE1 3.29Å; Y108-H384 VanDerWaalsContact CB-ND1 3.27Å; Y108-H384 WeakPolarHBondContact CB-ND1 3.31Å
109	A	67.1	Low	87.5	Confident	10 Å²	10	49.2 Å²	49.2	8%	0.083	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-138.3	129.9	-174	0	0	0	0	0	111.1	Q107 F120 Y121	Q107-A109 PolarHBondContact O-N 2.91Å; A109-F120 HydrophobicContact CB-CD1 3.73Å; A109-F120 HydrophobicContact CB-CE1 3.21Å; A109-F120 HydrophobicContact CB-CZ 4.21Å; A109-Y121 HydrophobicContact CB-CE1 4.14Å; A109-Y121 VanDerWaalsContact O-CE1 3.32Å; A109-Y121 WeakPolarHBondContact O-CE1 3.49Å; A109-Y121 PolarHBondContact O-OH 3.22Å
110	G	63.2	Low	86.9	Confident	16 Å²	16	47.7 Å²	47.7	17%	0.165	22%	0.217	C	C	.	.			trans	-150.9	135	167	0	0	0	0	0	107.2
111	F	73.1	Confident	86.5	Confident	42 Å²	42	37.8 Å²	37.8	18%	0.184	18%	0.178	C	C	.	.			trans	-97.2	172.8	163.8	-72.4	-95.8	0	0	0	108.3	T113 E116 S117 F120 G159 V160 L501	F111-T113 PolarHBondContact O-N 3.42Å; F111-E116 HydrophobicContact CB-CB 3.72Å; F111-E116 HydrophobicContact CG-CB 4.16Å; F111-S117 PolarHBondContact N-OG 2.8Å; F111-S117 PolarHBondContact O-OG 2.95Å; F111-F120 HydrophobicContact CD2-CB 3.89Å; F111-F120 HydrophobicContact CD2-CD1 4.41Å; F111-F120 HydrophobicContact CD2-CD2 4.39Å; F111-F120 HydrophobicContact CD2-CG 4.01Å; F111-F120 HydrophobicContact CE2-CB 3.6Å; F111-F120 AromaticContact CE2-CD1 3.79Å; F111-F120 HydrophobicContact CE2-CD1 3.79Å; F111-F120 AromaticContact CE2-CD2 3.31Å; F111-F120 HydrophobicContact CE2-CD2 3.31Å; F111-F120 HydrophobicContact CE2-CE1 4.22Å; F111-F120 AromaticContact CE2-CE2 3.78Å; F111-F120 HydrophobicContact CE2-CE2 3.78Å; F111-F120 AromaticContact CE2-CG 3.28Å; F111-F120 HydrophobicContact CE2-CG 3.28Å; F111-F120 HydrophobicContact CE2-CZ 4.2Å; F111-F120 AromaticContact CZ-CD2 3.72Å; F111-F120 HydrophobicContact CZ-CD2 3.72Å; F111-F120 AromaticContact CZ-CE2 3.98Å; F111-F120 HydrophobicContact CZ-CE2 3.98Å; F111-F120 HydrophobicContact CZ-CG 4.17Å; F111-G159 CarbonylContact O-C 3.45Å; F111-V160 WeakPolarHBondContact O-CG1 3.44Å; F111-V160 PolarHBondContact O-N 3.37Å; F111-L501 HydrophobicContact CD1-CD2 4.25Å; F111-L501 HydrophobicContact CE1-CD2 4.17Å
112	S	78.6	Confident	86.3	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.063	16%	0.164	C	C	.	.	S	Bend	trans	-63.3	-21.9	-178.1	-56.4	0	0	0	0	114.5	G156 I503	S112-G156 VanDerWaalsContact CA-O 3.27Å; S112-G156 WeakPolarHBondContact CA-O 3.33Å; S112-G156 WeakPolarHBondContact CB-O 3.33Å; S112-G156 PolarHBondContact OG-O 2.94Å; S112-I503 WeakPolarHBondContact OG-CD1 3.24Å; S112-I503 WeakPolarHBondContact OG-CG1 3.18Å; S112-I503 WeakPolarHBondContact OG-CG2 3.39Å
113	T	87.6	Confident	85.8	Confident	20 Å²	20	35 Å²	35	12%	0.123	17%	0.17	C	C	.	.	S	Bend	trans	-123.7	153	179.8	69.2	0	0	0	0	112.3	F111 E115 E116 S117 V508	F111-T113 PolarHBondContact O-N 3.42Å; T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 PolarHBondContact O-N 3.36Å; T113-E116 WeakPolarHBondContact OG1-CB 3.38Å; T113-E116 VanDerWaalsContact OG1-CD 3.25Å; T113-E116 VanDerWaalsContact OG1-CG 3.23Å; T113-E116 WeakPolarHBondContact OG1-CG 3.26Å; T113-E116 PolarHBondContact OG1-N 3.36Å; T113-E116 PolarHBondContact OG1-OE2 3.08Å; T113-S117 WeakPolarHBondContact O-CB 3.15Å; T113-S117 PolarHBondContact O-N 3.11Å; T113-S117 PolarHBondContact O-OG 3.01Å; T113-V508 HydrophobicContact CG2-CG1 4.26Å; T113-V508 HydrophobicContact CG2-CG2 3.86Å
114	V	92.5	Very high	85	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-31.3	177.3	-68.2	0	0	0	0	112	N118 V160 I162 D167 I170 L171	V114-N118 VanDerWaalsContact O-CB 3.24Å; V114-N118 WeakPolarHBondContact O-CB 3.41Å; V114-N118 PolarHBondContact O-N 3.44Å; V114-V160 HydrophobicContact CG1-CB 4.13Å; V114-V160 HydrophobicContact CG1-CG1 4.38Å; V114-I162 HydrophobicContact CG1-CD1 3.63Å; V114-D167 HydrophobicContact CG1-CB 4.34Å; V114-I170 HydrophobicContact CB-CG2 4.26Å; V114-I170 HydrophobicContact CG2-CB 3.89Å; V114-I170 HydrophobicContact CG2-CG2 3.61Å; V114-L171 HydrophobicContact CB-CB 4.13Å; V114-L171 HydrophobicContact CB-CD1 4.23Å; V114-L171 HydrophobicContact CG1-CB 4.13Å; V114-L171 HydrophobicContact CG1-CD1 4.26Å
115	E	93.4	Very high	84.6	Confident	84 Å²	84	36.7 Å²	36.7	39%	0.393	18%	0.177	S	C	.	.	H	α-helix	trans	-68.3	-45.8	177.6	-64.1	81	179.1	0	0	112	T113 N118 K119 I170 K515	T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 PolarHBondContact O-N 3.36Å; E115-N118 PolarHBondContact O-N 3.47Å; E115-K119 PolarHBondContact O-N 3.03Å; E115-K119 VanDerWaalsContact O-N 3.09Å; E115-I170 HydrophobicContact CG-CG2 3.92Å; E115-K515 IonicContact OE1-NZ 3.51Å; E115-K515 PolarHBondContact OE1-NZ 2.94Å; E115-K515 IonicContact OE2-NZ 3.47Å
116	E	89.6	Confident	84.3	Confident	100 Å²	100	44.1 Å²	44.1	47%	0.467	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-42	176.5	-70.9	166.8	144.7	0	0	111.2	F111 T113 K119 F120	F111-E116 HydrophobicContact CB-CB 3.72Å; F111-E116 HydrophobicContact CG-CB 4.16Å; T113-E116 WeakPolarHBondContact OG1-CB 3.38Å; T113-E116 VanDerWaalsContact OG1-CD 3.25Å; T113-E116 VanDerWaalsContact OG1-CG 3.23Å; T113-E116 WeakPolarHBondContact OG1-CG 3.26Å; T113-E116 PolarHBondContact OG1-N 3.36Å; T113-E116 PolarHBondContact OG1-OE2 3.08Å; E116-K119 PolarHBondContact O-N 3.39Å; E116-F120 WeakPolarHBondContact O-CB 3.38Å; E116-F120 PolarHBondContact O-N 3.43Å
117	S	90.4	Very high	84	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-44	176.1	-61.8	0	0	0	0	111.8	F111 T113 K119 F120 Y121 V160	F111-S117 PolarHBondContact N-OG 2.8Å; F111-S117 PolarHBondContact O-OG 2.95Å; T113-S117 WeakPolarHBondContact O-CB 3.15Å; T113-S117 PolarHBondContact O-N 3.11Å; T113-S117 PolarHBondContact O-OG 3.01Å; S117-K119 PolarHBondContact O-N 3.41Å; S117-F120 PolarHBondContact O-N 2.92Å; S117-Y121 WeakPolarHBondContact O-CB 3.41Å; S117-Y121 WeakPolarHBondContact O-CD2 3.41Å; S117-Y121 PolarHBondContact O-N 3.08Å; S117-V160 WeakPolarHBondContact OG-CG1 3.25Å
118	N	94.3	Very high	83.5	Confident	13 Å²	13	47 Å²	47	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-46.8	176	178.8	-93	0	0	0	112.1	V114 E115 F120 Y121 K122 I170 L171 D173	V114-N118 VanDerWaalsContact O-CB 3.24Å; V114-N118 WeakPolarHBondContact O-CB 3.41Å; V114-N118 PolarHBondContact O-N 3.44Å; E115-N118 PolarHBondContact O-N 3.47Å; N118-F120 VanDerWaalsContact C-N 3.33Å; N118-F120 PolarHBondContact O-N 2.94Å; N118-Y121 PolarHBondContact O-N 2.91Å; N118-K122 WeakPolarHBondContact O-CG 3.36Å; N118-K122 PolarHBondContact O-N 3.28Å; N118-K122 VanDerWaalsContact OD1-CE 3.23Å; N118-K122 WeakPolarHBondContact OD1-CE 3Å; N118-K122 PolarHBondContact OD1-NZ 3.25Å; N118-I170 PolarHBondContact ND2-O 3.45Å; N118-L171 WeakPolarHBondContact CB-O 3.42Å; N118-L171 PolarHBondContact ND2-O 3.35Å; N118-D173 PolarHBondContact ND2-N 2.76Å; N118-D173 PolarHBondContact ND2-O 2.63Å
119	K	91.9	Very high	84	Confident	136 Å²	136	44.8 Å²	44.8	59%	0.591	24%	0.237	S	C	*	.	H	α-helix	trans	-58.9	-47.5	176.1	179.3	177.5	176.2	177.7	0	110.8	E115 E116 S117 Y121 K122 D123	E115-K119 PolarHBondContact O-N 3.03Å; E115-K119 VanDerWaalsContact O-N 3.09Å; E116-K119 PolarHBondContact O-N 3.39Å; S117-K119 PolarHBondContact O-N 3.41Å; K119-Y121 VanDerWaalsContact C-N 3.35Å; K119-Y121 PolarHBondContact O-N 3.21Å; K119-K122 PolarHBondContact O-N 2.98Å; K119-D123 PolarHBondContact O-N 2.77Å
120	F	85.8	Confident	84.5	Confident	31 Å²	31	49.3 Å²	49.3	14%	0.136	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-41.7	178.9	-176.6	-99.6	0	0	0	112.6	A109 F111 E116 S117 N118 D123 N124 A400	A109-F120 HydrophobicContact CB-CD1 3.73Å; A109-F120 HydrophobicContact CB-CE1 3.21Å; A109-F120 HydrophobicContact CB-CZ 4.21Å; F111-F120 HydrophobicContact CD2-CB 3.89Å; F111-F120 HydrophobicContact CD2-CD1 4.41Å; F111-F120 HydrophobicContact CD2-CD2 4.39Å; F111-F120 HydrophobicContact CD2-CG 4.01Å; F111-F120 HydrophobicContact CE2-CB 3.6Å; F111-F120 AromaticContact CE2-CD1 3.79Å; F111-F120 HydrophobicContact CE2-CD1 3.79Å; F111-F120 AromaticContact CE2-CD2 3.31Å; F111-F120 HydrophobicContact CE2-CD2 3.31Å; F111-F120 HydrophobicContact CE2-CE1 4.22Å; F111-F120 AromaticContact CE2-CE2 3.78Å; F111-F120 HydrophobicContact CE2-CE2 3.78Å; F111-F120 AromaticContact CE2-CG 3.28Å; F111-F120 HydrophobicContact CE2-CG 3.28Å; F111-F120 HydrophobicContact CE2-CZ 4.2Å; F111-F120 AromaticContact CZ-CD2 3.72Å; F111-F120 HydrophobicContact CZ-CD2 3.72Å; F111-F120 AromaticContact CZ-CE2 3.98Å; F111-F120 HydrophobicContact CZ-CE2 3.98Å; F111-F120 HydrophobicContact CZ-CG 4.17Å; E116-F120 WeakPolarHBondContact O-CB 3.38Å; E116-F120 PolarHBondContact O-N 3.43Å; S117-F120 PolarHBondContact O-N 2.92Å; N118-F120 VanDerWaalsContact C-N 3.33Å; N118-F120 PolarHBondContact O-N 2.94Å; F120-D123 PolarHBondContact O-N 2.87Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.45Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.45Å; F120-N124 WeakPolarHBondContact O-CB 3.42Å; F120-N124 VanDerWaalsContact O-CG 3.31Å; F120-N124 PolarHBondContact O-N 2.98Å; F120-A400 HydrophobicContact CZ-CB 4.46Å
121	Y	88.6	Confident	85.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-46	174.6	-64.3	-22.9	0	0	0	111.6	A109 S117 N118 K119 D123 N124 I125 L132 S133 V134 L171 I175	A109-Y121 HydrophobicContact CB-CE1 4.14Å; A109-Y121 VanDerWaalsContact O-CE1 3.32Å; A109-Y121 WeakPolarHBondContact O-CE1 3.49Å; A109-Y121 PolarHBondContact O-OH 3.22Å; S117-Y121 WeakPolarHBondContact O-CB 3.41Å; S117-Y121 WeakPolarHBondContact O-CD2 3.41Å; S117-Y121 PolarHBondContact O-N 3.08Å; N118-Y121 PolarHBondContact O-N 2.91Å; K119-Y121 VanDerWaalsContact C-N 3.35Å; K119-Y121 PolarHBondContact O-N 3.21Å; Y121-D123 VanDerWaalsContact C-N 3.35Å; Y121-D123 PolarHBondContact O-N 3.15Å; Y121-N124 PolarHBondContact O-N 3.19Å; Y121-I125 WeakPolarHBondContact O-CB 3.46Å; Y121-I125 WeakPolarHBondContact O-CD1 3.33Å; Y121-I125 WeakPolarHBondContact O-CG1 3.45Å; Y121-I125 PolarHBondContact O-N 3.29Å; Y121-L132 HydrophobicContact CD1-CD2 4.02Å; Y121-L132 HydrophobicContact CD2-CD1 4.44Å; Y121-L132 HydrophobicContact CG-CD1 4.46Å; Y121-L132 HydrophobicContact CG-CD2 3.91Å; Y121-S133 PolarHBondContact OH-O 3.32Å; Y121-V134 HydrophobicContact CE2-CG2 4.41Å; Y121-L171 HydrophobicContact CD2-CD1 4.4Å; Y121-L171 HydrophobicContact CE2-CD1 3.67Å; Y121-L171 HydrophobicContact CE2-CG 4.15Å; Y121-I175 HydrophobicContact CD2-CD1 4.06Å; Y121-I175 HydrophobicContact CG-CD1 4.44Å
122	K	90.6	Very high	86.2	Confident	64 Å²	64	46.6 Å²	46.6	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-43.2	176.7	-74.2	170.5	175.4	161	0	112.1	N118 K119 K126 D173 I175	N118-K122 WeakPolarHBondContact O-CG 3.36Å; N118-K122 PolarHBondContact O-N 3.28Å; N118-K122 VanDerWaalsContact OD1-CE 3.23Å; N118-K122 WeakPolarHBondContact OD1-CE 3Å; N118-K122 PolarHBondContact OD1-NZ 3.25Å; K119-K122 PolarHBondContact O-N 2.98Å; K122-K126 WeakPolarHBondContact O-CG 3.28Å; K122-K126 PolarHBondContact O-N 3.27Å; K122-D173 WeakPolarHBondContact CE-O 3.39Å; K122-D173 PolarHBondContact NZ-O 3.35Å; K122-I175 HydrophobicContact CG-CG1 4.46Å
123	D	87.8	Confident	86.7	Confident	71 Å²	71	46.2 Å²	46.2	38%	0.38	24%	0.238	S	C	.	.	H	α-helix	trans	-67.6	-39.2	179.4	-69.8	-19.8	0	0	0	111.6	K119 F120 Y121 K126 A127	K119-D123 PolarHBondContact O-N 2.77Å; F120-D123 PolarHBondContact O-N 2.87Å; Y121-D123 VanDerWaalsContact C-N 3.35Å; Y121-D123 PolarHBondContact O-N 3.15Å; D123-K126 WeakPolarHBondContact O-CB 3.23Å; D123-K126 PolarHBondContact O-N 3.12Å; D123-K126 IonicContact OD1-NZ 3.49Å; D123-A127 WeakPolarHBondContact O-CB 3.36Å; D123-A127 PolarHBondContact O-N 2.92Å
124	N	81	Confident	87	Confident	9 Å²	9	45.3 Å²	45.3	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-70.9	-36.9	176.9	-75.4	3.1	0	0	0	113.7	F120 Y121 K126 A127 G128 Q129 R404	F120-N124 WeakPolarHBondContact CE1-ND2 3.45Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.45Å; F120-N124 WeakPolarHBondContact O-CB 3.42Å; F120-N124 VanDerWaalsContact O-CG 3.31Å; F120-N124 PolarHBondContact O-N 2.98Å; Y121-N124 PolarHBondContact O-N 3.19Å; N124-K126 VanDerWaalsContact C-N 3.27Å; N124-K126 PolarHBondContact O-N 3.05Å; N124-A127 CarbonylContact O-C 3.53Å; N124-A127 WeakPolarHBondContact O-CA 3.33Å; N124-A127 PolarHBondContact O-N 3.4Å; N124-A127 VanDerWaalsContact O-N 3.07Å; N124-G128 PolarHBondContact O-N 3.41Å; N124-Q129 HydrophobicContact CB-CB 3.92Å; N124-Q129 PolarHBondContact ND2-OE1 3.23Å; N124-Q129 VanDerWaalsContact O-CB 3.23Å; N124-Q129 WeakPolarHBondContact O-CB 3.41Å; N124-Q129 PolarHBondContact O-N 3.38Å; N124-R404 PolarHBondContact ND2-NH2 3.46Å; N124-R404 PolarHBondContact OD1-NH2 2.82Å
125	I	83.9	Confident	86.9	Confident	57 Å²	57	45.8 Å²	45.8	29%	0.292	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-44.5	173.1	-71.1	163	0	0	0	109.4	Y121 A127 G128 L132 M180	Y121-I125 WeakPolarHBondContact O-CB 3.46Å; Y121-I125 WeakPolarHBondContact O-CD1 3.33Å; Y121-I125 WeakPolarHBondContact O-CG1 3.45Å; Y121-I125 PolarHBondContact O-N 3.29Å; I125-A127 VanDerWaalsContact C-N 3.26Å; I125-A127 PolarHBondContact O-N 2.9Å; I125-G128 PolarHBondContact O-N 3.25Å; I125-L132 HydrophobicContact CD1-CD1 4.4Å; I125-L132 HydrophobicContact CD1-CD2 4.12Å; I125-L132 HydrophobicContact CG1-CD2 4.14Å; I125-M180 HydrophobicContact CD1-CE 3.72Å; I125-M180 HydrophobicContact CD1-SD 4.31Å; I125-M180 HydrophobicContact CG1-CE 3.78Å
126	K	87.8	Confident	86.9	Confident	168 Å²	168	42 Å²	42	73%	0.73	22%	0.219	S	C	*	.	H	α-helix	trans	-62.3	-33.9	174.2	-67.8	170	-172.6	167.7	0	112.5	K122 D123 N124 G128	K122-K126 WeakPolarHBondContact O-CG 3.28Å; K122-K126 PolarHBondContact O-N 3.27Å; D123-K126 WeakPolarHBondContact O-CB 3.23Å; D123-K126 PolarHBondContact O-N 3.12Å; D123-K126 IonicContact OD1-NZ 3.49Å; N124-K126 VanDerWaalsContact C-N 3.27Å; N124-K126 PolarHBondContact O-N 3.05Å; K126-G128 VanDerWaalsContact C-N 3.25Å; K126-G128 PolarHBondContact O-N 2.98Å
127	A	82.1	Confident	87.2	Confident	53 Å²	53	37.3 Å²	37.3	44%	0.438	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	13.2	177.9	0	0	0	0	0	114.4	D123 N124 I125	D123-A127 WeakPolarHBondContact O-CB 3.36Å; D123-A127 PolarHBondContact O-N 2.92Å; N124-A127 CarbonylContact O-C 3.53Å; N124-A127 WeakPolarHBondContact O-CA 3.33Å; N124-A127 PolarHBondContact O-N 3.4Å; N124-A127 VanDerWaalsContact O-N 3.07Å; I125-A127 VanDerWaalsContact C-N 3.26Å; I125-A127 PolarHBondContact O-N 2.9Å
128	G	76.9	Confident	87.5	Confident	48 Å²	48	38 Å²	38	50%	0.495	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	5.5	172.8	0	0	0	0	0	115.9	N124 I125 K126 Q130	N124-G128 PolarHBondContact O-N 3.41Å; I125-G128 PolarHBondContact O-N 3.25Å; K126-G128 VanDerWaalsContact C-N 3.25Å; K126-G128 PolarHBondContact O-N 2.98Å; G128-Q130 PolarHBondContact O-N 2.76Å
129	Q	78.3	Confident	87.7	Confident	7 Å²	7	37.3 Å²	37.3	3%	0.033	20%	0.197	C	C	.	.			trans	-66.1	126.5	172.8	-177.3	164.6	-10	0	0	110.6	Q107 N124 G131	Q107-Q129 PolarHBondContact O-NE2 2.96Å; N124-Q129 HydrophobicContact CB-CB 3.92Å; N124-Q129 PolarHBondContact ND2-OE1 3.23Å; N124-Q129 VanDerWaalsContact O-CB 3.23Å; N124-Q129 WeakPolarHBondContact O-CB 3.41Å; N124-Q129 PolarHBondContact O-N 3.38Å; Q129-G131 WeakPolarHBondContact CG-O 3.05Å; Q129-G131 PolarHBondContact NE2-O 2.76Å
130	Q	77.3	Confident	88	Confident	106 Å²	106	30.9 Å²	30.9	50%	0.495	17%	0.168	S	C	.	.			trans	-99.5	-11.7	-171	-62.7	-170.5	-16.8	0	0	114.5	T104 G128	T104-Q130 HydrophobicContact CG2-CB 4.06Å; G128-Q130 PolarHBondContact O-N 2.76Å
131	G	84.2	Confident	88.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-149.6	149.5	177.1	0	0	0	0	0	110.5	Q129	Q129-G131 WeakPolarHBondContact CG-O 3.05Å; Q129-G131 PolarHBondContact NE2-O 2.76Å
132	L	88.4	Confident	89	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	146.6	179.4	-61.3	177.3	0	0	0	109.9	Y121 I125 I175 M180 S181 S183	Y121-L132 HydrophobicContact CD1-CD2 4.02Å; Y121-L132 HydrophobicContact CD2-CD1 4.44Å; Y121-L132 HydrophobicContact CG-CD1 4.46Å; Y121-L132 HydrophobicContact CG-CD2 3.91Å; I125-L132 HydrophobicContact CD1-CD1 4.4Å; I125-L132 HydrophobicContact CD1-CD2 4.12Å; I125-L132 HydrophobicContact CG1-CD2 4.14Å; L132-I175 HydrophobicContact CD1-CD1 4Å; L132-I175 HydrophobicContact CD1-CG2 3.74Å; L132-M180 HydrophobicContact CD1-CE 4.18Å; L132-M180 HydrophobicContact CD2-CE 4.32Å; L132-M180 HydrophobicContact CG-CE 3.82Å; L132-S181 PolarHBondContact N-O 3.18Å; L132-S183 PolarHBondContact O-N 3.35Å
133	S	89.3	Confident	89.4	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.6	170.6	-65	0	0	0	0	108	Q107 Y121 S183	Q107-S133 WeakPolarHBondContact O-CB 3.44Å; Y121-S133 PolarHBondContact OH-O 3.32Å; S133-S183 CarbonylContact C-O 3.05Å; S133-S183 VanDerWaalsContact CA-O 3.23Å; S133-S183 WeakPolarHBondContact CA-O 3.33Å
134	V	92.3	Very high	89.9	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.7	-177.6	-174.5	0	0	0	0	109.7	Y121 F136 V160 L171 F172 V182 S183 T185	Y121-V134 HydrophobicContact CE2-CG2 4.41Å; V134-F136 HydrophobicContact CB-CE2 4.19Å; V134-F136 HydrophobicContact CB-CZ 4Å; V134-F136 HydrophobicContact CG1-CD1 4.21Å; V134-F136 HydrophobicContact CG1-CD2 4.49Å; V134-F136 HydrophobicContact CG1-CE1 3.68Å; V134-F136 HydrophobicContact CG1-CE2 4Å; V134-F136 HydrophobicContact CG1-CZ 3.56Å; V134-V160 HydrophobicContact CG1-CG2 3.9Å; V134-L171 HydrophobicContact CG1-CD2 3.86Å; V134-L171 HydrophobicContact CG2-CD2 4.27Å; V134-F172 HydrophobicContact CG2-CE1 4.37Å; V134-F172 HydrophobicContact CG2-CZ 3.95Å; V134-V182 HydrophobicContact CG2-CG1 4.11Å; V134-S183 PolarHBondContact N-O 3.45Å; V134-T185 PolarHBondContact O-OG1 3.03Å
135	A	90.8	Very high	90.8	Very high	11 Å²	11	24.6 Å²	24.6	9%	0.091	14%	0.137	C	C	.	.			trans	-98.2	130.6	169.8	0	0	0	0	0	109.8	Y108 G159 V160	Y108-A135 HydrophobicContact CD1-CB 3.78Å; Y108-A135 HydrophobicContact CE1-CB 3.4Å; A135-G159 WeakPolarHBondContact O-CA 3.45Å; A135-V160 WeakPolarHBondContact O-CG2 3.28Å; A135-V160 PolarHBondContact O-N 3.09Å
136	F	94.9	Very high	91.4	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.026	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-105.1	152.9	179.9	-57.1	-84.8	0	0	0	110.8	V134 T140 H141 V160 I162 M184 M186 I193	V134-F136 HydrophobicContact CB-CE2 4.19Å; V134-F136 HydrophobicContact CB-CZ 4Å; V134-F136 HydrophobicContact CG1-CD1 4.21Å; V134-F136 HydrophobicContact CG1-CD2 4.49Å; V134-F136 HydrophobicContact CG1-CE1 3.68Å; V134-F136 HydrophobicContact CG1-CE2 4Å; V134-F136 HydrophobicContact CG1-CZ 3.56Å; F136-T140 HydrophobicContact CB-CG2 4.12Å; F136-T140 HydrophobicContact CD1-CG2 4.03Å; F136-T140 HydrophobicContact CG-CG2 4.34Å; F136-H141 PolarHBondContact O-CD2 3.37Å; F136-V160 HydrophobicContact CD1-CG2 4Å; F136-V160 HydrophobicContact CE1-CG2 4.41Å; F136-I162 HydrophobicContact CD1-CG1 3.84Å; F136-I162 HydrophobicContact CE1-CG1 3.93Å; F136-M184 HydrophobicContact CE2-CB 4.01Å; F136-M184 HydrophobicContact CE2-CG 4.48Å; F136-M184 HydrophobicContact CZ-CB 4.19Å; F136-M184 HydrophobicContact CZ-CG 4.21Å; F136-M184 HydrophobicContact CZ-SD 4.45Å; F136-M186 HydrophobicContact CB-CE 3.6Å; F136-M186 HydrophobicContact CD1-CE 4.23Å; F136-M186 HydrophobicContact CD2-CB 4.32Å; F136-M186 HydrophobicContact CD2-CE 3.51Å; F136-M186 HydrophobicContact CE2-CB 4.15Å; F136-M186 HydrophobicContact CE2-CE 4.22Å; F136-M186 HydrophobicContact CG-CE 3.5Å; F136-I193 HydrophobicContact CE1-CD1 4.43Å; F136-I193 HydrophobicContact CE1-CG2 3.92Å; F136-I193 HydrophobicContact CE2-CG2 4.22Å; F136-I193 HydrophobicContact CZ-CG2 3.63Å
137	D	95.2	Very high	91.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.107	C	C	.	.			trans	-69.6	167.2	171.4	76.1	4.7	0	0	0	112.5	A139 T140 H141 V155 G156 V160 A161	D137-A139 VanDerWaalsContact C-N 3.31Å; D137-A139 PolarHBondContact O-N 3.39Å; D137-A139 PolarHBondContact OD1-N 3.45Å; D137-T140 PolarHBondContact O-N 3.23Å; D137-T140 WeakPolarHBondContact OD1-CB 3.37Å; D137-T140 PolarHBondContact OD1-N 3.11Å; D137-T140 PolarHBondContact OD1-OG1 3.48Å; D137-H141 PolarHBondContact O-CD2 3.25Å; D137-H141 VanDerWaalsContact O-CD2 3.25Å; D137-H141 PolarHBondContact O-N 2.91Å; D137-V155 WeakPolarHBondContact OD2-CA 3.29Å; D137-G156 PolarHBondContact OD2-N 2.85Å; D137-V160 PolarHBondContact N-O 3.44Å; D137-A161 WeakPolarHBondContact OD2-CA 3.2Å; D137-A161 WeakPolarHBondContact OD2-CB 3.39Å
138	L	96.5	Very high	92.6	Very high	14 Å²	14	17.1 Å²	17.1	7%	0.073	10%	0.099	C	C	.	.	H	α-helix	trans	-71.9	-26	-175.4	-65.4	174.8	0	0	0	113	R142 D154 A158 T228 Q622 A673	L138-R142 PolarHBondContact O-N 3.36Å; L138-D154 HydrophobicContact CB-CB 4.37Å; L138-A158 HydrophobicContact CG-CB 4.09Å; L138-T228 HydrophobicContact CD2-CG2 4.4Å; L138-Q622 HydrophobicContact CB-CB 3.6Å; L138-Q622 HydrophobicContact CD1-CB 4.36Å; L138-A673 HydrophobicContact CD1-CB 3.56Å
139	A	97.4	Very high	93.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-53.1	172.4	0	0	0	0	0	110.5	D137 H141 R142 G143 Y144 V151	D137-A139 VanDerWaalsContact C-N 3.31Å; D137-A139 PolarHBondContact O-N 3.39Å; D137-A139 PolarHBondContact OD1-N 3.45Å; A139-H141 VanDerWaalsContact C-N 3.34Å; A139-H141 PolarHBondContact O-N 3.19Å; A139-R142 CarbonylContact O-C 3.58Å; A139-R142 PolarHBondContact O-N 3.28Å; A139-G143 PolarHBondContact O-N 3.37Å; A139-G143 VanDerWaalsContact O-N 3.14Å; A139-Y144 CarbonylContact C-O 3.4Å; A139-Y144 PolarHBondContact O-N 3.49Å; A139-V151 HydrophobicContact CB-CB 3.81Å; A139-V151 HydrophobicContact CB-CG1 4.1Å; A139-V151 HydrophobicContact CB-CG2 3.72Å
140	T	98.3	Very high	94.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-46.6	177	-54.7	0	0	0	0	110.5	F136 D137 R142 G143 I162 M186 A189 I193	F136-T140 HydrophobicContact CB-CG2 4.12Å; F136-T140 HydrophobicContact CD1-CG2 4.03Å; F136-T140 HydrophobicContact CG-CG2 4.34Å; D137-T140 PolarHBondContact O-N 3.23Å; D137-T140 WeakPolarHBondContact OD1-CB 3.37Å; D137-T140 PolarHBondContact OD1-N 3.11Å; D137-T140 PolarHBondContact OD1-OG1 3.48Å; T140-R142 VanDerWaalsContact C-N 3.26Å; T140-R142 PolarHBondContact O-N 2.85Å; T140-G143 PolarHBondContact O-N 2.72Å; T140-G143 VanDerWaalsContact O-N 3.08Å; T140-I162 HydrophobicContact CG2-CB 3.94Å; T140-I162 PolarHBondContact OG1-N 2.76Å; T140-I162 VanDerWaalsContact OG1-N 3.12Å; T140-M186 HydrophobicContact CG2-CE 3.93Å; T140-A189 WeakPolarHBondContact O-CB 3.5Å; T140-I193 HydrophobicContact CG2-CD1 3.37Å; T140-I193 HydrophobicContact CG2-CG1 4.07Å
141	H	98.3	Very high	95.1	Very high	5 Å²	5	19 Å²	19	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-53.5	-41.1	179.2	-95.2	-70.3	0	0	0	113.8	F136 D137 A139 T185 M186 A189 R226 T228	F136-H141 PolarHBondContact O-CD2 3.37Å; D137-H141 PolarHBondContact O-CD2 3.25Å; D137-H141 VanDerWaalsContact O-CD2 3.25Å; D137-H141 PolarHBondContact O-N 2.91Å; A139-H141 VanDerWaalsContact C-N 3.34Å; A139-H141 PolarHBondContact O-N 3.19Å; H141-T185 PolarHBondContact CE1-O 2.96Å; H141-M186 HydrophobicContact CB-CE 4.46Å; H141-A189 PolarHBondContact O-N 3.33Å; H141-R226 PolarHBondContact CE1-NH1 3.45Å; H141-R226 VanDerWaalsContact CE1-NH1 3.29Å; H141-R226 PolarHBondContact CE1-NH2 3.03Å; H141-R226 PolarHBondContact NE2-NH2 2.91Å; H141-T228 HydrophobicContact CB-CG2 4.15Å
142	R	98.4	Very high	95.5	Very high	11 Å²	11	25.3 Å²	25.3	4%	0.042	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	12.9	-177.6	-59.5	-161.1	66.1	-120.1	0.1	113.6	L138 A139 T140 Y144 Y229 I230 Q622 F649	L138-R142 PolarHBondContact O-N 3.36Å; A139-R142 CarbonylContact O-C 3.58Å; A139-R142 PolarHBondContact O-N 3.28Å; T140-R142 VanDerWaalsContact C-N 3.26Å; T140-R142 PolarHBondContact O-N 2.85Å; R142-Y144 HydrophobicContact CB-CD2 3.98Å; R142-Y144 HydrophobicContact CB-CE2 4.04Å; R142-Y229 PolarHBondContact NE-O 3.38Å; R142-I230 VanDerWaalsContact O-CD1 3.3Å; R142-I230 WeakPolarHBondContact O-CD1 3.08Å; R142-Q622 VanDerWaalsContact CD-OE1 3.31Å; R142-F649 VanDerWaalsContact CZ-CE2 3.49Å
143	G	98.4	Very high	95.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	37.4	171.6	0	0	0	0	0	113.1	A139 T140 G561 T564	A139-G143 PolarHBondContact O-N 3.37Å; A139-G143 VanDerWaalsContact O-N 3.14Å; T140-G143 PolarHBondContact O-N 2.72Å; T140-G143 VanDerWaalsContact O-N 3.08Å; G143-G561 WeakPolarHBondContact O-CA 3.33Å; G143-T564 WeakPolarHBondContact CA-OG1 3.41Å
144	Y	98.8	Very high	95.8	Very high	17 Å²	17	25.4 Å²	25.4	7%	0.067	13%	0.125	C	C	.	.			trans	-107.4	142.3	173	-67.8	-64.8	0	0	0	110.8	A139 R142 N148 V151	A139-Y144 CarbonylContact C-O 3.4Å; A139-Y144 PolarHBondContact O-N 3.49Å; R142-Y144 HydrophobicContact CB-CD2 3.98Å; R142-Y144 HydrophobicContact CB-CE2 4.04Å; Y144-N148 HydrophobicContact CD1-CB 4.45Å; Y144-N148 WeakPolarHBondContact CD1-ND2 3.47Å; Y144-V151 HydrophobicContact CD2-CG1 3.54Å; Y144-V151 HydrophobicContact CE2-CG1 4.34Å; Y144-V151 HydrophobicContact CG-CG1 3.77Å
145	D	98.6	Very high	95.9	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.053	13%	0.125	C	C	.	.			trans	-75	153.6	166.3	-70.9	-14.9	0	0	0	110.7	D147 N148 D163 L516 K520 T559 G561	D145-D147 WeakPolarHBondContact CB-OD1 3.48Å; D145-D147 PolarHBondContact O-N 3.44Å; D145-D147 VanDerWaalsContact O-N 3.13Å; D145-N148 VanDerWaalsContact O-CB 3.23Å; D145-N148 WeakPolarHBondContact O-CB 3.38Å; D145-N148 PolarHBondContact O-N 3.05Å; D145-D163 WeakPolarHBondContact CA-OD1 3.32Å; D145-L516 HydrophobicContact CB-CD2 4.03Å; D145-K520 IonicContact OD2-NZ 3.91Å; D145-K520 PolarHBondContact OD2-NZ 2.99Å; D145-T559 WeakPolarHBondContact OD1-CB 3.39Å; D145-T559 PolarHBondContact OD1-OG1 3.47Å; D145-T559 VanDerWaalsContact OD2-CB 3.24Å; D145-T559 WeakPolarHBondContact OD2-CB 3.45Å; D145-T559 PolarHBondContact OD2-OG1 2.92Å; D145-G561 WeakPolarHBondContact OD1-CA 3.42Å; D145-G561 PolarHBondContact OD1-N 2.99Å
146	S	98.1	Very high	96	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.1	-178.2	-60.7	0	0	0	0	115.2	D163 Q512	S146-D163 WeakPolarHBondContact CB-OD1 3.49Å; S146-D163 WeakPolarHBondContact CB-OD2 3.31Å; S146-D163 PolarHBondContact N-OD1 3.38Å; S146-D163 PolarHBondContact OG-OD1 2.93Å; S146-D163 PolarHBondContact OG-OD2 3.49Å; S146-Q512 VanDerWaalsContact CB-CG 3.47Å; S146-Q512 WeakPolarHBondContact OG-CG 3.49Å
147	D	97.6	Very high	95.7	Very high	73 Å²	73	25.5 Å²	25.5	39%	0.39	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.2	172.4	68.2	-7.9	0	0	0	113.5	D145 P149 I513 L516 K520	D145-D147 WeakPolarHBondContact CB-OD1 3.48Å; D145-D147 PolarHBondContact O-N 3.44Å; D145-D147 VanDerWaalsContact O-N 3.13Å; D147-P149 WeakPolarHBondContact O-CD 3.38Å; D147-I513 HydrophobicContact CB-CD1 4.44Å; D147-I513 HydrophobicContact CB-CG1 3.97Å; D147-L516 HydrophobicContact CB-CD2 3.97Å; D147-L516 WeakPolarHBondContact OD2-CD2 3.39Å; D147-K520 IonicContact OD2-NZ 3.32Å
148	N	97.7	Very high	95.3	Very high	48 Å²	48	27.5 Å²	27.5	26%	0.257	14%	0.141	S	C	.	.			trans	-70.6	125.8	-179.9	-168.7	-51.1	0	0	0	111.1	Y144 D145 R150 V151	Y144-N148 HydrophobicContact CD1-CB 4.45Å; Y144-N148 WeakPolarHBondContact CD1-ND2 3.47Å; D145-N148 VanDerWaalsContact O-CB 3.23Å; D145-N148 WeakPolarHBondContact O-CB 3.38Å; D145-N148 PolarHBondContact O-N 3.05Å; N148-R150 PolarHBondContact O-N 3.1Å; N148-R150 VanDerWaalsContact O-N 3.14Å; N148-R150 WeakPolarHBondContact OD1-CB 3.32Å; N148-R150 PolarHBondContact OD1-N 3.04Å; N148-V151 HydrophobicContact CB-CG2 4.09Å; N148-V151 WeakPolarHBondContact O-CG2 3.49Å; N148-V151 PolarHBondContact O-N 2.87Å
149	P	93.3	Very high	95	Very high	116 Å²	116	26.8 Å²	26.8	75%	0.753	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-57.8	-29.5	-179.6	-26.5	34.9	0	0	0	114.6	D147 V151 R152	D147-P149 WeakPolarHBondContact O-CD 3.38Å; P149-V151 PolarHBondContact O-N 2.97Å; P149-R152 PolarHBondContact O-N 3.4Å
150	R	94.9	Very high	94.8	Very high	84 Å²	84	26.8 Å²	26.8	32%	0.317	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-69.1	-18.6	-177.5	-172.4	172	-72.7	-83.1	-1.1	113.3	N148 F649 E654	N148-R150 PolarHBondContact O-N 3.1Å; N148-R150 VanDerWaalsContact O-N 3.14Å; N148-R150 WeakPolarHBondContact OD1-CB 3.32Å; N148-R150 PolarHBondContact OD1-N 3.04Å; R150-F649 PolarHBondContact NH1-O 3.18Å; R150-F649 VanDerWaalsContact NH1-O 3.09Å; R150-E654 IonicContact CZ-OE1 2.76Å; R150-E654 IonicContact CZ-OE2 3.71Å; R150-E654 IonicContact NH1-OE1 3.76Å; R150-E654 IonicContact NH1-OE2 2.58Å; R150-E654 PolarHBondContact NH1-OE2 3.25Å; R150-E654 IonicContact NH2-OE1 3.9Å; R150-E654 PolarHBondContact NH2-OE1 3.35Å; R150-E654 IonicContact NH2-OE2 3.49Å
151	V	95.8	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-114.1	15.8	-176.2	-52.1	0	0	0	0	113.1	A139 Y144 N148 P149 G153 D154 V155 Q622	A139-V151 HydrophobicContact CB-CB 3.81Å; A139-V151 HydrophobicContact CB-CG1 4.1Å; A139-V151 HydrophobicContact CB-CG2 3.72Å; Y144-V151 HydrophobicContact CD2-CG1 3.54Å; Y144-V151 HydrophobicContact CE2-CG1 4.34Å; Y144-V151 HydrophobicContact CG-CG1 3.77Å; N148-V151 HydrophobicContact CB-CG2 4.09Å; N148-V151 WeakPolarHBondContact O-CG2 3.49Å; N148-V151 PolarHBondContact O-N 2.87Å; P149-V151 PolarHBondContact O-N 2.97Å; V151-G153 PolarHBondContact O-N 3.35Å; V151-G153 VanDerWaalsContact O-N 3.07Å; V151-D154 WeakPolarHBondContact CA-OD2 3.4Å; V151-D154 HydrophobicContact CB-CB 4.41Å; V151-D154 PolarHBondContact O-N 3Å; V151-V155 HydrophobicContact CG2-CG2 4.09Å; V151-V155 WeakPolarHBondContact O-CG2 3.4Å; V151-V155 PolarHBondContact O-N 2.91Å; V151-Q622 HydrophobicContact CB-CG 4.27Å; V151-Q622 HydrophobicContact CG1-CG 3.58Å
152	R	92	Very high	94.7	Very high	132 Å²	132	26.7 Å²	26.7	50%	0.498	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-38.2	-175.1	178.4	-174.2	172.2	123.8	-0.8	113.8	P149 N505 R509	P149-R152 PolarHBondContact O-N 3.4Å; R152-N505 PolarHBondContact O-ND2 3.33Å; R152-R509 PolarHBondContact O-NH1 3.3Å
153	G	90.6	Very high	94.7	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.021	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.4	-178.8	0	0	0	0	0	114.2	V151 M157	V151-G153 PolarHBondContact O-N 3.35Å; V151-G153 VanDerWaalsContact O-N 3.07Å; G153-M157 VanDerWaalsContact O-CG 3.32Å; G153-M157 WeakPolarHBondContact O-CG 3.35Å
154	D	93.9	Very high	94.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-20.7	-166.5	-52.6	-81.9	0	0	0	113.4	L138 V151 G156 M157 Q622	L138-D154 HydrophobicContact CB-CB 4.37Å; V151-D154 WeakPolarHBondContact CA-OD2 3.4Å; V151-D154 HydrophobicContact CB-CB 4.41Å; V151-D154 PolarHBondContact O-N 3Å; D154-G156 PolarHBondContact O-N 2.93Å; D154-M157 PolarHBondContact O-N 3.44Å; D154-Q622 HydrophobicContact CB-CB 4.32Å; D154-Q622 HydrophobicContact CB-CG 4.33Å; D154-Q622 PolarHBondContact OD1-N 3.03Å; D154-Q622 PolarHBondContact OD2-N 3.25Å
155	V	94.9	Very high	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	120.1	-177.5	180	0	0	0	0	111.3	D137 V151 M157 A161 V508 R509	D137-V155 WeakPolarHBondContact OD2-CA 3.29Å; V151-V155 HydrophobicContact CG2-CG2 4.09Å; V151-V155 WeakPolarHBondContact O-CG2 3.4Å; V151-V155 PolarHBondContact O-N 2.91Å; V155-M157 PolarHBondContact O-N 2.91Å; V155-A161 HydrophobicContact CG1-CB 4.12Å; V155-V508 HydrophobicContact CG1-CG1 4.4Å; V155-R509 HydrophobicContact CB-CB 4.26Å; V155-R509 HydrophobicContact CB-CG 4.31Å; V155-R509 HydrophobicContact CG1-CB 4.18Å; V155-R509 HydrophobicContact CG1-CG 4.39Å; V155-R509 HydrophobicContact CG2-CG 4.24Å
156	G	91.6	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	9.2	176.9	0	0	0	0	0	115.8	S112 D137 D154 G159	S112-G156 VanDerWaalsContact CA-O 3.27Å; S112-G156 WeakPolarHBondContact CA-O 3.33Å; S112-G156 WeakPolarHBondContact CB-O 3.33Å; S112-G156 PolarHBondContact OG-O 2.94Å; D137-G156 PolarHBondContact OD2-N 2.85Å; D154-G156 PolarHBondContact O-N 2.93Å; G156-G159 CarbonylContact C-O 3.46Å; G156-G159 WeakPolarHBondContact CA-O 3.45Å
157	M	89.3	Confident	94.8	Very high	20 Å²	20	27.3 Å²	27.3	10%	0.099	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-58.4	-176.1	-64.5	-55.8	-66.3	0	0	112.1	G153 D154 V155 I503 N505 A674	G153-M157 VanDerWaalsContact O-CG 3.32Å; G153-M157 WeakPolarHBondContact O-CG 3.35Å; D154-M157 PolarHBondContact O-N 3.44Å; V155-M157 PolarHBondContact O-N 2.91Å; M157-I503 HydrophobicContact CE-CB 4.18Å; M157-I503 VanDerWaalsContact O-CD1 3.23Å; M157-I503 WeakPolarHBondContact O-CD1 3.42Å; M157-I503 HydrophobicContact SD-CB 4.07Å; M157-I503 HydrophobicContact SD-CG2 3.75Å; M157-N505 HydrophobicContact CG-CB 4.27Å; M157-N505 HydrophobicContact SD-CB 3.35Å; M157-N505 WeakPolarHBondContact SD-CB 3.34Å; M157-A674 HydrophobicContact CE-CB 3.34Å; M157-A674 WeakPolarHBondContact CE-O 3.37Å
158	A	87.3	Confident	94.8	Very high	42 Å²	42	24 Å²	24	35%	0.347	12%	0.124	S	C	.	.	S	Bend	trans	-82.6	-12.9	-175.5	0	0	0	0	0	114	L138	L138-A158 HydrophobicContact CG-CB 4.09Å
159	G	90.7	Very high	94.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	176.2	-163	-175.6	0	0	0	0	0	111.7	F111 A135 G156	F111-G159 CarbonylContact O-C 3.45Å; A135-G159 WeakPolarHBondContact O-CA 3.45Å; G156-G159 CarbonylContact C-O 3.46Å; G156-G159 WeakPolarHBondContact CA-O 3.45Å
160	V	93.1	Very high	95.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-71.6	138.6	178.7	-64.3	0	0	0	0	111.3	F111 V114 S117 V134 A135 F136 D137 I162 L171	F111-V160 WeakPolarHBondContact O-CG1 3.44Å; F111-V160 PolarHBondContact O-N 3.37Å; V114-V160 HydrophobicContact CG1-CB 4.13Å; V114-V160 HydrophobicContact CG1-CG1 4.38Å; S117-V160 WeakPolarHBondContact OG-CG1 3.25Å; V134-V160 HydrophobicContact CG1-CG2 3.9Å; A135-V160 WeakPolarHBondContact O-CG2 3.28Å; A135-V160 PolarHBondContact O-N 3.09Å; F136-V160 HydrophobicContact CD1-CG2 4Å; F136-V160 HydrophobicContact CE1-CG2 4.41Å; D137-V160 PolarHBondContact N-O 3.44Å; V160-I162 HydrophobicContact CG2-CD1 4.1Å; V160-I162 HydrophobicContact CG2-CG1 4.04Å; V160-L171 HydrophobicContact CG1-CD1 4.29Å; V160-L171 HydrophobicContact CG2-CD2 4.44Å
161	A	96.3	Very high	95.2	Very high	3 Å²	3	18 Å²	18	3%	0.025	9%	0.088	C	C	.	.			trans	-81.3	125.9	168.1	0	0	0	0	0	110	D137 V155 Q512	D137-A161 WeakPolarHBondContact OD2-CA 3.2Å; D137-A161 WeakPolarHBondContact OD2-CB 3.39Å; V155-A161 HydrophobicContact CG1-CB 4.12Å; A161-Q512 HydrophobicContact CB-CG 4.2Å
162	I	98.2	Very high	95.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.			trans	-127.5	112.4	176.1	-57.4	-64.7	0	0	0	108.1	V114 F136 T140 V160 D167 T168 I193 V560	V114-I162 HydrophobicContact CG1-CD1 3.63Å; F136-I162 HydrophobicContact CD1-CG1 3.84Å; F136-I162 HydrophobicContact CE1-CG1 3.93Å; T140-I162 HydrophobicContact CG2-CB 3.94Å; T140-I162 PolarHBondContact OG1-N 2.76Å; T140-I162 VanDerWaalsContact OG1-N 3.12Å; V160-I162 HydrophobicContact CG2-CD1 4.1Å; V160-I162 HydrophobicContact CG2-CG1 4.04Å; I162-D167 HydrophobicContact CD1-CB 3.69Å; I162-D167 HydrophobicContact CG2-CB 4.33Å; I162-T168 HydrophobicContact CD1-CG2 4.09Å; I162-T168 HydrophobicContact CG2-CG2 3.85Å; I162-I193 HydrophobicContact CB-CD1 4.01Å; I162-I193 HydrophobicContact CG2-CD1 3.73Å; I162-V560 HydrophobicContact CG2-CG2 4.38Å; I162-V560 WeakPolarHBondContact O-CG2 3.29Å
163	D	98.7	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.			trans	-104.7	-29.4	174	-57.9	-41.1	0	0	0	111.4	D145 S146 D167 Q512 L516 T559 V560	D145-D163 WeakPolarHBondContact CA-OD1 3.32Å; S146-D163 WeakPolarHBondContact CB-OD1 3.49Å; S146-D163 WeakPolarHBondContact CB-OD2 3.31Å; S146-D163 PolarHBondContact N-OD1 3.38Å; S146-D163 PolarHBondContact OG-OD1 2.93Å; S146-D163 PolarHBondContact OG-OD2 3.49Å; D163-D167 PolarHBondContact N-OD2 2.91Å; D163-Q512 WeakPolarHBondContact OD2-CG 3.37Å; D163-Q512 PolarHBondContact OD2-NE2 3.14Å; D163-L516 HydrophobicContact CB-CD1 4.05Å; D163-T559 CarbonylContact O-C 3.51Å; D163-T559 WeakPolarHBondContact O-CA 3.29Å; D163-T559 WeakPolarHBondContact O-CB 3.14Å; D163-V560 PolarHBondContact O-N 3.04Å
164	T	98.8	Very high	95.8	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	12%	0.118	C	C	.	.	S	Bend	trans	-144.8	174	-174.9	68.9	0	0	0	0	112.4	E166 D167 L516 I519 T559	T164-E166 PolarHBondContact O-N 3.02Å; T164-E166 PolarHBondContact OG1-N 3.38Å; T164-D167 PolarHBondContact N-OD2 3.35Å; T164-D167 PolarHBondContact O-N 3.41Å; T164-D167 PolarHBondContact OG1-OD2 3.02Å; T164-L516 HydrophobicContact CG2-CD1 4.19Å; T164-I519 HydrophobicContact CG2-CG2 4.16Å; T164-T559 HydrophobicContact CG2-CG2 3.93Å
165	V	98.8	Very high	95.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-25.1	172.2	68.7	0	0	0	0	113.3	D167 T168 K169 T196 V199 A554 R557	V165-D167 VanDerWaalsContact C-N 3.28Å; V165-D167 PolarHBondContact O-N 3.26Å; V165-T168 PolarHBondContact O-N 2.99Å; V165-T168 PolarHBondContact O-OG1 2.8Å; V165-K169 HydrophobicContact CG2-CD 4.26Å; V165-K169 HydrophobicContact CG2-CG 4.38Å; V165-K169 WeakPolarHBondContact O-CB 3.36Å; V165-K169 VanDerWaalsContact O-CG 3.23Å; V165-K169 WeakPolarHBondContact O-CG 3.39Å; V165-K169 PolarHBondContact O-N 3.35Å; V165-T196 HydrophobicContact CB-CG2 4.09Å; V165-V199 HydrophobicContact CG2-CB 3.86Å; V165-V199 HydrophobicContact CG2-CG1 3.73Å; V165-A554 WeakPolarHBondContact CG1-O 3.32Å; V165-R557 HydrophobicContact CG1-CG 4.16Å
166	E	98.6	Very high	95.8	Very high	46 Å²	46	21.5 Å²	21.5	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-69.3	-29.1	179.3	-58.3	-57.3	151.9	0	0	112	T164 K169 I170 I519 R557	T164-E166 PolarHBondContact O-N 3.02Å; T164-E166 PolarHBondContact OG1-N 3.38Å; E166-K169 PolarHBondContact O-N 3.35Å; E166-K169 IonicContact OE1-NZ 2.69Å; E166-K169 PolarHBondContact OE1-NZ 3.1Å; E166-K169 WeakPolarHBondContact OE2-CD 3.42Å; E166-K169 WeakPolarHBondContact OE2-CE 3.13Å; E166-K169 IonicContact OE2-NZ 2.83Å; E166-K169 PolarHBondContact OE2-NZ 3Å; E166-I170 WeakPolarHBondContact O-CG1 3.43Å; E166-I170 PolarHBondContact O-N 3.25Å; E166-I170 VanDerWaalsContact O-N 3.12Å; E166-I519 HydrophobicContact CB-CD1 4.33Å; E166-I519 HydrophobicContact CG-CD1 3.66Å; E166-I519 HydrophobicContact CG-CG1 4.22Å; E166-R557 IonicContact OE1-CZ 3.72Å; E166-R557 IonicContact OE1-NE 3.02Å; E166-R557 PolarHBondContact OE1-NE 3.48Å; E166-R557 IonicContact OE1-NH2 2.77Å; E166-R557 PolarHBondContact OE1-NH2 3.36Å
167	D	98.4	Very high	96	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-70.3	-43.6	175.5	-55.6	-58.3	0	0	0	110.9	V114 I162 D163 T164 V165 K169 I170 L171 Q512	V114-D167 HydrophobicContact CG1-CB 4.34Å; I162-D167 HydrophobicContact CD1-CB 3.69Å; I162-D167 HydrophobicContact CG2-CB 4.33Å; D163-D167 PolarHBondContact N-OD2 2.91Å; T164-D167 PolarHBondContact N-OD2 3.35Å; T164-D167 PolarHBondContact O-N 3.41Å; T164-D167 PolarHBondContact OG1-OD2 3.02Å; V165-D167 VanDerWaalsContact C-N 3.28Å; V165-D167 PolarHBondContact O-N 3.26Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3.13Å; D167-I170 PolarHBondContact O-N 2.92Å; D167-L171 WeakPolarHBondContact O-CB 3.49Å; D167-L171 PolarHBondContact O-N 3.48Å; D167-Q512 VanDerWaalsContact CG-NE2 3.33Å; D167-Q512 PolarHBondContact OD1-NE2 2.95Å; D167-Q512 PolarHBondContact OD2-NE2 3.26Å
168	T	98.1	Very high	96.2	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-31.8	175.4	51.9	0	0	0	0	112.4	I162 V165 L171 F172 T196 T200	I162-T168 HydrophobicContact CD1-CG2 4.09Å; I162-T168 HydrophobicContact CG2-CG2 3.85Å; V165-T168 PolarHBondContact O-N 2.99Å; V165-T168 PolarHBondContact O-OG1 2.8Å; T168-L171 WeakPolarHBondContact O-CB 3.44Å; T168-L171 PolarHBondContact O-N 3.47Å; T168-F172 VanDerWaalsContact O-CD2 3.28Å; T168-F172 WeakPolarHBondContact O-CD2 3.48Å; T168-F172 PolarHBondContact O-N 3.45Å; T168-T196 WeakPolarHBondContact CG2-OG1 3.4Å; T168-T196 PolarHBondContact OG1-O 2.71Å; T168-T200 WeakPolarHBondContact CB-OG1 3.32Å; T168-T200 PolarHBondContact OG1-OG1 3.41Å
169	K	98.6	Very high	96.4	Very high	62 Å²	62	29.8 Å²	29.8	27%	0.27	16%	0.161	S	C	.	.	H	α-helix	trans	-63.2	-43.2	172.6	-75.8	169.1	64.8	176.8	0	112.2	V165 E166 D167 F172 D173 T200 E203	V165-K169 HydrophobicContact CG2-CD 4.26Å; V165-K169 HydrophobicContact CG2-CG 4.38Å; V165-K169 WeakPolarHBondContact O-CB 3.36Å; V165-K169 VanDerWaalsContact O-CG 3.23Å; V165-K169 WeakPolarHBondContact O-CG 3.39Å; V165-K169 PolarHBondContact O-N 3.35Å; E166-K169 PolarHBondContact O-N 3.35Å; E166-K169 IonicContact OE1-NZ 2.69Å; E166-K169 PolarHBondContact OE1-NZ 3.1Å; E166-K169 WeakPolarHBondContact OE2-CD 3.42Å; E166-K169 WeakPolarHBondContact OE2-CE 3.13Å; E166-K169 IonicContact OE2-NZ 2.83Å; E166-K169 PolarHBondContact OE2-NZ 3Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3.13Å; K169-F172 CarbonylContact O-C 3.58Å; K169-D173 PolarHBondContact O-N 3.03Å; K169-T200 HydrophobicContact CG-CG2 4.07Å; K169-E203 WeakPolarHBondContact CD-OE2 3.22Å; K169-E203 WeakPolarHBondContact CE-OE2 3.2Å; K169-E203 IonicContact NZ-OE2 2.83Å; K169-E203 PolarHBondContact NZ-OE2 2.94Å
170	I	98.1	Very high	96.4	Very high	57 Å²	57	30.7 Å²	30.7	29%	0.292	17%	0.166	S	C	.	.	H	α-helix	trans	-65.9	-44.1	174.5	-64	163.7	0	0	0	110.2	V114 E115 N118 E166 D167 F172 D173	V114-I170 HydrophobicContact CB-CG2 4.26Å; V114-I170 HydrophobicContact CG2-CB 3.89Å; V114-I170 HydrophobicContact CG2-CG2 3.61Å; E115-I170 HydrophobicContact CG-CG2 3.92Å; N118-I170 PolarHBondContact ND2-O 3.45Å; E166-I170 WeakPolarHBondContact O-CG1 3.43Å; E166-I170 PolarHBondContact O-N 3.25Å; E166-I170 VanDerWaalsContact O-N 3.12Å; D167-I170 PolarHBondContact O-N 2.92Å; I170-F172 PolarHBondContact O-N 2.79Å; I170-D173 WeakPolarHBondContact O-CB 3.46Å; I170-D173 PolarHBondContact O-N 2.95Å; I170-D173 VanDerWaalsContact O-N 3.15Å
171	L	97.1	Very high	96.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-55.7	-39.5	179.6	-174.7	64.2	0	0	0	112.4	V114 N118 Y121 V134 V160 D167 T168	V114-L171 HydrophobicContact CB-CB 4.13Å; V114-L171 HydrophobicContact CB-CD1 4.23Å; V114-L171 HydrophobicContact CG1-CB 4.13Å; V114-L171 HydrophobicContact CG1-CD1 4.26Å; N118-L171 WeakPolarHBondContact CB-O 3.42Å; N118-L171 PolarHBondContact ND2-O 3.35Å; Y121-L171 HydrophobicContact CD2-CD1 4.4Å; Y121-L171 HydrophobicContact CE2-CD1 3.67Å; Y121-L171 HydrophobicContact CE2-CG 4.15Å; V134-L171 HydrophobicContact CG1-CD2 3.86Å; V134-L171 HydrophobicContact CG2-CD2 4.27Å; V160-L171 HydrophobicContact CG1-CD1 4.29Å; V160-L171 HydrophobicContact CG2-CD2 4.44Å; D167-L171 WeakPolarHBondContact O-CB 3.49Å; D167-L171 PolarHBondContact O-N 3.48Å; T168-L171 WeakPolarHBondContact O-CB 3.44Å; T168-L171 PolarHBondContact O-N 3.47Å
172	F	97.5	Very high	96.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	14.3	-179.7	-60.8	-61.8	0	0	0	114.4	V134 T168 K169 I170 G174 I175 L177 V182 F197 T200 Q204	V134-F172 HydrophobicContact CG2-CE1 4.37Å; V134-F172 HydrophobicContact CG2-CZ 3.95Å; T168-F172 VanDerWaalsContact O-CD2 3.28Å; T168-F172 WeakPolarHBondContact O-CD2 3.48Å; T168-F172 PolarHBondContact O-N 3.45Å; K169-F172 CarbonylContact O-C 3.58Å; I170-F172 PolarHBondContact O-N 2.79Å; F172-G174 PolarHBondContact O-N 3.49Å; F172-I175 HydrophobicContact CD1-CD1 4.33Å; F172-I175 PolarHBondContact O-N 3.12Å; F172-L177 HydrophobicContact CB-CD1 4.44Å; F172-L177 HydrophobicContact CB-CD2 4.4Å; F172-L177 HydrophobicContact CD1-CD2 3.97Å; F172-L177 HydrophobicContact CE1-CD2 4.41Å; F172-L177 HydrophobicContact CG-CD2 4.06Å; F172-V182 HydrophobicContact CE1-CG1 3.97Å; F172-V182 HydrophobicContact CE1-CG2 4.17Å; F172-V182 HydrophobicContact CZ-CG1 3.74Å; F172-F197 AromaticContact CE2-CD2 3.88Å; F172-F197 HydrophobicContact CE2-CD2 3.88Å; F172-F197 HydrophobicContact CE2-CE2 4.29Å; F172-F197 HydrophobicContact CZ-CD2 4.35Å; F172-F197 HydrophobicContact CZ-CE2 4.43Å; F172-T200 HydrophobicContact CB-CG2 4.24Å; F172-T200 HydrophobicContact CD2-CG2 4.21Å; F172-Q204 PolarHBondContact O-NE2 3.05Å; F172-Q204 VanDerWaalsContact O-NE2 3.11Å
173	D	98	Very high	96.1	Very high	99 Å²	99	32.6 Å²	32.6	53%	0.529	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	126.1	177.7	176.9	49.7	0	0	0	110.8	N118 K122 K169 I170 I175	N118-D173 PolarHBondContact ND2-N 2.76Å; N118-D173 PolarHBondContact ND2-O 2.63Å; K122-D173 WeakPolarHBondContact CE-O 3.39Å; K122-D173 PolarHBondContact NZ-O 3.35Å; K169-D173 PolarHBondContact O-N 3.03Å; I170-D173 WeakPolarHBondContact O-CB 3.46Å; I170-D173 PolarHBondContact O-N 2.95Å; I170-D173 VanDerWaalsContact O-N 3.15Å; D173-I175 PolarHBondContact O-N 2.8Å
174	G	95.8	Very high	96	Very high	59 Å²	59	32.8 Å²	32.8	61%	0.608	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	13.7	-175.5	0	0	0	0	0	115.6	F172	F172-G174 PolarHBondContact O-N 3.49Å
175	I	95.1	Very high	95.7	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.181	C	C	.	.			trans	-105.6	114.7	173.3	-59.2	-177	0	0	0	108.6	Y121 K122 L132 F172 D173 L177 M180 Q204	Y121-I175 HydrophobicContact CD2-CD1 4.06Å; Y121-I175 HydrophobicContact CG-CD1 4.44Å; K122-I175 HydrophobicContact CG-CG1 4.46Å; L132-I175 HydrophobicContact CD1-CD1 4Å; L132-I175 HydrophobicContact CD1-CG2 3.74Å; F172-I175 HydrophobicContact CD1-CD1 4.33Å; F172-I175 PolarHBondContact O-N 3.12Å; D173-I175 PolarHBondContact O-N 2.8Å; I175-L177 PolarHBondContact O-N 2.78Å; I175-L177 VanDerWaalsContact O-N 3.08Å; I175-M180 HydrophobicContact CG2-CB 4.32Å; I175-M180 HydrophobicContact CG2-CG 3.76Å; I175-Q204 PolarHBondContact O-NE2 3.05Å; I175-Q204 PolarHBondContact O-OE1 3.42Å
176	P	93.9	Very high	95.6	Very high	48 Å²	48	33 Å²	33	31%	0.312	18%	0.181	S	C	.	.			trans	-75	98.6	-175.9	28.8	-33.6	0	0	0	111.8	E178 K179 M180	P176-E178 VanDerWaalsContact C-OE2 3.23Å; P176-E178 WeakPolarHBondContact CA-OE2 3.42Å; P176-E178 WeakPolarHBondContact CB-OE2 3.17Å; P176-E178 PolarHBondContact O-N 2.92Å; P176-K179 HydrophobicContact CB-CB 4.49Å; P176-K179 HydrophobicContact CB-CD 4.36Å; P176-K179 HydrophobicContact CB-CG 4.49Å; P176-K179 HydrophobicContact CG-CB 4.34Å; P176-K179 HydrophobicContact CG-CD 4.3Å; P176-K179 PolarHBondContact O-N 3.4Å; P176-M180 HydrophobicContact CG-CG 4.49Å; P176-M180 WeakPolarHBondContact O-CG 3.48Å; P176-M180 PolarHBondContact O-N 3.23Å; P176-M180 VanDerWaalsContact O-N 3.08Å
177	L	95.9	Very high	95.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.7	-175.7	-69.8	179.5	0	0	0	114	F172 I175 K179 V182 F197 T200 Q204 V206 L211	F172-L177 HydrophobicContact CB-CD1 4.44Å; F172-L177 HydrophobicContact CB-CD2 4.4Å; F172-L177 HydrophobicContact CD1-CD2 3.97Å; F172-L177 HydrophobicContact CE1-CD2 4.41Å; F172-L177 HydrophobicContact CG-CD2 4.06Å; I175-L177 PolarHBondContact O-N 2.78Å; I175-L177 VanDerWaalsContact O-N 3.08Å; L177-K179 VanDerWaalsContact C-N 3.25Å; L177-K179 PolarHBondContact O-N 2.83Å; L177-V182 HydrophobicContact CD2-CG2 3.78Å; L177-F197 HydrophobicContact CD1-CE2 4.2Å; L177-F197 HydrophobicContact CD2-CE2 3.95Å; L177-T200 HydrophobicContact CD1-CG2 4.19Å; L177-Q204 VanDerWaalsContact CG-OE1 3.29Å; L177-V206 HydrophobicContact CB-CG2 4.46Å; L177-L211 HydrophobicContact CB-CD2 4.04Å
178	E	94.1	Very high	95.6	Very high	77 Å²	77	31 Å²	31	36%	0.36	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.4	173.4	80.6	-69.8	175.7	0	0	113.6	P176 V206	P176-E178 VanDerWaalsContact C-OE2 3.23Å; P176-E178 WeakPolarHBondContact CA-OE2 3.42Å; P176-E178 WeakPolarHBondContact CB-OE2 3.17Å; P176-E178 PolarHBondContact O-N 2.92Å; E178-V206 HydrophobicContact CB-CG1 3.79Å; E178-V206 HydrophobicContact CB-CG2 4.08Å
179	K	90.6	Very high	95.6	Very high	157 Å²	157	30.9 Å²	30.9	68%	0.683	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-25.1	179.4	-60.8	179.5	-172.9	171.7	0	112.9	P176 L177	P176-K179 HydrophobicContact CB-CB 4.49Å; P176-K179 HydrophobicContact CB-CD 4.36Å; P176-K179 HydrophobicContact CB-CG 4.49Å; P176-K179 HydrophobicContact CG-CB 4.34Å; P176-K179 HydrophobicContact CG-CD 4.3Å; P176-K179 PolarHBondContact O-N 3.4Å; L177-K179 VanDerWaalsContact C-N 3.25Å; L177-K179 PolarHBondContact O-N 2.83Å
180	M	90.5	Very high	95.6	Very high	20 Å²	20	28.1 Å²	28.1	10%	0.099	16%	0.161	C	C	.	.			trans	-94.1	132.1	-175.3	-63.3	-54.3	-63.2	0	0	111.4	I125 L132 I175 P176 T212	I125-M180 HydrophobicContact CD1-CE 3.72Å; I125-M180 HydrophobicContact CD1-SD 4.31Å; I125-M180 HydrophobicContact CG1-CE 3.78Å; L132-M180 HydrophobicContact CD1-CE 4.18Å; L132-M180 HydrophobicContact CD2-CE 4.32Å; L132-M180 HydrophobicContact CG-CE 3.82Å; I175-M180 HydrophobicContact CG2-CB 4.32Å; I175-M180 HydrophobicContact CG2-CG 3.76Å; P176-M180 HydrophobicContact CG-CG 4.49Å; P176-M180 WeakPolarHBondContact O-CG 3.48Å; P176-M180 PolarHBondContact O-N 3.23Å; P176-M180 VanDerWaalsContact O-N 3.08Å; M180-T212 PolarHBondContact O-OG1 2.88Å
181	S	92.7	Very high	95.7	Very high	25 Å²	25	25.5 Å²	25.5	18%	0.175	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.1	166.9	-170.9	0	0	0	0	109.3	R106 L132 T212	R106-S181 PolarHBondContact NH2-OG 3.46Å; L132-S181 PolarHBondContact N-O 3.18Å; S181-T212 WeakPolarHBondContact CA-O 3.3Å; S181-T212 WeakPolarHBondContact CA-OG1 3.35Å
182	V	94.1	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.6	-175.8	-176.1	0	0	0	0	110.4	V134 F172 L177 M184 F197 T212 G213 T214	V134-V182 HydrophobicContact CG2-CG1 4.11Å; F172-V182 HydrophobicContact CE1-CG1 3.97Å; F172-V182 HydrophobicContact CE1-CG2 4.17Å; F172-V182 HydrophobicContact CZ-CG1 3.74Å; L177-V182 HydrophobicContact CD2-CG2 3.78Å; V182-M184 HydrophobicContact CG1-CG 4.01Å; V182-F197 HydrophobicContact CB-CE2 4.01Å; V182-F197 HydrophobicContact CB-CZ 4.2Å; V182-F197 HydrophobicContact CG1-CE2 4.16Å; V182-F197 HydrophobicContact CG2-CE2 4.11Å; V182-F197 HydrophobicContact CG2-CZ 4.43Å; V182-T212 PolarHBondContact N-O 3.18Å; V182-T212 VanDerWaalsContact N-O 3.13Å; V182-G213 CarbonylContact O-C 3.35Å; V182-G213 WeakPolarHBondContact O-CA 3.23Å; V182-T214 PolarHBondContact O-N 2.85Å
183	S	94.4	Very high	95.8	Very high	18 Å²	18	25.6 Å²	25.6	13%	0.126	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.3	173.9	-159.9	0	0	0	0	109.5	L132 S133 V134 T214	L132-S183 PolarHBondContact O-N 3.35Å; S133-S183 CarbonylContact C-O 3.05Å; S133-S183 VanDerWaalsContact CA-O 3.23Å; S133-S183 WeakPolarHBondContact CA-O 3.33Å; V134-S183 PolarHBondContact N-O 3.45Å; S183-T214 CarbonylContact C-O 3.59Å; S183-T214 VanDerWaalsContact CA-O 3.3Å; S183-T214 WeakPolarHBondContact CA-O 3.46Å
184	M	96	Very high	95.9	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.02	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.7	179.7	-65.1	-178.3	-69.4	0	0	109.4	F136 V182 M186 I193 L194 F197 T214 I215 Q216 F254	F136-M184 HydrophobicContact CE2-CB 4.01Å; F136-M184 HydrophobicContact CE2-CG 4.48Å; F136-M184 HydrophobicContact CZ-CB 4.19Å; F136-M184 HydrophobicContact CZ-CG 4.21Å; F136-M184 HydrophobicContact CZ-SD 4.45Å; V182-M184 HydrophobicContact CG1-CG 4.01Å; M184-M186 VanDerWaalsContact C-N 3.35Å; M184-M186 PolarHBondContact O-N 3.35Å; M184-M186 VanDerWaalsContact O-N 3.15Å; M184-I193 HydrophobicContact SD-CG2 4.45Å; M184-L194 HydrophobicContact CE-CD1 4Å; M184-F197 HydrophobicContact CE-CB 3.78Å; M184-F197 HydrophobicContact CE-CD1 3.6Å; M184-F197 HydrophobicContact CE-CD2 4.05Å; M184-F197 HydrophobicContact CE-CE1 4.17Å; M184-F197 HydrophobicContact CE-CG 3.52Å; M184-F197 HydrophobicContact SD-CB 3.81Å; M184-F197 HydrophobicContact SD-CD1 4.49Å; M184-F197 HydrophobicContact SD-CD2 3.92Å; M184-F197 HydrophobicContact SD-CG 3.82Å; M184-T214 PolarHBondContact N-O 3.14Å; M184-I215 HydrophobicContact CB-CG1 4.31Å; M184-I215 HydrophobicContact CE-CD1 4.24Å; M184-I215 CarbonylContact O-C 3.54Å; M184-I215 VanDerWaalsContact O-CA 3.31Å; M184-I215 WeakPolarHBondContact O-CA 3.12Å; M184-Q216 PolarHBondContact O-N 3.17Å; M184-F254 HydrophobicContact CE-CE2 4.42Å; M184-F254 HydrophobicContact CE-CZ 3.9Å
185	T	93.4	Very high	96	Very high	7 Å²	7	18 Å²	18	4%	0.043	9%	0.094	C	C	.	.			trans	-91.3	77.9	177.2	40.4	0	0	0	0	111	Y108 V134 H141 Q216	Y108-T185 HydrophobicContact CD2-CG2 4.44Å; Y108-T185 HydrophobicContact CE2-CG2 3.22Å; Y108-T185 WeakPolarHBondContact CE2-OG1 3.25Å; Y108-T185 WeakPolarHBondContact OH-CB 3.2Å; Y108-T185 WeakPolarHBondContact OH-CG2 3.36Å; Y108-T185 PolarHBondContact OH-OG1 3.22Å; V134-T185 PolarHBondContact O-OG1 3.03Å; H141-T185 PolarHBondContact CE1-O 2.96Å; T185-Q216 HydrophobicContact CG2-CB 4.38Å
186	M	97.7	Very high	96.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.			trans	-127.2	141.8	176.5	-177.4	55.3	56.7	0	0	109.6	F136 T140 H141 M184 A189 V190 I193 N217	F136-M186 HydrophobicContact CB-CE 3.6Å; F136-M186 HydrophobicContact CD1-CE 4.23Å; F136-M186 HydrophobicContact CD2-CB 4.32Å; F136-M186 HydrophobicContact CD2-CE 3.51Å; F136-M186 HydrophobicContact CE2-CB 4.15Å; F136-M186 HydrophobicContact CE2-CE 4.22Å; F136-M186 HydrophobicContact CG-CE 3.5Å; T140-M186 HydrophobicContact CG2-CE 3.93Å; H141-M186 HydrophobicContact CB-CE 4.46Å; M184-M186 VanDerWaalsContact C-N 3.35Å; M184-M186 PolarHBondContact O-N 3.35Å; M184-M186 VanDerWaalsContact O-N 3.15Å; M186-A189 HydrophobicContact SD-CB 3.92Å; M186-V190 HydrophobicContact CG-CB 4.41Å; M186-I193 HydrophobicContact CB-CB 4.44Å; M186-I193 HydrophobicContact CB-CG2 4.11Å; M186-I193 HydrophobicContact CE-CG1 4.04Å; M186-I193 HydrophobicContact CG-CB 3.87Å; M186-I193 HydrophobicContact CG-CG1 3.93Å; M186-I193 HydrophobicContact CG-CG2 4.07Å; M186-I193 HydrophobicContact SD-CG1 4.31Å; M186-N217 PolarHBondContact O-N 2.84Å
187	N	98.4	Very high	96.4	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.011	8%	0.08	C	C	.	.	S	Bend	trans	-135.9	-63.4	-179.5	-48.5	-80.1	0	0	0	111.4	V190 Q216 N217 D218 K221 E222	N187-V190 WeakPolarHBondContact O-CB 3.23Å; N187-V190 WeakPolarHBondContact O-CG1 3.38Å; N187-V190 PolarHBondContact O-N 3.47Å; N187-Q216 PolarHBondContact ND2-OE1 2.74Å; N187-Q216 WeakPolarHBondContact OD1-CB 3.47Å; N187-Q216 VanDerWaalsContact OD1-CG 3.29Å; N187-Q216 WeakPolarHBondContact OD1-CG 3.37Å; N187-Q216 PolarHBondContact OD1-OE1 3.02Å; N187-N217 PolarHBondContact OD1-N 2.94Å; N187-N217 VanDerWaalsContact OD1-N 3.11Å; N187-D218 PolarHBondContact OD1-N 2.77Å; N187-D218 PolarHBondContact OD1-O 3.23Å; N187-K221 PolarHBondContact ND2-NZ 2.86Å; N187-K221 VanDerWaalsContact ND2-NZ 3.17Å; N187-K221 PolarHBondContact OD1-NZ 2.59Å; N187-E222 HydrophobicContact CB-CG 3.76Å; N187-E222 WeakPolarHBondContact CB-OE1 3.48Å; N187-E222 PolarHBondContact ND2-OE1 2.99Å
188	G	98	Very high	96.6	Very high	6 Å²	6	15.8 Å²	15.8	6%	0.062	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-63.8	-179.7	0	0	0	0	0	112.7	V190 T228 I230	G188-V190 PolarHBondContact O-N 3.26Å; G188-T228 VanDerWaalsContact CA-O 3.24Å; G188-T228 WeakPolarHBondContact CA-O 3.47Å; G188-I230 VanDerWaalsContact C-CD1 3.4Å
189	A	98.6	Very high	96.8	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.008	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	35.4	176.5	0	0	0	0	0	113.3	T140 H141 M186 I191 P192 I193 I230 V560	T140-A189 WeakPolarHBondContact O-CB 3.5Å; H141-A189 PolarHBondContact O-N 3.33Å; M186-A189 HydrophobicContact SD-CB 3.92Å; A189-I191 VanDerWaalsContact C-N 3.27Å; A189-I191 PolarHBondContact O-N 2.92Å; A189-P192 HydrophobicContact CB-CG 4.01Å; A189-P192 VanDerWaalsContact O-CD 3.26Å; A189-P192 WeakPolarHBondContact O-CD 3.47Å; A189-P192 WeakPolarHBondContact O-CG 3.34Å; A189-I193 HydrophobicContact CB-CG1 4.42Å; A189-I193 WeakPolarHBondContact O-CB 3.24Å; A189-I193 VanDerWaalsContact O-CG1 3.27Å; A189-I193 WeakPolarHBondContact O-CG1 3.37Å; A189-I193 PolarHBondContact O-N 2.9Å; A189-I230 HydrophobicContact CB-CD1 4.15Å; A189-V560 HydrophobicContact CB-CG1 4.29Å
190	V	98.8	Very high	97.2	Very high	3 Å²	3	4.7 Å²	4.7	2%	0.018	3%	0.03	C	C	.	.	H	α-helix	trans	-58.1	-38	-176.7	63.9	0	0	0	0	113.1	M186 N187 G188 L194 I215 N217 I239 I243	M186-V190 HydrophobicContact CG-CB 4.41Å; N187-V190 WeakPolarHBondContact O-CB 3.23Å; N187-V190 WeakPolarHBondContact O-CG1 3.38Å; N187-V190 PolarHBondContact O-N 3.47Å; G188-V190 PolarHBondContact O-N 3.26Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 PolarHBondContact O-N 3.36Å; V190-I215 HydrophobicContact CG2-CD1 3.45Å; V190-I215 VanDerWaalsContact CG2-CD1 3.45Å; V190-I215 HydrophobicContact CG2-CG1 3.95Å; V190-N217 HydrophobicContact CG2-CB 3.92Å; V190-I239 HydrophobicContact CG1-CG2 3.76Å; V190-I243 HydrophobicContact CB-CD1 4.36Å; V190-I243 HydrophobicContact CG1-CD1 3.67Å; V190-I243 HydrophobicContact CG2-CD1 3.77Å
191	I	98.8	Very high	97.6	Very high	3 Å²	3	3.7 Å²	3.7	2%	0.015	3%	0.025	C	C	.	.	H	α-helix	trans	-62.2	-60.7	-178	-72.3	-63.6	0	0	0	112.1	A189 I193 A195 I239 I243 I546 L547 A550 I563 L567	A189-I191 VanDerWaalsContact C-N 3.27Å; A189-I191 PolarHBondContact O-N 2.92Å; I191-I193 VanDerWaalsContact C-N 3.29Å; I191-I193 PolarHBondContact O-N 3.48Å; I191-A195 VanDerWaalsContact O-CB 3.28Å; I191-A195 WeakPolarHBondContact O-CB 3.34Å; I191-A195 PolarHBondContact O-N 3.48Å; I191-I239 HydrophobicContact CD1-CG2 3.86Å; I191-I239 HydrophobicContact CG1-CG1 4.36Å; I191-I239 HydrophobicContact CG1-CG2 3.6Å; I191-I243 HydrophobicContact CD1-CD1 3.97Å; I191-I243 HydrophobicContact CD1-CG1 3.87Å; I191-I546 HydrophobicContact CD1-CB 4.45Å; I191-I546 HydrophobicContact CD1-CG2 3.83Å; I191-I546 HydrophobicContact CG1-CG2 3.93Å; I191-I546 HydrophobicContact CG2-CG2 3.99Å; I191-L547 HydrophobicContact CD1-CB 4.03Å; I191-L547 HydrophobicContact CD1-CD1 4.35Å; I191-A550 HydrophobicContact CG2-CB 3.26Å; I191-I563 HydrophobicContact CG2-CG2 4.11Å; I191-L567 HydrophobicContact CG2-CD1 4.44Å
192	P	98.8	Very high	97.8	Very high	3 Å²	3	4.6 Å²	4.6	2%	0.019	3%	0.027	C	C	.	.	H	α-helix	trans	-64.1	-34.6	-179	23.8	-34.2	0	0	0	112.5	A189 A195 T196 V560 I563	A189-P192 HydrophobicContact CB-CG 4.01Å; A189-P192 VanDerWaalsContact O-CD 3.26Å; A189-P192 WeakPolarHBondContact O-CD 3.47Å; A189-P192 WeakPolarHBondContact O-CG 3.34Å; P192-A195 PolarHBondContact O-N 2.88Å; P192-T196 WeakPolarHBondContact O-CG2 3.3Å; P192-T196 PolarHBondContact O-N 3.47Å; P192-T196 PolarHBondContact O-OG1 2.97Å; P192-V560 HydrophobicContact CB-CB 4.35Å; P192-V560 HydrophobicContact CB-CG1 4.37Å; P192-V560 HydrophobicContact CB-CG2 4.11Å; P192-V560 HydrophobicContact CG-CG1 3.99Å; P192-I563 HydrophobicContact CB-CB 4.02Å; P192-I563 HydrophobicContact CB-CD1 3.98Å; P192-I563 HydrophobicContact CB-CG2 3.87Å; P192-I563 HydrophobicContact CG-CG2 4.28Å
193	I	98.8	Very high	98	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-72.7	-40.7	-178.1	-63.7	-66.4	0	0	0	112.5	F136 T140 I162 M184 M186 A189 I191 A195 T196 F197 V560	F136-I193 HydrophobicContact CE1-CD1 4.43Å; F136-I193 HydrophobicContact CE1-CG2 3.92Å; F136-I193 HydrophobicContact CE2-CG2 4.22Å; F136-I193 HydrophobicContact CZ-CG2 3.63Å; T140-I193 HydrophobicContact CG2-CD1 3.37Å; T140-I193 HydrophobicContact CG2-CG1 4.07Å; I162-I193 HydrophobicContact CB-CD1 4.01Å; I162-I193 HydrophobicContact CG2-CD1 3.73Å; M184-I193 HydrophobicContact SD-CG2 4.45Å; M186-I193 HydrophobicContact CB-CB 4.44Å; M186-I193 HydrophobicContact CB-CG2 4.11Å; M186-I193 HydrophobicContact CE-CG1 4.04Å; M186-I193 HydrophobicContact CG-CB 3.87Å; M186-I193 HydrophobicContact CG-CG1 3.93Å; M186-I193 HydrophobicContact CG-CG2 4.07Å; M186-I193 HydrophobicContact SD-CG1 4.31Å; A189-I193 HydrophobicContact CB-CG1 4.42Å; A189-I193 WeakPolarHBondContact O-CB 3.24Å; A189-I193 VanDerWaalsContact O-CG1 3.27Å; A189-I193 WeakPolarHBondContact O-CG1 3.37Å; A189-I193 PolarHBondContact O-N 2.9Å; I191-I193 VanDerWaalsContact C-N 3.29Å; I191-I193 PolarHBondContact O-N 3.48Å; I193-A195 VanDerWaalsContact C-N 3.3Å; I193-T196 PolarHBondContact O-OG1 3.32Å; I193-F197 PolarHBondContact O-N 3.28Å; I193-F197 VanDerWaalsContact O-N 3.1Å; I193-V560 HydrophobicContact CD1-CG2 3.99Å
194	L	98.8	Very high	98.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.6	-37.4	173.3	-173.3	54.1	0	0	0	111	M184 V190 F197 I198 I215 I243 F254 L547	M184-L194 HydrophobicContact CE-CD1 4Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 PolarHBondContact O-N 3.36Å; L194-F197 HydrophobicContact CD1-CD1 4.29Å; L194-F197 PolarHBondContact O-N 3.09Å; L194-I198 HydrophobicContact CD1-CD1 4.36Å; L194-I198 HydrophobicContact CD1-CG1 4.5Å; L194-I198 HydrophobicContact CG-CD1 3.99Å; L194-I198 WeakPolarHBondContact O-CD1 3.38Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.22Å; L194-I198 PolarHBondContact O-N 3.32Å; L194-I215 HydrophobicContact CB-CD1 3.74Å; L194-I215 HydrophobicContact CD1-CD1 4.08Å; L194-I215 HydrophobicContact CD2-CD1 4.32Å; L194-I215 HydrophobicContact CG-CD1 4.26Å; L194-I243 HydrophobicContact CD2-CG2 3.98Å; L194-F254 HydrophobicContact CD1-CE1 4.01Å; L194-F254 HydrophobicContact CD1-CZ 3.98Å; L194-L547 HydrophobicContact CB-CD1 4.07Å; L194-L547 HydrophobicContact CD2-CD1 4.09Å; L194-L547 HydrophobicContact CD2-CD2 3.56Å; L194-L547 HydrophobicContact CG-CD1 4.07Å; L194-L547 HydrophobicContact CG-CD2 4.2Å
195	A	98.9	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-47.4	176.2	0	0	0	0	0	112.3	I191 P192 I193 F197 I198 V199 L547 A550 V551 A554	I191-A195 VanDerWaalsContact O-CB 3.28Å; I191-A195 WeakPolarHBondContact O-CB 3.34Å; I191-A195 PolarHBondContact O-N 3.48Å; P192-A195 PolarHBondContact O-N 2.88Å; I193-A195 VanDerWaalsContact C-N 3.3Å; A195-F197 VanDerWaalsContact C-N 3.33Å; A195-F197 PolarHBondContact O-N 2.85Å; A195-I198 PolarHBondContact O-N 3.04Å; A195-V199 WeakPolarHBondContact O-CG2 3.42Å; A195-V199 PolarHBondContact O-N 3.3Å; A195-L547 HydrophobicContact CB-CD1 4.46Å; A195-A550 HydrophobicContact CB-CB 3.95Å; A195-A550 WeakPolarHBondContact CB-O 3.21Å; A195-V551 HydrophobicContact CB-CG2 4.1Å; A195-A554 HydrophobicContact CB-CB 3.91Å
196	T	98.8	Very high	98.6	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-64.7	-36.3	177.5	56.2	0	0	0	0	112.1	V165 T168 P192 I193 T200 A554	V165-T196 HydrophobicContact CB-CG2 4.09Å; T168-T196 WeakPolarHBondContact CG2-OG1 3.4Å; T168-T196 PolarHBondContact OG1-O 2.71Å; P192-T196 WeakPolarHBondContact O-CG2 3.3Å; P192-T196 PolarHBondContact O-N 3.47Å; P192-T196 PolarHBondContact O-OG1 2.97Å; I193-T196 PolarHBondContact O-OG1 3.32Å; T196-T200 WeakPolarHBondContact O-CB 3.2Å; T196-T200 PolarHBondContact O-N 2.93Å; T196-T200 PolarHBondContact O-OG1 2.87Å; T196-A554 HydrophobicContact CG2-CB 4.09Å
197	F	98.8	Very high	98.6	Very high	2 Å²	2	16 Å²	16	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-46.9	171.8	175.3	-105.4	0	0	0	112.5	F172 L177 V182 M184 I193 L194 A195 T200 G201 L211 F254	F172-F197 AromaticContact CE2-CD2 3.88Å; F172-F197 HydrophobicContact CE2-CD2 3.88Å; F172-F197 HydrophobicContact CE2-CE2 4.29Å; F172-F197 HydrophobicContact CZ-CD2 4.35Å; F172-F197 HydrophobicContact CZ-CE2 4.43Å; L177-F197 HydrophobicContact CD1-CE2 4.2Å; L177-F197 HydrophobicContact CD2-CE2 3.95Å; V182-F197 HydrophobicContact CB-CE2 4.01Å; V182-F197 HydrophobicContact CB-CZ 4.2Å; V182-F197 HydrophobicContact CG1-CE2 4.16Å; V182-F197 HydrophobicContact CG2-CE2 4.11Å; V182-F197 HydrophobicContact CG2-CZ 4.43Å; M184-F197 HydrophobicContact CE-CB 3.78Å; M184-F197 HydrophobicContact CE-CD1 3.6Å; M184-F197 HydrophobicContact CE-CD2 4.05Å; M184-F197 HydrophobicContact CE-CE1 4.17Å; M184-F197 HydrophobicContact CE-CG 3.52Å; M184-F197 HydrophobicContact SD-CB 3.81Å; M184-F197 HydrophobicContact SD-CD1 4.49Å; M184-F197 HydrophobicContact SD-CD2 3.92Å; M184-F197 HydrophobicContact SD-CG 3.82Å; I193-F197 PolarHBondContact O-N 3.28Å; I193-F197 VanDerWaalsContact O-N 3.1Å; L194-F197 HydrophobicContact CD1-CD1 4.29Å; L194-F197 PolarHBondContact O-N 3.09Å; A195-F197 VanDerWaalsContact C-N 3.33Å; A195-F197 PolarHBondContact O-N 2.85Å; F197-T200 WeakPolarHBondContact O-CB 3.34Å; F197-T200 PolarHBondContact O-N 3.34Å; F197-G201 PolarHBondContact O-N 3.3Å; F197-L211 HydrophobicContact CE1-CB 4.32Å; F197-L211 HydrophobicContact CE1-CD1 4.09Å; F197-L211 HydrophobicContact CE1-CD2 4.41Å; F197-L211 HydrophobicContact CZ-CD2 4.31Å; F197-F254 HydrophobicContact CD1-CE2 4.48Å; F197-F254 HydrophobicContact CE1-CD2 4.48Å; F197-F254 AromaticContact CE1-CE2 3.83Å; F197-F254 HydrophobicContact CE1-CE2 3.83Å; F197-F254 HydrophobicContact CZ-CE2 4.49Å
198	I	98.8	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-50.4	177.7	-71.7	162.1	0	0	0	110.6	L194 A195 T200 G201 E202 K208 Y246 M251 L547 V551	L194-I198 HydrophobicContact CD1-CD1 4.36Å; L194-I198 HydrophobicContact CD1-CG1 4.5Å; L194-I198 HydrophobicContact CG-CD1 3.99Å; L194-I198 WeakPolarHBondContact O-CD1 3.38Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.22Å; L194-I198 PolarHBondContact O-N 3.32Å; A195-I198 PolarHBondContact O-N 3.04Å; I198-T200 VanDerWaalsContact C-N 3.28Å; I198-T200 PolarHBondContact O-N 3.04Å; I198-G201 PolarHBondContact O-N 2.69Å; I198-G201 VanDerWaalsContact O-N 3.13Å; I198-E202 WeakPolarHBondContact O-CG 3.5Å; I198-E202 PolarHBondContact O-N 3.07Å; I198-K208 HydrophobicContact CG2-CD 3.74Å; I198-K208 HydrophobicContact CG2-CG 4.06Å; I198-Y246 HydrophobicContact CD1-CE1 3.79Å; I198-M251 HydrophobicContact CD1-SD 3.75Å; I198-M251 HydrophobicContact CG1-CE 4.21Å; I198-M251 HydrophobicContact CG1-SD 3.81Å; I198-L547 HydrophobicContact CD1-CD1 4.42Å; I198-L547 HydrophobicContact CD1-CD2 4.41Å; I198-V551 HydrophobicContact CB-CG2 4.19Å; I198-V551 HydrophobicContact CD1-CG2 3.87Å; I198-V551 HydrophobicContact CG2-CG1 4.16Å; I198-V551 HydrophobicContact CG2-CG2 3.99Å
199	V	98.9	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-36.1	-179.8	178.4	0	0	0	0	111	V165 A195 G201 E202 E203 V551 A554 R555	V165-V199 HydrophobicContact CG2-CB 3.86Å; V165-V199 HydrophobicContact CG2-CG1 3.73Å; A195-V199 WeakPolarHBondContact O-CG2 3.42Å; A195-V199 PolarHBondContact O-N 3.3Å; V199-G201 VanDerWaalsContact C-N 3.35Å; V199-G201 PolarHBondContact O-N 3.1Å; V199-E202 PolarHBondContact O-N 2.58Å; V199-E203 HydrophobicContact CG1-CG 4.24Å; V199-E203 WeakPolarHBondContact O-CB 3.35Å; V199-E203 WeakPolarHBondContact O-CG 3.36Å; V199-E203 PolarHBondContact O-N 3.46Å; V199-V551 HydrophobicContact CG2-CG1 3.9Å; V199-V551 WeakPolarHBondContact CG2-O 3.42Å; V199-A554 HydrophobicContact CG2-CB 4.07Å; V199-R555 HydrophobicContact CG1-CB 4.36Å; V199-R555 HydrophobicContact CG1-CG 4.45Å; V199-R555 HydrophobicContact CG2-CB 4.26Å
200	T	98.8	Very high	98.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-44.8	173.4	-59.2	0	0	0	0	111.3	T168 K169 F172 L177 T196 F197 I198 E203 Q204	T168-T200 WeakPolarHBondContact CB-OG1 3.32Å; T168-T200 PolarHBondContact OG1-OG1 3.41Å; K169-T200 HydrophobicContact CG-CG2 4.07Å; F172-T200 HydrophobicContact CB-CG2 4.24Å; F172-T200 HydrophobicContact CD2-CG2 4.21Å; L177-T200 HydrophobicContact CD1-CG2 4.19Å; T196-T200 WeakPolarHBondContact O-CB 3.2Å; T196-T200 PolarHBondContact O-N 2.93Å; T196-T200 PolarHBondContact O-OG1 2.87Å; F197-T200 WeakPolarHBondContact O-CB 3.34Å; F197-T200 PolarHBondContact O-N 3.34Å; I198-T200 VanDerWaalsContact C-N 3.28Å; I198-T200 PolarHBondContact O-N 3.04Å; T200-E203 PolarHBondContact O-N 3.27Å; T200-Q204 WeakPolarHBondContact O-CG 3.38Å; T200-Q204 PolarHBondContact O-N 3.48Å
201	G	98.5	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-45.1	174	0	0	0	0	0	112.8	F197 I198 V199 E203 Q204 G205 V206	F197-G201 PolarHBondContact O-N 3.3Å; I198-G201 PolarHBondContact O-N 2.69Å; I198-G201 VanDerWaalsContact O-N 3.13Å; V199-G201 VanDerWaalsContact C-N 3.35Å; V199-G201 PolarHBondContact O-N 3.1Å; G201-E203 PolarHBondContact O-N 2.76Å; G201-Q204 WeakPolarHBondContact O-CB 3.43Å; G201-Q204 PolarHBondContact O-N 3.18Å; G201-G205 PolarHBondContact O-N 3.31Å; G201-V206 WeakPolarHBondContact O-CA 3.27Å; G201-V206 WeakPolarHBondContact O-CB 3.3Å; G201-V206 PolarHBondContact O-N 3.43Å
202	E	98.6	Very high	98.3	Very high	44 Å²	44	29 Å²	29	21%	0.206	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-40.7	177.7	-69.5	179.5	158.6	0	0	112.6	I198 V199 Q204 G205 K208 R555	I198-E202 WeakPolarHBondContact O-CG 3.5Å; I198-E202 PolarHBondContact O-N 3.07Å; V199-E202 PolarHBondContact O-N 2.58Å; E202-Q204 VanDerWaalsContact C-N 3.26Å; E202-Q204 PolarHBondContact O-N 3.25Å; E202-G205 WeakPolarHBondContact O-CA 3.26Å; E202-G205 PolarHBondContact O-N 3.23Å; E202-K208 HydrophobicContact CG-CG 4.26Å; E202-K208 WeakPolarHBondContact OE1-CD 3.3Å; E202-K208 IonicContact OE1-NZ 2.7Å; E202-K208 PolarHBondContact OE1-NZ 2.98Å; E202-R555 IonicContact OE1-NH2 3.67Å; E202-R555 IonicContact OE2-CZ 3.53Å; E202-R555 IonicContact OE2-NH1 2.76Å; E202-R555 PolarHBondContact OE2-NH1 2.98Å; E202-R555 IonicContact OE2-NH2 3.79Å; E202-R555 PolarHBondContact OE2-NH2 2.99Å
203	E	98.6	Very high	98	Very high	75 Å²	75	28.9 Å²	28.9	35%	0.35	16%	0.157	S	C	.	.	H	α-helix	trans	-71.8	-19	177.1	-70.8	-171.8	-169.3	0	0	113	K169 V199 T200 G201 G205 R557	K169-E203 WeakPolarHBondContact CD-OE2 3.22Å; K169-E203 WeakPolarHBondContact CE-OE2 3.2Å; K169-E203 IonicContact NZ-OE2 2.83Å; K169-E203 PolarHBondContact NZ-OE2 2.94Å; V199-E203 HydrophobicContact CG1-CG 4.24Å; V199-E203 WeakPolarHBondContact O-CB 3.35Å; V199-E203 WeakPolarHBondContact O-CG 3.36Å; V199-E203 PolarHBondContact O-N 3.46Å; T200-E203 PolarHBondContact O-N 3.27Å; G201-E203 PolarHBondContact O-N 2.76Å; E203-G205 VanDerWaalsContact C-N 3.25Å; E203-R557 VanDerWaalsContact CD-NH2 3.31Å; E203-R557 IonicContact OE1-CZ 2.79Å; E203-R557 IonicContact OE1-NH1 3.94Å; E203-R557 PolarHBondContact OE1-NH1 3.26Å; E203-R557 IonicContact OE1-NH2 2.63Å; E203-R557 PolarHBondContact OE1-NH2 3.4Å; E203-R557 IonicContact OE2-NH2 3.13Å; E203-R557 PolarHBondContact OE2-NH2 3.22Å
204	Q	98.3	Very high	97.9	Very high	71 Å²	71	29.2 Å²	29.2	33%	0.332	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.1	164.8	-70.7	-175.5	1	0	0	113.2	F172 I175 L177 T200 G201 E202 V206	F172-Q204 PolarHBondContact O-NE2 3.05Å; F172-Q204 VanDerWaalsContact O-NE2 3.11Å; I175-Q204 PolarHBondContact O-NE2 3.05Å; I175-Q204 PolarHBondContact O-OE1 3.42Å; L177-Q204 VanDerWaalsContact CG-OE1 3.29Å; T200-Q204 WeakPolarHBondContact O-CG 3.38Å; T200-Q204 PolarHBondContact O-N 3.48Å; G201-Q204 WeakPolarHBondContact O-CB 3.43Å; G201-Q204 PolarHBondContact O-N 3.18Å; E202-Q204 VanDerWaalsContact C-N 3.26Å; E202-Q204 PolarHBondContact O-N 3.25Å; Q204-V206 HydrophobicContact CB-CG2 4.06Å
205	G	98.3	Very high	97.8	Very high	64 Å²	64	29.2 Å²	29.2	66%	0.66	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	19.4	-174	0	0	0	0	0	113.9	G201 E202 E203 P207	G201-G205 PolarHBondContact O-N 3.31Å; E202-G205 WeakPolarHBondContact O-CA 3.26Å; E202-G205 PolarHBondContact O-N 3.23Å; E203-G205 VanDerWaalsContact C-N 3.25Å; G205-P207 WeakPolarHBondContact O-CD 3.45Å
206	V	98.4	Very high	97.8	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.055	16%	0.161	C	C	.	.			trans	-90.3	119.9	178.1	-177.9	0	0	0	0	109.8	L177 E178 G201 Q204 K210 L211	L177-V206 HydrophobicContact CB-CG2 4.46Å; E178-V206 HydrophobicContact CB-CG1 3.79Å; E178-V206 HydrophobicContact CB-CG2 4.08Å; G201-V206 WeakPolarHBondContact O-CA 3.27Å; G201-V206 WeakPolarHBondContact O-CB 3.3Å; G201-V206 PolarHBondContact O-N 3.43Å; Q204-V206 HydrophobicContact CB-CG2 4.06Å; V206-K210 HydrophobicContact CG1-CB 4.04Å; V206-L211 HydrophobicContact CB-CD2 4.49Å; V206-L211 HydrophobicContact CG1-CD2 3.88Å; V206-L211 HydrophobicContact CG1-CG 4.46Å
207	P	97.9	Very high	97.7	Very high	50 Å²	50	29.5 Å²	29.5	33%	0.325	16%	0.161	S	C	.	.			trans	-60.2	139.1	171.6	-21.8	32.6	0	0	0	111.6	G205 E209 K210	G205-P207 WeakPolarHBondContact O-CD 3.45Å; P207-E209 HydrophobicContact CB-CG 4.4Å; P207-E209 WeakPolarHBondContact CB-OE1 3.49Å; P207-E209 VanDerWaalsContact CB-OE2 3.26Å; P207-E209 WeakPolarHBondContact CB-OE2 3.46Å; P207-E209 PolarHBondContact O-N 3.16Å; P207-E209 VanDerWaalsContact O-N 3.13Å; P207-K210 HydrophobicContact CB-CG 4.48Å; P207-K210 HydrophobicContact CG-CD 4.41Å; P207-K210 WeakPolarHBondContact O-CB 2.95Å; P207-K210 PolarHBondContact O-N 3.03Å
208	K	98	Very high	97.7	Very high	49 Å²	49	29.4 Å²	29.4	21%	0.213	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-54	-36.7	-175.7	-71.3	-173.1	-79.4	-105.5	0	112.9	I198 E202 K210 L211 Y246 H250 M251	I198-K208 HydrophobicContact CG2-CD 3.74Å; I198-K208 HydrophobicContact CG2-CG 4.06Å; E202-K208 HydrophobicContact CG-CG 4.26Å; E202-K208 WeakPolarHBondContact OE1-CD 3.3Å; E202-K208 IonicContact OE1-NZ 2.7Å; E202-K208 PolarHBondContact OE1-NZ 2.98Å; K208-K210 PolarHBondContact O-N 3.12Å; K208-L211 WeakPolarHBondContact O-CB 3.46Å; K208-L211 PolarHBondContact O-N 2.63Å; K208-L211 VanDerWaalsContact O-N 3.07Å; K208-Y246 WeakPolarHBondContact CD-OH 3.24Å; K208-H250 CarbonylContact C-O 3.35Å; K208-M251 HydrophobicContact CB-CG 4.21Å
209	E	97.4	Very high	97.7	Very high	98 Å²	98	29.8 Å²	29.8	46%	0.458	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-69	-13.8	180	68.9	-84.4	-166.1	0	0	114.2	P207 H250	P207-E209 HydrophobicContact CB-CG 4.4Å; P207-E209 WeakPolarHBondContact CB-OE1 3.49Å; P207-E209 VanDerWaalsContact CB-OE2 3.26Å; P207-E209 WeakPolarHBondContact CB-OE2 3.46Å; P207-E209 PolarHBondContact O-N 3.16Å; P207-E209 VanDerWaalsContact O-N 3.13Å; E209-H250 WeakPolarHBondContact CA-O 3.14Å; E209-H250 PolarHBondContact N-O 2.84Å
210	K	97.4	Very high	97.7	Very high	104 Å²	104	29.9 Å²	29.9	45%	0.452	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-91.1	-15	173	-65.9	-166.5	-176.4	174.2	0	113.2	V206 P207 K208 T212	V206-K210 HydrophobicContact CG1-CB 4.04Å; P207-K210 HydrophobicContact CB-CG 4.48Å; P207-K210 HydrophobicContact CG-CD 4.41Å; P207-K210 WeakPolarHBondContact O-CB 2.95Å; P207-K210 PolarHBondContact O-N 3.03Å; K208-K210 PolarHBondContact O-N 3.12Å; K210-T212 WeakPolarHBondContact O-CG2 3.05Å; K210-T212 PolarHBondContact O-N 2.64Å
211	L	97.3	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.			trans	-63.7	129.1	176.3	-62.5	175.4	0	0	0	109.4	L177 F197 V206 K208 M251	L177-L211 HydrophobicContact CB-CD2 4.04Å; F197-L211 HydrophobicContact CE1-CB 4.32Å; F197-L211 HydrophobicContact CE1-CD1 4.09Å; F197-L211 HydrophobicContact CE1-CD2 4.41Å; F197-L211 HydrophobicContact CZ-CD2 4.31Å; V206-L211 HydrophobicContact CB-CD2 4.49Å; V206-L211 HydrophobicContact CG1-CD2 3.88Å; V206-L211 HydrophobicContact CG1-CG 4.46Å; K208-L211 WeakPolarHBondContact O-CB 3.46Å; K208-L211 PolarHBondContact O-N 2.63Å; K208-L211 VanDerWaalsContact O-N 3.07Å; L211-M251 HydrophobicContact CB-CE 4.16Å; L211-M251 HydrophobicContact CD1-CE 4.12Å
212	T	95.4	Very high	97.6	Very high	35 Å²	35	29.8 Å²	29.8	22%	0.215	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.6	176.9	72.5	0	0	0	0	109.5	M180 S181 V182 K210 K253	M180-T212 PolarHBondContact O-OG1 2.88Å; S181-T212 WeakPolarHBondContact CA-O 3.3Å; S181-T212 WeakPolarHBondContact CA-OG1 3.35Å; V182-T212 PolarHBondContact N-O 3.18Å; V182-T212 VanDerWaalsContact N-O 3.13Å; K210-T212 WeakPolarHBondContact O-CG2 3.05Å; K210-T212 PolarHBondContact O-N 2.64Å; T212-K253 HydrophobicContact CG2-CB 3.95Å; T212-K253 HydrophobicContact CG2-CD 4.04Å
213	G	93.6	Very high	97.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-172.8	-171.9	0	0	0	0	0	112.8	V182 N255	V182-G213 CarbonylContact O-C 3.35Å; V182-G213 WeakPolarHBondContact O-CA 3.23Å; G213-N255 PolarHBondContact O-N 3.29Å; G213-N255 PolarHBondContact O-ND2 2.9Å; G213-N255 VanDerWaalsContact O-ND2 3.14Å
214	T	95.7	Very high	97.4	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.6	174.5	-56.7	0	0	0	0	107.9	V182 S183 M184 N255	V182-T214 PolarHBondContact O-N 2.85Å; S183-T214 CarbonylContact C-O 3.59Å; S183-T214 VanDerWaalsContact CA-O 3.3Å; S183-T214 WeakPolarHBondContact CA-O 3.46Å; M184-T214 PolarHBondContact N-O 3.14Å; T214-N255 WeakPolarHBondContact CA-O 3.41Å; T214-N255 HydrophobicContact CG2-CB 3.96Å; T214-N255 PolarHBondContact OG1-ND2 3.18Å
215	I	97.6	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.4	161	-164.5	158.5	0	0	0	108.5	M184 V190 L194 N217 F254 N255 I257 S258	M184-I215 HydrophobicContact CB-CG1 4.31Å; M184-I215 HydrophobicContact CE-CD1 4.24Å; M184-I215 CarbonylContact O-C 3.54Å; M184-I215 VanDerWaalsContact O-CA 3.31Å; M184-I215 WeakPolarHBondContact O-CA 3.12Å; V190-I215 HydrophobicContact CG2-CD1 3.45Å; V190-I215 VanDerWaalsContact CG2-CD1 3.45Å; V190-I215 HydrophobicContact CG2-CG1 3.95Å; L194-I215 HydrophobicContact CB-CD1 3.74Å; L194-I215 HydrophobicContact CD1-CD1 4.08Å; L194-I215 HydrophobicContact CD2-CD1 4.32Å; L194-I215 HydrophobicContact CG-CD1 4.26Å; I215-N217 HydrophobicContact CG2-CB 3.84Å; I215-F254 HydrophobicContact CB-CE1 3.81Å; I215-F254 HydrophobicContact CB-CZ 4Å; I215-F254 HydrophobicContact CG2-CE1 3.67Å; I215-F254 HydrophobicContact CG2-CZ 4.37Å; I215-N255 PolarHBondContact N-O 3.35Å; I215-N255 VanDerWaalsContact N-O 3.08Å; I215-I257 CarbonylContact O-C 3.56Å; I215-I257 WeakPolarHBondContact O-CA 3.44Å; I215-S258 PolarHBondContact O-N 3.27Å
216	Q	97.9	Very high	97.3	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.023	11%	0.105	C	C	.	.			trans	-64.2	-53.3	-175	-169.4	176.1	87.4	0	0	111.5	M184 T185 N187 D218 I257 S258 H263	M184-Q216 PolarHBondContact O-N 3.17Å; T185-Q216 HydrophobicContact CG2-CB 4.38Å; N187-Q216 PolarHBondContact ND2-OE1 2.74Å; N187-Q216 WeakPolarHBondContact OD1-CB 3.47Å; N187-Q216 VanDerWaalsContact OD1-CG 3.29Å; N187-Q216 WeakPolarHBondContact OD1-CG 3.37Å; N187-Q216 PolarHBondContact OD1-OE1 3.02Å; Q216-D218 HydrophobicContact CG-CB 4.45Å; Q216-D218 PolarHBondContact O-N 3.31Å; Q216-I257 WeakPolarHBondContact O-CG1 3.31Å; Q216-S258 PolarHBondContact O-N 3.27Å; Q216-H263 PolarHBondContact NE2-CE1 2.7Å; Q216-H263 VanDerWaalsContact NE2-CE1 3.31Å
217	N	98.3	Very high	97.2	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.011	10%	0.103	C	C	.	.			trans	46.9	35.7	167.6	-169.8	37.3	0	0	0	114.9	M186 N187 V190 I215 I240 I243 S256 I257	M186-N217 PolarHBondContact O-N 2.84Å; N187-N217 PolarHBondContact OD1-N 2.94Å; N187-N217 VanDerWaalsContact OD1-N 3.11Å; V190-N217 HydrophobicContact CG2-CB 3.92Å; I215-N217 HydrophobicContact CG2-CB 3.84Å; N217-I240 WeakPolarHBondContact OD1-CG1 3.27Å; N217-I243 WeakPolarHBondContact OD1-CD1 3.27Å; N217-S256 WeakPolarHBondContact CB-O 3.35Å; N217-S256 PolarHBondContact ND2-O 2.93Å; N217-I257 VanDerWaalsContact O-CD1 3.24Å; N217-I257 WeakPolarHBondContact O-CD1 3.23Å; N217-I257 WeakPolarHBondContact O-CG1 3.39Å
218	D	98.4	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.			trans	-113	97.3	-178.3	-179.6	-9	0	0	0	107.9	N187 Q216 K221 I257 I259 S260 Y285	N187-D218 PolarHBondContact OD1-N 2.77Å; N187-D218 PolarHBondContact OD1-O 3.23Å; Q216-D218 HydrophobicContact CG-CB 4.45Å; Q216-D218 PolarHBondContact O-N 3.31Å; D218-K221 HydrophobicContact CB-CG 4.06Å; D218-K221 PolarHBondContact O-NZ 3.4Å; D218-K221 WeakPolarHBondContact OD1-CG 3.36Å; D218-K221 WeakPolarHBondContact OD2-CG 3.2Å; D218-I257 HydrophobicContact CB-CG1 4.41Å; D218-I259 WeakPolarHBondContact OD2-CA 3.25Å; D218-S260 PolarHBondContact OD2-N 3.41Å; D218-Y285 WeakPolarHBondContact CA-OH 3.41Å; D218-Y285 WeakPolarHBondContact OD1-CE2 3.45Å; D218-Y285 PolarHBondContact OD1-OH 3.25Å
219	I	98.3	Very high	97.2	Very high	9 Å²	9	16.9 Å²	16.9	5%	0.046	8%	0.08	C	C	.	.			trans	-86.8	-27.8	-174.1	-155.9	81.4	0	0	0	113.1	K221 E222 F223 M237 I240 Y285	I219-K221 VanDerWaalsContact C-N 3.33Å; I219-K221 PolarHBondContact O-N 3.08Å; I219-E222 HydrophobicContact CD1-CB 4.31Å; I219-E222 HydrophobicContact CD1-CG 4.03Å; I219-E222 HydrophobicContact CG1-CB 4.46Å; I219-E222 WeakPolarHBondContact O-CA 3.32Å; I219-E222 VanDerWaalsContact O-CB 3.22Å; I219-E222 WeakPolarHBondContact O-CB 3.5Å; I219-E222 PolarHBondContact O-N 2.93Å; I219-F223 HydrophobicContact CB-CE2 4.34Å; I219-F223 HydrophobicContact CG1-CD2 4.35Å; I219-F223 HydrophobicContact CG1-CE2 3.58Å; I219-F223 HydrophobicContact CG1-CZ 3.96Å; I219-F223 HydrophobicContact CG2-CE2 4.09Å; I219-F223 WeakPolarHBondContact O-CD2 3.49Å; I219-F223 PolarHBondContact O-N 3.14Å; I219-M237 HydrophobicContact CG2-SD 3.8Å; I219-I240 HydrophobicContact CB-CD1 4.06Å; I219-I240 HydrophobicContact CG2-CD1 3.59Å; I219-Y285 PolarHBondContact N-OH 2.92Å
220	L	98.2	Very high	97.3	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-60.3	-44.1	-177.8	-67.2	176.4	0	0	0	111.3	E222 F223 M224 M237 D281 E284 Y285 A454	L220-E222 VanDerWaalsContact C-N 3.26Å; L220-E222 PolarHBondContact O-N 2.78Å; L220-F223 PolarHBondContact O-N 3.14Å; L220-M224 HydrophobicContact CB-CE 4.42Å; L220-M224 PolarHBondContact O-N 3.18Å; L220-M237 HydrophobicContact CD1-CE 4.37Å; L220-M237 HydrophobicContact CD1-SD 4.46Å; L220-M237 HydrophobicContact CD2-SD 3.98Å; L220-M237 HydrophobicContact CG-SD 4.05Å; L220-D281 VanDerWaalsContact CB-OD1 3.24Å; L220-D281 WeakPolarHBondContact CB-OD1 3.45Å; L220-D281 HydrophobicContact CD1-CB 4.19Å; L220-D281 VanDerWaalsContact CD1-OD1 3.29Å; L220-D281 WeakPolarHBondContact CD1-OD1 3.28Å; L220-E284 HydrophobicContact CD1-CB 3.88Å; L220-E284 HydrophobicContact CD1-CG 4.02Å; L220-Y285 WeakPolarHBondContact CB-OH 3.44Å; L220-Y285 HydrophobicContact CD1-CE1 4.1Å; L220-Y285 HydrophobicContact CD1-CE2 4.27Å; L220-Y285 HydrophobicContact CG-CE1 4.21Å; L220-Y285 WeakPolarHBondContact CG-OH 3.47Å; L220-Y285 PolarHBondContact N-OH 3.42Å; L220-A454 HydrophobicContact CD2-CB 4.14Å
221	K	98.1	Very high	97.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-67.9	-19.7	173	69.2	93	170.3	80.1	0	114.8	N187 D218 I219 M224 V225 R226 H263 M264	N187-K221 PolarHBondContact ND2-NZ 2.86Å; N187-K221 VanDerWaalsContact ND2-NZ 3.17Å; N187-K221 PolarHBondContact OD1-NZ 2.59Å; D218-K221 HydrophobicContact CB-CG 4.06Å; D218-K221 PolarHBondContact O-NZ 3.4Å; D218-K221 WeakPolarHBondContact OD1-CG 3.36Å; D218-K221 WeakPolarHBondContact OD2-CG 3.2Å; I219-K221 VanDerWaalsContact C-N 3.33Å; I219-K221 PolarHBondContact O-N 3.08Å; K221-M224 HydrophobicContact CB-CE 4.23Å; K221-M224 PolarHBondContact O-N 2.78Å; K221-V225 VanDerWaalsContact O-CG2 3.29Å; K221-V225 WeakPolarHBondContact O-CG2 3.35Å; K221-V225 PolarHBondContact O-N 2.77Å; K221-R226 HydrophobicContact CD-CB 4.28Å; K221-R226 PolarHBondContact O-N 2.99Å; K221-H263 HydrophobicContact CD-CB 4.35Å; K221-H263 VanDerWaalsContact CE-CE1 3.47Å; K221-H263 WeakPolarHBondContact CE-CE1 3.19Å; K221-H263 VanDerWaalsContact CE-ND1 3.33Å; K221-H263 WeakPolarHBondContact CE-ND1 3.04Å; K221-M264 HydrophobicContact CB-CE 3.88Å
222	E	97.9	Very high	97.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-65.5	-44.6	171.2	-62.2	-62.7	154.9	0	0	111	N187 I219 L220 M224 R226 N227 T228 Y229	N187-E222 HydrophobicContact CB-CG 3.76Å; N187-E222 WeakPolarHBondContact CB-OE1 3.48Å; N187-E222 PolarHBondContact ND2-OE1 2.99Å; I219-E222 HydrophobicContact CD1-CB 4.31Å; I219-E222 HydrophobicContact CD1-CG 4.03Å; I219-E222 HydrophobicContact CG1-CB 4.46Å; I219-E222 WeakPolarHBondContact O-CA 3.32Å; I219-E222 VanDerWaalsContact O-CB 3.22Å; I219-E222 WeakPolarHBondContact O-CB 3.5Å; I219-E222 PolarHBondContact O-N 2.93Å; L220-E222 VanDerWaalsContact C-N 3.26Å; L220-E222 PolarHBondContact O-N 2.78Å; E222-M224 VanDerWaalsContact C-N 3.29Å; E222-M224 PolarHBondContact O-N 3.38Å; E222-R226 PolarHBondContact O-N 3.41Å; E222-R226 VanDerWaalsContact OE1-CD 3.29Å; E222-R226 WeakPolarHBondContact OE1-CD 3.19Å; E222-R226 IonicContact OE1-NH1 2.75Å; E222-R226 PolarHBondContact OE1-NH1 3.13Å; E222-R226 VanDerWaalsContact OE2-CB 3.26Å; E222-R226 WeakPolarHBondContact OE2-CB 3.4Å; E222-R226 WeakPolarHBondContact OE2-CG 3.37Å; E222-R226 IonicContact OE2-NH1 3.07Å; E222-N227 WeakPolarHBondContact O-CA 3.33Å; E222-N227 PolarHBondContact O-N 3.42Å; E222-T228 PolarHBondContact OE1-OG1 2.94Å; E222-T228 WeakPolarHBondContact OE2-CA 3.38Å; E222-T228 WeakPolarHBondContact OE2-CB 3.07Å; E222-T228 PolarHBondContact OE2-N 3.21Å; E222-T228 PolarHBondContact OE2-OG1 3.39Å; E222-Y229 HydrophobicContact CB-CD1 4.17Å; E222-Y229 WeakPolarHBondContact O-CD1 3.46Å
223	F	96.6	Very high	97.1	Very high	19 Å²	19	9.1 Å²	9.1	8%	0.083	5%	0.048	C	C	.	.	I	π-helix	trans	-69.2	-28.7	178	-60.3	-66.6	0	0	0	112.6	I219 L220 Y229 F231 P233 V457 H574	I219-F223 HydrophobicContact CB-CE2 4.34Å; I219-F223 HydrophobicContact CG1-CD2 4.35Å; I219-F223 HydrophobicContact CG1-CE2 3.58Å; I219-F223 HydrophobicContact CG1-CZ 3.96Å; I219-F223 HydrophobicContact CG2-CE2 4.09Å; I219-F223 WeakPolarHBondContact O-CD2 3.49Å; I219-F223 PolarHBondContact O-N 3.14Å; L220-F223 PolarHBondContact O-N 3.14Å; F223-Y229 AromaticContact CD1-CD1 3.52Å; F223-Y229 HydrophobicContact CD1-CD1 3.52Å; F223-Y229 HydrophobicContact CD1-CD2 4.41Å; F223-Y229 HydrophobicContact CD1-CE1 4.09Å; F223-Y229 AromaticContact CD1-CG 3.71Å; F223-Y229 HydrophobicContact CD1-CG 3.71Å; F223-Y229 AromaticContact CE1-CD1 3.94Å; F223-Y229 HydrophobicContact CE1-CD1 3.94Å; F223-Y229 HydrophobicContact CE1-CD2 4.15Å; F223-Y229 AromaticContact CE1-CG 3.6Å; F223-Y229 HydrophobicContact CE1-CG 3.6Å; F223-Y229 HydrophobicContact CG-CD1 4.24Å; F223-F231 WeakPolarHBondContact CZ-O 3.19Å; F223-P233 HydrophobicContact CD1-CG 4.48Å; F223-P233 HydrophobicContact CD2-CG 4.31Å; F223-P233 HydrophobicContact CE1-CG 4.2Å; F223-P233 HydrophobicContact CE2-CB 4.11Å; F223-P233 HydrophobicContact CE2-CG 4.01Å; F223-P233 HydrophobicContact CZ-CB 4.35Å; F223-P233 HydrophobicContact CZ-CG 3.96Å; F223-V457 HydrophobicContact CB-CG1 3.53Å; F223-V457 HydrophobicContact CG-CG1 4.37Å; F223-H574 AromaticContact CD1-CD2 3.61Å; F223-H574 AromaticContact CD1-NE2 3.78Å; F223-H574 HydrophobicContact CE1-CB 4.11Å; F223-H574 AromaticContact CE1-CD2 3.63Å; F223-H574 AromaticContact CE1-CG 3.72Å
224	M	96.8	Very high	97.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.086	C	C	.	.	I	π-helix	trans	-75.2	-50.5	177.3	-66.7	-170.3	-98.6	0	0	112.9	L220 K221 E222 M264 D281 M453 V457 P462 K463	L220-M224 HydrophobicContact CB-CE 4.42Å; L220-M224 PolarHBondContact O-N 3.18Å; K221-M224 HydrophobicContact CB-CE 4.23Å; K221-M224 PolarHBondContact O-N 2.78Å; E222-M224 VanDerWaalsContact C-N 3.29Å; E222-M224 PolarHBondContact O-N 3.38Å; M224-M264 HydrophobicContact CE-CE 3.45Å; M224-M264 VanDerWaalsContact CE-CE 3.45Å; M224-M264 HydrophobicContact CE-SD 4.45Å; M224-M264 HydrophobicContact SD-CE 4.33Å; M224-D281 WeakPolarHBondContact CE-OD2 3.45Å; M224-M453 HydrophobicContact CE-CE 3.35Å; M224-M453 HydrophobicContact SD-CE 3.25Å; M224-M453 WeakPolarHBondContact SD-CE 3.1Å; M224-V457 HydrophobicContact CE-CG2 4.01Å; M224-V457 HydrophobicContact CG-CG1 4.22Å; M224-V457 HydrophobicContact CG-CG2 3.64Å; M224-V457 HydrophobicContact SD-CG2 3.88Å; M224-P462 HydrophobicContact CG-CB 4.16Å; M224-P462 HydrophobicContact SD-CB 3.54Å; M224-P462 VanDerWaalsContact SD-CB 3.54Å; M224-P462 HydrophobicContact SD-CG 4.28Å; M224-K463 WeakPolarHBondContact O-CD 3.46Å; M224-K463 VanDerWaalsContact O-CG 3.29Å; M224-K463 WeakPolarHBondContact O-CG 3.23Å; M224-K463 PolarHBondContact O-NZ 3.29Å
225	V	96.8	Very high	97.2	Very high	13 Å²	13	17.8 Å²	17.8	8%	0.079	9%	0.09	C	C	.	.	I	π-helix	trans	-145.7	-27.7	-161.1	-66.6	0	0	0	0	116.3	K221 H263 M264 A267 I466	K221-V225 VanDerWaalsContact O-CG2 3.29Å; K221-V225 WeakPolarHBondContact O-CG2 3.35Å; K221-V225 PolarHBondContact O-N 2.77Å; V225-H263 HydrophobicContact CG2-CB 3.86Å; V225-M264 HydrophobicContact CG2-CG 4.16Å; V225-A267 HydrophobicContact CB-CB 3.68Å; V225-A267 HydrophobicContact CG1-CB 3.51Å; V225-I466 HydrophobicContact CG1-CD1 3.64Å; V225-I466 HydrophobicContact CG1-CG2 4.07Å
226	R	96.6	Very high	97.2	Very high	45 Å²	45	18 Å²	18	17%	0.17	9%	0.091	C	C	.	.	I	π-helix	trans	-97.9	-20.4	-170.3	-171.9	171.4	-169.6	-77.2	-5.4	114.1	H141 K221 E222 T228 H263	H141-R226 PolarHBondContact CE1-NH1 3.45Å; H141-R226 VanDerWaalsContact CE1-NH1 3.29Å; H141-R226 PolarHBondContact CE1-NH2 3.03Å; H141-R226 PolarHBondContact NE2-NH2 2.91Å; K221-R226 HydrophobicContact CD-CB 4.28Å; K221-R226 PolarHBondContact O-N 2.99Å; E222-R226 PolarHBondContact O-N 3.41Å; E222-R226 VanDerWaalsContact OE1-CD 3.29Å; E222-R226 WeakPolarHBondContact OE1-CD 3.19Å; E222-R226 IonicContact OE1-NH1 2.75Å; E222-R226 PolarHBondContact OE1-NH1 3.13Å; E222-R226 VanDerWaalsContact OE2-CB 3.26Å; E222-R226 WeakPolarHBondContact OE2-CB 3.4Å; E222-R226 WeakPolarHBondContact OE2-CG 3.37Å; E222-R226 IonicContact OE2-NH1 3.07Å; R226-T228 VanDerWaalsContact C-N 3.26Å; R226-T228 PolarHBondContact NH1-OG1 3.19Å; R226-T228 PolarHBondContact O-N 3.19Å; R226-T228 VanDerWaalsContact O-N 3.15Å; R226-H263 HydrophobicContact CB-CB 4.34Å; R226-H263 WeakPolarHBondContact CD-CD2 2.87Å; R226-H263 PolarHBondContact NE-CD2 2.73Å; R226-H263 PolarHBondContact NE-NE2 2.95Å
227	N	97.4	Very high	97.1	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.095	C	C	.	.			trans	58.6	27.5	167.8	-61.3	-36.9	0	0	0	115.1	E222 Y229 G624 D626 L648 F649	E222-N227 WeakPolarHBondContact O-CA 3.33Å; E222-N227 PolarHBondContact O-N 3.42Å; N227-Y229 HydrophobicContact CB-CE1 4.38Å; N227-G624 PolarHBondContact ND2-O 2.95Å; N227-D626 PolarHBondContact ND2-OD2 2.85Å; N227-L648 HydrophobicContact CB-CD1 3.79Å; N227-L648 VanDerWaalsContact CG-CD1 3.45Å; N227-F649 HydrophobicContact CB-CZ 4.28Å; N227-F649 WeakPolarHBondContact O-CZ 3.48Å
228	T	97.8	Very high	97	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	11%	0.111	C	C	.	.			trans	-106	24.8	172	66.5	0	0	0	0	112.8	L138 H141 G188 E222 R226	L138-T228 HydrophobicContact CD2-CG2 4.4Å; H141-T228 HydrophobicContact CB-CG2 4.15Å; G188-T228 VanDerWaalsContact CA-O 3.24Å; G188-T228 WeakPolarHBondContact CA-O 3.47Å; E222-T228 PolarHBondContact OE1-OG1 2.94Å; E222-T228 WeakPolarHBondContact OE2-CA 3.38Å; E222-T228 WeakPolarHBondContact OE2-CB 3.07Å; E222-T228 PolarHBondContact OE2-N 3.21Å; E222-T228 PolarHBondContact OE2-OG1 3.39Å; R226-T228 VanDerWaalsContact C-N 3.26Å; R226-T228 PolarHBondContact NH1-OG1 3.19Å; R226-T228 PolarHBondContact O-N 3.19Å; R226-T228 VanDerWaalsContact O-N 3.15Å
229	Y	98	Very high	97	Very high	6 Å²	6	22.7 Å²	22.7	2%	0.024	11%	0.112	C	C	.	.			trans	-67.5	158	170.3	52.6	-105.4	0	0	0	111.7	R142 E222 F223 N227 H574 F649	R142-Y229 PolarHBondContact NE-O 3.38Å; E222-Y229 HydrophobicContact CB-CD1 4.17Å; E222-Y229 WeakPolarHBondContact O-CD1 3.46Å; F223-Y229 AromaticContact CD1-CD1 3.52Å; F223-Y229 HydrophobicContact CD1-CD1 3.52Å; F223-Y229 HydrophobicContact CD1-CD2 4.41Å; F223-Y229 HydrophobicContact CD1-CE1 4.09Å; F223-Y229 AromaticContact CD1-CG 3.71Å; F223-Y229 HydrophobicContact CD1-CG 3.71Å; F223-Y229 AromaticContact CE1-CD1 3.94Å; F223-Y229 HydrophobicContact CE1-CD1 3.94Å; F223-Y229 HydrophobicContact CE1-CD2 4.15Å; F223-Y229 AromaticContact CE1-CG 3.6Å; F223-Y229 HydrophobicContact CE1-CG 3.6Å; F223-Y229 HydrophobicContact CG-CD1 4.24Å; N227-Y229 HydrophobicContact CB-CE1 4.38Å; Y229-H574 HydrophobicContact CD2-CB 3.85Å; Y229-H574 AromaticContact CD2-CD2 3.81Å; Y229-H574 HydrophobicContact CE2-CB 4.12Å; Y229-H574 AromaticContact CE2-CD2 3.53Å; Y229-H574 AromaticContact CZ-CD2 3.81Å; Y229-F649 HydrophobicContact CE2-CE2 4.15Å
230	I	98.5	Very high	97	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.015	11%	0.11	C	C	.	.			trans	-120.5	-63.8	174.4	-57.1	177	0	0	0	108.8	R142 G188 A189 T564 K568 E573 H574	R142-I230 VanDerWaalsContact O-CD1 3.3Å; R142-I230 WeakPolarHBondContact O-CD1 3.08Å; G188-I230 VanDerWaalsContact C-CD1 3.4Å; A189-I230 HydrophobicContact CB-CD1 4.15Å; I230-T564 HydrophobicContact CD1-CG2 3.77Å; I230-T564 HydrophobicContact CG2-CG2 3.93Å; I230-K568 HydrophobicContact CG2-CD 4.4Å; I230-K568 HydrophobicContact CG2-CG 4.28Å; I230-E573 WeakPolarHBondContact O-CA 3.29Å; I230-H574 PolarHBondContact O-N 3.37Å
231	F	98.3	Very high	96.8	Very high	7 Å²	7	22.8 Å²	22.8	3%	0.031	11%	0.114	C	C	.	.	S	Bend	trans	-88.2	162.4	-176.1	-44.3	-71.1	0	0	0	111.6	F223 P235 S236 I239 T564 L567 K568 F571 G572	F223-F231 WeakPolarHBondContact CZ-O 3.19Å; F231-P235 HydrophobicContact CB-CB 4.49Å; F231-P235 HydrophobicContact CB-CG 4.07Å; F231-S236 PolarHBondContact O-OG 2.83Å; F231-I239 HydrophobicContact CD2-CD1 3.55Å; F231-I239 HydrophobicContact CE2-CD1 3.6Å; F231-T564 HydrophobicContact CZ-CG2 4.07Å; F231-L567 HydrophobicContact CE1-CB 3.83Å; F231-L567 HydrophobicContact CE2-CD1 4.41Å; F231-L567 HydrophobicContact CZ-CB 3.68Å; F231-L567 HydrophobicContact CZ-CD1 4.11Å; F231-K568 HydrophobicContact CD1-CG 4.24Å; F231-K568 HydrophobicContact CE1-CB 4.33Å; F231-K568 HydrophobicContact CE1-CG 3.56Å; F231-K568 HydrophobicContact CZ-CG 4.45Å; F231-F571 HydrophobicContact CB-CB 4.27Å; F231-F571 HydrophobicContact CD1-CB 3.72Å; F231-F571 HydrophobicContact CD1-CD2 4.12Å; F231-F571 HydrophobicContact CD1-CG 4.45Å; F231-F571 HydrophobicContact CE1-CB 4.44Å; F231-F571 HydrophobicContact CE1-CD2 4.37Å; F231-F571 HydrophobicContact CG-CB 4.22Å; F231-F571 HydrophobicContact CG-CD2 4.27Å; F231-G572 WeakPolarHBondContact CD1-O 3.02Å
232	P	96.2	Very high	96.8	Very high	35 Å²	35	23.1 Å²	23.1	23%	0.227	12%	0.116	C	C	.	.			trans	-57.9	165.9	169.8	-24.8	35.2	0	0	0	113.6	E234 P235 S236 F571	P232-E234 PolarHBondContact O-N 2.9Å; P232-P235 HydrophobicContact CB-CG 4.09Å; P232-P235 HydrophobicContact CG-CG 4.37Å; P232-P235 VanDerWaalsContact O-CD 3.31Å; P232-P235 WeakPolarHBondContact O-CD 3.19Å; P232-P235 WeakPolarHBondContact O-CG 3.5Å; P232-S236 WeakPolarHBondContact O-CB 3.48Å; P232-S236 PolarHBondContact O-N 3.07Å; P232-S236 VanDerWaalsContact O-N 3.17Å; P232-S236 PolarHBondContact O-OG 2.9Å; P232-F571 VanDerWaalsContact CD-O 3.25Å; P232-F571 WeakPolarHBondContact CD-O 3.36Å
233	P	93.1	Very high	96.8	Very high	30 Å²	30	23.1 Å²	23.1	20%	0.195	12%	0.116	C	C	.	.	H	α-helix	trans	-55.7	-50.5	-175.7	-29.4	36.2	0	0	0	114.7	F223 S236 M237	F223-P233 HydrophobicContact CD1-CG 4.48Å; F223-P233 HydrophobicContact CD2-CG 4.31Å; F223-P233 HydrophobicContact CE1-CG 4.2Å; F223-P233 HydrophobicContact CE2-CB 4.11Å; F223-P233 HydrophobicContact CE2-CG 4.01Å; F223-P233 HydrophobicContact CZ-CB 4.35Å; F223-P233 HydrophobicContact CZ-CG 3.96Å; P233-S236 WeakPolarHBondContact O-CB 3.27Å; P233-S236 PolarHBondContact O-N 2.79Å; P233-M237 WeakPolarHBondContact O-CG 3.36Å; P233-M237 PolarHBondContact O-N 3.44Å
234	E	92.8	Very high	96.8	Very high	171 Å²	171	22.4 Å²	22.4	80%	0.799	11%	0.113	S	C	*	.	H	α-helix	trans	-57.5	-55.8	-177.5	-68.4	-179.4	180	0	0	114	P232 S236 M237 K238	P232-E234 PolarHBondContact O-N 2.9Å; E234-S236 PolarHBondContact O-N 2.98Å; E234-M237 PolarHBondContact O-N 3.34Å; E234-K238 PolarHBondContact O-N 3.17Å; E234-K238 VanDerWaalsContact O-N 3.11Å
235	P	96.9	Very high	96.7	Very high	21 Å²	21	25.3 Å²	25.3	14%	0.136	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-29.5	177.3	23.4	-33	0	0	0	112.7	F231 P232 K238 I239 F571	F231-P235 HydrophobicContact CB-CB 4.49Å; F231-P235 HydrophobicContact CB-CG 4.07Å; P232-P235 HydrophobicContact CB-CG 4.09Å; P232-P235 HydrophobicContact CG-CG 4.37Å; P232-P235 VanDerWaalsContact O-CD 3.31Å; P232-P235 WeakPolarHBondContact O-CD 3.19Å; P232-P235 WeakPolarHBondContact O-CG 3.5Å; P235-K238 PolarHBondContact O-N 2.84Å; P235-I239 PolarHBondContact O-N 3.35Å; P235-F571 HydrophobicContact CB-CB 3.85Å; P235-F571 HydrophobicContact CB-CD1 3.55Å; P235-F571 HydrophobicContact CB-CD2 3.74Å; P235-F571 HydrophobicContact CB-CE1 3.96Å; P235-F571 HydrophobicContact CB-CE2 4.12Å; P235-F571 HydrophobicContact CB-CG 3.43Å; P235-F571 VanDerWaalsContact CB-CG 3.43Å; P235-F571 HydrophobicContact CB-CZ 4.22Å; P235-F571 HydrophobicContact CG-CB 3.99Å; P235-F571 HydrophobicContact CG-CD1 4.4Å; P235-F571 HydrophobicContact CG-CG 4.15Å
236	S	97.8	Very high	96.7	Very high	5 Å²	5	25.3 Å²	25.3	4%	0.035	13%	0.125	C	C	.	.	H	α-helix	trans	-67.1	-38.5	174.9	-56.9	0	0	0	0	112.5	F231 P232 P233 E234 K238 I239 I240	F231-S236 PolarHBondContact O-OG 2.83Å; P232-S236 WeakPolarHBondContact O-CB 3.48Å; P232-S236 PolarHBondContact O-N 3.07Å; P232-S236 VanDerWaalsContact O-N 3.17Å; P232-S236 PolarHBondContact O-OG 2.9Å; P233-S236 WeakPolarHBondContact O-CB 3.27Å; P233-S236 PolarHBondContact O-N 2.79Å; E234-S236 PolarHBondContact O-N 2.98Å; S236-K238 VanDerWaalsContact C-N 3.35Å; S236-I239 WeakPolarHBondContact O-CB 3.39Å; S236-I239 PolarHBondContact O-N 3.17Å; S236-I240 PolarHBondContact O-N 2.97Å
237	M	96.1	Very high	96.6	Very high	21 Å²	21	23.2 Å²	23.2	10%	0.103	12%	0.118	C	C	.	.	H	α-helix	trans	-67.8	-35.1	174.3	-65.9	-57.1	-71.6	0	0	111.9	I219 L220 P233 E234 I240 A241 E284 Y285 T288	I219-M237 HydrophobicContact CG2-SD 3.8Å; L220-M237 HydrophobicContact CD1-CE 4.37Å; L220-M237 HydrophobicContact CD1-SD 4.46Å; L220-M237 HydrophobicContact CD2-SD 3.98Å; L220-M237 HydrophobicContact CG-SD 4.05Å; P233-M237 WeakPolarHBondContact O-CG 3.36Å; P233-M237 PolarHBondContact O-N 3.44Å; E234-M237 PolarHBondContact O-N 3.34Å; M237-I240 PolarHBondContact O-N 2.92Å; M237-I240 HydrophobicContact SD-CD1 4.1Å; M237-A241 PolarHBondContact O-N 3.19Å; M237-E284 HydrophobicContact CE-CG 4.08Å; M237-Y285 HydrophobicContact CE-CD1 3.69Å; M237-Y285 HydrophobicContact CE-CE1 3.64Å; M237-Y285 HydrophobicContact SD-CD1 4.45Å; M237-Y285 HydrophobicContact SD-CE1 3.83Å; M237-T288 HydrophobicContact CE-CG2 4.38Å; M237-T288 WeakPolarHBondContact CE-OG1 3.27Å
238	K	95.9	Very high	96.3	Very high	77 Å²	77	24.9 Å²	24.9	34%	0.335	13%	0.131	S	C	.	.	H	α-helix	trans	-62	-40.8	171.1	173.8	59.4	166.1	111	0	112.2	E234 P235 S236 I240 A241 D242	E234-K238 PolarHBondContact O-N 3.17Å; E234-K238 VanDerWaalsContact O-N 3.11Å; P235-K238 PolarHBondContact O-N 2.84Å; S236-K238 VanDerWaalsContact C-N 3.35Å; K238-I240 VanDerWaalsContact C-N 3.3Å; K238-I240 PolarHBondContact O-N 3.31Å; K238-A241 WeakPolarHBondContact O-CB 3.32Å; K238-A241 PolarHBondContact O-N 3.03Å; K238-D242 IonicContact NZ-OD1 2.95Å; K238-D242 PolarHBondContact NZ-OD1 3.01Å; K238-D242 IonicContact NZ-OD2 2.73Å; K238-D242 PolarHBondContact NZ-OD2 3.24Å; K238-D242 VanDerWaalsContact NZ-OD2 3.07Å; K238-D242 PolarHBondContact O-N 3.28Å
239	I	98.5	Very high	96.1	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-57.9	-44.2	173.6	-78.1	167.4	0	0	0	110.9	V190 I191 F231 P235 S236 A241 D242 I243 I546 L567 F571	V190-I239 HydrophobicContact CG1-CG2 3.76Å; I191-I239 HydrophobicContact CD1-CG2 3.86Å; I191-I239 HydrophobicContact CG1-CG1 4.36Å; I191-I239 HydrophobicContact CG1-CG2 3.6Å; F231-I239 HydrophobicContact CD2-CD1 3.55Å; F231-I239 HydrophobicContact CE2-CD1 3.6Å; P235-I239 PolarHBondContact O-N 3.35Å; S236-I239 WeakPolarHBondContact O-CB 3.39Å; S236-I239 PolarHBondContact O-N 3.17Å; I239-A241 PolarHBondContact O-N 3.34Å; I239-D242 PolarHBondContact O-N 3.31Å; I239-I243 HydrophobicContact CG2-CD1 3.86Å; I239-I243 VanDerWaalsContact O-CG1 3.3Å; I239-I243 WeakPolarHBondContact O-CG1 3.43Å; I239-I243 PolarHBondContact O-N 3.11Å; I239-I546 HydrophobicContact CG1-CD1 4.12Å; I239-L567 HydrophobicContact CD1-CD1 4.46Å; I239-F571 HydrophobicContact CD1-CE2 4.31Å
240	I	97.9	Very high	96.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-43	177.2	-66.8	173.5	0	0	0	111.2	N217 I219 S236 M237 K238 D242 I243 F244 Y285 T288	N217-I240 WeakPolarHBondContact OD1-CG1 3.27Å; I219-I240 HydrophobicContact CB-CD1 4.06Å; I219-I240 HydrophobicContact CG2-CD1 3.59Å; S236-I240 PolarHBondContact O-N 2.97Å; M237-I240 PolarHBondContact O-N 2.92Å; M237-I240 HydrophobicContact SD-CD1 4.1Å; K238-I240 VanDerWaalsContact C-N 3.3Å; K238-I240 PolarHBondContact O-N 3.31Å; I240-D242 VanDerWaalsContact C-N 3.33Å; I240-D242 PolarHBondContact O-N 2.81Å; I240-I243 PolarHBondContact O-N 2.58Å; I240-F244 HydrophobicContact CG2-CD1 4.3Å; I240-F244 HydrophobicContact CG2-CD2 4.29Å; I240-F244 HydrophobicContact CG2-CE1 3.79Å; I240-F244 HydrophobicContact CG2-CE2 3.78Å; I240-F244 HydrophobicContact CG2-CZ 3.5Å; I240-F244 WeakPolarHBondContact O-CG 3.42Å; I240-F244 PolarHBondContact O-N 3.43Å; I240-Y285 HydrophobicContact CD1-CD1 4.21Å; I240-Y285 HydrophobicContact CD1-CE1 3.49Å; I240-Y285 VanDerWaalsContact CD1-CE1 3.49Å; I240-Y285 HydrophobicContact CG2-CD1 4.15Å; I240-Y285 HydrophobicContact CG2-CE1 4.47Å; I240-T288 HydrophobicContact CG2-CG2 4.46Å
241	A	96	Very high	96	Very high	11 Å²	11	33.9 Å²	33.9	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-56.6	-45.5	175.6	0	0	0	0	0	112.2	M237 K238 I239 I243 F244 Q245 T288 A292	M237-A241 PolarHBondContact O-N 3.19Å; K238-A241 WeakPolarHBondContact O-CB 3.32Å; K238-A241 PolarHBondContact O-N 3.03Å; I239-A241 PolarHBondContact O-N 3.34Å; A241-I243 PolarHBondContact O-N 2.99Å; A241-F244 PolarHBondContact O-N 3.05Å; A241-Q245 PolarHBondContact O-N 3.27Å; A241-T288 HydrophobicContact CB-CG2 3.81Å; A241-A292 HydrophobicContact CB-CB 3.96Å
242	D	97.5	Very high	95.7	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.032	19%	0.191	C	C	.	.	H	α-helix	trans	-66.5	-37.5	179.1	-78.2	8.8	0	0	0	112.3	K238 I239 I240 Q245 Y246 N545 I546	K238-D242 IonicContact NZ-OD1 2.95Å; K238-D242 PolarHBondContact NZ-OD1 3.01Å; K238-D242 IonicContact NZ-OD2 2.73Å; K238-D242 PolarHBondContact NZ-OD2 3.24Å; K238-D242 VanDerWaalsContact NZ-OD2 3.07Å; K238-D242 PolarHBondContact O-N 3.28Å; I239-D242 PolarHBondContact O-N 3.31Å; I240-D242 VanDerWaalsContact C-N 3.33Å; I240-D242 PolarHBondContact O-N 2.81Å; D242-Q245 PolarHBondContact O-N 3Å; D242-Y246 WeakPolarHBondContact O-CB 3.46Å; D242-Y246 PolarHBondContact O-N 2.9Å; D242-N545 PolarHBondContact O-ND2 3.23Å; D242-I546 HydrophobicContact CB-CB 4.46Å; D242-I546 VanDerWaalsContact OD2-CG1 3.32Å; D242-I546 WeakPolarHBondContact OD2-CG1 3.25Å; D242-I546 PolarHBondContact OD2-N 2.76Å
243	I	98.1	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-44.5	174.1	-67.5	164.3	0	0	0	110.2	V190 I191 L194 N217 I239 I240 A241 Y246 T247 L547	V190-I243 HydrophobicContact CB-CD1 4.36Å; V190-I243 HydrophobicContact CG1-CD1 3.67Å; V190-I243 HydrophobicContact CG2-CD1 3.77Å; I191-I243 HydrophobicContact CD1-CD1 3.97Å; I191-I243 HydrophobicContact CD1-CG1 3.87Å; L194-I243 HydrophobicContact CD2-CG2 3.98Å; N217-I243 WeakPolarHBondContact OD1-CD1 3.27Å; I239-I243 HydrophobicContact CG2-CD1 3.86Å; I239-I243 VanDerWaalsContact O-CG1 3.3Å; I239-I243 WeakPolarHBondContact O-CG1 3.43Å; I239-I243 PolarHBondContact O-N 3.11Å; I240-I243 PolarHBondContact O-N 2.58Å; A241-I243 PolarHBondContact O-N 2.99Å; I243-Y246 PolarHBondContact O-N 3.46Å; I243-T247 HydrophobicContact CG2-CG2 4.12Å; I243-T247 WeakPolarHBondContact O-CB 3.42Å; I243-T247 VanDerWaalsContact O-CG2 3.32Å; I243-T247 WeakPolarHBondContact O-CG2 3.4Å; I243-T247 PolarHBondContact O-N 3.07Å; I243-T247 PolarHBondContact O-OG1 3.5Å; I243-L547 HydrophobicContact CG1-CB 4.49Å; I243-L547 HydrophobicContact CG1-CD2 4.2Å; I243-L547 HydrophobicContact CG2-CD2 4.49Å
244	F	95.8	Very high	95.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-47.7	177.2	-71.3	-4.8	0	0	0	111.6	I240 A241 Y246 T247 A248 I257 L294 L303	I240-F244 HydrophobicContact CG2-CD1 4.3Å; I240-F244 HydrophobicContact CG2-CD2 4.29Å; I240-F244 HydrophobicContact CG2-CE1 3.79Å; I240-F244 HydrophobicContact CG2-CE2 3.78Å; I240-F244 HydrophobicContact CG2-CZ 3.5Å; I240-F244 WeakPolarHBondContact O-CG 3.42Å; I240-F244 PolarHBondContact O-N 3.43Å; A241-F244 PolarHBondContact O-N 3.05Å; F244-Y246 PolarHBondContact O-N 3.25Å; F244-T247 PolarHBondContact O-OG1 3.14Å; F244-A248 VanDerWaalsContact O-CB 3.22Å; F244-A248 WeakPolarHBondContact O-CB 3.5Å; F244-A248 PolarHBondContact O-N 3.26Å; F244-I257 HydrophobicContact CE1-CB 3.88Å; F244-I257 HydrophobicContact CE1-CD1 4.48Å; F244-I257 HydrophobicContact CE1-CG2 3.85Å; F244-I257 HydrophobicContact CZ-CB 4.08Å; F244-I257 HydrophobicContact CZ-CD1 4.02Å; F244-I257 HydrophobicContact CZ-CG2 3.79Å; F244-L294 HydrophobicContact CB-CD1 3.85Å; F244-L303 HydrophobicContact CZ-CD2 4.4Å
245	Q	94.3	Very high	95.7	Very high	63 Å²	63	33 Å²	33	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-59	-49.9	178.4	-173	-173.7	55	0	0	111.8	A241 D242 Q249 N545	A241-Q245 PolarHBondContact O-N 3.27Å; D242-Q245 PolarHBondContact O-N 3Å; Q245-Q249 WeakPolarHBondContact O-CG 3.38Å; Q245-Q249 PolarHBondContact O-N 2.93Å; Q245-N545 PolarHBondContact OE1-ND2 3.29Å; Q245-N545 VanDerWaalsContact OE1-ND2 3.11Å
246	Y	96.9	Very high	95.6	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-46.5	-177.9	-178.3	-86.3	0	0	0	112.2	I198 K208 D242 I243 F244 Q249 H250 M251 L547 A548	I198-Y246 HydrophobicContact CD1-CE1 3.79Å; K208-Y246 WeakPolarHBondContact CD-OH 3.24Å; D242-Y246 WeakPolarHBondContact O-CB 3.46Å; D242-Y246 PolarHBondContact O-N 2.9Å; I243-Y246 PolarHBondContact O-N 3.46Å; F244-Y246 PolarHBondContact O-N 3.25Å; Y246-Q249 PolarHBondContact O-N 3Å; Y246-H250 AromaticContact CD2-CD2 3.59Å; Y246-H250 HydrophobicContact CE1-CB 4.16Å; Y246-H250 AromaticContact CE2-CD2 3.53Å; Y246-H250 AromaticContact CG-CD2 3.97Å; Y246-H250 AromaticContact CZ-CD2 3.86Å; Y246-H250 WeakPolarHBondContact O-CB 3.2Å; Y246-H250 PolarHBondContact O-CD2 2.99Å; Y246-H250 PolarHBondContact O-N 3.4Å; Y246-M251 HydrophobicContact CE1-SD 4.15Å; Y246-L547 HydrophobicContact CD1-CD2 3.41Å; Y246-L547 VanDerWaalsContact CD1-CD2 3.41Å; Y246-L547 HydrophobicContact CD1-CG 4.02Å; Y246-L547 HydrophobicContact CE1-CD2 4.07Å; Y246-L547 HydrophobicContact CE1-CG 4.4Å; Y246-L547 HydrophobicContact CG-CB 4.39Å; Y246-L547 HydrophobicContact CG-CD2 3.78Å; Y246-L547 HydrophobicContact CG-CG 4.13Å; Y246-A548 HydrophobicContact CD2-CB 3.91Å; Y246-A548 HydrophobicContact CE2-CB 3.88Å
247	T	95.9	Very high	95.6	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-70.6	-34.9	-176.9	52.7	0	0	0	0	112.5	I243 F244 Q249 M251 S256	I243-T247 HydrophobicContact CG2-CG2 4.12Å; I243-T247 WeakPolarHBondContact O-CB 3.42Å; I243-T247 VanDerWaalsContact O-CG2 3.32Å; I243-T247 WeakPolarHBondContact O-CG2 3.4Å; I243-T247 PolarHBondContact O-N 3.07Å; I243-T247 PolarHBondContact O-OG1 3.5Å; F244-T247 PolarHBondContact O-OG1 3.14Å; T247-Q249 PolarHBondContact O-N 2.89Å; T247-M251 HydrophobicContact CG2-CB 4.48Å; T247-M251 HydrophobicContact CG2-SD 4.25Å; T247-M251 CarbonylContact O-C 3.5Å; T247-M251 VanDerWaalsContact O-CA 3.29Å; T247-M251 WeakPolarHBondContact O-CA 3.46Å; T247-M251 PolarHBondContact O-N 3.49Å; T247-S256 WeakPolarHBondContact CB-OG 3.43Å; T247-S256 WeakPolarHBondContact OG1-CB 3.01Å; T247-S256 PolarHBondContact OG1-OG 3.31Å
248	A	91.1	Very high	95.7	Very high	37 Å²	37	31.7 Å²	31.7	31%	0.306	16%	0.162	S	C	.	.	H	α-helix	trans	-59.6	-38	173.1	0	0	0	0	0	111.9	F244 L294	F244-A248 VanDerWaalsContact O-CB 3.22Å; F244-A248 WeakPolarHBondContact O-CB 3.5Å; F244-A248 PolarHBondContact O-N 3.26Å; A248-L294 HydrophobicContact CB-CD1 4.38Å; A248-L294 HydrophobicContact CB-CD2 4.23Å
249	Q	92.8	Very high	95.8	Very high	126 Å²	126	28 Å²	28	59%	0.589	15%	0.146	S	C	*	.	H	α-helix	trans	-81.7	-41.5	-178.7	-66.9	176.8	6.6	0	0	113.3	Q245 Y246 T247	Q245-Q249 WeakPolarHBondContact O-CG 3.38Å; Q245-Q249 PolarHBondContact O-N 2.93Å; Y246-Q249 PolarHBondContact O-N 3Å; T247-Q249 PolarHBondContact O-N 2.89Å
250	H	96.8	Very high	95.8	Very high	75 Å²	75	27.7 Å²	27.7	35%	0.347	14%	0.144	S	C	.	.	H	α-helix	trans	-110.8	-18.2	-168.5	-60.8	-62.2	0	0	0	114.8	K208 E209 Y246	K208-H250 CarbonylContact C-O 3.35Å; E209-H250 WeakPolarHBondContact CA-O 3.14Å; E209-H250 PolarHBondContact N-O 2.84Å; Y246-H250 AromaticContact CD2-CD2 3.59Å; Y246-H250 HydrophobicContact CE1-CB 4.16Å; Y246-H250 AromaticContact CE2-CD2 3.53Å; Y246-H250 AromaticContact CG-CD2 3.97Å; Y246-H250 AromaticContact CZ-CD2 3.86Å; Y246-H250 WeakPolarHBondContact O-CB 3.2Å; Y246-H250 PolarHBondContact O-CD2 2.99Å; Y246-H250 PolarHBondContact O-N 3.4Å
251	M	97.1	Very high	95.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.			trans	-138	56.4	-171.3	-60.3	173.8	62.4	0	0	111.8	I198 K208 L211 Y246 T247 K253 F254	I198-M251 HydrophobicContact CD1-SD 3.75Å; I198-M251 HydrophobicContact CG1-CE 4.21Å; I198-M251 HydrophobicContact CG1-SD 3.81Å; K208-M251 HydrophobicContact CB-CG 4.21Å; L211-M251 HydrophobicContact CB-CE 4.16Å; L211-M251 HydrophobicContact CD1-CE 4.12Å; Y246-M251 HydrophobicContact CE1-SD 4.15Å; T247-M251 HydrophobicContact CG2-CB 4.48Å; T247-M251 HydrophobicContact CG2-SD 4.25Å; T247-M251 CarbonylContact O-C 3.5Å; T247-M251 VanDerWaalsContact O-CA 3.29Å; T247-M251 WeakPolarHBondContact O-CA 3.46Å; T247-M251 PolarHBondContact O-N 3.49Å; M251-K253 PolarHBondContact O-N 3.02Å; M251-F254 HydrophobicContact CB-CB 3.89Å; M251-F254 HydrophobicContact CE-CB 3.89Å; M251-F254 HydrophobicContact CE-CD1 4.1Å; M251-F254 HydrophobicContact CE-CD2 3.72Å; M251-F254 HydrophobicContact CE-CE2 4.25Å; M251-F254 HydrophobicContact CE-CG 3.64Å; M251-F254 WeakPolarHBondContact O-CB 3.3Å; M251-F254 PolarHBondContact O-N 3.23Å
252	P	92.3	Very high	95.9	Very high	63 Å²	63	28.1 Å²	28.1	41%	0.409	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.5	-169	27.9	-37.9	0	0	0	115.4	R302	P252-R302 WeakPolarHBondContact O-CD 3.39Å; P252-R302 PolarHBondContact O-NH1 2.57Å; P252-R302 VanDerWaalsContact O-NH1 3.12Å
253	K	92.6	Very high	96	Very high	126 Å²	126	28.7 Å²	28.7	55%	0.548	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-5.8	175.5	-62.9	-177.7	-179.2	175.8	0	113.6	T212 M251	T212-K253 HydrophobicContact CG2-CB 3.95Å; T212-K253 HydrophobicContact CG2-CD 4.04Å; M251-K253 PolarHBondContact O-N 3.02Å
254	F	95.5	Very high	96	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.9	-179	-163.1	-96.2	0	0	0	110.1	M184 L194 F197 I215 M251 R302	M184-F254 HydrophobicContact CE-CE2 4.42Å; M184-F254 HydrophobicContact CE-CZ 3.9Å; L194-F254 HydrophobicContact CD1-CE1 4.01Å; L194-F254 HydrophobicContact CD1-CZ 3.98Å; F197-F254 HydrophobicContact CD1-CE2 4.48Å; F197-F254 HydrophobicContact CE1-CD2 4.48Å; F197-F254 AromaticContact CE1-CE2 3.83Å; F197-F254 HydrophobicContact CE1-CE2 3.83Å; F197-F254 HydrophobicContact CZ-CE2 4.49Å; I215-F254 HydrophobicContact CB-CE1 3.81Å; I215-F254 HydrophobicContact CB-CZ 4Å; I215-F254 HydrophobicContact CG2-CE1 3.67Å; I215-F254 HydrophobicContact CG2-CZ 4.37Å; M251-F254 HydrophobicContact CB-CB 3.89Å; M251-F254 HydrophobicContact CE-CB 3.89Å; M251-F254 HydrophobicContact CE-CD1 4.1Å; M251-F254 HydrophobicContact CE-CD2 3.72Å; M251-F254 HydrophobicContact CE-CE2 4.25Å; M251-F254 HydrophobicContact CE-CG 3.64Å; M251-F254 WeakPolarHBondContact O-CB 3.3Å; M251-F254 PolarHBondContact O-N 3.23Å; F254-R302 WeakPolarHBondContact O-CD 3.36Å
255	N	94.5	Very high	96.1	Very high	34 Å²	34	29.2 Å²	29.2	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	107.6	175	-53.8	-57.3	0	0	0	108.4	G213 T214 I215 I257 R302	G213-N255 PolarHBondContact O-N 3.29Å; G213-N255 PolarHBondContact O-ND2 2.9Å; G213-N255 VanDerWaalsContact O-ND2 3.14Å; T214-N255 WeakPolarHBondContact CA-O 3.41Å; T214-N255 HydrophobicContact CG2-CB 3.96Å; T214-N255 PolarHBondContact OG1-ND2 3.18Å; I215-N255 PolarHBondContact N-O 3.35Å; I215-N255 VanDerWaalsContact N-O 3.08Å; N255-I257 PolarHBondContact O-N 3.11Å; N255-R302 WeakPolarHBondContact CA-O 3.47Å; N255-R302 WeakPolarHBondContact CB-O 3.33Å; N255-R302 PolarHBondContact OD1-O 2.93Å
256	S	94.1	Very high	96.3	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.063	14%	0.142	C	C	.	.			trans	-79.7	-4.2	-168.3	-44.1	0	0	0	0	114.4	N217 T247	N217-S256 WeakPolarHBondContact CB-O 3.35Å; N217-S256 PolarHBondContact ND2-O 2.93Å; T247-S256 WeakPolarHBondContact CB-OG 3.43Å; T247-S256 WeakPolarHBondContact OG1-CB 3.01Å; T247-S256 PolarHBondContact OG1-OG 3.31Å
257	I	97.8	Very high	96.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	147.2	174.1	-168.5	163.9	0	0	0	110.7	I215 Q216 N217 D218 F244 N255 I259 Y285 L303 S304	I215-I257 CarbonylContact O-C 3.56Å; I215-I257 WeakPolarHBondContact O-CA 3.44Å; Q216-I257 WeakPolarHBondContact O-CG1 3.31Å; N217-I257 VanDerWaalsContact O-CD1 3.24Å; N217-I257 WeakPolarHBondContact O-CD1 3.23Å; N217-I257 WeakPolarHBondContact O-CG1 3.39Å; D218-I257 HydrophobicContact CB-CG1 4.41Å; F244-I257 HydrophobicContact CE1-CB 3.88Å; F244-I257 HydrophobicContact CE1-CD1 4.48Å; F244-I257 HydrophobicContact CE1-CG2 3.85Å; F244-I257 HydrophobicContact CZ-CB 4.08Å; F244-I257 HydrophobicContact CZ-CD1 4.02Å; F244-I257 HydrophobicContact CZ-CG2 3.79Å; N255-I257 PolarHBondContact O-N 3.11Å; I257-I259 HydrophobicContact CD1-CG1 4.34Å; I257-I259 HydrophobicContact CG1-CG1 4.21Å; I257-I259 HydrophobicContact CG2-CG1 4.29Å; I257-Y285 HydrophobicContact CD1-CD1 3.74Å; I257-Y285 HydrophobicContact CD1-CD2 3.48Å; I257-Y285 VanDerWaalsContact CD1-CD2 3.48Å; I257-Y285 HydrophobicContact CD1-CE1 3.88Å; I257-Y285 HydrophobicContact CD1-CE2 3.59Å; I257-Y285 HydrophobicContact CD1-CG 3.56Å; I257-L303 HydrophobicContact CG2-CD2 3.2Å; I257-L303 HydrophobicContact CG2-CG 4.48Å; I257-S304 PolarHBondContact O-N 3.2Å; I257-S304 PolarHBondContact O-OG 3.17Å
258	S	97.9	Very high	96.4	Very high	10 Å²	10	28 Å²	28	7%	0.07	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	99.2	167.4	-178	0	0	0	0	108.5	I215 Q216 S260 S304 F306	I215-S258 PolarHBondContact O-N 3.27Å; Q216-S258 PolarHBondContact O-N 3.27Å; S258-S260 PolarHBondContact O-N 3.03Å; S258-S260 PolarHBondContact O-OG 2.92Å; S258-S304 CarbonylContact C-O 3.5Å; S258-S304 WeakPolarHBondContact CA-O 3.35Å; S258-F306 WeakPolarHBondContact OG-CB 3.35Å
259	I	98.6	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	113.2	-176.9	-51.8	161	0	0	0	108.5	D218 I257 T278 D281 Y285 L303 S304 F305 F306	D218-I259 WeakPolarHBondContact OD2-CA 3.25Å; I257-I259 HydrophobicContact CD1-CG1 4.34Å; I257-I259 HydrophobicContact CG1-CG1 4.21Å; I257-I259 HydrophobicContact CG2-CG1 4.29Å; I259-T278 HydrophobicContact CG2-CG2 3.81Å; I259-T278 WeakPolarHBondContact CG2-O 3.23Å; I259-D281 HydrophobicContact CG2-CB 4.08Å; I259-Y285 HydrophobicContact CG1-CD2 4.01Å; I259-Y285 HydrophobicContact CG2-CD2 4.37Å; I259-Y285 HydrophobicContact CG2-CE2 4.43Å; I259-L303 HydrophobicContact CD1-CB 4.34Å; I259-L303 HydrophobicContact CD1-CD1 4.48Å; I259-L303 HydrophobicContact CD1-CD2 4.46Å; I259-S304 PolarHBondContact N-O 3.15Å; I259-F305 HydrophobicContact CB-CD1 3.91Å; I259-F305 HydrophobicContact CB-CE1 3.92Å; I259-F305 HydrophobicContact CB-CG 4.44Å; I259-F305 HydrophobicContact CB-CZ 4.48Å; I259-F305 HydrophobicContact CD1-CE1 3.89Å; I259-F305 HydrophobicContact CD1-CE2 4.01Å; I259-F305 HydrophobicContact CD1-CZ 3.61Å; I259-F305 HydrophobicContact CG2-CD1 4.24Å; I259-F305 HydrophobicContact CG2-CE1 4Å; I259-F305 CarbonylContact O-C 3.57Å; I259-F305 WeakPolarHBondContact O-CA 3.26Å; I259-F306 PolarHBondContact O-N 3.12Å
260	S	98.3	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.1	-152.7	-64.6	0	0	0	0	114.2	D218 S258 F306	D218-S260 PolarHBondContact OD2-N 3.41Å; S258-S260 PolarHBondContact O-N 3.03Å; S258-S260 PolarHBondContact O-OG 2.92Å; S260-F306 CarbonylContact C-O 3.55Å; S260-F306 WeakPolarHBondContact CA-O 3.35Å
261	G	98.6	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.			trans	-86.9	-23.2	168.4	0	0	0	0	0	114.9	H263 M264 Q265 E274 T278 F306	G261-H263 VanDerWaalsContact C-N 3.32Å; G261-H263 PolarHBondContact O-N 3.2Å; G261-H263 VanDerWaalsContact O-N 3.15Å; G261-M264 WeakPolarHBondContact O-CA 3.43Å; G261-M264 VanDerWaalsContact O-CB 3.28Å; G261-M264 WeakPolarHBondContact O-CB 3.46Å; G261-M264 PolarHBondContact O-N 3.06Å; G261-Q265 PolarHBondContact O-N 3.11Å; G261-Q265 VanDerWaalsContact O-N 3.14Å; G261-E274 WeakPolarHBondContact O-CG 3.5Å; G261-T278 WeakPolarHBondContact CA-OG1 3.35Å; G261-T278 PolarHBondContact N-OG1 2.93Å; G261-F306 PolarHBondContact N-O 3.18Å
262	Y	98.5	Very high	97.2	Very high	21 Å²	21	18.5 Å²	18.5	8%	0.082	10%	0.097	C	C	.	.	H	α-helix	trans	-43.7	-54.7	-178.3	171.6	-98.8	0	0	0	113.3	M264 Q265 E266 F306 Q350	Y262-M264 PolarHBondContact O-N 3.08Å; Y262-Q265 WeakPolarHBondContact O-CB 3.41Å; Y262-Q265 PolarHBondContact O-N 2.94Å; Y262-Q265 VanDerWaalsContact O-N 3.11Å; Y262-E266 HydrophobicContact CD1-CG 4.12Å; Y262-E266 HydrophobicContact CD2-CG 4.31Å; Y262-E266 HydrophobicContact CE1-CG 3.65Å; Y262-E266 HydrophobicContact CE2-CG 3.87Å; Y262-E266 HydrophobicContact CG-CG 4.42Å; Y262-E266 VanDerWaalsContact CZ-CG 3.5Å; Y262-E266 WeakPolarHBondContact O-CG 3.48Å; Y262-E266 PolarHBondContact O-N 2.88Å; Y262-F306 VanDerWaalsContact CB-CE1 3.48Å; Y262-F306 VanDerWaalsContact CB-CZ 3.4Å; Y262-F306 AromaticContact CD1-CE1 3.75Å; Y262-F306 HydrophobicContact CD1-CE1 3.75Å; Y262-F306 AromaticContact CD1-CZ 3.65Å; Y262-F306 HydrophobicContact CD1-CZ 3.65Å; Y262-F306 HydrophobicContact CD2-CE2 4.08Å; Y262-F306 AromaticContact CD2-CZ 3.78Å; Y262-F306 HydrophobicContact CD2-CZ 3.78Å; Y262-F306 HydrophobicContact CE1-CZ 4.4Å; Y262-F306 AromaticContact CG-CE1 3.69Å; Y262-F306 HydrophobicContact CG-CE1 3.69Å; Y262-F306 AromaticContact CG-CE2 3.9Å; Y262-F306 HydrophobicContact CG-CE2 3.9Å; Y262-F306 AromaticContact CG-CZ 3.31Å; Y262-F306 HydrophobicContact CG-CZ 3.31Å; Y262-F306 PolarHBondContact N-O 3.29Å; Y262-F306 VanDerWaalsContact N-O 3.11Å; Y262-Q350 HydrophobicContact CD2-CB 3.77Å; Y262-Q350 HydrophobicContact CD2-CG 4.2Å; Y262-Q350 HydrophobicContact CE2-CB 3.69Å; Y262-Q350 HydrophobicContact CE2-CG 3.59Å; Y262-Q350 PolarHBondContact OH-NE2 2.78Å
263	H	98.1	Very high	97.5	Very high	19 Å²	19	16.2 Å²	16.2	9%	0.088	8%	0.082	C	C	.	.	H	α-helix	trans	-66.3	-27.8	-176.5	-42.1	88.6	0	0	0	112.8	Q216 K221 V225 R226 G261 A267 F306	Q216-H263 PolarHBondContact NE2-CE1 2.7Å; Q216-H263 VanDerWaalsContact NE2-CE1 3.31Å; K221-H263 HydrophobicContact CD-CB 4.35Å; K221-H263 VanDerWaalsContact CE-CE1 3.47Å; K221-H263 WeakPolarHBondContact CE-CE1 3.19Å; K221-H263 VanDerWaalsContact CE-ND1 3.33Å; K221-H263 WeakPolarHBondContact CE-ND1 3.04Å; V225-H263 HydrophobicContact CG2-CB 3.86Å; R226-H263 HydrophobicContact CB-CB 4.34Å; R226-H263 WeakPolarHBondContact CD-CD2 2.87Å; R226-H263 PolarHBondContact NE-CD2 2.73Å; R226-H263 PolarHBondContact NE-NE2 2.95Å; G261-H263 VanDerWaalsContact C-N 3.32Å; G261-H263 PolarHBondContact O-N 3.2Å; G261-H263 VanDerWaalsContact O-N 3.15Å; H263-A267 WeakPolarHBondContact O-CB 3.24Å; H263-A267 PolarHBondContact O-N 3.29Å; H263-F306 AromaticContact CE1-CD1 3.93Å; H263-F306 AromaticContact CE1-CE1 3.72Å
264	M	98.6	Very high	97.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.5	-44.8	175.1	-52.4	-177.1	-167.4	0	0	109.6	K221 M224 V225 G261 Y262 A267 G268 A269 D281 I466	K221-M264 HydrophobicContact CB-CE 3.88Å; M224-M264 HydrophobicContact CE-CE 3.45Å; M224-M264 VanDerWaalsContact CE-CE 3.45Å; M224-M264 HydrophobicContact CE-SD 4.45Å; M224-M264 HydrophobicContact SD-CE 4.33Å; V225-M264 HydrophobicContact CG2-CG 4.16Å; G261-M264 WeakPolarHBondContact O-CA 3.43Å; G261-M264 VanDerWaalsContact O-CB 3.28Å; G261-M264 WeakPolarHBondContact O-CB 3.46Å; G261-M264 PolarHBondContact O-N 3.06Å; Y262-M264 PolarHBondContact O-N 3.08Å; M264-A267 PolarHBondContact O-N 2.86Å; M264-G268 PolarHBondContact O-N 2.99Å; M264-G268 VanDerWaalsContact O-N 3.13Å; M264-A269 VanDerWaalsContact C-CB 3.44Å; M264-A269 HydrophobicContact CB-CB 3.9Å; M264-A269 WeakPolarHBondContact O-CB 3.42Å; M264-A269 PolarHBondContact O-N 3.45Å; M264-D281 VanDerWaalsContact CE-OD2 3.29Å; M264-D281 WeakPolarHBondContact CE-OD2 3.49Å; M264-I466 HydrophobicContact CB-CD1 4.16Å; M264-I466 HydrophobicContact CG-CD1 4.45Å
265	Q	98.7	Very high	98	Very high	14 Å²	14	10.1 Å²	10.1	7%	0.065	6%	0.055	C	C	.	.	H	α-helix	trans	-62.3	-44.8	175.3	-170.9	178.3	32.1	0	0	111.8	G261 Y262 A267 G268 G308 E316	G261-Q265 PolarHBondContact O-N 3.11Å; G261-Q265 VanDerWaalsContact O-N 3.14Å; Y262-Q265 WeakPolarHBondContact O-CB 3.41Å; Y262-Q265 PolarHBondContact O-N 2.94Å; Y262-Q265 VanDerWaalsContact O-N 3.11Å; Q265-A267 PolarHBondContact O-N 3.23Å; Q265-G268 WeakPolarHBondContact O-CA 3.38Å; Q265-G268 PolarHBondContact O-N 3.24Å; Q265-G308 PolarHBondContact OE1-O 3.06Å; Q265-E316 PolarHBondContact NE2-OE1 2.9Å
266	E	97.7	Very high	98.2	Very high	35 Å²	35	8.5 Å²	8.5	16%	0.164	5%	0.047	C	C	.	.	H	α-helix	trans	-60.9	-34.7	177.2	-65.9	-59.9	99	0	0	112.1	Y262 G268 S352 G353 W354 R627	Y262-E266 HydrophobicContact CD1-CG 4.12Å; Y262-E266 HydrophobicContact CD2-CG 4.31Å; Y262-E266 HydrophobicContact CE1-CG 3.65Å; Y262-E266 HydrophobicContact CE2-CG 3.87Å; Y262-E266 HydrophobicContact CG-CG 4.42Å; Y262-E266 VanDerWaalsContact CZ-CG 3.5Å; Y262-E266 WeakPolarHBondContact O-CG 3.48Å; Y262-E266 PolarHBondContact O-N 2.88Å; E266-G268 VanDerWaalsContact C-N 3.28Å; E266-G268 PolarHBondContact O-N 3.04Å; E266-S352 WeakPolarHBondContact OE1-CA 3.38Å; E266-S352 WeakPolarHBondContact OE1-CB 3.33Å; E266-S352 PolarHBondContact OE1-OG 3.15Å; E266-G353 PolarHBondContact OE1-N 2.96Å; E266-G353 VanDerWaalsContact OE2-CA 3.28Å; E266-G353 WeakPolarHBondContact OE2-CA 3.45Å; E266-G353 PolarHBondContact OE2-N 2.87Å; E266-W354 PolarHBondContact OE2-N 3.39Å; E266-R627 VanDerWaalsContact O-CD 3.24Å; E266-R627 WeakPolarHBondContact O-CD 3.46Å; E266-R627 PolarHBondContact O-NH1 2.93Å
267	A	97.9	Very high	98.4	Very high	13 Å²	13	8.6 Å²	8.6	11%	0.107	5%	0.046	C	C	.	.	H	α-helix	trans	-75.3	-12.8	173.6	0	0	0	0	0	114.1	V225 H263 M264 Q265 I466 A470 R627	V225-A267 HydrophobicContact CB-CB 3.68Å; V225-A267 HydrophobicContact CG1-CB 3.51Å; H263-A267 WeakPolarHBondContact O-CB 3.24Å; H263-A267 PolarHBondContact O-N 3.29Å; M264-A267 PolarHBondContact O-N 2.86Å; Q265-A267 PolarHBondContact O-N 3.23Å; A267-I466 HydrophobicContact CB-CG2 3.8Å; A267-A470 WeakPolarHBondContact O-CB 3.44Å; A267-R627 WeakPolarHBondContact O-CD 3.46Å
268	G	97.7	Very high	98.5	Very high	4 Å²	4	8.6 Å²	8.6	4%	0.041	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.5	6.1	172.6	0	0	0	0	0	115.4	M264 Q265 E266 D270 C469	M264-G268 PolarHBondContact O-N 2.99Å; M264-G268 VanDerWaalsContact O-N 3.13Å; Q265-G268 WeakPolarHBondContact O-CA 3.38Å; Q265-G268 PolarHBondContact O-N 3.24Å; E266-G268 VanDerWaalsContact C-N 3.28Å; E266-G268 PolarHBondContact O-N 3.04Å; G268-D270 PolarHBondContact O-N 3.21Å; G268-C469 WeakPolarHBondContact O-CB 3.31Å
269	A	98.6	Very high	98.5	Very high	2 Å²	2	8.1 Å²	8.1	2%	0.017	4%	0.042	C	C	.	.			trans	-59.9	135.3	172.3	0	0	0	0	0	109.9	M264 L273 I466	M264-A269 VanDerWaalsContact C-CB 3.44Å; M264-A269 HydrophobicContact CB-CB 3.9Å; M264-A269 WeakPolarHBondContact O-CB 3.42Å; M264-A269 PolarHBondContact O-N 3.45Å; A269-L273 HydrophobicContact CB-CB 3.97Å; A269-I466 HydrophobicContact CB-CD1 4.34Å; A269-I466 HydrophobicContact CB-CG1 3.94Å; A269-I466 HydrophobicContact CB-CG2 4.35Å
270	D	98.6	Very high	98.5	Very high	26 Å²	26	8.1 Å²	8.1	14%	0.139	4%	0.042	C	C	.	.			trans	-73.7	173.7	165.4	63.5	59.2	0	0	0	110.9	E63 G268 I272 L273 E274 C469	E63-D270 HydrophobicContact CG-CB 4.02Å; G268-D270 PolarHBondContact O-N 3.21Å; D270-I272 PolarHBondContact O-N 2.55Å; D270-I272 WeakPolarHBondContact OD1-CA 3.37Å; D270-I272 WeakPolarHBondContact OD1-CB 3.24Å; D270-I272 PolarHBondContact OD1-N 3.37Å; D270-L273 PolarHBondContact O-N 3.35Å; D270-L273 PolarHBondContact OD1-N 3.25Å; D270-E274 WeakPolarHBondContact O-CB 3.3Å; D270-E274 PolarHBondContact O-N 3.35Å; D270-C469 PolarHBondContact OD2-SG 2.93Å; D270-C469 VanDerWaalsContact OD2-SG 3.37Å
271	A	98.8	Very high	98.6	Very high	2 Å²	2	8.1 Å²	8.1	2%	0.017	4%	0.042	C	C	.	.	H	α-helix	trans	-61.5	-27.3	-175	0	0	0	0	0	113.9	E63 L275 M315 K319	E63-A271 HydrophobicContact CG-CB 4.11Å; A271-L275 VanDerWaalsContact O-CB 3.23Å; A271-L275 WeakPolarHBondContact O-CB 3.16Å; A271-L275 PolarHBondContact O-N 3.01Å; A271-L275 VanDerWaalsContact O-N 3.08Å; A271-M315 HydrophobicContact CB-CG 3.54Å; A271-M315 HydrophobicContact CB-SD 4.28Å; A271-K319 HydrophobicContact CB-CD 4.01Å; A271-K319 HydrophobicContact CB-CG 4.46Å
272	I	98.8	Very high	98.6	Very high	8 Å²	8	8.1 Å²	8.1	4%	0.041	4%	0.042	C	C	.	.	H	α-helix	trans	-79.3	-45	-178.9	-53.3	-53.7	0	0	0	110.1	E63 I65 D270 L275 A276 V436 A439 A440 L443	E63-I272 HydrophobicContact CB-CD1 4.47Å; E63-I272 HydrophobicContact CB-CG1 3.69Å; E63-I272 HydrophobicContact CG-CG1 3.89Å; I65-I272 HydrophobicContact CD1-CD1 3.83Å; I65-I272 HydrophobicContact CD1-CG1 4.44Å; D270-I272 PolarHBondContact O-N 2.55Å; D270-I272 WeakPolarHBondContact OD1-CA 3.37Å; D270-I272 WeakPolarHBondContact OD1-CB 3.24Å; D270-I272 PolarHBondContact OD1-N 3.37Å; I272-L275 PolarHBondContact O-N 3.44Å; I272-A276 VanDerWaalsContact O-CB 3.22Å; I272-A276 WeakPolarHBondContact O-CB 2.93Å; I272-A276 PolarHBondContact O-N 3.43Å; I272-V436 HydrophobicContact CD1-CB 4.09Å; I272-V436 HydrophobicContact CD1-CG1 3.8Å; I272-V436 HydrophobicContact CD1-CG2 3.98Å; I272-A439 HydrophobicContact CD1-CB 4.1Å; I272-A439 HydrophobicContact CG1-CB 4.28Å; I272-A439 HydrophobicContact CG2-CB 3.77Å; I272-A440 HydrophobicContact CG2-CB 4.37Å; I272-L443 HydrophobicContact CG2-CD1 3.83Å
273	L	98.7	Very high	98.6	Very high	15 Å²	15	7.1 Å²	7.1	8%	0.079	4%	0.038	C	C	.	.	H	α-helix	trans	-61.1	-47.1	173.9	-68.8	-176.3	0	0	0	111.2	A269 D270 L275 A276 Y277 L443 R465 C469	A269-L273 HydrophobicContact CB-CB 3.97Å; D270-L273 PolarHBondContact O-N 3.35Å; D270-L273 PolarHBondContact OD1-N 3.25Å; L273-L275 PolarHBondContact O-N 3.29Å; L273-A276 PolarHBondContact O-N 3.4Å; L273-Y277 HydrophobicContact CB-CD2 4.42Å; L273-Y277 HydrophobicContact CB-CE2 4.28Å; L273-Y277 HydrophobicContact CD2-CE2 3.94Å; L273-Y277 WeakPolarHBondContact O-CB 3.48Å; L273-Y277 PolarHBondContact O-N 3.36Å; L273-L443 HydrophobicContact CD2-CD1 3.8Å; L273-R465 HydrophobicContact CD1-CB 4.3Å; L273-C469 HydrophobicContact CD1-CB 4.47Å; L273-C469 VanDerWaalsContact CD1-SG 3.6Å
274	E	98.9	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-56.3	-50.6	176.6	-177	-172.7	172.8	0	0	110.8	G261 D270 T278 W307 G308 K319	G261-E274 WeakPolarHBondContact O-CG 3.5Å; D270-E274 WeakPolarHBondContact O-CB 3.3Å; D270-E274 PolarHBondContact O-N 3.35Å; E274-T278 WeakPolarHBondContact O-CB 3.44Å; E274-T278 PolarHBondContact O-N 3.19Å; E274-T278 VanDerWaalsContact O-N 3.11Å; E274-T278 PolarHBondContact O-OG1 2.9Å; E274-W307 HydrophobicContact CG-CE3 4.04Å; E274-W307 HydrophobicContact CG-CZ3 4.12Å; E274-G308 PolarHBondContact OE1-N 3.09Å; E274-K319 IonicContact OE1-NZ 3.44Å; E274-K319 PolarHBondContact OE1-NZ 3.07Å; E274-K319 VanDerWaalsContact OE1-NZ 3.11Å; E274-K319 IonicContact OE2-NZ 3.81Å; E274-K319 PolarHBondContact OE2-NZ 2.91Å
275	L	98.9	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.7	-50.1	-178.8	175.6	56.9	0	0	0	111.8	A271 I272 L273 I279 W307 K319 A322 G323 L326 V436 A440	A271-L275 VanDerWaalsContact O-CB 3.23Å; A271-L275 WeakPolarHBondContact O-CB 3.16Å; A271-L275 PolarHBondContact O-N 3.01Å; A271-L275 VanDerWaalsContact O-N 3.08Å; I272-L275 PolarHBondContact O-N 3.44Å; L273-L275 PolarHBondContact O-N 3.29Å; L275-I279 HydrophobicContact CD1-CD1 4.44Å; L275-I279 HydrophobicContact CD1-CG1 3.78Å; L275-I279 WeakPolarHBondContact O-CB 3.44Å; L275-I279 VanDerWaalsContact O-CG1 3.22Å; L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 3.02Å; L275-W307 HydrophobicContact CD1-CH2 3.76Å; L275-W307 HydrophobicContact CD1-CZ2 4.15Å; L275-K319 HydrophobicContact CB-CG 4.13Å; L275-K319 HydrophobicContact CD2-CG 4.49Å; L275-A322 HydrophobicContact CD2-CB 4.16Å; L275-G323 VanDerWaalsContact CD1-CA 3.45Å; L275-L326 HydrophobicContact CD1-CD2 4.46Å; L275-L326 HydrophobicContact CD2-CD2 4.29Å; L275-L326 HydrophobicContact CG-CD2 4.22Å; L275-V436 HydrophobicContact CD2-CG1 3.69Å; L275-A440 HydrophobicContact CB-CB 4.28Å; L275-A440 HydrophobicContact CD2-CB 3.64Å; L275-A440 HydrophobicContact CG-CB 3.79Å
276	A	98.8	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.5	-51.2	-175.5	0	0	0	0	0	111.8	I272 L273 I279 A280 A440 L443 I444	I272-A276 VanDerWaalsContact O-CB 3.22Å; I272-A276 WeakPolarHBondContact O-CB 2.93Å; I272-A276 PolarHBondContact O-N 3.43Å; L273-A276 PolarHBondContact O-N 3.4Å; A276-I279 PolarHBondContact O-N 3.07Å; A276-A280 WeakPolarHBondContact O-CB 3.27Å; A276-A280 PolarHBondContact O-N 3.08Å; A276-A440 HydrophobicContact CB-CB 4.27Å; A276-L443 HydrophobicContact CB-CB 3.66Å; A276-L443 HydrophobicContact CB-CD1 4.02Å; A276-L443 HydrophobicContact CB-CG 4.48Å; A276-I444 HydrophobicContact CB-CG1 4.02Å; A276-I444 WeakPolarHBondContact O-CG1 3.49Å
277	Y	98.8	Very high	98.5	Very high	11 Å²	11	8 Å²	8	4%	0.043	4%	0.04	C	C	.	.	H	α-helix	trans	-68.2	-38.4	-177	-66.3	-19.7	0	0	0	112.3	L273 I279 A280 D281 V447 M453 P462 I466	L273-Y277 HydrophobicContact CB-CD2 4.42Å; L273-Y277 HydrophobicContact CB-CE2 4.28Å; L273-Y277 HydrophobicContact CD2-CE2 3.94Å; L273-Y277 WeakPolarHBondContact O-CB 3.48Å; L273-Y277 PolarHBondContact O-N 3.36Å; Y277-I279 PolarHBondContact O-N 3.48Å; Y277-A280 PolarHBondContact O-N 3.41Å; Y277-D281 WeakPolarHBondContact O-CB 3.4Å; Y277-D281 PolarHBondContact O-N 2.86Å; Y277-V447 HydrophobicContact CD1-CG2 4.39Å; Y277-V447 HydrophobicContact CE1-CG2 4.21Å; Y277-M453 HydrophobicContact CD1-CE 3.86Å; Y277-M453 HydrophobicContact CD1-SD 4.27Å; Y277-M453 HydrophobicContact CD2-CE 4.43Å; Y277-M453 HydrophobicContact CG-CE 3.73Å; Y277-P462 HydrophobicContact CD2-CB 4.02Å; Y277-P462 HydrophobicContact CE1-CB 4.42Å; Y277-P462 HydrophobicContact CE1-CG 4.49Å; Y277-P462 HydrophobicContact CE2-CB 3.69Å; Y277-I466 HydrophobicContact CD2-CD1 4.23Å; Y277-I466 HydrophobicContact CE2-CD1 4.37Å; Y277-I466 HydrophobicContact CE2-CG1 4.29Å
278	T	98.9	Very high	98.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.6	-40.5	176.4	-54.8	0	0	0	0	111.9	I259 G261 E274 G282 F305 W307	I259-T278 HydrophobicContact CG2-CG2 3.81Å; I259-T278 WeakPolarHBondContact CG2-O 3.23Å; G261-T278 WeakPolarHBondContact CA-OG1 3.35Å; G261-T278 PolarHBondContact N-OG1 2.93Å; E274-T278 WeakPolarHBondContact O-CB 3.44Å; E274-T278 PolarHBondContact O-N 3.19Å; E274-T278 VanDerWaalsContact O-N 3.11Å; E274-T278 PolarHBondContact O-OG1 2.9Å; T278-G282 PolarHBondContact O-N 2.96Å; T278-G282 VanDerWaalsContact O-N 3.07Å; T278-F305 HydrophobicContact CG2-CD1 3.99Å; T278-F305 HydrophobicContact CG2-CE1 4.41Å; T278-W307 VanDerWaalsContact CB-CZ3 3.43Å; T278-W307 HydrophobicContact CG2-CE3 4.39Å; T278-W307 HydrophobicContact CG2-CH2 3.56Å; T278-W307 HydrophobicContact CG2-CZ2 4.43Å; T278-W307 HydrophobicContact CG2-CZ3 3.55Å; T278-W307 WeakPolarHBondContact OG1-CZ3 3.35Å
279	I	98.8	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-68.4	-40.8	176.3	-65.9	-67.1	0	0	0	110.6	L275 A276 Y277 G282 L283 F305 L326 W327 L330 L345 I444	L275-I279 HydrophobicContact CD1-CD1 4.44Å; L275-I279 HydrophobicContact CD1-CG1 3.78Å; L275-I279 WeakPolarHBondContact O-CB 3.44Å; L275-I279 VanDerWaalsContact O-CG1 3.22Å; L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 3.02Å; A276-I279 PolarHBondContact O-N 3.07Å; Y277-I279 PolarHBondContact O-N 3.48Å; I279-G282 WeakPolarHBondContact O-CA 3.32Å; I279-G282 PolarHBondContact O-N 2.89Å; I279-G282 VanDerWaalsContact O-N 3.11Å; I279-L283 WeakPolarHBondContact O-CG 3.36Å; I279-L283 PolarHBondContact O-N 3.23Å; I279-F305 HydrophobicContact CD1-CE1 3.92Å; I279-F305 HydrophobicContact CD1-CZ 4.44Å; I279-L326 HydrophobicContact CG1-CD2 4.4Å; I279-W327 HydrophobicContact CD1-CB 4.05Å; I279-W327 HydrophobicContact CD1-CE3 4.05Å; I279-W327 HydrophobicContact CG2-CE3 4.36Å; I279-L330 HydrophobicContact CG2-CD1 3.47Å; I279-L330 VanDerWaalsContact CG2-CD1 3.47Å; I279-L345 HydrophobicContact CD1-CD1 3.89Å; I279-I444 HydrophobicContact CB-CD1 3.84Å; I279-I444 HydrophobicContact CG2-CD1 3.64Å
280	A	98.8	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.6	-41.1	176.7	0	0	0	0	0	112.7	A276 Y277 G282 L283 E284 V447 M453	A276-A280 WeakPolarHBondContact O-CB 3.27Å; A276-A280 PolarHBondContact O-N 3.08Å; Y277-A280 PolarHBondContact O-N 3.41Å; A280-G282 VanDerWaalsContact C-N 3.27Å; A280-G282 PolarHBondContact O-N 3.34Å; A280-L283 WeakPolarHBondContact O-CB 3.08Å; A280-L283 PolarHBondContact O-N 3.15Å; A280-L283 VanDerWaalsContact O-N 3.16Å; A280-E284 PolarHBondContact O-N 3.31Å; A280-E284 VanDerWaalsContact O-N 3.09Å; A280-V447 HydrophobicContact CB-CG1 4Å; A280-M453 HydrophobicContact CB-CB 4.07Å; A280-M453 HydrophobicContact CB-CG 4.16Å; A280-M453 HydrophobicContact CB-SD 4.23Å
281	D	98.8	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.1	-46.5	169.1	-80.4	-16.2	0	0	0	110.2	L220 M224 I259 M264 Y277 L283 E284 Y285 M453	L220-D281 VanDerWaalsContact CB-OD1 3.24Å; L220-D281 WeakPolarHBondContact CB-OD1 3.45Å; L220-D281 HydrophobicContact CD1-CB 4.19Å; L220-D281 VanDerWaalsContact CD1-OD1 3.29Å; L220-D281 WeakPolarHBondContact CD1-OD1 3.28Å; M224-D281 WeakPolarHBondContact CE-OD2 3.45Å; I259-D281 HydrophobicContact CG2-CB 4.08Å; M264-D281 VanDerWaalsContact CE-OD2 3.29Å; M264-D281 WeakPolarHBondContact CE-OD2 3.49Å; Y277-D281 WeakPolarHBondContact O-CB 3.4Å; Y277-D281 PolarHBondContact O-N 2.86Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 3.46Å; D281-E284 WeakPolarHBondContact O-CB 3.47Å; D281-E284 PolarHBondContact O-N 3.25Å; D281-E284 VanDerWaalsContact O-N 3.08Å; D281-Y285 HydrophobicContact CB-CD2 4.37Å; D281-Y285 HydrophobicContact CB-CE2 3.95Å; D281-Y285 WeakPolarHBondContact O-CD2 3.49Å; D281-Y285 PolarHBondContact O-N 3.37Å; D281-M453 WeakPolarHBondContact OD1-CG 3.43Å
282	G	98.4	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.5	-38.9	176.3	0	0	0	0	0	114.1	T278 I279 A280 Y285 C286	T278-G282 PolarHBondContact O-N 2.96Å; T278-G282 VanDerWaalsContact O-N 3.07Å; I279-G282 WeakPolarHBondContact O-CA 3.32Å; I279-G282 PolarHBondContact O-N 2.89Å; I279-G282 VanDerWaalsContact O-N 3.11Å; A280-G282 VanDerWaalsContact C-N 3.27Å; A280-G282 PolarHBondContact O-N 3.34Å; G282-Y285 PolarHBondContact O-N 3.46Å; G282-C286 PolarHBondContact O-N 2.9Å; G282-C286 PolarHBondContact O-SG 3.35Å; G282-C286 VanDerWaalsContact O-SG 3.37Å
283	L	98.6	Very high	96.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.4	-39	175.1	-60.9	177.8	0	0	0	111.7	I279 A280 D281 C286 R287 W327 L330 I331 M334 F335 I444 E448	I279-L283 WeakPolarHBondContact O-CG 3.36Å; I279-L283 PolarHBondContact O-N 3.23Å; A280-L283 WeakPolarHBondContact O-CB 3.08Å; A280-L283 PolarHBondContact O-N 3.15Å; A280-L283 VanDerWaalsContact O-N 3.16Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 3.46Å; L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.81Å; L283-R287 PolarHBondContact O-N 2.66Å; L283-W327 HydrophobicContact CD2-CZ3 4.44Å; L283-L330 HydrophobicContact CD1-CD1 4.38Å; L283-L330 HydrophobicContact CD2-CB 4.11Å; L283-I331 HydrophobicContact CD2-CD1 4.13Å; L283-M334 HydrophobicContact CD1-CE 4.14Å; L283-M334 HydrophobicContact CD1-SD 3.77Å; L283-M334 HydrophobicContact CD2-SD 3.88Å; L283-M334 HydrophobicContact CG-SD 4.39Å; L283-F335 HydrophobicContact CD2-CE2 3.9Å; L283-I444 HydrophobicContact CD1-CG2 4.1Å; L283-E448 HydrophobicContact CD1-CG 4.43Å
284	E	98.4	Very high	96.7	Very high	24 Å²	24	22 Å²	22	11%	0.112	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-41.6	175.1	-157.6	65	-102.6	0	0	111.8	L220 M237 A280 D281 C286 R287 T288 M453 A454	L220-E284 HydrophobicContact CD1-CB 3.88Å; L220-E284 HydrophobicContact CD1-CG 4.02Å; M237-E284 HydrophobicContact CE-CG 4.08Å; A280-E284 PolarHBondContact O-N 3.31Å; A280-E284 VanDerWaalsContact O-N 3.09Å; D281-E284 WeakPolarHBondContact O-CB 3.47Å; D281-E284 PolarHBondContact O-N 3.25Å; D281-E284 VanDerWaalsContact O-N 3.08Å; E284-C286 VanDerWaalsContact C-N 3.31Å; E284-C286 PolarHBondContact O-N 3.43Å; E284-R287 WeakPolarHBondContact O-CB 3.36Å; E284-R287 PolarHBondContact O-N 3.08Å; E284-R287 IonicContact OE1-CZ 3.21Å; E284-R287 IonicContact OE1-NE 3.73Å; E284-R287 PolarHBondContact OE1-NE 2.99Å; E284-R287 IonicContact OE1-NH2 3.06Å; E284-R287 IonicContact OE2-CZ 3.99Å; E284-R287 IonicContact OE2-NE 2.73Å; E284-R287 IonicContact OE2-NH2 3.95Å; E284-R287 PolarHBondContact OE2-NH2 2.76Å; E284-T288 WeakPolarHBondContact O-CB 3.46Å; E284-T288 PolarHBondContact O-N 2.93Å; E284-T288 PolarHBondContact O-OG1 3.04Å; E284-M453 PolarHBondContact OE2-N 3.12Å; E284-A454 HydrophobicContact CG-CB 3.89Å; E284-A454 PolarHBondContact OE2-N 2.77Å
285	Y	98.3	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.1	-34.2	173.7	-64.6	-49.5	0	0	0	112.4	D218 I219 L220 M237 I240 I257 I259 D281 G282 T288 G289	D218-Y285 WeakPolarHBondContact CA-OH 3.41Å; D218-Y285 WeakPolarHBondContact OD1-CE2 3.45Å; D218-Y285 PolarHBondContact OD1-OH 3.25Å; I219-Y285 PolarHBondContact N-OH 2.92Å; L220-Y285 WeakPolarHBondContact CB-OH 3.44Å; L220-Y285 HydrophobicContact CD1-CE1 4.1Å; L220-Y285 HydrophobicContact CD1-CE2 4.27Å; L220-Y285 HydrophobicContact CG-CE1 4.21Å; L220-Y285 WeakPolarHBondContact CG-OH 3.47Å; L220-Y285 PolarHBondContact N-OH 3.42Å; M237-Y285 HydrophobicContact CE-CD1 3.69Å; M237-Y285 HydrophobicContact CE-CE1 3.64Å; M237-Y285 HydrophobicContact SD-CD1 4.45Å; M237-Y285 HydrophobicContact SD-CE1 3.83Å; I240-Y285 HydrophobicContact CD1-CD1 4.21Å; I240-Y285 HydrophobicContact CD1-CE1 3.49Å; I240-Y285 VanDerWaalsContact CD1-CE1 3.49Å; I240-Y285 HydrophobicContact CG2-CD1 4.15Å; I240-Y285 HydrophobicContact CG2-CE1 4.47Å; I257-Y285 HydrophobicContact CD1-CD1 3.74Å; I257-Y285 HydrophobicContact CD1-CD2 3.48Å; I257-Y285 VanDerWaalsContact CD1-CD2 3.48Å; I257-Y285 HydrophobicContact CD1-CE1 3.88Å; I257-Y285 HydrophobicContact CD1-CE2 3.59Å; I257-Y285 HydrophobicContact CD1-CG 3.56Å; I259-Y285 HydrophobicContact CG1-CD2 4.01Å; I259-Y285 HydrophobicContact CG2-CD2 4.37Å; I259-Y285 HydrophobicContact CG2-CE2 4.43Å; D281-Y285 HydrophobicContact CB-CD2 4.37Å; D281-Y285 HydrophobicContact CB-CE2 3.95Å; D281-Y285 WeakPolarHBondContact O-CD2 3.49Å; D281-Y285 PolarHBondContact O-N 3.37Å; G282-Y285 PolarHBondContact O-N 3.46Å; Y285-T288 WeakPolarHBondContact O-CB 3.47Å; Y285-T288 PolarHBondContact O-N 3.34Å; Y285-G289 PolarHBondContact O-N 2.8Å
286	C	98.1	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-46.2	170.8	-76	0	0	0	0	111.8	G282 L283 E284 T288 G289 L290 I296 F299 F335	G282-C286 PolarHBondContact O-N 2.9Å; G282-C286 PolarHBondContact O-SG 3.35Å; G282-C286 VanDerWaalsContact O-SG 3.37Å; L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.81Å; E284-C286 VanDerWaalsContact C-N 3.31Å; E284-C286 PolarHBondContact O-N 3.43Å; C286-T288 VanDerWaalsContact C-N 3.29Å; C286-T288 PolarHBondContact O-N 3.4Å; C286-G289 PolarHBondContact O-N 2.77Å; C286-L290 WeakPolarHBondContact O-CG 3.47Å; C286-L290 PolarHBondContact O-N 2.65Å; C286-L290 VanDerWaalsContact O-N 3.07Å; C286-I296 HydrophobicContact CB-CD1 4.14Å; C286-F299 HydrophobicContact CB-CZ 4.3Å; C286-F299 WeakPolarHBondContact O-CZ 3.38Å; C286-F335 HydrophobicContact CB-CD2 4.25Å; C286-F335 HydrophobicContact CB-CE1 4.17Å; C286-F335 HydrophobicContact CB-CE2 3.57Å; C286-F335 HydrophobicContact CB-CZ 3.52Å
287	R	97.8	Very high	96.3	Very high	63 Å²	63	27.8 Å²	27.8	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-41.8	173.6	-71.6	-176.2	-78.1	-98.7	6.8	111.9	L283 E284 G289 L290 Q291 F335 E448	L283-R287 PolarHBondContact O-N 2.66Å; E284-R287 WeakPolarHBondContact O-CB 3.36Å; E284-R287 PolarHBondContact O-N 3.08Å; E284-R287 IonicContact OE1-CZ 3.21Å; E284-R287 IonicContact OE1-NE 3.73Å; E284-R287 PolarHBondContact OE1-NE 2.99Å; E284-R287 IonicContact OE1-NH2 3.06Å; E284-R287 IonicContact OE2-CZ 3.99Å; E284-R287 IonicContact OE2-NE 2.73Å; E284-R287 IonicContact OE2-NH2 3.95Å; E284-R287 PolarHBondContact OE2-NH2 2.76Å; R287-G289 PolarHBondContact O-N 3.31Å; R287-L290 PolarHBondContact O-N 2.69Å; R287-Q291 WeakPolarHBondContact O-CB 3.34Å; R287-Q291 PolarHBondContact O-N 2.97Å; R287-F335 HydrophobicContact CG-CE1 4.28Å; R287-F335 HydrophobicContact CG-CZ 4.31Å; R287-E448 IonicContact CZ-OE1 3.92Å; R287-E448 IonicContact CZ-OE2 2.74Å; R287-E448 IonicContact NH1-OE1 3.62Å; R287-E448 PolarHBondContact NH1-OE1 3Å; R287-E448 VanDerWaalsContact NH1-OE1 3.1Å; R287-E448 IonicContact NH1-OE2 3.59Å; R287-E448 PolarHBondContact NH1-OE2 2.53Å; R287-E448 IonicContact NH2-OE1 3.42Å; R287-E448 PolarHBondContact NH2-OE1 3.19Å; R287-E448 IonicContact NH2-OE2 3.94Å
288	T	95.8	Very high	95.9	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-45.2	176.6	-55.9	0	0	0	0	111.9	M237 I240 A241 E284 Y285 C286 L290 Q291 A292	M237-T288 HydrophobicContact CE-CG2 4.38Å; M237-T288 WeakPolarHBondContact CE-OG1 3.27Å; I240-T288 HydrophobicContact CG2-CG2 4.46Å; A241-T288 HydrophobicContact CB-CG2 3.81Å; E284-T288 WeakPolarHBondContact O-CB 3.46Å; E284-T288 PolarHBondContact O-N 2.93Å; E284-T288 PolarHBondContact O-OG1 3.04Å; Y285-T288 WeakPolarHBondContact O-CB 3.47Å; Y285-T288 PolarHBondContact O-N 3.34Å; C286-T288 VanDerWaalsContact C-N 3.29Å; C286-T288 PolarHBondContact O-N 3.4Å; T288-L290 VanDerWaalsContact C-N 3.35Å; T288-L290 PolarHBondContact O-N 2.99Å; T288-Q291 PolarHBondContact O-N 3.15Å; T288-A292 PolarHBondContact O-N 2.94Å
289	G	94.7	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-41	175.5	0	0	0	0	0	112.9	Y285 C286 R287 A292 L294	Y285-G289 PolarHBondContact O-N 2.8Å; C286-G289 PolarHBondContact O-N 2.77Å; R287-G289 PolarHBondContact O-N 3.31Å; G289-A292 WeakPolarHBondContact O-CB 3.41Å; G289-A292 PolarHBondContact O-N 3.37Å; G289-L294 WeakPolarHBondContact O-CB 3.42Å; G289-L294 PolarHBondContact O-N 3.42Å
290	L	96.3	Very high	95.2	Very high	71 Å²	71	32.9 Å²	32.9	37%	0.372	18%	0.182	S	C	.	.	H	α-helix	trans	-65	-41.9	175	-64.2	178	0	0	0	112.2	C286 R287 T288 A292 G293 L294 F335	C286-L290 WeakPolarHBondContact O-CG 3.47Å; C286-L290 PolarHBondContact O-N 2.65Å; C286-L290 VanDerWaalsContact O-N 3.07Å; R287-L290 PolarHBondContact O-N 2.69Å; T288-L290 VanDerWaalsContact C-N 3.35Å; T288-L290 PolarHBondContact O-N 2.99Å; L290-A292 PolarHBondContact O-N 3.17Å; L290-G293 PolarHBondContact O-N 3.44Å; L290-L294 WeakPolarHBondContact CA-O 3.29Å; L290-L294 VanDerWaalsContact CD2-O 3.24Å; L290-L294 WeakPolarHBondContact CD2-O 3.41Å; L290-F335 HydrophobicContact CD1-CD1 3.58Å; L290-F335 HydrophobicContact CD1-CE1 3.77Å
291	Q	90.7	Very high	94.9	Very high	176 Å²	176	33.2 Å²	33.2	82%	0.822	19%	0.185	S	C	*	.	H	α-helix	trans	-64	-28.7	176.2	-171	178.5	5.2	0	0	112.1	R287 T288 G293	R287-Q291 WeakPolarHBondContact O-CB 3.34Å; R287-Q291 PolarHBondContact O-N 2.97Å; T288-Q291 PolarHBondContact O-N 3.15Å; Q291-G293 PolarHBondContact O-N 3.34Å
292	A	87.6	Confident	94.6	Very high	23 Å²	23	37.1 Å²	37.1	19%	0.19	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.3	172.8	0	0	0	0	0	113.9	A241 T288 G289 L290	A241-A292 HydrophobicContact CB-CB 3.96Å; T288-A292 PolarHBondContact O-N 2.94Å; G289-A292 WeakPolarHBondContact O-CB 3.41Å; G289-A292 PolarHBondContact O-N 3.37Å; L290-A292 PolarHBondContact O-N 3.17Å
293	G	91.9	Very high	94.4	Very high	65 Å²	65	37.3 Å²	37.3	67%	0.67	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	9.8	-180	0	0	0	0	0	114.7	L290 Q291	L290-G293 PolarHBondContact O-N 3.44Å; Q291-G293 PolarHBondContact O-N 3.34Å
294	L	93.4	Very high	94.3	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.099	21%	0.205	C	C	.	.			trans	-86.9	148.6	173.9	-54.7	174.5	0	0	0	110.1	F244 A248 G289 L290 F299	F244-L294 HydrophobicContact CB-CD1 3.85Å; A248-L294 HydrophobicContact CB-CD1 4.38Å; A248-L294 HydrophobicContact CB-CD2 4.23Å; G289-L294 WeakPolarHBondContact O-CB 3.42Å; G289-L294 PolarHBondContact O-N 3.42Å; L290-L294 WeakPolarHBondContact CA-O 3.29Å; L290-L294 VanDerWaalsContact CD2-O 3.24Å; L290-L294 WeakPolarHBondContact CD2-O 3.41Å; L294-F299 HydrophobicContact CB-CD1 3.86Å; L294-F299 HydrophobicContact CB-CE1 4.39Å; L294-F299 HydrophobicContact CD1-CB 4.18Å; L294-F299 HydrophobicContact CD1-CD1 4.22Å; L294-F299 HydrophobicContact CD1-CG 4.43Å
295	T	95.8	Very high	94.3	Very high	76 Å²	76	36.8 Å²	36.8	47%	0.466	20%	0.199	S	C	.	.			trans	-80.8	155.2	164.7	65.8	0	0	0	0	110.2	D297 E298 F299	T295-D297 PolarHBondContact O-N 2.65Å; T295-D297 VanDerWaalsContact O-N 3.14Å; T295-E298 WeakPolarHBondContact CB-OE2 3.22Å; T295-E298 PolarHBondContact N-OE2 3.31Å; T295-E298 PolarHBondContact O-N 3.15Å; T295-E298 VanDerWaalsContact OG1-CD 3.27Å; T295-E298 VanDerWaalsContact OG1-CG 3.3Å; T295-E298 WeakPolarHBondContact OG1-CG 3.47Å; T295-E298 PolarHBondContact OG1-OE2 3.36Å; T295-F299 WeakPolarHBondContact O-CD1 3.45Å; T295-F299 WeakPolarHBondContact O-CE1 3.39Å
296	I	96.5	Very high	94.3	Very high	11 Å²	11	37 Å²	37	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-54.7	-36.4	179.3	-169.1	64.3	0	0	0	112.5	C286 E298 F299 A300 I331 F335 P337	C286-I296 HydrophobicContact CB-CD1 4.14Å; I296-E298 VanDerWaalsContact C-N 3.32Å; I296-E298 PolarHBondContact O-N 3.43Å; I296-F299 HydrophobicContact CD1-CE1 4.2Å; I296-F299 HydrophobicContact CD1-CE2 4.4Å; I296-F299 HydrophobicContact CD1-CZ 3.74Å; I296-A300 HydrophobicContact CD1-CB 3.98Å; I296-A300 HydrophobicContact CG1-CB 4.04Å; I296-A300 WeakPolarHBondContact O-CB 3.5Å; I296-A300 PolarHBondContact O-N 3.25Å; I296-I331 HydrophobicContact CG1-CG2 4.35Å; I296-F335 HydrophobicContact CB-CB 4.23Å; I296-F335 HydrophobicContact CD1-CB 4.19Å; I296-F335 HydrophobicContact CD1-CD2 4.28Å; I296-F335 HydrophobicContact CD1-CG 4.21Å; I296-F335 HydrophobicContact CG1-CB 3.91Å; I296-F335 HydrophobicContact CG1-CG 4.47Å; I296-F335 HydrophobicContact CG2-CB 4.45Å; I296-P337 HydrophobicContact CG2-CB 3.76Å
297	D	95.9	Very high	94.3	Very high	36 Å²	36	37 Å²	37	19%	0.193	20%	0.2	C	C	.	.	H	α-helix	trans	-75.2	-18.1	-177.6	-70.1	-39.3	0	0	0	113.9	T295 P301 P337 K338 N339 S342	T295-D297 PolarHBondContact O-N 2.65Å; T295-D297 VanDerWaalsContact O-N 3.14Å; D297-P301 VanDerWaalsContact O-CD 3.3Å; D297-P301 WeakPolarHBondContact O-CD 3.29Å; D297-P301 WeakPolarHBondContact O-CG 3.29Å; D297-P337 VanDerWaalsContact OD1-CB 3.27Å; D297-P337 WeakPolarHBondContact OD1-CB 3.36Å; D297-K338 WeakPolarHBondContact OD2-CA 3.38Å; D297-K338 VanDerWaalsContact OD2-CB 3.32Å; D297-K338 WeakPolarHBondContact OD2-CB 3.12Å; D297-K338 PolarHBondContact OD2-N 2.82Å; D297-N339 HydrophobicContact CB-CB 4.26Å; D297-N339 VanDerWaalsContact OD1-CB 3.27Å; D297-N339 WeakPolarHBondContact OD1-CB 3.16Å; D297-N339 PolarHBondContact OD1-N 2.96Å; D297-N339 VanDerWaalsContact OD1-N 3.11Å; D297-N339 PolarHBondContact OD2-N 2.77Å; D297-S342 WeakPolarHBondContact OD1-CB 3.38Å; D297-S342 PolarHBondContact OD1-OG 3.11Å
298	E	91.2	Very high	94.4	Very high	106 Å²	106	34 Å²	34	50%	0.495	19%	0.189	S	C	.	.	H	α-helix	trans	-75.9	-32.4	178.1	-77.5	166	135.6	0	0	112.1	T295 I296	T295-E298 WeakPolarHBondContact CB-OE2 3.22Å; T295-E298 PolarHBondContact N-OE2 3.31Å; T295-E298 PolarHBondContact O-N 3.15Å; T295-E298 VanDerWaalsContact OG1-CD 3.27Å; T295-E298 VanDerWaalsContact OG1-CG 3.3Å; T295-E298 WeakPolarHBondContact OG1-CG 3.47Å; T295-E298 PolarHBondContact OG1-OE2 3.36Å; I296-E298 VanDerWaalsContact C-N 3.32Å; I296-E298 PolarHBondContact O-N 3.43Å
299	F	90.1	Very high	94.5	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.039	19%	0.186	C	C	.	.	H	α-helix	trans	-121.8	-28	-175.3	76	-87.1	0	0	0	115.2	C286 L294 T295 I296 P301 R302 L303	C286-F299 HydrophobicContact CB-CZ 4.3Å; C286-F299 WeakPolarHBondContact O-CZ 3.38Å; L294-F299 HydrophobicContact CB-CD1 3.86Å; L294-F299 HydrophobicContact CB-CE1 4.39Å; L294-F299 HydrophobicContact CD1-CB 4.18Å; L294-F299 HydrophobicContact CD1-CD1 4.22Å; L294-F299 HydrophobicContact CD1-CG 4.43Å; T295-F299 WeakPolarHBondContact O-CD1 3.45Å; T295-F299 WeakPolarHBondContact O-CE1 3.39Å; I296-F299 HydrophobicContact CD1-CE1 4.2Å; I296-F299 HydrophobicContact CD1-CE2 4.4Å; I296-F299 HydrophobicContact CD1-CZ 3.74Å; F299-P301 VanDerWaalsContact C-CD 3.42Å; F299-P301 VanDerWaalsContact C-N 3.29Å; F299-R302 WeakPolarHBondContact O-CA 3.36Å; F299-R302 WeakPolarHBondContact O-CB 3.32Å; F299-R302 PolarHBondContact O-N 3.42Å; F299-L303 HydrophobicContact CD2-CD1 4.29Å; F299-L303 HydrophobicContact CD2-CD2 4.05Å; F299-L303 HydrophobicContact CD2-CG 4.24Å; F299-L303 HydrophobicContact CE2-CD1 4.08Å; F299-L303 HydrophobicContact CE2-CD2 4.37Å; F299-L303 PolarHBondContact O-N 2.74Å
300	A	92.1	Very high	94.7	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.7	-36.6	179	0	0	0	0	0	113.9	I296 R302 L303 R346	I296-A300 HydrophobicContact CD1-CB 3.98Å; I296-A300 HydrophobicContact CG1-CB 4.04Å; I296-A300 WeakPolarHBondContact O-CB 3.5Å; I296-A300 PolarHBondContact O-N 3.25Å; A300-R302 PolarHBondContact O-N 2.73Å; A300-L303 HydrophobicContact CB-CD1 4.31Å; A300-L303 PolarHBondContact O-N 2.79Å; A300-L303 VanDerWaalsContact O-N 3.12Å; A300-R346 PolarHBondContact O-NH2 2.74Å; A300-R346 VanDerWaalsContact O-NH2 3.08Å
301	P	93.1	Very high	94.8	Very high	8 Å²	8	34 Å²	34	5%	0.052	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10.4	172.9	-26.9	38.5	0	0	0	115.2	D297 F299 K341 R346	D297-P301 VanDerWaalsContact O-CD 3.3Å; D297-P301 WeakPolarHBondContact O-CD 3.29Å; D297-P301 WeakPolarHBondContact O-CG 3.29Å; F299-P301 VanDerWaalsContact C-CD 3.42Å; F299-P301 VanDerWaalsContact C-N 3.29Å; P301-K341 HydrophobicContact CB-CB 4.45Å; P301-K341 HydrophobicContact CG-CB 4.36Å; P301-R346 VanDerWaalsContact O-CZ 3.29Å; P301-R346 PolarHBondContact O-NH2 3.42Å
302	R	91.1	Very high	95.2	Very high	81 Å²	81	27.2 Å²	27.2	31%	0.306	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-106	-8.5	176.7	-60	-59.9	87.5	79.2	8.8	114.1	P252 F254 N255 F299 A300	P252-R302 WeakPolarHBondContact O-CD 3.39Å; P252-R302 PolarHBondContact O-NH1 2.57Å; P252-R302 VanDerWaalsContact O-NH1 3.12Å; F254-R302 WeakPolarHBondContact O-CD 3.36Å; N255-R302 WeakPolarHBondContact CA-O 3.47Å; N255-R302 WeakPolarHBondContact CB-O 3.33Å; N255-R302 PolarHBondContact OD1-O 2.93Å; F299-R302 WeakPolarHBondContact O-CA 3.36Å; F299-R302 WeakPolarHBondContact O-CB 3.32Å; F299-R302 PolarHBondContact O-N 3.42Å; A300-R302 PolarHBondContact O-N 2.73Å
303	L	95.1	Very high	95.7	Very high	4 Å²	4	28 Å²	28	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.9	173.6	-60	178	0	0	0	109.7	F244 I257 I259 F299 A300 W327 R346	F244-L303 HydrophobicContact CZ-CD2 4.4Å; I257-L303 HydrophobicContact CG2-CD2 3.2Å; I257-L303 HydrophobicContact CG2-CG 4.48Å; I259-L303 HydrophobicContact CD1-CB 4.34Å; I259-L303 HydrophobicContact CD1-CD1 4.48Å; I259-L303 HydrophobicContact CD1-CD2 4.46Å; F299-L303 HydrophobicContact CD2-CD1 4.29Å; F299-L303 HydrophobicContact CD2-CD2 4.05Å; F299-L303 HydrophobicContact CD2-CG 4.24Å; F299-L303 HydrophobicContact CE2-CD1 4.08Å; F299-L303 HydrophobicContact CE2-CD2 4.37Å; F299-L303 PolarHBondContact O-N 2.74Å; A300-L303 HydrophobicContact CB-CD1 4.31Å; A300-L303 PolarHBondContact O-N 2.79Å; A300-L303 VanDerWaalsContact O-N 3.12Å; L303-W327 HydrophobicContact CD1-CH2 4.03Å; L303-W327 HydrophobicContact CD1-CZ2 3.87Å; L303-R346 PolarHBondContact O-NH2 3.25Å
304	S	95.9	Very high	96.1	Very high	13 Å²	13	29.6 Å²	29.6	9%	0.091	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	162.2	171.9	60.2	0	0	0	0	109.2	I257 S258 I259 R346	I257-S304 PolarHBondContact O-N 3.2Å; I257-S304 PolarHBondContact O-OG 3.17Å; S258-S304 CarbonylContact C-O 3.5Å; S258-S304 WeakPolarHBondContact CA-O 3.35Å; I259-S304 PolarHBondContact N-O 3.15Å; S304-R346 CarbonylContact C-O 3.48Å; S304-R346 WeakPolarHBondContact CA-O 3.44Å
305	F	98.5	Very high	96.3	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.1	-177.5	-72.4	-100.2	0	0	0	110.3	I259 T278 I279 W307 W327 L345 R346 A347 H348	I259-F305 HydrophobicContact CB-CD1 3.91Å; I259-F305 HydrophobicContact CB-CE1 3.92Å; I259-F305 HydrophobicContact CB-CG 4.44Å; I259-F305 HydrophobicContact CB-CZ 4.48Å; I259-F305 HydrophobicContact CD1-CE1 3.89Å; I259-F305 HydrophobicContact CD1-CE2 4.01Å; I259-F305 HydrophobicContact CD1-CZ 3.61Å; I259-F305 HydrophobicContact CG2-CD1 4.24Å; I259-F305 HydrophobicContact CG2-CE1 4Å; I259-F305 CarbonylContact O-C 3.57Å; I259-F305 WeakPolarHBondContact O-CA 3.26Å; T278-F305 HydrophobicContact CG2-CD1 3.99Å; T278-F305 HydrophobicContact CG2-CE1 4.41Å; I279-F305 HydrophobicContact CD1-CE1 3.92Å; I279-F305 HydrophobicContact CD1-CZ 4.44Å; F305-W307 HydrophobicContact CD1-CZ2 4.15Å; F305-W327 HydrophobicContact CE1-CE3 4.34Å; F305-W327 HydrophobicContact CE1-CZ3 4.42Å; F305-W327 HydrophobicContact CE2-CD2 4.17Å; F305-W327 AromaticContact CE2-CE2 3.99Å; F305-W327 HydrophobicContact CE2-CE3 4.47Å; F305-W327 HydrophobicContact CE2-CH2 4.39Å; F305-W327 HydrophobicContact CE2-CZ2 4.11Å; F305-W327 AromaticContact CZ-CD2 3.73Å; F305-W327 HydrophobicContact CZ-CD2 3.73Å; F305-W327 AromaticContact CZ-CE2 3.89Å; F305-W327 AromaticContact CZ-CE3 3.6Å; F305-W327 HydrophobicContact CZ-CE3 3.6Å; F305-W327 HydrophobicContact CZ-CG 4.47Å; F305-W327 AromaticContact CZ-CH2 3.79Å; F305-W327 HydrophobicContact CZ-CH2 3.79Å; F305-W327 AromaticContact CZ-CZ2 3.93Å; F305-W327 HydrophobicContact CZ-CZ2 3.93Å; F305-W327 AromaticContact CZ-CZ3 3.65Å; F305-W327 HydrophobicContact CZ-CZ3 3.65Å; F305-L345 HydrophobicContact CB-CD2 3.79Å; F305-L345 HydrophobicContact CB-CG 4.28Å; F305-L345 HydrophobicContact CD1-CD1 4.31Å; F305-L345 HydrophobicContact CD1-CG 4.23Å; F305-L345 HydrophobicContact CD2-CB 4.35Å; F305-L345 HydrophobicContact CD2-CD1 4.36Å; F305-L345 HydrophobicContact CD2-CD2 3.85Å; F305-L345 HydrophobicContact CD2-CG 3.47Å; F305-L345 VanDerWaalsContact CD2-CG 3.47Å; F305-L345 HydrophobicContact CE1-CD1 4.42Å; F305-L345 HydrophobicContact CE1-CG 4.49Å; F305-L345 HydrophobicContact CE2-CB 4.36Å; F305-L345 HydrophobicContact CE2-CD1 4.45Å; F305-L345 HydrophobicContact CE2-CG 3.76Å; F305-L345 HydrophobicContact CG-CD1 4.27Å; F305-L345 HydrophobicContact CG-CD2 3.8Å; F305-L345 HydrophobicContact CG-CG 3.72Å; F305-L345 HydrophobicContact CZ-CD1 4.48Å; F305-L345 HydrophobicContact CZ-CG 4.26Å; F305-R346 PolarHBondContact N-O 3.48Å; F305-A347 HydrophobicContact CB-CB 4.39Å; F305-A347 CarbonylContact O-C 3.49Å; F305-A347 VanDerWaalsContact O-CA 3.32Å; F305-A347 WeakPolarHBondContact O-CA 3.07Å; F305-H348 PolarHBondContact O-N 3.31Å
306	F	98.5	Very high	96.5	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	108.7	179.2	174.5	-150.6	0	0	0	111.8	S258 I259 S260 G261 Y262 H263 H348 Q350	S258-F306 WeakPolarHBondContact OG-CB 3.35Å; I259-F306 PolarHBondContact O-N 3.12Å; S260-F306 CarbonylContact C-O 3.55Å; S260-F306 WeakPolarHBondContact CA-O 3.35Å; G261-F306 PolarHBondContact N-O 3.18Å; Y262-F306 VanDerWaalsContact CB-CE1 3.48Å; Y262-F306 VanDerWaalsContact CB-CZ 3.4Å; Y262-F306 AromaticContact CD1-CE1 3.75Å; Y262-F306 HydrophobicContact CD1-CE1 3.75Å; Y262-F306 AromaticContact CD1-CZ 3.65Å; Y262-F306 HydrophobicContact CD1-CZ 3.65Å; Y262-F306 HydrophobicContact CD2-CE2 4.08Å; Y262-F306 AromaticContact CD2-CZ 3.78Å; Y262-F306 HydrophobicContact CD2-CZ 3.78Å; Y262-F306 HydrophobicContact CE1-CZ 4.4Å; Y262-F306 AromaticContact CG-CE1 3.69Å; Y262-F306 HydrophobicContact CG-CE1 3.69Å; Y262-F306 AromaticContact CG-CE2 3.9Å; Y262-F306 HydrophobicContact CG-CE2 3.9Å; Y262-F306 AromaticContact CG-CZ 3.31Å; Y262-F306 HydrophobicContact CG-CZ 3.31Å; Y262-F306 PolarHBondContact N-O 3.29Å; Y262-F306 VanDerWaalsContact N-O 3.11Å; H263-F306 AromaticContact CE1-CD1 3.93Å; H263-F306 AromaticContact CE1-CE1 3.72Å; F306-H348 WeakPolarHBondContact CA-O 3.37Å; F306-H348 HydrophobicContact CD2-CB 4.14Å; F306-H348 AromaticContact CD2-CD2 3.33Å; F306-H348 WeakPolarHBondContact CD2-CD2 3.39Å; F306-H348 AromaticContact CE2-CD2 3.36Å; F306-H348 WeakPolarHBondContact CE2-CD2 3.28Å; F306-H348 AromaticContact CE2-NE2 3.9Å; F306-Q350 HydrophobicContact CE2-CB 3.48Å; F306-Q350 VanDerWaalsContact CE2-CB 3.48Å; F306-Q350 HydrophobicContact CZ-CB 3.73Å
307	W	98.8	Very high	96.6	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.6	-179.6	-57	121.5	0	0	0	112.1	E274 L275 T278 F305 I309 L345 H348 C349 Q350	E274-W307 HydrophobicContact CG-CE3 4.04Å; E274-W307 HydrophobicContact CG-CZ3 4.12Å; L275-W307 HydrophobicContact CD1-CH2 3.76Å; L275-W307 HydrophobicContact CD1-CZ2 4.15Å; T278-W307 VanDerWaalsContact CB-CZ3 3.43Å; T278-W307 HydrophobicContact CG2-CE3 4.39Å; T278-W307 HydrophobicContact CG2-CH2 3.56Å; T278-W307 HydrophobicContact CG2-CZ2 4.43Å; T278-W307 HydrophobicContact CG2-CZ3 3.55Å; T278-W307 WeakPolarHBondContact OG1-CZ3 3.35Å; F305-W307 HydrophobicContact CD1-CZ2 4.15Å; W307-I309 HydrophobicContact CB-CD1 4.47Å; W307-L345 HydrophobicContact CZ2-CD1 4.15Å; W307-H348 PolarHBondContact N-O 3.45Å; W307-C349 WeakPolarHBondContact O-CA 3.37Å; W307-Q350 PolarHBondContact O-N 3.19Å
308	G	98.6	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	156.3	158	0	0	0	0	0	110.7	Q265 E274 K319 Q350	Q265-G308 PolarHBondContact OE1-O 3.06Å; E274-G308 PolarHBondContact OE1-N 3.09Å; G308-K319 PolarHBondContact O-NZ 3.22Å; G308-Q350 CarbonylContact C-O 3.59Å; G308-Q350 WeakPolarHBondContact CA-O 3.38Å
309	I	98.9	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	104.5	178.4	-54.4	-70.4	0	0	0	108	W307 E316 M320 C349 Q350 T351 S352 E371 A374 A375	W307-I309 HydrophobicContact CB-CD1 4.47Å; I309-E316 HydrophobicContact CD1-CB 4.28Å; I309-E316 HydrophobicContact CG2-CB 4.06Å; I309-E316 HydrophobicContact CG2-CG 4.01Å; I309-M320 HydrophobicContact CD1-CG 4.38Å; I309-M320 HydrophobicContact CD1-SD 3.76Å; I309-C349 HydrophobicContact CD1-CB 4.43Å; I309-C349 HydrophobicContact CG1-CB 3.82Å; I309-Q350 PolarHBondContact N-O 3.3Å; I309-T351 CarbonylContact O-C 3.59Å; I309-T351 WeakPolarHBondContact O-CA 3.48Å; I309-S352 PolarHBondContact O-N 2.94Å; I309-E371 HydrophobicContact CG2-CB 4.13Å; I309-E371 WeakPolarHBondContact CG2-O 3.35Å; I309-E371 WeakPolarHBondContact O-CG 3.41Å; I309-A374 HydrophobicContact CG2-CB 3.81Å; I309-A375 HydrophobicContact CD1-CB 4.39Å; I309-A375 HydrophobicContact CG1-CB 3.94Å; I309-A375 HydrophobicContact CG2-CB 4.46Å
310	G	98.5	Very high	97.5	Very high	6 Å²	6	17.6 Å²	17.6	6%	0.062	8%	0.081	C	C	.	.			trans	-96.6	-170.4	177.3	0	0	0	0	0	113.6	N312 E316	G310-N312 VanDerWaalsContact C-N 3.29Å; G310-N312 PolarHBondContact O-N 3.11Å; G310-E316 PolarHBondContact N-OE1 3.07Å
311	M	98.7	Very high	97.8	Very high	73 Å²	73	17.6 Å²	17.6	36%	0.36	8%	0.08	S	C	.	.	S	Bend	trans	-72.3	-10.7	-171	-69.8	-60.9	-59.7	0	0	115.8	F313 R367 I370 E371	M311-F313 VanDerWaalsContact C-N 3.25Å; M311-F313 PolarHBondContact O-N 3.1Å; M311-R367 HydrophobicContact CE-CB 4.41Å; M311-R367 HydrophobicContact CE-CG 4.15Å; M311-R367 HydrophobicContact SD-CB 3.64Å; M311-R367 HydrophobicContact SD-CG 3.84Å; M311-I370 HydrophobicContact CE-CD1 4.08Å; M311-I370 HydrophobicContact CE-CG2 4.36Å; M311-E371 HydrophobicContact SD-CG 3.93Å
312	N	98.6	Very high	98.1	Very high	33 Å²	33	17.2 Å²	17.2	18%	0.176	8%	0.078	C	C	.	.			trans	-80.5	75.8	176.2	-168.3	-16.1	0	0	0	110.7	W59 G310 Y314 M315 E316	W59-N312 WeakPolarHBondContact CH2-ND2 3.17Å; W59-N312 WeakPolarHBondContact CH2-OD1 3.36Å; G310-N312 VanDerWaalsContact C-N 3.29Å; G310-N312 PolarHBondContact O-N 3.11Å; N312-Y314 VanDerWaalsContact C-N 3.32Å; N312-Y314 PolarHBondContact O-N 3.34Å; N312-Y314 VanDerWaalsContact O-N 3.15Å; N312-M315 HydrophobicContact CB-CB 3.97Å; N312-M315 WeakPolarHBondContact ND2-CB 3.28Å; N312-M315 PolarHBondContact O-N 2.95Å; N312-M315 WeakPolarHBondContact OD1-CB 3.32Å; N312-M315 PolarHBondContact OD1-N 2.94Å; N312-E316 WeakPolarHBondContact O-CG 3.32Å; N312-E316 PolarHBondContact O-N 2.95Å
313	F	98.9	Very high	98.5	Very high	39 Å²	39	13.3 Å²	13.3	17%	0.171	6%	0.063	C	C	.	.	H	α-helix	trans	-47.2	-47.4	-171.2	-179.6	-91.6	0	0	0	114.4	M311 I317 I370 M373 A374 F377 W423	M311-F313 VanDerWaalsContact C-N 3.25Å; M311-F313 PolarHBondContact O-N 3.1Å; F313-I317 HydrophobicContact CD1-CD1 3.75Å; F313-I317 HydrophobicContact CE1-CD1 3.33Å; F313-I317 HydrophobicContact CE2-CD1 4.26Å; F313-I317 HydrophobicContact CG-CD1 4.39Å; F313-I317 HydrophobicContact CZ-CD1 3.64Å; F313-I317 WeakPolarHBondContact O-CD1 3.28Å; F313-I317 WeakPolarHBondContact O-CG1 3.43Å; F313-I317 PolarHBondContact O-N 3.2Å; F313-I370 HydrophobicContact CB-CG2 4.41Å; F313-I370 HydrophobicContact CD2-CG2 3.98Å; F313-M373 HydrophobicContact CE2-CB 3.89Å; F313-A374 HydrophobicContact CD2-CB 3.7Å; F313-A374 HydrophobicContact CE2-CB 4.08Å; F313-A374 HydrophobicContact CG-CB 4.37Å; F313-F377 HydrophobicContact CE1-CD2 4.46Å; F313-F377 AromaticContact CE2-CD2 3.99Å; F313-F377 HydrophobicContact CE2-CD2 3.99Å; F313-F377 HydrophobicContact CE2-CE2 4.31Å; F313-F377 AromaticContact CZ-CD2 3.46Å; F313-F377 HydrophobicContact CZ-CD2 3.46Å; F313-F377 VanDerWaalsContact CZ-CD2 3.46Å; F313-F377 AromaticContact CZ-CE2 3.71Å; F313-F377 HydrophobicContact CZ-CE2 3.71Å; F313-W423 AromaticContact CE1-CZ2 3.92Å; F313-W423 HydrophobicContact CE1-CZ2 3.92Å; F313-W423 HydrophobicContact CZ-CZ2 4.49Å
314	Y	98.9	Very high	98.7	Very high	99 Å²	99	13.3 Å²	13.3	39%	0.388	6%	0.063	S	C	.	.	H	α-helix	trans	-70.9	-41	-178.5	-60	-52.7	0	0	0	112.6	N312 E316 I317 A318 W423 M428 M429	N312-Y314 VanDerWaalsContact C-N 3.32Å; N312-Y314 PolarHBondContact O-N 3.34Å; N312-Y314 VanDerWaalsContact O-N 3.15Å; Y314-E316 VanDerWaalsContact C-N 3.32Å; Y314-E316 PolarHBondContact O-N 3.07Å; Y314-I317 PolarHBondContact O-N 3.47Å; Y314-A318 WeakPolarHBondContact O-CB 3.5Å; Y314-A318 PolarHBondContact O-N 3.29Å; Y314-W423 AromaticContact CE1-CH2 3.94Å; Y314-W423 HydrophobicContact CE1-CH2 3.94Å; Y314-W423 HydrophobicContact CE1-CZ3 4.43Å; Y314-M428 HydrophobicContact CD1-CE 3.37Å; Y314-M428 HydrophobicContact CD2-CE 3.98Å; Y314-M428 HydrophobicContact CE1-CE 3.64Å; Y314-M428 HydrophobicContact CE2-CE 4.23Å; Y314-M428 HydrophobicContact CG-CE 3.55Å; Y314-M428 HydrophobicContact CG-SD 4.39Å; Y314-M429 HydrophobicContact CD1-CE 3.92Å
315	M	98.9	Very high	98.8	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-63.1	-40.4	179.2	-171.6	61.9	71.6	0	0	111.2	T61 E63 I65 I67 A271 N312 A318 K319 L432 V436	T61-M315 HydrophobicContact CG2-CE 4.31Å; E63-M315 HydrophobicContact CB-CE 4.2Å; E63-M315 HydrophobicContact CG-CE 3.94Å; E63-M315 HydrophobicContact CG-CG 4.33Å; E63-M315 HydrophobicContact CG-SD 4.19Å; I65-M315 HydrophobicContact CB-CE 4.39Å; I65-M315 HydrophobicContact CD1-CE 4.17Å; I65-M315 HydrophobicContact CD1-SD 4.4Å; I67-M315 HydrophobicContact CD1-CE 4.42Å; A271-M315 HydrophobicContact CB-CG 3.54Å; A271-M315 HydrophobicContact CB-SD 4.28Å; N312-M315 HydrophobicContact CB-CB 3.97Å; N312-M315 WeakPolarHBondContact ND2-CB 3.28Å; N312-M315 PolarHBondContact O-N 2.95Å; N312-M315 WeakPolarHBondContact OD1-CB 3.32Å; N312-M315 PolarHBondContact OD1-N 2.94Å; M315-A318 PolarHBondContact O-N 3.1Å; M315-K319 WeakPolarHBondContact O-CB 3.35Å; M315-K319 PolarHBondContact O-N 3.33Å; M315-L432 HydrophobicContact CE-CD1 3.9Å; M315-L432 HydrophobicContact SD-CD1 4.19Å; M315-V436 HydrophobicContact SD-CG2 3.47Å; M315-V436 WeakPolarHBondContact SD-CG2 3.29Å
316	E	98.9	Very high	98.8	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.019	6%	0.061	C	C	.	.	H	α-helix	trans	-67	-40.5	-180	-63.4	-64.6	-174.7	0	0	112.9	Q265 I309 G310 N312 Y314 A318 K319 M320 A374	Q265-E316 PolarHBondContact NE2-OE1 2.9Å; I309-E316 HydrophobicContact CD1-CB 4.28Å; I309-E316 HydrophobicContact CG2-CB 4.06Å; I309-E316 HydrophobicContact CG2-CG 4.01Å; G310-E316 PolarHBondContact N-OE1 3.07Å; N312-E316 WeakPolarHBondContact O-CG 3.32Å; N312-E316 PolarHBondContact O-N 2.95Å; Y314-E316 VanDerWaalsContact C-N 3.32Å; Y314-E316 PolarHBondContact O-N 3.07Å; E316-A318 VanDerWaalsContact C-N 3.35Å; E316-K319 PolarHBondContact O-N 2.74Å; E316-K319 WeakPolarHBondContact OE2-CE 3.48Å; E316-K319 IonicContact OE2-NZ 3.64Å; E316-K319 PolarHBondContact OE2-NZ 3.06Å; E316-M320 WeakPolarHBondContact O-CG 3.41Å; E316-M320 PolarHBondContact O-N 3.02Å; E316-A374 HydrophobicContact CB-CB 4.13Å
317	I	98.9	Very high	98.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-47.1	173.7	-63.9	166.3	0	0	0	109.7	F313 Y314 M320 R321 A374 F377 M429	F313-I317 HydrophobicContact CD1-CD1 3.75Å; F313-I317 HydrophobicContact CE1-CD1 3.33Å; F313-I317 HydrophobicContact CE2-CD1 4.26Å; F313-I317 HydrophobicContact CG-CD1 4.39Å; F313-I317 HydrophobicContact CZ-CD1 3.64Å; F313-I317 WeakPolarHBondContact O-CD1 3.28Å; F313-I317 WeakPolarHBondContact O-CG1 3.43Å; F313-I317 PolarHBondContact O-N 3.2Å; Y314-I317 PolarHBondContact O-N 3.47Å; I317-M320 PolarHBondContact O-N 3.18Å; I317-R321 VanDerWaalsContact O-CG 3.29Å; I317-R321 WeakPolarHBondContact O-CG 3.27Å; I317-R321 PolarHBondContact O-N 3.25Å; I317-A374 HydrophobicContact CG1-CB 4.27Å; I317-F377 HydrophobicContact CD1-CB 3.71Å; I317-F377 HydrophobicContact CD1-CD2 4.27Å; I317-F377 HydrophobicContact CD1-CG 4.35Å; I317-F377 HydrophobicContact CG1-CB 3.88Å; I317-F377 HydrophobicContact CG2-CB 4.48Å; I317-M429 HydrophobicContact CB-CE 3.84Å; I317-M429 HydrophobicContact CB-SD 3.92Å; I317-M429 HydrophobicContact CD1-CE 4.1Å; I317-M429 HydrophobicContact CG2-CE 3.76Å; I317-M429 HydrophobicContact CG2-CG 4.26Å; I317-M429 HydrophobicContact CG2-SD 3.59Å; I317-M429 VanDerWaalsContact CG2-SD 3.59Å
318	A	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-42.5	178.3	0	0	0	0	0	112.3	Y314 M315 E316 M320 R321 A322 M429 L432 V436	Y314-A318 WeakPolarHBondContact O-CB 3.5Å; Y314-A318 PolarHBondContact O-N 3.29Å; M315-A318 PolarHBondContact O-N 3.1Å; E316-A318 VanDerWaalsContact C-N 3.35Å; A318-M320 PolarHBondContact O-N 2.99Å; A318-R321 PolarHBondContact O-N 2.98Å; A318-A322 WeakPolarHBondContact O-CB 3.35Å; A318-A322 PolarHBondContact O-N 3.05Å; A318-M429 HydrophobicContact CB-SD 4.03Å; A318-L432 HydrophobicContact CB-CB 4.21Å; A318-L432 HydrophobicContact CB-CD2 3.85Å; A318-L432 HydrophobicContact CB-CG 3.61Å; A318-V436 HydrophobicContact CB-CG2 4.17Å
319	K	98.9	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-54.3	-49.7	176.8	-173.2	-173	77.7	-166.9	0	111.7	A271 E274 L275 G308 M315 E316 G323	A271-K319 HydrophobicContact CB-CD 4.01Å; A271-K319 HydrophobicContact CB-CG 4.46Å; E274-K319 IonicContact OE1-NZ 3.44Å; E274-K319 PolarHBondContact OE1-NZ 3.07Å; E274-K319 VanDerWaalsContact OE1-NZ 3.11Å; E274-K319 IonicContact OE2-NZ 3.81Å; E274-K319 PolarHBondContact OE2-NZ 2.91Å; L275-K319 HydrophobicContact CB-CG 4.13Å; L275-K319 HydrophobicContact CD2-CG 4.49Å; G308-K319 PolarHBondContact O-NZ 3.22Å; M315-K319 WeakPolarHBondContact O-CB 3.35Å; M315-K319 PolarHBondContact O-N 3.33Å; E316-K319 PolarHBondContact O-N 2.74Å; E316-K319 WeakPolarHBondContact OE2-CE 3.48Å; E316-K319 IonicContact OE2-NZ 3.64Å; E316-K319 PolarHBondContact OE2-NZ 3.06Å; K319-G323 PolarHBondContact O-N 3.48Å
320	M	98.9	Very high	98.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-67.2	-39.4	-178.9	-66.7	-178.5	68.4	0	0	112.8	I309 E316 I317 A318 R324 C349	I309-M320 HydrophobicContact CD1-CG 4.38Å; I309-M320 HydrophobicContact CD1-SD 3.76Å; E316-M320 WeakPolarHBondContact O-CG 3.41Å; E316-M320 PolarHBondContact O-N 3.02Å; I317-M320 PolarHBondContact O-N 3.18Å; A318-M320 PolarHBondContact O-N 2.99Å; M320-R324 PolarHBondContact O-N 2.86Å; M320-R324 PolarHBondContact O-NH1 3.23Å; M320-C349 WeakPolarHBondContact CE-SG 3.49Å
321	R	98.9	Very high	98.8	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-65.5	-49.2	176.4	-67.4	173.4	87.9	-111.7	-0	111.1	T90 I317 A318 G323 R324 R325 D421 E430 T433	T90-R321 HydrophobicContact CG2-CB 3.91Å; I317-R321 VanDerWaalsContact O-CG 3.29Å; I317-R321 WeakPolarHBondContact O-CG 3.27Å; I317-R321 PolarHBondContact O-N 3.25Å; A318-R321 PolarHBondContact O-N 2.98Å; R321-G323 PolarHBondContact O-N 3Å; R321-R324 PolarHBondContact O-N 3.12Å; R321-R325 PolarHBondContact O-N 3.4Å; R321-D421 IonicContact CZ-OD2 3.6Å; R321-D421 IonicContact NE-OD1 3.78Å; R321-D421 PolarHBondContact NE-OD1 2.87Å; R321-D421 IonicContact NE-OD2 3.97Å; R321-D421 IonicContact NH2-OD2 3.1Å; R321-D421 PolarHBondContact NH2-OD2 2.73Å; R321-E430 IonicContact CZ-OE1 3.49Å; R321-E430 IonicContact CZ-OE2 2.83Å; R321-E430 IonicContact NH1-OE1 2.82Å; R321-E430 IonicContact NH1-OE2 3.62Å; R321-E430 PolarHBondContact NH1-OE2 3.13Å; R321-E430 IonicContact NH2-OE1 3.79Å; R321-E430 PolarHBondContact NH2-OE1 3.29Å; R321-E430 IonicContact NH2-OE2 2.83Å; R321-E430 PolarHBondContact NH2-OE2 2.82Å; R321-T433 HydrophobicContact CB-CG2 3.73Å; R321-T433 PolarHBondContact NH1-OG1 3.28Å
322	A	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-43	178.1	0	0	0	0	0	111.4	L275 A318 R324 R325 L326 T433 V436	L275-A322 HydrophobicContact CD2-CB 4.16Å; A318-A322 WeakPolarHBondContact O-CB 3.35Å; A318-A322 PolarHBondContact O-N 3.05Å; A322-R324 PolarHBondContact O-N 3.41Å; A322-R325 WeakPolarHBondContact O-CB 3.43Å; A322-R325 PolarHBondContact O-N 3.41Å; A322-L326 VanDerWaalsContact O-CB 3.26Å; A322-L326 WeakPolarHBondContact O-CB 3.35Å; A322-L326 PolarHBondContact O-N 2.8Å; A322-T433 HydrophobicContact CB-CG2 4.07Å; A322-V436 HydrophobicContact CB-CB 4.13Å; A322-V436 HydrophobicContact CB-CG1 3.75Å
323	G	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-39	-179.3	0	0	0	0	0	113.8	L275 K319 R321 L326 W327 L345	L275-G323 VanDerWaalsContact CD1-CA 3.45Å; K319-G323 PolarHBondContact O-N 3.48Å; R321-G323 PolarHBondContact O-N 3Å; G323-L326 PolarHBondContact O-N 3.07Å; G323-W327 VanDerWaalsContact O-CB 3.31Å; G323-W327 WeakPolarHBondContact O-CB 3.34Å; G323-W327 PolarHBondContact O-N 3.36Å; G323-L345 WeakPolarHBondContact O-CD1 3.43Å
324	R	98.9	Very high	98.7	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.015	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-47	174	-72.7	-173.6	-69.2	-88.6	4.9	111.9	F89 T90 M320 R321 A322 A328 L345 G378	F89-R324 WeakPolarHBondContact O-CB 3.23Å; F89-R324 WeakPolarHBondContact O-CD 3.02Å; F89-R324 PolarHBondContact O-NE 3.18Å; T90-R324 PolarHBondContact O-NE 3.21Å; T90-R324 VanDerWaalsContact O-NE 3.15Å; T90-R324 PolarHBondContact O-NH2 3.36Å; M320-R324 PolarHBondContact O-N 2.86Å; M320-R324 PolarHBondContact O-NH1 3.23Å; R321-R324 PolarHBondContact O-N 3.12Å; A322-R324 PolarHBondContact O-N 3.41Å; R324-A328 WeakPolarHBondContact O-CB 3.45Å; R324-A328 PolarHBondContact O-N 2.93Å; R324-L345 HydrophobicContact CG-CB 4.09Å; R324-L345 HydrophobicContact CG-CD2 4.45Å; R324-G378 PolarHBondContact NH1-O 2.9Å; R324-G378 PolarHBondContact NH2-O 3.1Å
325	R	98.9	Very high	98.7	Very high	17 Å²	17	20.2 Å²	20.2	6%	0.064	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-47.4	178	-175.2	-172.7	-70.8	172	-8.5	111.3	E82 P88 T90 R321 A322 A328 H329 N434 Y437	E82-R325 IonicContact OE1-CZ 2.94Å; E82-R325 IonicContact OE1-NE 3.6Å; E82-R325 PolarHBondContact OE1-NE 3.29Å; E82-R325 IonicContact OE1-NH2 3.94Å; E82-R325 PolarHBondContact OE1-NH2 3.31Å; P88-R325 HydrophobicContact CB-CB 4.49Å; P88-R325 HydrophobicContact CB-CG 3.94Å; P88-R325 HydrophobicContact CG-CG 3.91Å; P88-R325 WeakPolarHBondContact O-CA 3.34Å; T90-R325 PolarHBondContact OG1-NE 3.2Å; T90-R325 PolarHBondContact OG1-NH2 3.42Å; R321-R325 PolarHBondContact O-N 3.4Å; A322-R325 WeakPolarHBondContact O-CB 3.43Å; A322-R325 PolarHBondContact O-N 3.41Å; R325-A328 PolarHBondContact O-N 3.08Å; R325-H329 VanDerWaalsContact O-CG 3.3Å; R325-H329 PolarHBondContact O-N 3Å; R325-N434 PolarHBondContact NH1-OD1 2.83Å; R325-Y437 HydrophobicContact CB-CD2 4.18Å; R325-Y437 HydrophobicContact CB-CE2 4.33Å; R325-Y437 HydrophobicContact CG-CD2 3.98Å; R325-Y437 HydrophobicContact CG-CE2 3.82Å
326	L	98.7	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-49.3	-179.1	-168.5	59.9	0	0	0	111.7	L275 I279 A322 G323 A328 H329 L330 Y437 A440 L441 I444	L275-L326 HydrophobicContact CD1-CD2 4.46Å; L275-L326 HydrophobicContact CD2-CD2 4.29Å; L275-L326 HydrophobicContact CG-CD2 4.22Å; I279-L326 HydrophobicContact CG1-CD2 4.4Å; A322-L326 VanDerWaalsContact O-CB 3.26Å; A322-L326 WeakPolarHBondContact O-CB 3.35Å; A322-L326 PolarHBondContact O-N 2.8Å; G323-L326 PolarHBondContact O-N 3.07Å; L326-A328 PolarHBondContact O-N 3.24Å; L326-H329 PolarHBondContact O-N 3.44Å; L326-L330 HydrophobicContact CD1-CD1 4.07Å; L326-L330 HydrophobicContact CG-CD1 3.87Å; L326-L330 WeakPolarHBondContact O-CB 3.48Å; L326-L330 VanDerWaalsContact O-CG 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.44Å; L326-L330 PolarHBondContact O-N 3.48Å; L326-Y437 HydrophobicContact CB-CD2 3.94Å; L326-Y437 HydrophobicContact CB-CE2 3.96Å; L326-Y437 HydrophobicContact CD1-CD2 3.98Å; L326-Y437 HydrophobicContact CD1-CE2 3.64Å; L326-Y437 HydrophobicContact CG-CE2 4.42Å; L326-A440 HydrophobicContact CD2-CB 3.85Å; L326-L441 HydrophobicContact CD1-CB 3.81Å; L326-L441 HydrophobicContact CD1-CD1 3.87Å; L326-L441 HydrophobicContact CD1-CG 4.32Å; L326-I444 HydrophobicContact CD1-CD1 4.32Å; L326-I444 HydrophobicContact CD2-CD1 3.46Å; L326-I444 VanDerWaalsContact CD2-CD1 3.46Å; L326-I444 HydrophobicContact CG-CD1 3.95Å
327	W	98.8	Very high	98.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-57.9	-49.1	175.6	179.2	-105.9	0	0	0	112.5	I279 L283 L303 F305 G323 H329 L330 I331 L343 L345	I279-W327 HydrophobicContact CD1-CB 4.05Å; I279-W327 HydrophobicContact CD1-CE3 4.05Å; I279-W327 HydrophobicContact CG2-CE3 4.36Å; L283-W327 HydrophobicContact CD2-CZ3 4.44Å; L303-W327 HydrophobicContact CD1-CH2 4.03Å; L303-W327 HydrophobicContact CD1-CZ2 3.87Å; F305-W327 HydrophobicContact CE1-CE3 4.34Å; F305-W327 HydrophobicContact CE1-CZ3 4.42Å; F305-W327 HydrophobicContact CE2-CD2 4.17Å; F305-W327 AromaticContact CE2-CE2 3.99Å; F305-W327 HydrophobicContact CE2-CE3 4.47Å; F305-W327 HydrophobicContact CE2-CH2 4.39Å; F305-W327 HydrophobicContact CE2-CZ2 4.11Å; F305-W327 AromaticContact CZ-CD2 3.73Å; F305-W327 HydrophobicContact CZ-CD2 3.73Å; F305-W327 AromaticContact CZ-CE2 3.89Å; F305-W327 AromaticContact CZ-CE3 3.6Å; F305-W327 HydrophobicContact CZ-CE3 3.6Å; F305-W327 HydrophobicContact CZ-CG 4.47Å; F305-W327 AromaticContact CZ-CH2 3.79Å; F305-W327 HydrophobicContact CZ-CH2 3.79Å; F305-W327 AromaticContact CZ-CZ2 3.93Å; F305-W327 HydrophobicContact CZ-CZ2 3.93Å; F305-W327 AromaticContact CZ-CZ3 3.65Å; F305-W327 HydrophobicContact CZ-CZ3 3.65Å; G323-W327 VanDerWaalsContact O-CB 3.31Å; G323-W327 WeakPolarHBondContact O-CB 3.34Å; G323-W327 PolarHBondContact O-N 3.36Å; W327-H329 VanDerWaalsContact C-N 3.33Å; W327-H329 PolarHBondContact O-N 3.04Å; W327-L330 PolarHBondContact O-N 3.25Å; W327-I331 HydrophobicContact CD2-CD1 4.27Å; W327-I331 HydrophobicContact CD2-CG1 3.68Å; W327-I331 VanDerWaalsContact CE2-CG1 3.41Å; W327-I331 HydrophobicContact CE3-CD1 4.17Å; W327-I331 HydrophobicContact CE3-CG1 4.02Å; W327-I331 HydrophobicContact CG-CG1 4.26Å; W327-I331 HydrophobicContact CH2-CD1 3.52Å; W327-I331 HydrophobicContact CH2-CG1 3.97Å; W327-I331 HydrophobicContact CZ2-CD1 3.58Å; W327-I331 HydrophobicContact CZ2-CG1 3.58Å; W327-I331 HydrophobicContact CZ3-CD1 3.8Å; W327-I331 HydrophobicContact CZ3-CG1 4.15Å; W327-I331 WeakPolarHBondContact O-CB 3.42Å; W327-I331 WeakPolarHBondContact O-CG1 3.46Å; W327-I331 PolarHBondContact O-N 3.31Å; W327-L343 VanDerWaalsContact CD1-O 3.31Å; W327-L345 HydrophobicContact CB-CB 4.1Å; W327-L345 HydrophobicContact CB-CD1 3.9Å; W327-L345 HydrophobicContact CB-CG 4.49Å; W327-L345 HydrophobicContact CG-CB 4.01Å; W327-L345 HydrophobicContact CG-CD1 4.37Å
328	A	98.8	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-42	-179.6	0	0	0	0	0	112.1	P88 F89 R324 R325 L326 E332 L343	P88-A328 HydrophobicContact CB-CB 4.36Å; F89-A328 HydrophobicContact CD2-CB 3.97Å; F89-A328 HydrophobicContact CE2-CB 4.37Å; R324-A328 WeakPolarHBondContact O-CB 3.45Å; R324-A328 PolarHBondContact O-N 2.93Å; R325-A328 PolarHBondContact O-N 3.08Å; L326-A328 PolarHBondContact O-N 3.24Å; A328-E332 WeakPolarHBondContact O-CB 3.27Å; A328-E332 PolarHBondContact O-N 2.93Å; A328-L343 HydrophobicContact CB-CB 4.26Å
329	H	98.7	Very high	98.2	Very high	63 Å²	63	39.7 Å²	39.7	29%	0.292	18%	0.183	S	C	.	.	H	α-helix	trans	-65.3	-44.9	176.2	-69.6	168.6	0	0	0	112.5	R325 L326 W327 K333 Y437	R325-H329 VanDerWaalsContact O-CG 3.3Å; R325-H329 PolarHBondContact O-N 3Å; L326-H329 PolarHBondContact O-N 3.44Å; W327-H329 VanDerWaalsContact C-N 3.33Å; W327-H329 PolarHBondContact O-N 3.04Å; H329-K333 WeakPolarHBondContact O-CB 3.34Å; H329-K333 PolarHBondContact O-N 3.39Å; H329-Y437 AromaticContact ND1-CE2 3.59Å; H329-Y437 AromaticContact ND1-CZ 3.54Å; H329-Y437 PolarHBondContact ND1-OH 3.16Å
330	L	98.6	Very high	98	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-45.7	-177.1	-70.6	165.6	0	0	0	111.8	I279 L283 L326 W327 E332 K333 M334 L441 I444	I279-L330 HydrophobicContact CG2-CD1 3.47Å; I279-L330 VanDerWaalsContact CG2-CD1 3.47Å; L283-L330 HydrophobicContact CD1-CD1 4.38Å; L283-L330 HydrophobicContact CD2-CB 4.11Å; L326-L330 HydrophobicContact CD1-CD1 4.07Å; L326-L330 HydrophobicContact CG-CD1 3.87Å; L326-L330 WeakPolarHBondContact O-CB 3.48Å; L326-L330 VanDerWaalsContact O-CG 3.29Å; L326-L330 WeakPolarHBondContact O-CG 3.44Å; L326-L330 PolarHBondContact O-N 3.48Å; W327-L330 PolarHBondContact O-N 3.25Å; L330-E332 VanDerWaalsContact C-N 3.32Å; L330-E332 PolarHBondContact O-N 3.28Å; L330-K333 PolarHBondContact O-N 2.88Å; L330-M334 HydrophobicContact CB-SD 4.48Å; L330-M334 HydrophobicContact CD2-SD 4.28Å; L330-M334 VanDerWaalsContact O-CB 3.28Å; L330-M334 WeakPolarHBondContact O-CB 3.46Å; L330-M334 VanDerWaalsContact O-CG 3.32Å; L330-M334 WeakPolarHBondContact O-CG 3.48Å; L330-M334 PolarHBondContact O-N 3.46Å; L330-L441 HydrophobicContact CD2-CD1 4.3Å; L330-I444 HydrophobicContact CD1-CD1 3.94Å; L330-I444 HydrophobicContact CD1-CG2 4.19Å
331	I	98.5	Very high	97.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-41.3	178.8	-64.8	-57.4	0	0	0	111.6	L283 I296 W327 F335 Q336 P337 L343	L283-I331 HydrophobicContact CD2-CD1 4.13Å; I296-I331 HydrophobicContact CG1-CG2 4.35Å; W327-I331 HydrophobicContact CD2-CD1 4.27Å; W327-I331 HydrophobicContact CD2-CG1 3.68Å; W327-I331 VanDerWaalsContact CE2-CG1 3.41Å; W327-I331 HydrophobicContact CE3-CD1 4.17Å; W327-I331 HydrophobicContact CE3-CG1 4.02Å; W327-I331 HydrophobicContact CG-CG1 4.26Å; W327-I331 HydrophobicContact CH2-CD1 3.52Å; W327-I331 HydrophobicContact CH2-CG1 3.97Å; W327-I331 HydrophobicContact CZ2-CD1 3.58Å; W327-I331 HydrophobicContact CZ2-CG1 3.58Å; W327-I331 HydrophobicContact CZ3-CD1 3.8Å; W327-I331 HydrophobicContact CZ3-CG1 4.15Å; W327-I331 WeakPolarHBondContact O-CB 3.42Å; W327-I331 WeakPolarHBondContact O-CG1 3.46Å; W327-I331 PolarHBondContact O-N 3.31Å; I331-F335 HydrophobicContact CD1-CD2 3.61Å; I331-F335 HydrophobicContact CD1-CE2 3.74Å; I331-F335 HydrophobicContact CG2-CD2 4.43Å; I331-F335 PolarHBondContact O-N 2.9Å; I331-Q336 PolarHBondContact O-N 3.14Å; I331-P337 HydrophobicContact CG2-CG 3.98Å; I331-L343 HydrophobicContact CB-CD2 3.89Å; I331-L343 HydrophobicContact CG2-CD2 3.73Å
332	E	98.1	Very high	97.8	Very high	79 Å²	79	49 Å²	49	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-48.3	175.7	-173.1	178.4	-112.2	0	0	112	K87 A328 L330 M334 Q336 L343	K87-E332 WeakPolarHBondContact CE-OE1 3.43Å; K87-E332 VanDerWaalsContact CE-OE2 3.28Å; K87-E332 WeakPolarHBondContact CE-OE2 3.44Å; K87-E332 IonicContact NZ-OE1 2.81Å; K87-E332 PolarHBondContact NZ-OE1 3.14Å; K87-E332 IonicContact NZ-OE2 2.78Å; K87-E332 PolarHBondContact NZ-OE2 3.46Å; A328-E332 WeakPolarHBondContact O-CB 3.27Å; A328-E332 PolarHBondContact O-N 2.93Å; L330-E332 VanDerWaalsContact C-N 3.32Å; L330-E332 PolarHBondContact O-N 3.28Å; E332-M334 VanDerWaalsContact C-N 3.32Å; E332-M334 PolarHBondContact O-N 3.13Å; E332-Q336 PolarHBondContact O-N 3.09Å; E332-Q336 PolarHBondContact O-NE2 3.1Å; E332-L343 HydrophobicContact CB-CD2 4.01Å
333	K	97.9	Very high	97.7	Very high	155 Å²	155	49.6 Å²	49.6	67%	0.674	24%	0.237	S	C	*	.	H	α-helix	trans	-64.2	-35	-178.2	-177.5	-176	173.7	-167.8	0	112.7	H329 L330 Q336	H329-K333 WeakPolarHBondContact O-CB 3.34Å; H329-K333 PolarHBondContact O-N 3.39Å; L330-K333 PolarHBondContact O-N 2.88Å; K333-Q336 PolarHBondContact O-NE2 2.91Å
334	M	97.9	Very high	97.7	Very high	59 Å²	59	50.3 Å²	50.3	29%	0.291	24%	0.241	S	C	.	.	H	α-helix	trans	-100.4	-30.2	-170.8	-63.3	176.7	72.5	0	0	113.9	L283 L330 E332 Q336 E448	L283-M334 HydrophobicContact CD1-CE 4.14Å; L283-M334 HydrophobicContact CD1-SD 3.77Å; L283-M334 HydrophobicContact CD2-SD 3.88Å; L283-M334 HydrophobicContact CG-SD 4.39Å; L330-M334 HydrophobicContact CB-SD 4.48Å; L330-M334 HydrophobicContact CD2-SD 4.28Å; L330-M334 VanDerWaalsContact O-CB 3.28Å; L330-M334 WeakPolarHBondContact O-CB 3.46Å; L330-M334 VanDerWaalsContact O-CG 3.32Å; L330-M334 WeakPolarHBondContact O-CG 3.48Å; L330-M334 PolarHBondContact O-N 3.46Å; E332-M334 VanDerWaalsContact C-N 3.32Å; E332-M334 PolarHBondContact O-N 3.13Å; M334-Q336 VanDerWaalsContact C-NE2 3.31Å; M334-E448 WeakPolarHBondContact CE-OE2 3.46Å
335	F	97.8	Very high	97.6	Very high	30 Å²	30	50.3 Å²	50.3	13%	0.132	24%	0.241	C	C	.	.	H	α-helix	trans	-127	-6.7	-170.6	-53.5	-67.3	0	0	0	115.1	L283 C286 R287 L290 I296 I331	L283-F335 HydrophobicContact CD2-CE2 3.9Å; C286-F335 HydrophobicContact CB-CD2 4.25Å; C286-F335 HydrophobicContact CB-CE1 4.17Å; C286-F335 HydrophobicContact CB-CE2 3.57Å; C286-F335 HydrophobicContact CB-CZ 3.52Å; R287-F335 HydrophobicContact CG-CE1 4.28Å; R287-F335 HydrophobicContact CG-CZ 4.31Å; L290-F335 HydrophobicContact CD1-CD1 3.58Å; L290-F335 HydrophobicContact CD1-CE1 3.77Å; I296-F335 HydrophobicContact CB-CB 4.23Å; I296-F335 HydrophobicContact CD1-CB 4.19Å; I296-F335 HydrophobicContact CD1-CD2 4.28Å; I296-F335 HydrophobicContact CD1-CG 4.21Å; I296-F335 HydrophobicContact CG1-CB 3.91Å; I296-F335 HydrophobicContact CG1-CG 4.47Å; I296-F335 HydrophobicContact CG2-CB 4.45Å; I331-F335 HydrophobicContact CD1-CD2 3.61Å; I331-F335 HydrophobicContact CD1-CE2 3.74Å; I331-F335 HydrophobicContact CG2-CD2 4.43Å; I331-F335 PolarHBondContact O-N 2.9Å
336	Q	97.2	Very high	97.6	Very high	128 Å²	128	50.9 Å²	50.9	60%	0.598	24%	0.243	S	C	*	.			trans	44.7	56.1	175.1	-61.3	78.7	66.8	0	0	114.3	I331 E332 K333 M334	I331-Q336 PolarHBondContact O-N 3.14Å; E332-Q336 PolarHBondContact O-N 3.09Å; E332-Q336 PolarHBondContact O-NE2 3.1Å; K333-Q336 PolarHBondContact O-NE2 2.91Å; M334-Q336 VanDerWaalsContact C-NE2 3.31Å
337	P	97.5	Very high	97.5	Very high	25 Å²	25	51 Å²	51	16%	0.162	24%	0.244	C	C	.	.			trans	-63	150	-179.5	30.4	-36.8	0	0	0	111.7	I296 D297 I331 L343	I296-P337 HydrophobicContact CG2-CB 3.76Å; D297-P337 VanDerWaalsContact OD1-CB 3.27Å; D297-P337 WeakPolarHBondContact OD1-CB 3.36Å; I331-P337 HydrophobicContact CG2-CG 3.98Å; P337-L343 HydrophobicContact CG-CD2 3.55Å; P337-L343 HydrophobicContact CG-CG 4.13Å
338	K	97	Very high	97.4	Very high	203 Å²	203	52.1 Å²	52.1	88%	0.883	25%	0.249	S	C	*	.	S	Bend	trans	-90	-24.1	173.8	-58.6	176.2	-177.3	172.8	0	111.5	D297	D297-K338 WeakPolarHBondContact OD2-CA 3.38Å; D297-K338 VanDerWaalsContact OD2-CB 3.32Å; D297-K338 WeakPolarHBondContact OD2-CB 3.12Å; D297-K338 PolarHBondContact OD2-N 2.82Å
339	N	94.8	Very high	97.4	Very high	59 Å²	59	52.1 Å²	52.1	32%	0.316	25%	0.249	S	C	.	.	S	Bend	trans	-98.1	124.7	179.8	-172	-9.3	0	0	0	111	D297 K341 S342	D297-N339 HydrophobicContact CB-CB 4.26Å; D297-N339 VanDerWaalsContact OD1-CB 3.27Å; D297-N339 WeakPolarHBondContact OD1-CB 3.16Å; D297-N339 PolarHBondContact OD1-N 2.96Å; D297-N339 VanDerWaalsContact OD1-N 3.11Å; D297-N339 PolarHBondContact OD2-N 2.77Å; N339-K341 PolarHBondContact O-N 3.34Å; N339-K341 VanDerWaalsContact O-N 3.12Å; N339-K341 WeakPolarHBondContact OD1-CB 3.48Å; N339-K341 WeakPolarHBondContact OD1-CG 3.13Å; N339-K341 PolarHBondContact OD1-N 3.31Å; N339-S342 VanDerWaalsContact O-CB 3.28Å; N339-S342 WeakPolarHBondContact O-CB 3.43Å; N339-S342 PolarHBondContact O-N 3.19Å; N339-S342 PolarHBondContact O-OG 3.44Å
340	S	95.1	Very high	97.3	Very high	78 Å²	78	49.7 Å²	49.7	55%	0.545	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.7	176.1	60	0	0	0	0	113.1	S342 L343	S340-S342 PolarHBondContact O-N 2.94Å; S340-L343 WeakPolarHBondContact O-CB 3.45Å; S340-L343 PolarHBondContact O-N 3.23Å; S340-L343 VanDerWaalsContact O-N 3.15Å
341	K	94.9	Very high	97.3	Very high	120 Å²	120	49.3 Å²	49.3	52%	0.522	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-64.4	-22.3	176.7	-65	-176.7	-175.8	178.8	0	113.6	P301 N339 L343 L344	P301-K341 HydrophobicContact CB-CB 4.45Å; P301-K341 HydrophobicContact CG-CB 4.36Å; N339-K341 PolarHBondContact O-N 3.34Å; N339-K341 VanDerWaalsContact O-N 3.12Å; N339-K341 WeakPolarHBondContact OD1-CB 3.48Å; N339-K341 WeakPolarHBondContact OD1-CG 3.13Å; N339-K341 PolarHBondContact OD1-N 3.31Å; K341-L343 PolarHBondContact O-N 3.01Å; K341-L344 HydrophobicContact CB-CD1 4.36Å; K341-L344 HydrophobicContact CG-CD1 4.42Å; K341-L344 WeakPolarHBondContact O-CB 3.37Å; K341-L344 PolarHBondContact O-N 2.76Å
342	S	97.1	Very high	97.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-71.6	-20.5	177.7	-55.1	0	0	0	0	112.2	D297 N339 S340	D297-S342 WeakPolarHBondContact OD1-CB 3.38Å; D297-S342 PolarHBondContact OD1-OG 3.11Å; N339-S342 VanDerWaalsContact O-CB 3.28Å; N339-S342 WeakPolarHBondContact O-CB 3.43Å; N339-S342 PolarHBondContact O-N 3.19Å; N339-S342 PolarHBondContact O-OG 3.44Å; S340-S342 PolarHBondContact O-N 2.94Å
343	L	98.3	Very high	97.1	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.058	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-86.7	-4.5	176.7	-56.5	-179.6	0	0	0	113.4	K87 F89 W327 A328 I331 E332 P337 S340 K341	K87-L343 HydrophobicContact CD-CD1 4.19Å; K87-L343 HydrophobicContact CG-CD1 4.48Å; F89-L343 HydrophobicContact CE2-CB 3.73Å; F89-L343 HydrophobicContact CE2-CD1 4.48Å; W327-L343 VanDerWaalsContact CD1-O 3.31Å; A328-L343 HydrophobicContact CB-CB 4.26Å; I331-L343 HydrophobicContact CB-CD2 3.89Å; I331-L343 HydrophobicContact CG2-CD2 3.73Å; E332-L343 HydrophobicContact CB-CD2 4.01Å; P337-L343 HydrophobicContact CG-CD2 3.55Å; P337-L343 HydrophobicContact CG-CG 4.13Å; S340-L343 WeakPolarHBondContact O-CB 3.45Å; S340-L343 PolarHBondContact O-N 3.23Å; S340-L343 VanDerWaalsContact O-N 3.15Å; K341-L343 PolarHBondContact O-N 3.01Å
344	L	97.8	Very high	97	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.084	21%	0.206	C	C	.	.			trans	-82.8	124.4	-175.5	-63.1	178.4	0	0	0	111	F89 P93 K341	F89-L344 HydrophobicContact CD1-CD2 3.61Å; F89-L344 HydrophobicContact CD2-CD2 4.07Å; F89-L344 HydrophobicContact CE1-CD2 3.49Å; F89-L344 VanDerWaalsContact CE1-CD2 3.49Å; F89-L344 HydrophobicContact CE2-CD2 3.99Å; F89-L344 HydrophobicContact CG-CD2 3.9Å; F89-L344 HydrophobicContact CZ-CD2 3.69Å; P93-L344 HydrophobicContact CB-CD2 3.99Å; K341-L344 HydrophobicContact CB-CD1 4.36Å; K341-L344 HydrophobicContact CG-CD1 4.42Å; K341-L344 WeakPolarHBondContact O-CB 3.37Å; K341-L344 PolarHBondContact O-N 2.76Å
345	L	98.4	Very high	97	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.196	C	C	.	.			trans	-90.9	111.4	164.2	-172.1	170.1	0	0	0	108.6	I279 F305 W307 G323 R324 W327 A347	I279-L345 HydrophobicContact CD1-CD1 3.89Å; F305-L345 HydrophobicContact CB-CD2 3.79Å; F305-L345 HydrophobicContact CB-CG 4.28Å; F305-L345 HydrophobicContact CD1-CD1 4.31Å; F305-L345 HydrophobicContact CD1-CG 4.23Å; F305-L345 HydrophobicContact CD2-CB 4.35Å; F305-L345 HydrophobicContact CD2-CD1 4.36Å; F305-L345 HydrophobicContact CD2-CD2 3.85Å; F305-L345 HydrophobicContact CD2-CG 3.47Å; F305-L345 VanDerWaalsContact CD2-CG 3.47Å; F305-L345 HydrophobicContact CE1-CD1 4.42Å; F305-L345 HydrophobicContact CE1-CG 4.49Å; F305-L345 HydrophobicContact CE2-CB 4.36Å; F305-L345 HydrophobicContact CE2-CD1 4.45Å; F305-L345 HydrophobicContact CE2-CG 3.76Å; F305-L345 HydrophobicContact CG-CD1 4.27Å; F305-L345 HydrophobicContact CG-CD2 3.8Å; F305-L345 HydrophobicContact CG-CG 3.72Å; F305-L345 HydrophobicContact CZ-CD1 4.48Å; F305-L345 HydrophobicContact CZ-CG 4.26Å; W307-L345 HydrophobicContact CZ2-CD1 4.15Å; G323-L345 WeakPolarHBondContact O-CD1 3.43Å; R324-L345 HydrophobicContact CG-CB 4.09Å; R324-L345 HydrophobicContact CG-CD2 4.45Å; W327-L345 HydrophobicContact CB-CB 4.1Å; W327-L345 HydrophobicContact CB-CD1 3.9Å; W327-L345 HydrophobicContact CB-CG 4.49Å; W327-L345 HydrophobicContact CG-CB 4.01Å; W327-L345 HydrophobicContact CG-CD1 4.37Å; L345-A347 HydrophobicContact CD2-CB 3.99Å
346	R	96.9	Very high	97	Very high	28 Å²	28	39 Å²	39	11%	0.106	19%	0.192	C	C	.	.			trans	-104.9	121.6	175.4	-65.2	169.7	-67.3	-78.3	-8.2	109.1	Y94 A300 P301 L303 S304 F305 Q381	Y94-R346 VanDerWaalsContact OH-CD 3.27Å; Y94-R346 WeakPolarHBondContact OH-CD 3.49Å; A300-R346 PolarHBondContact O-NH2 2.74Å; A300-R346 VanDerWaalsContact O-NH2 3.08Å; P301-R346 VanDerWaalsContact O-CZ 3.29Å; P301-R346 PolarHBondContact O-NH2 3.42Å; L303-R346 PolarHBondContact O-NH2 3.25Å; S304-R346 CarbonylContact C-O 3.48Å; S304-R346 WeakPolarHBondContact CA-O 3.44Å; F305-R346 PolarHBondContact N-O 3.48Å; R346-Q381 HydrophobicContact CB-CG 4.47Å
347	A	96.5	Very high	96.9	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.3	-171.6	0	0	0	0	0	113.3	F305 L345 T380 Q381 S382	F305-A347 HydrophobicContact CB-CB 4.39Å; F305-A347 CarbonylContact O-C 3.49Å; F305-A347 VanDerWaalsContact O-CA 3.32Å; F305-A347 WeakPolarHBondContact O-CA 3.07Å; L345-A347 HydrophobicContact CD2-CB 3.99Å; A347-T380 PolarHBondContact O-OG1 3.33Å; A347-Q381 WeakPolarHBondContact O-CA 3.43Å; A347-Q381 WeakPolarHBondContact O-CB 3.47Å; A347-Q381 PolarHBondContact O-N 3.27Å; A347-S382 PolarHBondContact O-N 3.29Å
348	H	97.1	Very high	96.6	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.12	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	149.2	149.3	-179.3	54.6	0	0	0	109	F305 F306 W307 S382 H384	F305-H348 PolarHBondContact O-N 3.31Å; F306-H348 WeakPolarHBondContact CA-O 3.37Å; F306-H348 HydrophobicContact CD2-CB 4.14Å; F306-H348 AromaticContact CD2-CD2 3.33Å; F306-H348 WeakPolarHBondContact CD2-CD2 3.39Å; F306-H348 AromaticContact CE2-CD2 3.36Å; F306-H348 WeakPolarHBondContact CE2-CD2 3.28Å; F306-H348 AromaticContact CE2-NE2 3.9Å; W307-H348 PolarHBondContact N-O 3.45Å; H348-S382 CarbonylContact C-O 3.52Å; H348-S382 WeakPolarHBondContact CA-O 3.4Å; H348-S382 PolarHBondContact ND1-O 3.38Å; H348-S382 PolarHBondContact ND1-OG 3.04Å; H348-H384 PolarHBondContact CE1-N 3.21Å
349	C	98.4	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.4	169.6	-69.1	0	0	0	0	109.8	W307 I309 M320 A375 T380 S382 L383 H384	W307-C349 WeakPolarHBondContact O-CA 3.37Å; I309-C349 HydrophobicContact CD1-CB 4.43Å; I309-C349 HydrophobicContact CG1-CB 3.82Å; M320-C349 WeakPolarHBondContact CE-SG 3.49Å; C349-A375 HydrophobicContact CB-CB 3.89Å; C349-T380 PolarHBondContact N-OG1 3.5Å; C349-T380 PolarHBondContact SG-OG1 3.18Å; C349-S382 PolarHBondContact N-O 2.81Å; C349-L383 HydrophobicContact CB-CD1 3.92Å; C349-L383 CarbonylContact O-C 3.48Å; C349-L383 WeakPolarHBondContact O-CA 3.47Å; C349-L383 WeakPolarHBondContact O-CD1 3.5Å; C349-H384 PolarHBondContact O-N 2.82Å
350	Q	98.4	Very high	96.5	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.056	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.5	165.7	179.4	173.9	-14.5	0	0	108.3	Y262 F306 W307 G308 I309 H384 N386	Y262-Q350 HydrophobicContact CD2-CB 3.77Å; Y262-Q350 HydrophobicContact CD2-CG 4.2Å; Y262-Q350 HydrophobicContact CE2-CB 3.69Å; Y262-Q350 HydrophobicContact CE2-CG 3.59Å; Y262-Q350 PolarHBondContact OH-NE2 2.78Å; F306-Q350 HydrophobicContact CE2-CB 3.48Å; F306-Q350 VanDerWaalsContact CE2-CB 3.48Å; F306-Q350 HydrophobicContact CZ-CB 3.73Å; W307-Q350 PolarHBondContact O-N 3.19Å; G308-Q350 CarbonylContact C-O 3.59Å; G308-Q350 WeakPolarHBondContact CA-O 3.38Å; I309-Q350 PolarHBondContact N-O 3.3Å; Q350-H384 WeakPolarHBondContact CA-O 3.03Å; Q350-H384 HydrophobicContact CB-CB 4.04Å; Q350-H384 HydrophobicContact CG-CB 3.95Å; Q350-H384 WeakPolarHBondContact CG-ND1 3.12Å; Q350-H384 PolarHBondContact NE2-CE1 3.3Å; Q350-H384 VanDerWaalsContact NE2-CE1 3.28Å; Q350-H384 PolarHBondContact NE2-ND1 3.5Å; Q350-H384 VanDerWaalsContact NE2-ND1 3.12Å; Q350-H384 PolarHBondContact OE1-ND1 2.82Å; Q350-N386 PolarHBondContact NE2-OD1 3.14Å
351	T	98.6	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	147.9	170.8	55.7	0	0	0	0	109.8	I309 G353 T368 E371 H384 T385 N386	I309-T351 CarbonylContact O-C 3.59Å; I309-T351 WeakPolarHBondContact O-CA 3.48Å; T351-G353 PolarHBondContact O-N 3.07Å; T351-T368 HydrophobicContact CG2-CG2 4.02Å; T351-E371 WeakPolarHBondContact CB-OE2 3.21Å; T351-E371 HydrophobicContact CG2-CB 3.6Å; T351-H384 PolarHBondContact N-O 2.92Å; T351-H384 VanDerWaalsContact N-O 3.11Å; T351-T385 HydrophobicContact CG2-CG2 4.15Å; T351-N386 PolarHBondContact O-ND2 3.28Å; T351-N386 WeakPolarHBondContact OG1-CB 3.43Å; T351-N386 PolarHBondContact OG1-N 3.25Å; T351-N386 PolarHBondContact OG1-ND2 3.42Å; T351-N386 PolarHBondContact OG1-OD1 2.63Å
352	S	98.1	Very high	96.6	Very high	3 Å²	3	21 Å²	21	2%	0.021	10%	0.099	C	C	.	.			trans	-65.2	127	-175.3	179.9	0	0	0	0	111	E266 I309 W354 S355 N386	E266-S352 WeakPolarHBondContact OE1-CA 3.38Å; E266-S352 WeakPolarHBondContact OE1-CB 3.33Å; E266-S352 PolarHBondContact OE1-OG 3.15Å; I309-S352 PolarHBondContact O-N 2.94Å; S352-W354 PolarHBondContact OG-N 3.4Å; S352-S355 PolarHBondContact O-OG 2.83Å; S352-S355 VanDerWaalsContact O-OG 3.08Å; S352-S355 PolarHBondContact OG-N 2.85Å; S352-N386 PolarHBondContact O-ND2 2.77Å; S352-N386 VanDerWaalsContact O-ND2 3.14Å
353	G	94.5	Very high	96.6	Very high	12 Å²	12	23.1 Å²	23.1	12%	0.124	11%	0.111	C	C	.	.	S	Bend	trans	-71.2	-39.3	172.3	0	0	0	0	0	110.6	E266 T351 S355 L356 N386	E266-G353 PolarHBondContact OE1-N 2.96Å; E266-G353 VanDerWaalsContact OE2-CA 3.28Å; E266-G353 WeakPolarHBondContact OE2-CA 3.45Å; E266-G353 PolarHBondContact OE2-N 2.87Å; T351-G353 PolarHBondContact O-N 3.07Å; G353-S355 VanDerWaalsContact C-N 3.27Å; G353-S355 PolarHBondContact O-N 2.83Å; G353-L356 WeakPolarHBondContact O-CB 3.41Å; G353-L356 PolarHBondContact O-N 3.1Å; G353-L356 VanDerWaalsContact O-N 3.13Å; G353-N386 VanDerWaalsContact CA-ND2 3.3Å; G353-N386 WeakPolarHBondContact CA-ND2 3.47Å; G353-N386 PolarHBondContact N-ND2 3.18Å; G353-N386 VanDerWaalsContact N-ND2 3.18Å
354	W	95.7	Very high	96.6	Very high	67 Å²	67	22.6 Å²	22.6	25%	0.254	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.1	177.9	176.4	82.5	0	0	0	114.1	E266 S352 L356 R473 I477 R627	E266-W354 PolarHBondContact OE2-N 3.39Å; S352-W354 PolarHBondContact OG-N 3.4Å; W354-L356 PolarHBondContact O-N 3.24Å; W354-R473 HydrophobicContact CH2-CG 4.28Å; W354-R473 VanDerWaalsContact CZ3-NH1 3.3Å; W354-I477 HydrophobicContact CH2-CD1 3.72Å; W354-I477 HydrophobicContact CZ2-CD1 3.58Å; W354-R627 VanDerWaalsContact CD1-CZ 3.44Å; W354-R627 VanDerWaalsContact CD2-NH1 3.32Å; W354-R627 VanDerWaalsContact CE2-CZ 3.46Å; W354-R627 VanDerWaalsContact NE1-NH1 3.2Å
355	S	97.4	Very high	96.6	Very high	12 Å²	12	24.2 Å²	24.2	8%	0.084	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.4	178.3	76.5	0	0	0	0	113.1	S352 G353 R367 E371	S352-S355 PolarHBondContact O-OG 2.83Å; S352-S355 VanDerWaalsContact O-OG 3.08Å; S352-S355 PolarHBondContact OG-N 2.85Å; G353-S355 VanDerWaalsContact C-N 3.27Å; G353-S355 PolarHBondContact O-N 2.83Å; S355-R367 VanDerWaalsContact O-CD 3.31Å; S355-R367 WeakPolarHBondContact O-CD 3.29Å; S355-E371 VanDerWaalsContact CB-OE1 3.26Å; S355-E371 WeakPolarHBondContact CB-OE1 3.32Å; S355-E371 PolarHBondContact OG-OE1 3.48Å
356	L	96.7	Very high	96.7	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.063	14%	0.141	C	C	.	.			trans	-83.7	140.2	-177	-52.4	-169.9	0	0	0	110.9	G353 W354 N364 R367 N386 S387 E390	G353-L356 WeakPolarHBondContact O-CB 3.41Å; G353-L356 PolarHBondContact O-N 3.1Å; G353-L356 VanDerWaalsContact O-N 3.13Å; W354-L356 PolarHBondContact O-N 3.24Å; L356-N364 WeakPolarHBondContact CA-OD1 3.31Å; L356-N364 HydrophobicContact CB-CB 4.44Å; L356-N364 HydrophobicContact CD2-CB 3.86Å; L356-R367 HydrophobicContact CD2-CB 4.24Å; L356-N386 HydrophobicContact CD1-CB 3.56Å; L356-S387 WeakPolarHBondContact CD1-O 3.35Å; L356-E390 HydrophobicContact CD1-CB 3.91Å
357	T	95.6	Very high	96.7	Very high	10 Å²	10	28.1 Å²	28.1	6%	0.061	14%	0.14	C	C	.	.			trans	-107.4	144	-173.4	59.4	0	0	0	0	111.3	Q359 N364 R367 I484 V487	T357-Q359 WeakPolarHBondContact CB-O 3.45Å; T357-Q359 PolarHBondContact OG1-O 3.27Å; T357-N364 PolarHBondContact N-ND2 2.86Å; T357-N364 PolarHBondContact N-OD1 2.9Å; T357-N364 PolarHBondContact O-ND2 3.42Å; T357-N364 PolarHBondContact OG1-OD1 3.06Å; T357-R367 PolarHBondContact OG1-NH1 2.86Å; T357-I484 HydrophobicContact CG2-CG2 3.55Å; T357-V487 HydrophobicContact CG2-CG2 3.5Å; T357-V487 VanDerWaalsContact CG2-CG2 3.5Å
358	E	92.4	Very high	96.9	Very high	28 Å²	28	28.1 Å²	28.1	13%	0.131	14%	0.14	C	C	.	.	S	Bend	trans	-66.9	-43.5	168	156.2	170.2	-142.5	0	0	110.4	A391 L392 P722	E358-A391 HydrophobicContact CB-CB 4.37Å; E358-L392 HydrophobicContact CB-CD2 4.1Å; E358-L392 HydrophobicContact CG-CD2 3.61Å; E358-P722 HydrophobicContact CB-CB 4.06Å; E358-P722 HydrophobicContact CB-CG 4.27Å; E358-P722 WeakPolarHBondContact OE2-CD 3.39Å; E358-P722 WeakPolarHBondContact OE2-CG 3.5Å
359	Q	93.3	Very high	96.9	Very high	38 Å²	38	28.2 Å²	28.2	18%	0.178	15%	0.146	C	C	.	.	S	Bend	trans	-74.8	140.5	179.6	-59.2	80.9	4.2	0	0	111.4	T357 V487 E495 P722	T357-Q359 WeakPolarHBondContact CB-O 3.45Å; T357-Q359 PolarHBondContact OG1-O 3.27Å; Q359-V487 HydrophobicContact CB-CG2 4.29Å; Q359-E495 WeakPolarHBondContact CB-OE1 3.37Å; Q359-P722 PolarHBondContact NE2-O 2.67Å
360	D	94.8	Very high	97	Very high	42 Å²	42	31 Å²	31	23%	0.225	16%	0.16	C	C	.	.	S	Bend	trans	38.6	60.4	-176.6	-167.9	5.6	0	0	0	113	Y362 N363 L492 E495	D360-Y362 PolarHBondContact O-N 3.08Å; D360-Y362 VanDerWaalsContact O-N 3.08Å; D360-N363 WeakPolarHBondContact O-CB 3.17Å; D360-N363 PolarHBondContact O-N 3.09Å; D360-N363 VanDerWaalsContact O-N 3.08Å; D360-N363 PolarHBondContact O-ND2 3.33Å; D360-N363 PolarHBondContact OD2-ND2 3.16Å; D360-L492 HydrophobicContact CB-CD1 3.99Å; D360-L492 HydrophobicContact CB-CG 4.5Å; D360-E495 PolarHBondContact N-OE2 3.02Å
361	P	94.9	Very high	97	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.052	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.4	-162.9	27.6	-35	0	0	0	113.2	N363 N364 F388 V498	P361-N363 PolarHBondContact O-N 3.38Å; P361-N364 WeakPolarHBondContact O-CB 3.29Å; P361-N364 PolarHBondContact O-N 3.01Å; P361-N364 PolarHBondContact O-ND2 3.49Å; P361-F388 HydrophobicContact CB-CD2 4.29Å; P361-V498 HydrophobicContact CG-CG2 3.69Å
362	Y	96.8	Very high	97	Very high	109 Å²	109	30.4 Å²	30.4	43%	0.427	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.2	172.6	-76.2	-81.9	0	0	0	112.6	D360 N364 I365 F388 K398	D360-Y362 PolarHBondContact O-N 3.08Å; D360-Y362 VanDerWaalsContact O-N 3.08Å; Y362-N364 PolarHBondContact O-N 3.41Å; Y362-I365 HydrophobicContact CD1-CD1 3.78Å; Y362-I365 HydrophobicContact CE1-CD1 4.48Å; Y362-I365 WeakPolarHBondContact O-CB 3.13Å; Y362-I365 PolarHBondContact O-N 3.21Å; Y362-I365 VanDerWaalsContact O-N 3.11Å; Y362-F388 HydrophobicContact CE1-CE2 4.3Å; Y362-F388 HydrophobicContact CE1-CZ 4.31Å; Y362-K398 PolarHBondContact OH-NZ 3.34Å
363	N	98	Very high	97	Very high	44 Å²	44	33.4 Å²	33.4	24%	0.235	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-25.9	169.5	-72	-43.1	0	0	0	112.4	D360 P361 I365 V366 R367	D360-N363 WeakPolarHBondContact O-CB 3.17Å; D360-N363 PolarHBondContact O-N 3.09Å; D360-N363 VanDerWaalsContact O-N 3.08Å; D360-N363 PolarHBondContact O-ND2 3.33Å; D360-N363 PolarHBondContact OD2-ND2 3.16Å; P361-N363 PolarHBondContact O-N 3.38Å; N363-I365 PolarHBondContact O-N 3.33Å; N363-V366 PolarHBondContact O-N 3.11Å; N363-R367 PolarHBondContact O-N 2.84Å; N363-R367 VanDerWaalsContact O-N 3.08Å
364	N	98.2	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-24.6	177.4	-63.4	-27.9	0	0	0	112.7	L356 T357 P361 Y362 V366 R367 T368 F388	L356-N364 WeakPolarHBondContact CA-OD1 3.31Å; L356-N364 HydrophobicContact CB-CB 4.44Å; L356-N364 HydrophobicContact CD2-CB 3.86Å; T357-N364 PolarHBondContact N-ND2 2.86Å; T357-N364 PolarHBondContact N-OD1 2.9Å; T357-N364 PolarHBondContact O-ND2 3.42Å; T357-N364 PolarHBondContact OG1-OD1 3.06Å; P361-N364 WeakPolarHBondContact O-CB 3.29Å; P361-N364 PolarHBondContact O-N 3.01Å; P361-N364 PolarHBondContact O-ND2 3.49Å; Y362-N364 PolarHBondContact O-N 3.41Å; N364-V366 VanDerWaalsContact C-N 3.32Å; N364-V366 PolarHBondContact O-N 3.07Å; N364-R367 PolarHBondContact O-N 3.28Å; N364-R367 PolarHBondContact OD1-NH1 3.1Å; N364-T368 VanDerWaalsContact O-CB 3.26Å; N364-T368 WeakPolarHBondContact O-CB 3.24Å; N364-T368 PolarHBondContact O-N 3.27Å; N364-T368 PolarHBondContact O-OG1 2.76Å; N364-F388 HydrophobicContact CB-CB 3.94Å; N364-F388 PolarHBondContact ND2-O 2.8Å
365	I	98.6	Very high	97.4	Very high	51 Å²	51	29.6 Å²	29.6	26%	0.262	15%	0.153	S	C	.	.	H	α-helix	trans	-62.1	-44.1	172.9	-59.5	176.3	0	0	0	109.8	Y362 N363 A369 F388 I402	Y362-I365 HydrophobicContact CD1-CD1 3.78Å; Y362-I365 HydrophobicContact CE1-CD1 4.48Å; Y362-I365 WeakPolarHBondContact O-CB 3.13Å; Y362-I365 PolarHBondContact O-N 3.21Å; Y362-I365 VanDerWaalsContact O-N 3.11Å; N363-I365 PolarHBondContact O-N 3.33Å; I365-A369 WeakPolarHBondContact O-CB 2.91Å; I365-A369 PolarHBondContact O-N 2.73Å; I365-F388 HydrophobicContact CD1-CD1 4.48Å; I365-F388 HydrophobicContact CG1-CB 3.74Å; I365-F388 HydrophobicContact CG1-CD1 4.39Å; I365-F388 HydrophobicContact CG1-CG 4.21Å; I365-I402 HydrophobicContact CD1-CD1 4.31Å; I365-I402 HydrophobicContact CD1-CG2 4.08Å; I365-I402 HydrophobicContact CG1-CG2 4.07Å; I365-I402 HydrophobicContact CG2-CG2 4.09Å
366	V	98.9	Very high	97.5	Very high	88 Å²	88	29.1 Å²	29.1	53%	0.533	15%	0.15	S	C	.	.	H	α-helix	trans	-70	-44.1	179.4	-179	0	0	0	0	110.8	N363 N364 A369 I370	N363-V366 PolarHBondContact O-N 3.11Å; N364-V366 VanDerWaalsContact C-N 3.32Å; N364-V366 PolarHBondContact O-N 3.07Å; V366-A369 PolarHBondContact O-N 3.47Å; V366-I370 HydrophobicContact CG1-CD1 3.97Å; V366-I370 WeakPolarHBondContact O-CG1 3.17Å; V366-I370 PolarHBondContact O-N 3.26Å
367	R	98.8	Very high	97.6	Very high	25 Å²	25	30 Å²	30	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-55.6	-54	175.8	-66.2	-177.4	-177.9	107.7	0	111.2	M311 S355 L356 T357 N363 N364 A369 I370 E371 V485	M311-R367 HydrophobicContact CE-CB 4.41Å; M311-R367 HydrophobicContact CE-CG 4.15Å; M311-R367 HydrophobicContact SD-CB 3.64Å; M311-R367 HydrophobicContact SD-CG 3.84Å; S355-R367 VanDerWaalsContact O-CD 3.31Å; S355-R367 WeakPolarHBondContact O-CD 3.29Å; L356-R367 HydrophobicContact CD2-CB 4.24Å; T357-R367 PolarHBondContact OG1-NH1 2.86Å; N363-R367 PolarHBondContact O-N 2.84Å; N363-R367 VanDerWaalsContact O-N 3.08Å; N364-R367 PolarHBondContact O-N 3.28Å; N364-R367 PolarHBondContact OD1-NH1 3.1Å; R367-A369 VanDerWaalsContact C-N 3.28Å; R367-A369 PolarHBondContact O-N 3.48Å; R367-I370 PolarHBondContact O-N 3.23Å; R367-I370 VanDerWaalsContact O-N 3.09Å; R367-E371 WeakPolarHBondContact O-CG 3.47Å; R367-E371 PolarHBondContact O-N 2.84Å; R367-V485 PolarHBondContact NH2-O 2.85Å
368	T	98.8	Very high	97.7	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-37.2	179.3	-55.5	0	0	0	0	111.8	T351 N364 A372 T385	T351-T368 HydrophobicContact CG2-CG2 4.02Å; N364-T368 VanDerWaalsContact O-CB 3.26Å; N364-T368 WeakPolarHBondContact O-CB 3.24Å; N364-T368 PolarHBondContact O-N 3.27Å; N364-T368 PolarHBondContact O-OG1 2.76Å; T368-A372 WeakPolarHBondContact O-CB 3.19Å; T368-A372 PolarHBondContact O-N 3.32Å; T368-T385 HydrophobicContact CG2-CG2 3.98Å
369	A	98.9	Very high	98	Very high	29 Å²	29	28.4 Å²	28.4	24%	0.24	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-42.7	176.2	0	0	0	0	0	112.5	I365 V366 R367 A372 M373 T406	I365-A369 WeakPolarHBondContact O-CB 2.91Å; I365-A369 PolarHBondContact O-N 2.73Å; V366-A369 PolarHBondContact O-N 3.47Å; R367-A369 VanDerWaalsContact C-N 3.28Å; R367-A369 PolarHBondContact O-N 3.48Å; A369-A372 PolarHBondContact O-N 3.02Å; A369-M373 VanDerWaalsContact O-CG 3.29Å; A369-M373 WeakPolarHBondContact O-CG 3.41Å; A369-M373 PolarHBondContact O-N 3.23Å; A369-T406 HydrophobicContact CB-CG2 3.98Å
370	I	98.9	Very high	98.3	Very high	57 Å²	57	26.6 Å²	26.6	29%	0.292	14%	0.138	S	C	.	.	H	α-helix	trans	-64.3	-45.5	176.9	-68.7	166.2	0	0	0	110.5	M311 F313 V366 R367 M373 A374	M311-I370 HydrophobicContact CE-CD1 4.08Å; M311-I370 HydrophobicContact CE-CG2 4.36Å; F313-I370 HydrophobicContact CB-CG2 4.41Å; F313-I370 HydrophobicContact CD2-CG2 3.98Å; V366-I370 HydrophobicContact CG1-CD1 3.97Å; V366-I370 WeakPolarHBondContact O-CG1 3.17Å; V366-I370 PolarHBondContact O-N 3.26Å; R367-I370 PolarHBondContact O-N 3.23Å; R367-I370 VanDerWaalsContact O-N 3.09Å; I370-M373 PolarHBondContact O-N 2.78Å; I370-A374 PolarHBondContact O-N 3.17Å
371	E	98.9	Very high	98.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-43.2	177.8	-67.7	166.9	155.5	0	0	111.2	I309 M311 T351 S355 R367 M373 A374 A375	I309-E371 HydrophobicContact CG2-CB 4.13Å; I309-E371 WeakPolarHBondContact CG2-O 3.35Å; I309-E371 WeakPolarHBondContact O-CG 3.41Å; M311-E371 HydrophobicContact SD-CG 3.93Å; T351-E371 WeakPolarHBondContact CB-OE2 3.21Å; T351-E371 HydrophobicContact CG2-CB 3.6Å; S355-E371 VanDerWaalsContact CB-OE1 3.26Å; S355-E371 WeakPolarHBondContact CB-OE1 3.32Å; S355-E371 PolarHBondContact OG-OE1 3.48Å; R367-E371 WeakPolarHBondContact O-CG 3.47Å; R367-E371 PolarHBondContact O-N 2.84Å; E371-M373 VanDerWaalsContact C-N 3.32Å; E371-M373 PolarHBondContact O-N 2.75Å; E371-A374 WeakPolarHBondContact O-CB 3.43Å; E371-A374 PolarHBondContact O-N 2.88Å; E371-A374 VanDerWaalsContact O-N 3.16Å; E371-A375 PolarHBondContact O-N 2.96Å
372	A	98.9	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-44.1	174	0	0	0	0	0	111.7	T368 A369 A374 A375 V376 L383 T385 T406 I410	T368-A372 WeakPolarHBondContact O-CB 3.19Å; T368-A372 PolarHBondContact O-N 3.32Å; A369-A372 PolarHBondContact O-N 3.02Å; A372-A374 PolarHBondContact O-N 3.27Å; A372-A375 WeakPolarHBondContact O-CB 3.45Å; A372-A375 PolarHBondContact O-N 3.11Å; A372-V376 VanDerWaalsContact O-CG2 3.26Å; A372-V376 WeakPolarHBondContact O-CG2 3.29Å; A372-V376 PolarHBondContact O-N 3.03Å; A372-L383 HydrophobicContact CB-CD2 3.93Å; A372-T385 HydrophobicContact CB-CG2 3.75Å; A372-T406 HydrophobicContact CB-CG2 4.2Å; A372-I410 HydrophobicContact CB-CD1 3.74Å
373	M	98.9	Very high	98.4	Very high	65 Å²	65	21.2 Å²	21.2	32%	0.32	12%	0.116	S	C	.	.	H	α-helix	trans	-62.4	-41.4	176.1	-72.5	172.3	62.8	0	0	111.9	F313 A369 I370 E371 A375 V376 F377 I410 I416	F313-M373 HydrophobicContact CE2-CB 3.89Å; A369-M373 VanDerWaalsContact O-CG 3.29Å; A369-M373 WeakPolarHBondContact O-CG 3.41Å; A369-M373 PolarHBondContact O-N 3.23Å; I370-M373 PolarHBondContact O-N 2.78Å; E371-M373 VanDerWaalsContact C-N 3.32Å; E371-M373 PolarHBondContact O-N 2.75Å; M373-A375 PolarHBondContact O-N 3.15Å; M373-V376 PolarHBondContact O-N 2.81Å; M373-F377 HydrophobicContact CB-CD2 4.34Å; M373-F377 HydrophobicContact CB-CE2 4.24Å; M373-F377 HydrophobicContact CE-CE2 4Å; M373-F377 WeakPolarHBondContact O-CB 3.23Å; M373-F377 WeakPolarHBondContact O-CD2 3.44Å; M373-F377 WeakPolarHBondContact O-CG 3.19Å; M373-F377 PolarHBondContact O-N 3.45Å; M373-I410 HydrophobicContact CG-CD1 4.04Å; M373-I410 HydrophobicContact CG-CG1 4.45Å; M373-I416 HydrophobicContact CE-CD1 4.19Å
374	A	98.9	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-44.5	175.5	0	0	0	0	0	111.6	I309 F313 E316 I317 I370 E371 A372 V376 F377 G378	I309-A374 HydrophobicContact CG2-CB 3.81Å; F313-A374 HydrophobicContact CD2-CB 3.7Å; F313-A374 HydrophobicContact CE2-CB 4.08Å; F313-A374 HydrophobicContact CG-CB 4.37Å; E316-A374 HydrophobicContact CB-CB 4.13Å; I317-A374 HydrophobicContact CG1-CB 4.27Å; I370-A374 PolarHBondContact O-N 3.17Å; E371-A374 WeakPolarHBondContact O-CB 3.43Å; E371-A374 PolarHBondContact O-N 2.88Å; E371-A374 VanDerWaalsContact O-N 3.16Å; A372-A374 PolarHBondContact O-N 3.27Å; A374-V376 VanDerWaalsContact C-N 3.33Å; A374-V376 PolarHBondContact O-N 3.36Å; A374-F377 PolarHBondContact O-N 3.22Å; A374-G378 PolarHBondContact O-N 3.48Å
375	A	98.9	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-41.3	176.1	0	0	0	0	0	112.5	I309 C349 E371 A372 M373 G379 T380 L383	I309-A375 HydrophobicContact CD1-CB 4.39Å; I309-A375 HydrophobicContact CG1-CB 3.94Å; I309-A375 HydrophobicContact CG2-CB 4.46Å; C349-A375 HydrophobicContact CB-CB 3.89Å; E371-A375 PolarHBondContact O-N 2.96Å; A372-A375 WeakPolarHBondContact O-CB 3.45Å; A372-A375 PolarHBondContact O-N 3.11Å; M373-A375 PolarHBondContact O-N 3.15Å; A375-G379 PolarHBondContact O-N 3.05Å; A375-T380 HydrophobicContact CB-CG2 4.28Å; A375-T380 WeakPolarHBondContact O-CB 3.33Å; A375-T380 WeakPolarHBondContact O-CG2 3.3Å; A375-T380 PolarHBondContact O-N 3.44Å; A375-L383 HydrophobicContact CB-CD1 3.74Å; A375-L383 HydrophobicContact CB-CD2 4.36Å
376	V	98.9	Very high	98.2	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-66.1	-52.4	178	172.4	0	0	0	0	110.2	Y98 W103 A372 M373 A374 G378 G379 L383 I410 I416	Y98-V376 HydrophobicContact CD2-CG1 4.34Å; Y98-V376 HydrophobicContact CE2-CG1 3.85Å; Y98-V376 VanDerWaalsContact CE2-O 3.3Å; Y98-V376 WeakPolarHBondContact CE2-O 3.26Å; Y98-V376 PolarHBondContact OH-O 3.32Å; W103-V376 HydrophobicContact CD2-CG2 4.02Å; W103-V376 HydrophobicContact CE3-CG1 4.1Å; W103-V376 HydrophobicContact CE3-CG2 3.8Å; W103-V376 HydrophobicContact CH2-CB 4.44Å; W103-V376 HydrophobicContact CH2-CG1 4.1Å; W103-V376 HydrophobicContact CH2-CG2 3.41Å; W103-V376 VanDerWaalsContact CH2-CG2 3.41Å; W103-V376 HydrophobicContact CZ2-CG2 3.6Å; W103-V376 HydrophobicContact CZ3-CB 4.21Å; W103-V376 HydrophobicContact CZ3-CG1 3.56Å; W103-V376 HydrophobicContact CZ3-CG2 3.5Å; A372-V376 VanDerWaalsContact O-CG2 3.26Å; A372-V376 WeakPolarHBondContact O-CG2 3.29Å; A372-V376 PolarHBondContact O-N 3.03Å; M373-V376 PolarHBondContact O-N 2.81Å; A374-V376 VanDerWaalsContact C-N 3.33Å; A374-V376 PolarHBondContact O-N 3.36Å; V376-G378 VanDerWaalsContact C-N 3.25Å; V376-G378 PolarHBondContact O-N 2.95Å; V376-G379 PolarHBondContact O-N 2.87Å; V376-L383 HydrophobicContact CG2-CD2 4.37Å; V376-I410 HydrophobicContact CG1-CG2 4.4Å; V376-I410 HydrophobicContact CG2-CG2 4.27Å; V376-I416 HydrophobicContact CG1-CG2 3.67Å
377	F	98.9	Very high	98	Very high	29 Å²	29	13.4 Å²	13.4	13%	0.127	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-33.7	177.6	-74.4	-52	0	0	0	112.9	F313 I317 M373 A374 G379 I416 P422 W423	F313-F377 HydrophobicContact CE1-CD2 4.46Å; F313-F377 AromaticContact CE2-CD2 3.99Å; F313-F377 HydrophobicContact CE2-CD2 3.99Å; F313-F377 HydrophobicContact CE2-CE2 4.31Å; F313-F377 AromaticContact CZ-CD2 3.46Å; F313-F377 HydrophobicContact CZ-CD2 3.46Å; F313-F377 VanDerWaalsContact CZ-CD2 3.46Å; F313-F377 AromaticContact CZ-CE2 3.71Å; F313-F377 HydrophobicContact CZ-CE2 3.71Å; I317-F377 HydrophobicContact CD1-CB 3.71Å; I317-F377 HydrophobicContact CD1-CD2 4.27Å; I317-F377 HydrophobicContact CD1-CG 4.35Å; I317-F377 HydrophobicContact CG1-CB 3.88Å; I317-F377 HydrophobicContact CG2-CB 4.48Å; M373-F377 HydrophobicContact CB-CD2 4.34Å; M373-F377 HydrophobicContact CB-CE2 4.24Å; M373-F377 HydrophobicContact CE-CE2 4Å; M373-F377 WeakPolarHBondContact O-CB 3.23Å; M373-F377 WeakPolarHBondContact O-CD2 3.44Å; M373-F377 WeakPolarHBondContact O-CG 3.19Å; M373-F377 PolarHBondContact O-N 3.45Å; A374-F377 PolarHBondContact O-N 3.22Å; F377-G379 PolarHBondContact O-N 3Å; F377-I416 HydrophobicContact CD1-CG2 4.12Å; F377-I416 HydrophobicContact CE1-CD1 4.41Å; F377-I416 HydrophobicContact CE1-CG1 4.21Å; F377-I416 HydrophobicContact CE1-CG2 3.62Å; F377-I416 HydrophobicContact CE2-CD1 4.25Å; F377-I416 HydrophobicContact CZ-CD1 3.74Å; F377-I416 HydrophobicContact CZ-CG1 3.94Å; F377-I416 HydrophobicContact CZ-CG2 4.05Å; F377-P422 HydrophobicContact CD1-CG 3.52Å; F377-P422 HydrophobicContact CE1-CG 3.67Å; F377-W423 AromaticContact CD1-CD1 3.69Å; F377-W423 AromaticContact CD1-NE1 3.51Å; F377-W423 AromaticContact CD2-NE1 3.69Å; F377-W423 AromaticContact CE1-NE1 3.95Å; F377-W423 AromaticContact CG-CD1 3.73Å; F377-W423 AromaticContact CG-NE1 3.37Å
378	G	98.8	Very high	97.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.6	172.8	0	0	0	0	0	114	R324 A374 V376	R324-G378 PolarHBondContact NH1-O 2.9Å; R324-G378 PolarHBondContact NH2-O 3.1Å; A374-G378 PolarHBondContact O-N 3.48Å; V376-G378 VanDerWaalsContact C-N 3.25Å; V376-G378 PolarHBondContact O-N 2.95Å
379	G	98.8	Very high	97.4	Very high	6 Å²	6	12.6 Å²	12.6	6%	0.062	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	37.3	174.5	0	0	0	0	0	115	Y98 A375 V376 F377 Q381	Y98-G379 WeakPolarHBondContact OH-CA 3.45Å; A375-G379 PolarHBondContact O-N 3.05Å; V376-G379 PolarHBondContact O-N 2.87Å; F377-G379 PolarHBondContact O-N 3Å; G379-Q381 PolarHBondContact O-NE2 3.41Å
380	T	98.8	Very high	96.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.			trans	-60	153.1	174.8	-165.4	0	0	0	0	114.8	Y98 W103 A347 C349 A375 S382 L383	Y98-T380 VanDerWaalsContact CE1-O 3.23Å; Y98-T380 WeakPolarHBondContact CE1-O 3.33Å; Y98-T380 PolarHBondContact OH-N 3.13Å; Y98-T380 PolarHBondContact OH-O 3.04Å; W103-T380 HydrophobicContact CB-CG2 4.26Å; W103-T380 HydrophobicContact CG-CG2 4.35Å; A347-T380 PolarHBondContact O-OG1 3.33Å; C349-T380 PolarHBondContact N-OG1 3.5Å; C349-T380 PolarHBondContact SG-OG1 3.18Å; A375-T380 HydrophobicContact CB-CG2 4.28Å; A375-T380 WeakPolarHBondContact O-CB 3.33Å; A375-T380 WeakPolarHBondContact O-CG2 3.3Å; A375-T380 PolarHBondContact O-N 3.44Å; T380-S382 PolarHBondContact OG1-O 3.1Å; T380-L383 HydrophobicContact CG2-CB 4.26Å
381	Q	97.2	Very high	96.3	Very high	34 Å²	34	11.9 Å²	11.9	16%	0.159	6%	0.062	C	C	.	.	S	Bend	trans	-94.8	-24.6	175.9	-78.3	61.1	71.5	0	0	112.4	Y94 T104 R346 A347 G379	Y94-Q381 HydrophobicContact CE2-CG 3.89Å; T104-Q381 PolarHBondContact N-O 2.96Å; R346-Q381 HydrophobicContact CB-CG 4.47Å; A347-Q381 WeakPolarHBondContact O-CA 3.43Å; A347-Q381 WeakPolarHBondContact O-CB 3.47Å; A347-Q381 PolarHBondContact O-N 3.27Å; G379-Q381 PolarHBondContact O-NE2 3.41Å
382	S	95.5	Very high	95.7	Very high	12 Å²	12	12.6 Å²	12.6	8%	0.084	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	149.9	173.5	59.2	0	0	0	0	110.6	T104 A347 H348 C349 T380	T104-S382 WeakPolarHBondContact O-CA 3.44Å; T104-S382 WeakPolarHBondContact O-CB 3.33Å; A347-S382 PolarHBondContact O-N 3.29Å; H348-S382 CarbonylContact C-O 3.52Å; H348-S382 WeakPolarHBondContact CA-O 3.4Å; H348-S382 PolarHBondContact ND1-O 3.38Å; H348-S382 PolarHBondContact ND1-OG 3.04Å; C349-S382 PolarHBondContact N-O 2.81Å; T380-S382 PolarHBondContact OG1-O 3.1Å
383	L	96.6	Very high	94.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.6	-172.6	176.6	63	0	0	0	111.2	T104 R106 C349 A372 A375 V376 T380 T385 Q407	T104-L383 PolarHBondContact O-N 3.11Å; T104-L383 VanDerWaalsContact O-N 3.07Å; R106-L383 CarbonylContact C-O 3.49Å; R106-L383 PolarHBondContact N-O 3.31Å; C349-L383 HydrophobicContact CB-CD1 3.92Å; C349-L383 CarbonylContact O-C 3.48Å; C349-L383 WeakPolarHBondContact O-CA 3.47Å; C349-L383 WeakPolarHBondContact O-CD1 3.5Å; A372-L383 HydrophobicContact CB-CD2 3.93Å; A375-L383 HydrophobicContact CB-CD1 3.74Å; A375-L383 HydrophobicContact CB-CD2 4.36Å; V376-L383 HydrophobicContact CG2-CD2 4.37Å; T380-L383 HydrophobicContact CG2-CB 4.26Å; L383-T385 HydrophobicContact CD2-CG2 4.11Å; L383-T385 HydrophobicContact CG-CG2 4.2Å; L383-Q407 HydrophobicContact CD2-CG 3.99Å; L383-Q407 HydrophobicContact CG-CG 4.42Å; L383-Q407 PolarHBondContact O-NE2 3.22Å; L383-Q407 PolarHBondContact O-OE1 3.33Å
384	H	96.3	Very high	94.1	Very high	13 Å²	13	13 Å²	13	6%	0.06	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.1	163.2	178.7	-157.6	0	0	0	108.5	R106 Y108 H348 C349 Q350 T351	R106-H384 WeakPolarHBondContact O-CA 3.32Å; R106-H384 WeakPolarHBondContact O-CB 3.46Å; Y108-H384 WeakPolarHBondContact CB-CE1 3.29Å; Y108-H384 VanDerWaalsContact CB-ND1 3.27Å; Y108-H384 WeakPolarHBondContact CB-ND1 3.31Å; H348-H384 PolarHBondContact CE1-N 3.21Å; C349-H384 PolarHBondContact O-N 2.82Å; Q350-H384 WeakPolarHBondContact CA-O 3.03Å; Q350-H384 HydrophobicContact CB-CB 4.04Å; Q350-H384 HydrophobicContact CG-CB 3.95Å; Q350-H384 WeakPolarHBondContact CG-ND1 3.12Å; Q350-H384 PolarHBondContact NE2-CE1 3.3Å; Q350-H384 VanDerWaalsContact NE2-CE1 3.28Å; Q350-H384 PolarHBondContact NE2-ND1 3.5Å; Q350-H384 VanDerWaalsContact NE2-ND1 3.12Å; Q350-H384 PolarHBondContact OE1-ND1 2.82Å; T351-H384 PolarHBondContact N-O 2.92Å; T351-H384 VanDerWaalsContact N-O 3.11Å
385	T	97.4	Very high	93.5	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-103.5	126.3	169.7	41.2	0	0	0	0	108.9	Q107 T351 T368 A372 L383 A403 Q407	Q107-T385 PolarHBondContact NE2-O 2.93Å; Q107-T385 PolarHBondContact OE1-OG1 2.71Å; Q107-T385 VanDerWaalsContact OE1-OG1 3.13Å; T351-T385 HydrophobicContact CG2-CG2 4.15Å; T368-T385 HydrophobicContact CG2-CG2 3.98Å; A372-T385 HydrophobicContact CB-CG2 3.75Å; L383-T385 HydrophobicContact CD2-CG2 4.11Å; L383-T385 HydrophobicContact CG-CG2 4.2Å; T385-A403 WeakPolarHBondContact O-CB 3.42Å; T385-A403 PolarHBondContact OG1-O 2.97Å; T385-Q407 HydrophobicContact CG2-CG 3.54Å; T385-Q407 PolarHBondContact OG1-NE2 3Å
386	N	95.7	Very high	92.8	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.011	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-65.8	159.5	178.7	-71.6	-5.5	0	0	0	111.8	Q350 T351 S352 G353 L356 E390 A403	Q350-N386 PolarHBondContact NE2-OD1 3.14Å; T351-N386 PolarHBondContact O-ND2 3.28Å; T351-N386 WeakPolarHBondContact OG1-CB 3.43Å; T351-N386 PolarHBondContact OG1-N 3.25Å; T351-N386 PolarHBondContact OG1-ND2 3.42Å; T351-N386 PolarHBondContact OG1-OD1 2.63Å; S352-N386 PolarHBondContact O-ND2 2.77Å; S352-N386 VanDerWaalsContact O-ND2 3.14Å; G353-N386 VanDerWaalsContact CA-ND2 3.3Å; G353-N386 WeakPolarHBondContact CA-ND2 3.47Å; G353-N386 PolarHBondContact N-ND2 3.18Å; G353-N386 VanDerWaalsContact N-ND2 3.18Å; L356-N386 HydrophobicContact CD1-CB 3.56Å; N386-E390 WeakPolarHBondContact CA-OE2 3.48Å; N386-E390 WeakPolarHBondContact CB-OE2 3.26Å; N386-E390 PolarHBondContact OD1-OE2 3.31Å; N386-A403 WeakPolarHBondContact O-CB 3.24Å
387	S	94.5	Very high	92	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.028	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-89	150	174.2	-72.8	0	0	0	0	110.8	L356 D389 E390 P395 S399 A400	L356-S387 WeakPolarHBondContact CD1-O 3.35Å; S387-D389 WeakPolarHBondContact CB-OD1 3.31Å; S387-D389 PolarHBondContact O-N 3.23Å; S387-D389 VanDerWaalsContact O-N 3.08Å; S387-E390 WeakPolarHBondContact O-CB 3.45Å; S387-E390 PolarHBondContact O-N 2.76Å; S387-E390 VanDerWaalsContact O-N 3.16Å; S387-P395 WeakPolarHBondContact OG-CB 3.37Å; S387-S399 WeakPolarHBondContact CB-OG 3.42Å; S387-S399 PolarHBondContact OG-OG 3.17Å; S387-A400 PolarHBondContact OG-N 3.16Å
388	F	95	Very high	91.6	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.035	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.7	-175.4	77.6	-95	0	0	0	113.9	P361 Y362 N364 I365 I402 V498	P361-F388 HydrophobicContact CB-CD2 4.29Å; Y362-F388 HydrophobicContact CE1-CE2 4.3Å; Y362-F388 HydrophobicContact CE1-CZ 4.31Å; N364-F388 HydrophobicContact CB-CB 3.94Å; N364-F388 PolarHBondContact ND2-O 2.8Å; I365-F388 HydrophobicContact CD1-CD1 4.48Å; I365-F388 HydrophobicContact CG1-CB 3.74Å; I365-F388 HydrophobicContact CG1-CD1 4.39Å; I365-F388 HydrophobicContact CG1-CG 4.21Å; F388-I402 HydrophobicContact CD1-CD1 4.17Å; F388-I402 HydrophobicContact CE1-CD1 3.99Å; F388-V498 HydrophobicContact CE2-CG1 4.23Å
389	D	90.9	Very high	91.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.3	-179.7	51.9	2	0	0	0	113.9	S387 A391 L392 G393 T396 S399	S387-D389 WeakPolarHBondContact CB-OD1 3.31Å; S387-D389 PolarHBondContact O-N 3.23Å; S387-D389 VanDerWaalsContact O-N 3.08Å; D389-A391 VanDerWaalsContact C-N 3.3Å; D389-A391 PolarHBondContact O-N 2.9Å; D389-L392 WeakPolarHBondContact O-CB 3.17Å; D389-L392 PolarHBondContact O-N 3.48Å; D389-G393 PolarHBondContact O-N 3.24Å; D389-G393 VanDerWaalsContact O-N 3.15Å; D389-T396 PolarHBondContact OD2-N 2.93Å; D389-T396 PolarHBondContact OD2-OG1 2.7Å; D389-S399 VanDerWaalsContact CG-CB 3.42Å; D389-S399 WeakPolarHBondContact OD1-CB 3.49Å; D389-S399 PolarHBondContact OD1-OG 2.96Å; D389-S399 WeakPolarHBondContact OD2-CB 3.34Å; D389-S399 PolarHBondContact OD2-OG 3.44Å
390	E	87.9	Confident	90.8	Very high	56 Å²	56	24.7 Å²	24.7	26%	0.262	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.2	-173.1	-174.8	166	149.3	0	0	114.7	L356 N386 S387 L392	L356-E390 HydrophobicContact CD1-CB 3.91Å; N386-E390 WeakPolarHBondContact CA-OE2 3.48Å; N386-E390 WeakPolarHBondContact CB-OE2 3.26Å; N386-E390 PolarHBondContact OD1-OE2 3.31Å; S387-E390 WeakPolarHBondContact O-CB 3.45Å; S387-E390 PolarHBondContact O-N 2.76Å; S387-E390 VanDerWaalsContact O-N 3.16Å; E390-L392 PolarHBondContact O-N 2.78Å
391	A	87.2	Confident	90.4	Very high	15 Å²	15	30.8 Å²	30.8	12%	0.124	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.8	174.4	0	0	0	0	0	113.2	E358 D389 V702	E358-A391 HydrophobicContact CB-CB 4.37Å; D389-A391 VanDerWaalsContact C-N 3.3Å; D389-A391 PolarHBondContact O-N 2.9Å; A391-V702 WeakPolarHBondContact O-CG1 3.32Å
392	L	84.8	Confident	90.4	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.079	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-34.7	-176.8	-68.1	169.1	0	0	0	112.6	E358 D389 E390 V498 V500	E358-L392 HydrophobicContact CB-CD2 4.1Å; E358-L392 HydrophobicContact CG-CD2 3.61Å; D389-L392 WeakPolarHBondContact O-CB 3.17Å; D389-L392 PolarHBondContact O-N 3.48Å; E390-L392 PolarHBondContact O-N 2.78Å; L392-V498 HydrophobicContact CD1-CB 4.01Å; L392-V498 HydrophobicContact CD1-CG1 4.31Å; L392-V500 HydrophobicContact CB-CG1 4.46Å; L392-V500 HydrophobicContact CB-CG2 3.72Å; L392-V500 HydrophobicContact CD1-CG2 4.28Å; L392-V500 HydrophobicContact CG-CG2 4.48Å; L392-V500 WeakPolarHBondContact O-CG1 3.42Å
393	G	83.3	Confident	90.4	Very high	24 Å²	24	30.8 Å²	30.8	25%	0.247	16%	0.164	C	C	.	.	S	Bend	trans	173.4	-157.7	-179.2	0	0	0	0	0	112.8	D389	D389-G393 PolarHBondContact O-N 3.24Å; D389-G393 VanDerWaalsContact O-N 3.15Å
394	L	82.7	Confident	90.2	Very high	49 Å²	49	31.7 Å²	31.7	26%	0.257	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-75.4	151.2	-180	-65.7	-174.9	0	0	0	112.3	T396 L501 I503	L394-T396 PolarHBondContact O-N 3.08Å; L394-L501 HydrophobicContact CB-CD2 4.14Å; L394-I503 HydrophobicContact CD1-CD1 3.52Å; L394-I503 HydrophobicContact CG-CD1 4.4Å
395	P	84.7	Confident	90.2	Very high	42 Å²	42	34.2 Å²	34.2	27%	0.273	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-55.6	133.2	-179.9	-28.4	35.5	0	0	0	114.7	S387 S399 A400	S387-P395 WeakPolarHBondContact OG-CB 3.37Å; P395-S399 WeakPolarHBondContact CA-OG 3.45Å; P395-A400 HydrophobicContact CB-CB 4.17Å
396	T	85	Confident	90.3	Very high	28 Å²	28	35 Å²	35	17%	0.172	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-76	168	163	62.8	0	0	0	0	111.9	D389 L394 K398 S399 A400	D389-T396 PolarHBondContact OD2-N 2.93Å; D389-T396 PolarHBondContact OD2-OG1 2.7Å; L394-T396 PolarHBondContact O-N 3.08Å; T396-K398 PolarHBondContact O-N 3.3Å; T396-S399 PolarHBondContact N-OG 3.27Å; T396-S399 PolarHBondContact O-N 3.28Å; T396-S399 PolarHBondContact O-OG 3.32Å; T396-S399 PolarHBondContact OG1-N 2.62Å; T396-S399 PolarHBondContact OG1-OG 2.93Å; T396-A400 VanDerWaalsContact O-CB 3.27Å; T396-A400 WeakPolarHBondContact O-CB 3.31Å; T396-A400 PolarHBondContact O-N 3.08Å
397	V	83.2	Confident	90.4	Very high	110 Å²	110	34.9 Å²	34.9	67%	0.667	19%	0.185	S	C	*	.	H	α-helix	trans	-57.6	-39	173.4	176.7	0	0	0	0	111.5	R401	V397-R401 WeakPolarHBondContact O-CB 3.44Å; V397-R401 PolarHBondContact O-N 3.26Å
398	K	89.2	Confident	90.5	Very high	93 Å²	93	36.5 Å²	36.5	40%	0.404	19%	0.194	S	C	.	.	H	α-helix	trans	-66.8	-50.1	179.1	-179.8	-173	174	-169.5	0	110.7	Y362 T396 R401 I402	Y362-K398 PolarHBondContact OH-NZ 3.34Å; T396-K398 PolarHBondContact O-N 3.3Å; K398-R401 PolarHBondContact O-N 3.33Å; K398-I402 HydrophobicContact CG-CD1 4.17Å; K398-I402 WeakPolarHBondContact O-CG1 3.3Å; K398-I402 PolarHBondContact O-N 3.13Å; K398-I402 VanDerWaalsContact O-N 3.09Å
399	S	91.9	Very high	90.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-41.8	-176.2	72.4	0	0	0	0	111.9	S387 D389 P395 T396 R401 I402 A403	S387-S399 WeakPolarHBondContact CB-OG 3.42Å; S387-S399 PolarHBondContact OG-OG 3.17Å; D389-S399 VanDerWaalsContact CG-CB 3.42Å; D389-S399 WeakPolarHBondContact OD1-CB 3.49Å; D389-S399 PolarHBondContact OD1-OG 2.96Å; D389-S399 WeakPolarHBondContact OD2-CB 3.34Å; D389-S399 PolarHBondContact OD2-OG 3.44Å; P395-S399 WeakPolarHBondContact CA-OG 3.45Å; T396-S399 PolarHBondContact N-OG 3.27Å; T396-S399 PolarHBondContact O-N 3.28Å; T396-S399 PolarHBondContact O-OG 3.32Å; T396-S399 PolarHBondContact OG1-N 2.62Å; T396-S399 PolarHBondContact OG1-OG 2.93Å; S399-R401 VanDerWaalsContact C-N 3.29Å; S399-R401 PolarHBondContact O-N 3.04Å; S399-I402 PolarHBondContact O-N 2.89Å; S399-I402 VanDerWaalsContact O-N 3.1Å; S399-A403 PolarHBondContact O-N 3.03Å
400	A	89.5	Confident	91.1	Very high	10 Å²	10	40.3 Å²	40.3	8%	0.083	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-36.4	175	0	0	0	0	0	112.7	F120 S387 P395 T396 R404	F120-A400 HydrophobicContact CZ-CB 4.46Å; S387-A400 PolarHBondContact OG-N 3.16Å; P395-A400 HydrophobicContact CB-CB 4.17Å; T396-A400 VanDerWaalsContact O-CB 3.27Å; T396-A400 WeakPolarHBondContact O-CB 3.31Å; T396-A400 PolarHBondContact O-N 3.08Å; A400-R404 PolarHBondContact O-N 3.09Å; A400-R404 VanDerWaalsContact O-N 3.08Å
401	R	90.7	Very high	91.6	Very high	128 Å²	128	39.2 Å²	39.2	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-66.4	-44.5	173.7	-178.5	-180	65.8	-136.4	-0.3	111.7	V397 K398 S399 R404 N405	V397-R401 WeakPolarHBondContact O-CB 3.44Å; V397-R401 PolarHBondContact O-N 3.26Å; K398-R401 PolarHBondContact O-N 3.33Å; S399-R401 VanDerWaalsContact C-N 3.29Å; S399-R401 PolarHBondContact O-N 3.04Å; R401-R404 PolarHBondContact O-N 2.89Å; R401-N405 WeakPolarHBondContact O-CB 2.98Å; R401-N405 VanDerWaalsContact O-CG 3.32Å; R401-N405 PolarHBondContact O-N 3.22Å; R401-N405 PolarHBondContact O-OD1 3.05Å
402	I	95.9	Very high	92.1	Very high	44 Å²	44	45.7 Å²	45.7	23%	0.226	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-48.8	177.6	-69.7	167.3	0	0	0	109.8	I365 F388 K398 S399 R404 N405 T406	I365-I402 HydrophobicContact CD1-CD1 4.31Å; I365-I402 HydrophobicContact CD1-CG2 4.08Å; I365-I402 HydrophobicContact CG1-CG2 4.07Å; I365-I402 HydrophobicContact CG2-CG2 4.09Å; F388-I402 HydrophobicContact CD1-CD1 4.17Å; F388-I402 HydrophobicContact CE1-CD1 3.99Å; K398-I402 HydrophobicContact CG-CD1 4.17Å; K398-I402 WeakPolarHBondContact O-CG1 3.3Å; K398-I402 PolarHBondContact O-N 3.13Å; K398-I402 VanDerWaalsContact O-N 3.09Å; S399-I402 PolarHBondContact O-N 2.89Å; S399-I402 VanDerWaalsContact O-N 3.1Å; I402-R404 PolarHBondContact O-N 2.98Å; I402-N405 PolarHBondContact O-N 2.89Å; I402-N405 VanDerWaalsContact O-N 3.13Å; I402-T406 PolarHBondContact O-N 3.17Å; I402-T406 PolarHBondContact O-OG1 3.41Å; I402-T406 VanDerWaalsContact O-OG1 3.14Å
403	A	95.3	Very high	92.8	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-51.3	177.1	0	0	0	0	0	111.9	T385 N386 S399 N405 T406	T385-A403 WeakPolarHBondContact O-CB 3.42Å; T385-A403 PolarHBondContact OG1-O 2.97Å; N386-A403 WeakPolarHBondContact O-CB 3.24Å; S399-A403 PolarHBondContact O-N 3.03Å; A403-N405 PolarHBondContact O-N 3.31Å; A403-T406 WeakPolarHBondContact O-CB 3.47Å; A403-T406 PolarHBondContact O-N 3.49Å
404	R	94.2	Very high	93.5	Very high	20 Å²	20	53.6 Å²	53.6	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-46.4	175.7	-173.3	-172.2	-57.3	107.2	5	112.3	I105 Q107 N124 A400 R401 I402 T406 Q407 I408	I105-R404 HydrophobicContact CG2-CG 4.27Å; Q107-R404 HydrophobicContact CG-CB 4.47Å; N124-R404 PolarHBondContact ND2-NH2 3.46Å; N124-R404 PolarHBondContact OD1-NH2 2.82Å; A400-R404 PolarHBondContact O-N 3.09Å; A400-R404 VanDerWaalsContact O-N 3.08Å; R401-R404 PolarHBondContact O-N 2.89Å; I402-R404 PolarHBondContact O-N 2.98Å; R404-T406 VanDerWaalsContact C-N 3.27Å; R404-T406 PolarHBondContact O-N 3.15Å; R404-Q407 PolarHBondContact O-N 2.99Å; R404-Q407 VanDerWaalsContact O-N 3.1Å; R404-I408 HydrophobicContact CG-CD1 3.96Å; R404-I408 HydrophobicContact CG-CG1 4.5Å; R404-I408 PolarHBondContact O-N 2.91Å
405	N	96.4	Very high	94.3	Very high	65 Å²	65	53.2 Å²	53.2	35%	0.348	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-28.9	-176.8	-77.3	8.2	0	0	0	112.4	R401 I402 A403 Q407 I408 I409	R401-N405 WeakPolarHBondContact O-CB 2.98Å; R401-N405 VanDerWaalsContact O-CG 3.32Å; R401-N405 PolarHBondContact O-N 3.22Å; R401-N405 PolarHBondContact O-OD1 3.05Å; I402-N405 PolarHBondContact O-N 2.89Å; I402-N405 VanDerWaalsContact O-N 3.13Å; A403-N405 PolarHBondContact O-N 3.31Å; N405-Q407 PolarHBondContact O-N 3.49Å; N405-I408 PolarHBondContact O-N 3.28Å; N405-I409 WeakPolarHBondContact O-CB 3.33Å; N405-I409 VanDerWaalsContact O-CG1 3.27Å; N405-I409 WeakPolarHBondContact O-CG1 3.42Å; N405-I409 PolarHBondContact O-N 3.38Å
406	T	98.6	Very high	94.9	Very high	16 Å²	16	52.8 Å²	52.8	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-52.4	-46	170.3	-61.2	0	0	0	0	110.9	A369 A372 I402 A403 R404 I410	A369-T406 HydrophobicContact CB-CG2 3.98Å; A372-T406 HydrophobicContact CB-CG2 4.2Å; I402-T406 PolarHBondContact O-N 3.17Å; I402-T406 PolarHBondContact O-OG1 3.41Å; I402-T406 VanDerWaalsContact O-OG1 3.14Å; A403-T406 WeakPolarHBondContact O-CB 3.47Å; A403-T406 PolarHBondContact O-N 3.49Å; R404-T406 VanDerWaalsContact C-N 3.27Å; R404-T406 PolarHBondContact O-N 3.15Å; T406-I410 HydrophobicContact CG2-CD1 4.3Å; T406-I410 WeakPolarHBondContact O-CD1 3.45Å; T406-I410 VanDerWaalsContact O-CG1 3.24Å; T406-I410 WeakPolarHBondContact O-CG1 3.37Å; T406-I410 PolarHBondContact O-N 3Å
407	Q	98.1	Very high	95.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70	-42.3	177.4	-60.6	-170.6	50.4	0	0	112.6	W103 I105 L383 T385 R404 N405 I409 I410 Q411	W103-Q407 HydrophobicContact CZ2-CB 4.23Å; I105-Q407 HydrophobicContact CD1-CB 3.98Å; I105-Q407 HydrophobicContact CG1-CB 4.04Å; L383-Q407 HydrophobicContact CD2-CG 3.99Å; L383-Q407 HydrophobicContact CG-CG 4.42Å; L383-Q407 PolarHBondContact O-NE2 3.22Å; L383-Q407 PolarHBondContact O-OE1 3.33Å; T385-Q407 HydrophobicContact CG2-CG 3.54Å; T385-Q407 PolarHBondContact OG1-NE2 3Å; R404-Q407 PolarHBondContact O-N 2.99Å; R404-Q407 VanDerWaalsContact O-N 3.1Å; N405-Q407 PolarHBondContact O-N 3.49Å; Q407-I409 PolarHBondContact O-N 3Å; Q407-I410 PolarHBondContact O-N 3.38Å; Q407-Q411 WeakPolarHBondContact O-CG 3.46Å; Q407-Q411 PolarHBondContact O-N 3.15Å
408	I	96.5	Very high	96.3	Very high	39 Å²	39	53.7 Å²	53.7	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-44.8	-179.8	-63.8	172.8	0	0	0	110.7	I105 R404 N405 I410 Q411 E412	I105-I408 HydrophobicContact CD1-CG1 3.65Å; R404-I408 HydrophobicContact CG-CD1 3.96Å; R404-I408 HydrophobicContact CG-CG1 4.5Å; R404-I408 PolarHBondContact O-N 2.91Å; N405-I408 PolarHBondContact O-N 3.28Å; I408-I410 VanDerWaalsContact C-N 3.32Å; I408-I410 PolarHBondContact O-N 3.34Å; I408-Q411 WeakPolarHBondContact O-CB 3.34Å; I408-Q411 PolarHBondContact O-N 3.08Å; I408-E412 HydrophobicContact CG2-CG 4.2Å; I408-E412 WeakPolarHBondContact O-CB 3.41Å; I408-E412 PolarHBondContact O-N 3.27Å
409	I	98.8	Very high	96.8	Very high	79 Å²	79	53.7 Å²	53.7	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-41.9	177.5	-68.1	166.3	0	0	0	110.5	N405 Q407 Q411 E413 S414	N405-I409 WeakPolarHBondContact O-CB 3.33Å; N405-I409 VanDerWaalsContact O-CG1 3.27Å; N405-I409 WeakPolarHBondContact O-CG1 3.42Å; N405-I409 PolarHBondContact O-N 3.38Å; Q407-I409 PolarHBondContact O-N 3Å; I409-Q411 VanDerWaalsContact C-N 3.31Å; I409-Q411 PolarHBondContact O-N 2.6Å; I409-E413 HydrophobicContact CG2-CB 4.25Å; I409-E413 WeakPolarHBondContact O-CB 3.39Å; I409-E413 PolarHBondContact O-N 2.97Å; I409-S414 PolarHBondContact O-N 2.98Å; I409-S414 VanDerWaalsContact O-N 3.17Å
410	I	98.8	Very high	97.1	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.062	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-40.2	174.3	-59.9	163.7	0	0	0	110.4	W103 A372 M373 V376 T406 Q407 I408 S414 I416 P417	W103-I410 HydrophobicContact CH2-CB 3.98Å; W103-I410 HydrophobicContact CH2-CG2 3.63Å; W103-I410 HydrophobicContact CZ2-CB 4.41Å; W103-I410 HydrophobicContact CZ2-CG2 4.42Å; W103-I410 HydrophobicContact CZ3-CG2 4.45Å; A372-I410 HydrophobicContact CB-CD1 3.74Å; M373-I410 HydrophobicContact CG-CD1 4.04Å; M373-I410 HydrophobicContact CG-CG1 4.45Å; V376-I410 HydrophobicContact CG1-CG2 4.4Å; V376-I410 HydrophobicContact CG2-CG2 4.27Å; T406-I410 HydrophobicContact CG2-CD1 4.3Å; T406-I410 WeakPolarHBondContact O-CD1 3.45Å; T406-I410 VanDerWaalsContact O-CG1 3.24Å; T406-I410 WeakPolarHBondContact O-CG1 3.37Å; T406-I410 PolarHBondContact O-N 3Å; Q407-I410 PolarHBondContact O-N 3.38Å; I408-I410 VanDerWaalsContact C-N 3.32Å; I408-I410 PolarHBondContact O-N 3.34Å; I410-S414 PolarHBondContact O-OG 3.41Å; I410-I416 HydrophobicContact CG2-CB 4.47Å; I410-I416 HydrophobicContact CG2-CD1 4.19Å; I410-P417 WeakPolarHBondContact O-CD 3.5Å
411	Q	98.4	Very high	97.5	Very high	32 Å²	32	54.8 Å²	54.8	15%	0.15	28%	0.283	C	S	.	.	H	α-helix	trans	-68	-44.7	179.7	-72.3	-176.7	-3.8	0	0	113.4	P102 W103 Q407 I408 I409	P102-Q411 HydrophobicContact CB-CG 3.97Å; P102-Q411 HydrophobicContact CG-CG 4.31Å; W103-Q411 HydrophobicContact CE3-CG 4.45Å; W103-Q411 HydrophobicContact CH2-CB 4.4Å; W103-Q411 HydrophobicContact CH2-CG 3.32Å; W103-Q411 HydrophobicContact CZ2-CG 3.48Å; W103-Q411 VanDerWaalsContact CZ2-CG 3.48Å; W103-Q411 HydrophobicContact CZ3-CG 3.87Å; W103-Q411 PolarHBondContact O-NE2 3.01Å; W103-Q411 VanDerWaalsContact O-NE2 3.1Å; Q407-Q411 WeakPolarHBondContact O-CG 3.46Å; Q407-Q411 PolarHBondContact O-N 3.15Å; I408-Q411 WeakPolarHBondContact O-CB 3.34Å; I408-Q411 PolarHBondContact O-N 3.08Å; I409-Q411 VanDerWaalsContact C-N 3.31Å; I409-Q411 PolarHBondContact O-N 2.6Å
412	E	98.2	Very high	97.9	Very high	152 Å²	152	51.7 Å²	51.7	71%	0.71	28%	0.28	S	S	*	.	H	α-helix	trans	-105.1	-28.6	-162.4	-60.6	-168.5	-162.2	0	0	113.6	I408	I408-E412 HydrophobicContact CG2-CG 4.2Å; I408-E412 WeakPolarHBondContact O-CB 3.41Å; I408-E412 PolarHBondContact O-N 3.27Å
413	E	98.7	Very high	98.1	Very high	150 Å²	150	52.5 Å²	52.5	70%	0.701	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-35.1	-173.9	-59.6	-179.1	-151	0	0	113.2	I409 G415	I409-E413 HydrophobicContact CG2-CB 4.25Å; I409-E413 WeakPolarHBondContact O-CB 3.39Å; I409-E413 PolarHBondContact O-N 2.97Å; E413-G415 PolarHBondContact O-N 3.09Å
414	S	98.8	Very high	98.2	Very high	54 Å²	54	53.4 Å²	53.4	38%	0.378	29%	0.289	S	S	.	.	S	Bend	trans	-74.3	-19.7	-167.6	80.4	0	0	0	0	115.8	I409 I410 I416	I409-S414 PolarHBondContact O-N 2.98Å; I409-S414 VanDerWaalsContact O-N 3.17Å; I410-S414 PolarHBondContact O-OG 3.41Å; S414-I416 PolarHBondContact O-N 3.4Å; S414-I416 VanDerWaalsContact O-N 3.13Å; S414-I416 VanDerWaalsContact OG-CB 3.31Å; S414-I416 WeakPolarHBondContact OG-CB 3.43Å; S414-I416 WeakPolarHBondContact OG-CG1 3.13Å; S414-I416 PolarHBondContact OG-N 2.86Å; S414-I416 VanDerWaalsContact OG-N 3.11Å
415	G	98.7	Very high	98.4	Very high	41 Å²	41	54.5 Å²	54.5	42%	0.423	31%	0.307	S	S	.	.			trans	71.4	-7.8	-171.3	0	0	0	0	0	115.5	E413 P417 K418	E413-G415 PolarHBondContact O-N 3.09Å; G415-P417 VanDerWaalsContact C-CD 3.42Å; G415-P417 VanDerWaalsContact C-N 3.35Å; G415-K418 WeakPolarHBondContact O-CB 3.36Å; G415-K418 VanDerWaalsContact O-CG 3.31Å; G415-K418 WeakPolarHBondContact O-CG 3.39Å; G415-K418 PolarHBondContact O-N 3.03Å; G415-K418 VanDerWaalsContact O-N 3.1Å
416	I	98.8	Very high	98.5	Very high	34 Å²	34	53.1 Å²	53.1	17%	0.174	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-52.3	-42.2	-179.8	-69.3	169.1	0	0	0	113.2	M373 V376 F377 I410 S414 K418	M373-I416 HydrophobicContact CE-CD1 4.19Å; V376-I416 HydrophobicContact CG1-CG2 3.67Å; F377-I416 HydrophobicContact CD1-CG2 4.12Å; F377-I416 HydrophobicContact CE1-CD1 4.41Å; F377-I416 HydrophobicContact CE1-CG1 4.21Å; F377-I416 HydrophobicContact CE1-CG2 3.62Å; F377-I416 HydrophobicContact CE2-CD1 4.25Å; F377-I416 HydrophobicContact CZ-CD1 3.74Å; F377-I416 HydrophobicContact CZ-CG1 3.94Å; F377-I416 HydrophobicContact CZ-CG2 4.05Å; I410-I416 HydrophobicContact CG2-CB 4.47Å; I410-I416 HydrophobicContact CG2-CD1 4.19Å; S414-I416 PolarHBondContact O-N 3.4Å; S414-I416 VanDerWaalsContact O-N 3.13Å; S414-I416 VanDerWaalsContact OG-CB 3.31Å; S414-I416 WeakPolarHBondContact OG-CB 3.43Å; S414-I416 WeakPolarHBondContact OG-CG1 3.13Å; S414-I416 PolarHBondContact OG-N 2.86Å; S414-I416 VanDerWaalsContact OG-N 3.11Å; I416-K418 PolarHBondContact O-N 3.34Å
417	P	98.8	Very high	98.5	Very high	6 Å²	6	57 Å²	57	4%	0.039	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.7	-9.3	-178.5	-24.2	35.5	0	0	0	115.7	Y98 T99 W103 I410 G415 V419	Y98-P417 CarbonylContact C-O 3.59Å; T99-P417 WeakPolarHBondContact CA-O 3.41Å; T99-P417 PolarHBondContact N-O 3.17Å; W103-P417 HydrophobicContact CZ3-CG 4.22Å; I410-P417 WeakPolarHBondContact O-CD 3.5Å; G415-P417 VanDerWaalsContact C-CD 3.42Å; G415-P417 VanDerWaalsContact C-N 3.35Å; P417-V419 VanDerWaalsContact C-N 3.33Å; P417-V419 PolarHBondContact O-N 3.39Å
418	K	98.8	Very high	98.5	Very high	151 Å²	151	58.4 Å²	58.4	66%	0.657	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-80.4	-9.7	-170.7	-56.6	-59.1	-178.7	-173.2	0	114.2	G415 I416	G415-K418 WeakPolarHBondContact O-CB 3.36Å; G415-K418 VanDerWaalsContact O-CG 3.31Å; G415-K418 WeakPolarHBondContact O-CG 3.39Å; G415-K418 PolarHBondContact O-N 3.03Å; G415-K418 VanDerWaalsContact O-N 3.1Å; I416-K418 PolarHBondContact O-N 3.34Å
419	V	98.9	Very high	98.6	Very high	92 Å²	92	56.5 Å²	56.5	56%	0.558	31%	0.313	S	S	*	.	S	Bend	trans	-130.2	130	176.7	-179.1	0	0	0	0	109.7	P417 P422	P417-V419 VanDerWaalsContact C-N 3.33Å; P417-V419 PolarHBondContact O-N 3.39Å; V419-P422 HydrophobicContact CB-CB 4.37Å; V419-P422 HydrophobicContact CG1-CB 4.22Å
420	A	98.8	Very high	98.6	Very high	23 Å²	23	53.1 Å²	53.1	19%	0.19	30%	0.296	C	S	.	.	S	Bend	trans	-77.2	131.4	176.3	0	0	0	0	0	111	P84 M97	P84-A420 HydrophobicContact CG-CB 4.23Å; M97-A420 HydrophobicContact CB-CB 3.99Å; M97-A420 HydrophobicContact CG-CB 4.12Å
421	D	98.6	Very high	98.6	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.059	29%	0.293	C	S	.	.	S	Bend	trans	41.3	65.2	-176.1	-173.1	42.6	0	0	0	112.9	R91 R321 W423 G424	R91-D421 HydrophobicContact CB-CB 3.87Å; R91-D421 WeakPolarHBondContact CB-OD2 3.37Å; R91-D421 VanDerWaalsContact CG-OD2 3.23Å; R91-D421 WeakPolarHBondContact CG-OD2 3.43Å; R91-D421 IonicContact CZ-OD2 2.85Å; R91-D421 IonicContact NE-OD2 2.63Å; R91-D421 PolarHBondContact NE-OD2 3.13Å; R91-D421 PolarHBondContact NH2-O 2.95Å; R91-D421 IonicContact NH2-OD2 2.86Å; R91-D421 WeakPolarHBondContact O-CB 3.47Å; R321-D421 IonicContact CZ-OD2 3.6Å; R321-D421 IonicContact NE-OD1 3.78Å; R321-D421 PolarHBondContact NE-OD1 2.87Å; R321-D421 IonicContact NE-OD2 3.97Å; R321-D421 IonicContact NH2-OD2 3.1Å; R321-D421 PolarHBondContact NH2-OD2 2.73Å; D421-W423 PolarHBondContact O-N 3.48Å; D421-G424 PolarHBondContact O-N 3.06Å; D421-G424 WeakPolarHBondContact OD2-CA 3.38Å
422	P	98.8	Very high	98.6	Very high	62 Å²	62	51 Å²	51	40%	0.403	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.2	-172.5	28.2	-36	0	0	0	113.4	F377 V419	F377-P422 HydrophobicContact CD1-CG 3.52Å; F377-P422 HydrophobicContact CE1-CG 3.67Å; V419-P422 HydrophobicContact CB-CB 4.37Å; V419-P422 HydrophobicContact CG1-CB 4.22Å
423	W	98.8	Very high	98.6	Very high	61 Å²	61	43.8 Å²	43.8	23%	0.231	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.8	174.2	-72.5	96	0	0	0	114.1	F313 Y314 F377 D421 G425 S426 M429	F313-W423 AromaticContact CE1-CZ2 3.92Å; F313-W423 HydrophobicContact CE1-CZ2 3.92Å; F313-W423 HydrophobicContact CZ-CZ2 4.49Å; Y314-W423 AromaticContact CE1-CH2 3.94Å; Y314-W423 HydrophobicContact CE1-CH2 3.94Å; Y314-W423 HydrophobicContact CE1-CZ3 4.43Å; F377-W423 AromaticContact CD1-CD1 3.69Å; F377-W423 AromaticContact CD1-NE1 3.51Å; F377-W423 AromaticContact CD2-NE1 3.69Å; F377-W423 AromaticContact CE1-NE1 3.95Å; F377-W423 AromaticContact CG-CD1 3.73Å; F377-W423 AromaticContact CG-NE1 3.37Å; D421-W423 PolarHBondContact O-N 3.48Å; W423-G425 PolarHBondContact O-N 3.25Å; W423-S426 WeakPolarHBondContact O-CB 3.49Å; W423-S426 PolarHBondContact O-N 3.3Å; W423-M429 HydrophobicContact CB-CB 4.37Å; W423-M429 HydrophobicContact CB-CG 3.99Å; W423-M429 HydrophobicContact CD2-CE 4.3Å; W423-M429 HydrophobicContact CE3-CB 4.41Å; W423-M429 HydrophobicContact CE3-CE 4.29Å
424	G	98.5	Very high	98.6	Very high	21 Å²	21	38 Å²	38	22%	0.216	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	129.4	-177.6	0	0	0	0	0	111.9	D421 E430	D421-G424 PolarHBondContact O-N 3.06Å; D421-G424 WeakPolarHBondContact OD2-CA 3.38Å; G424-E430 VanDerWaalsContact CA-OE1 3.32Å; G424-E430 WeakPolarHBondContact CA-OE1 3.28Å
425	G	97.3	Very high	98.6	Very high	44 Å²	44	36.3 Å²	36.3	45%	0.454	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-8.3	-171	0	0	0	0	0	115.1	W423 Y427 E430	W423-G425 PolarHBondContact O-N 3.25Å; G425-Y427 PolarHBondContact O-N 3.13Å; G425-E430 PolarHBondContact N-OE1 3.36Å
426	S	98.8	Very high	98.6	Very high	36 Å²	36	34.4 Å²	34.4	25%	0.252	19%	0.193	S	C	.	.			trans	-62	122.9	170.5	170.5	0	0	0	0	110.2	W423 M428 M429 E430	W423-S426 WeakPolarHBondContact O-CB 3.49Å; W423-S426 PolarHBondContact O-N 3.3Å; S426-M428 PolarHBondContact O-N 3.34Å; S426-M429 PolarHBondContact O-N 3.17Å; S426-M429 VanDerWaalsContact O-N 3.15Å; S426-E430 WeakPolarHBondContact O-CG 3.36Å; S426-E430 PolarHBondContact O-N 3.37Å
427	Y	98.5	Very high	98.6	Very high	98 Å²	98	34 Å²	34	38%	0.384	19%	0.189	S	C	.	.	H	α-helix	trans	-54.2	-42.6	-175.8	-51.5	-42.2	0	0	0	112.9	S72 R73 T76 G425 S431	S72-Y427 VanDerWaalsContact C-CD2 3.4Å; S72-Y427 VanDerWaalsContact C-CG 3.42Å; S72-Y427 VanDerWaalsContact CA-CD2 3.46Å; S72-Y427 WeakPolarHBondContact O-CB 3.48Å; S72-Y427 WeakPolarHBondContact O-CD1 3.41Å; S72-Y427 VanDerWaalsContact O-CG 3.28Å; R73-Y427 HydrophobicContact CB-CE1 4.17Å; T76-Y427 HydrophobicContact CG2-CD1 4.3Å; T76-Y427 VanDerWaalsContact OG1-CD1 3.27Å; T76-Y427 WeakPolarHBondContact OG1-CD1 3.23Å; G425-Y427 PolarHBondContact O-N 3.13Å; Y427-S431 WeakPolarHBondContact O-CB 3.2Å; Y427-S431 PolarHBondContact O-N 3.46Å; Y427-S431 PolarHBondContact O-OG 2.79Å
428	M	98.7	Very high	98.6	Very high	28 Å²	28	37.2 Å²	37.2	14%	0.138	20%	0.204	C	C	.	.	H	α-helix	trans	-72	-48.2	178.8	-179.2	-82.5	-70.9	0	0	111.4	Y71 Y314 S426 E430 S431 L432	Y71-M428 HydrophobicContact CD2-CB 3.44Å; Y71-M428 VanDerWaalsContact CD2-CB 3.44Å; Y71-M428 HydrophobicContact CD2-CG 3.52Å; Y71-M428 HydrophobicContact CE2-CB 3.93Å; Y71-M428 HydrophobicContact CE2-CG 3.47Å; Y71-M428 VanDerWaalsContact CE2-CG 3.47Å; Y71-M428 HydrophobicContact CG-CB 3.79Å; Y71-M428 HydrophobicContact CG-CG 4.29Å; Y314-M428 HydrophobicContact CD1-CE 3.37Å; Y314-M428 HydrophobicContact CD2-CE 3.98Å; Y314-M428 HydrophobicContact CE1-CE 3.64Å; Y314-M428 HydrophobicContact CE2-CE 4.23Å; Y314-M428 HydrophobicContact CG-CE 3.55Å; Y314-M428 HydrophobicContact CG-SD 4.39Å; S426-M428 PolarHBondContact O-N 3.34Å; M428-E430 VanDerWaalsContact C-N 3.33Å; M428-E430 PolarHBondContact O-N 3.01Å; M428-S431 PolarHBondContact O-N 3.2Å; M428-L432 WeakPolarHBondContact O-CB 3.32Å; M428-L432 PolarHBondContact O-N 2.56Å; M428-L432 HydrophobicContact SD-CB 4.3Å; M428-L432 HydrophobicContact SD-CD2 4.12Å
429	M	98.8	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-38.6	-173.6	-171	56.6	64	0	0	111.8	Y314 I317 A318 W423 S426 T433	Y314-M429 HydrophobicContact CD1-CE 3.92Å; I317-M429 HydrophobicContact CB-CE 3.84Å; I317-M429 HydrophobicContact CB-SD 3.92Å; I317-M429 HydrophobicContact CD1-CE 4.1Å; I317-M429 HydrophobicContact CG2-CE 3.76Å; I317-M429 HydrophobicContact CG2-CG 4.26Å; I317-M429 HydrophobicContact CG2-SD 3.59Å; I317-M429 VanDerWaalsContact CG2-SD 3.59Å; A318-M429 HydrophobicContact CB-SD 4.03Å; W423-M429 HydrophobicContact CB-CB 4.37Å; W423-M429 HydrophobicContact CB-CG 3.99Å; W423-M429 HydrophobicContact CD2-CE 4.3Å; W423-M429 HydrophobicContact CE3-CB 4.41Å; W423-M429 HydrophobicContact CE3-CE 4.29Å; S426-M429 PolarHBondContact O-N 3.17Å; S426-M429 VanDerWaalsContact O-N 3.15Å; M429-T433 VanDerWaalsContact O-CB 3.25Å; M429-T433 WeakPolarHBondContact O-CB 3.13Å; M429-T433 PolarHBondContact O-N 3.39Å; M429-T433 PolarHBondContact O-OG1 3.45Å
430	E	98.6	Very high	98.5	Very high	7 Å²	7	27 Å²	27	3%	0.033	16%	0.157	C	C	.	.	H	α-helix	trans	-68.6	-42.2	177.1	-60.7	-63.9	-178.3	0	0	112.1	T76 L79 R321 G424 G425 S426 M428 T433 N434	T76-E430 HydrophobicContact CG2-CB 3.94Å; L79-E430 HydrophobicContact CD1-CB 3.83Å; L79-E430 HydrophobicContact CD1-CG 4.37Å; L79-E430 HydrophobicContact CD2-CB 4.07Å; L79-E430 HydrophobicContact CD2-CG 3.67Å; R321-E430 IonicContact CZ-OE1 3.49Å; R321-E430 IonicContact CZ-OE2 2.83Å; R321-E430 IonicContact NH1-OE1 2.82Å; R321-E430 IonicContact NH1-OE2 3.62Å; R321-E430 PolarHBondContact NH1-OE2 3.13Å; R321-E430 IonicContact NH2-OE1 3.79Å; R321-E430 PolarHBondContact NH2-OE1 3.29Å; R321-E430 IonicContact NH2-OE2 2.83Å; R321-E430 PolarHBondContact NH2-OE2 2.82Å; G424-E430 VanDerWaalsContact CA-OE1 3.32Å; G424-E430 WeakPolarHBondContact CA-OE1 3.28Å; G425-E430 PolarHBondContact N-OE1 3.36Å; S426-E430 WeakPolarHBondContact O-CG 3.36Å; S426-E430 PolarHBondContact O-N 3.37Å; M428-E430 VanDerWaalsContact C-N 3.33Å; M428-E430 PolarHBondContact O-N 3.01Å; E430-T433 PolarHBondContact O-N 3.2Å; E430-N434 VanDerWaalsContact O-CG 3.26Å; E430-N434 PolarHBondContact O-N 2.85Å; E430-N434 PolarHBondContact O-ND2 3.49Å
431	S	98.3	Very high	98.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-46.8	175.6	-54.9	0	0	0	0	111.3	Y71 Y427 M428 T433 N434 D435	Y71-S431 VanDerWaalsContact CE1-CB 3.47Å; Y427-S431 WeakPolarHBondContact O-CB 3.2Å; Y427-S431 PolarHBondContact O-N 3.46Å; Y427-S431 PolarHBondContact O-OG 2.79Å; M428-S431 PolarHBondContact O-N 3.2Å; S431-T433 VanDerWaalsContact C-N 3.33Å; S431-T433 PolarHBondContact O-N 2.93Å; S431-N434 WeakPolarHBondContact O-CB 3.39Å; S431-N434 PolarHBondContact O-N 3.06Å; S431-N434 VanDerWaalsContact O-N 3.13Å; S431-D435 PolarHBondContact O-N 3.38Å
432	L	98.7	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-38.7	177.5	-176.6	59.2	0	0	0	111.9	I65 I67 M315 A318 M428 N434 D435 V436	I65-L432 HydrophobicContact CD1-CD1 4.46Å; I65-L432 HydrophobicContact CG2-CD1 3.86Å; I67-L432 HydrophobicContact CD1-CD1 3.99Å; I67-L432 HydrophobicContact CD1-CD2 4.09Å; I67-L432 HydrophobicContact CG1-CD1 4.08Å; M315-L432 HydrophobicContact CE-CD1 3.9Å; M315-L432 HydrophobicContact SD-CD1 4.19Å; A318-L432 HydrophobicContact CB-CB 4.21Å; A318-L432 HydrophobicContact CB-CD2 3.85Å; A318-L432 HydrophobicContact CB-CG 3.61Å; M428-L432 WeakPolarHBondContact O-CB 3.32Å; M428-L432 PolarHBondContact O-N 2.56Å; M428-L432 HydrophobicContact SD-CB 4.3Å; M428-L432 HydrophobicContact SD-CD2 4.12Å; L432-N434 VanDerWaalsContact C-N 3.29Å; L432-N434 PolarHBondContact O-N 3.32Å; L432-D435 PolarHBondContact O-N 3.11Å; L432-V436 HydrophobicContact CD1-CG2 4.24Å; L432-V436 HydrophobicContact CG-CG2 4.42Å; L432-V436 WeakPolarHBondContact O-CB 3.15Å; L432-V436 VanDerWaalsContact O-CG2 3.23Å; L432-V436 WeakPolarHBondContact O-CG2 3.41Å; L432-V436 PolarHBondContact O-N 3.28Å
433	T	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-37.5	175	-61.8	0	0	0	0	111.6	T90 R321 A322 M429 E430 S431 Y437	T90-T433 HydrophobicContact CG2-CG2 3.99Å; R321-T433 HydrophobicContact CB-CG2 3.73Å; R321-T433 PolarHBondContact NH1-OG1 3.28Å; A322-T433 HydrophobicContact CB-CG2 4.07Å; M429-T433 VanDerWaalsContact O-CB 3.25Å; M429-T433 WeakPolarHBondContact O-CB 3.13Å; M429-T433 PolarHBondContact O-N 3.39Å; M429-T433 PolarHBondContact O-OG1 3.45Å; E430-T433 PolarHBondContact O-N 3.2Å; S431-T433 VanDerWaalsContact C-N 3.33Å; S431-T433 PolarHBondContact O-N 2.93Å; T433-Y437 VanDerWaalsContact O-CB 3.28Å; T433-Y437 WeakPolarHBondContact O-CB 3.43Å; T433-Y437 PolarHBondContact O-N 2.73Å
434	N	98.4	Very high	98.5	Very high	27 Å²	27	29.1 Å²	29.1	14%	0.144	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-46.5	174.3	-65.2	-22.7	0	0	0	111.4	R325 E430 S431 L432 V436 Y437 E438	R325-N434 PolarHBondContact NH1-OD1 2.83Å; E430-N434 VanDerWaalsContact O-CG 3.26Å; E430-N434 PolarHBondContact O-N 2.85Å; E430-N434 PolarHBondContact O-ND2 3.49Å; S431-N434 WeakPolarHBondContact O-CB 3.39Å; S431-N434 PolarHBondContact O-N 3.06Å; S431-N434 VanDerWaalsContact O-N 3.13Å; L432-N434 VanDerWaalsContact C-N 3.29Å; L432-N434 PolarHBondContact O-N 3.32Å; N434-V436 VanDerWaalsContact C-N 3.33Å; N434-V436 PolarHBondContact O-N 2.92Å; N434-Y437 WeakPolarHBondContact O-CB 3.45Å; N434-Y437 PolarHBondContact O-N 3.34Å; N434-E438 WeakPolarHBondContact O-CG 3.45Å; N434-E438 PolarHBondContact O-N 2.94Å
435	D	98.3	Very high	98.5	Very high	20 Å²	20	31 Å²	31	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-42.9	179.8	-70.3	-19.6	0	0	0	111.5	H32 Q34 I65 S431 L432 E438 A439	H32-D435 IonicContact CD2-OD1 3.75Å; Q34-D435 PolarHBondContact NE2-OD2 3.38Å; I65-D435 HydrophobicContact CD1-CB 4.09Å; I65-D435 HydrophobicContact CG1-CB 4.45Å; I65-D435 HydrophobicContact CG2-CB 4.05Å; S431-D435 PolarHBondContact O-N 3.38Å; L432-D435 PolarHBondContact O-N 3.11Å; D435-E438 PolarHBondContact O-N 3.16Å; D435-A439 VanDerWaalsContact O-CB 3.3Å; D435-A439 WeakPolarHBondContact O-CB 3.36Å; D435-A439 PolarHBondContact O-N 2.99Å
436	V	98.8	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-43	175	171.6	0	0	0	0	111.5	I65 I272 L275 M315 A318 A322 L432 N434 A440	I65-V436 HydrophobicContact CD1-CB 4.45Å; I65-V436 HydrophobicContact CD1-CG2 3.66Å; I272-V436 HydrophobicContact CD1-CB 4.09Å; I272-V436 HydrophobicContact CD1-CG1 3.8Å; I272-V436 HydrophobicContact CD1-CG2 3.98Å; L275-V436 HydrophobicContact CD2-CG1 3.69Å; M315-V436 HydrophobicContact SD-CG2 3.47Å; M315-V436 WeakPolarHBondContact SD-CG2 3.29Å; A318-V436 HydrophobicContact CB-CG2 4.17Å; A322-V436 HydrophobicContact CB-CB 4.13Å; A322-V436 HydrophobicContact CB-CG1 3.75Å; L432-V436 HydrophobicContact CD1-CG2 4.24Å; L432-V436 HydrophobicContact CG-CG2 4.42Å; L432-V436 WeakPolarHBondContact O-CB 3.15Å; L432-V436 VanDerWaalsContact O-CG2 3.23Å; L432-V436 WeakPolarHBondContact O-CG2 3.41Å; L432-V436 PolarHBondContact O-N 3.28Å; N434-V436 VanDerWaalsContact C-N 3.33Å; N434-V436 PolarHBondContact O-N 2.92Å; V436-A440 WeakPolarHBondContact O-CB 3.29Å; V436-A440 PolarHBondContact O-N 2.97Å
437	Y	98.8	Very high	98.4	Very high	27 Å²	27	31.6 Å²	31.6	11%	0.106	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-48.9	176.7	172.4	-81.4	0	0	0	111.5	R325 L326 H329 T433 N434 L441	R325-Y437 HydrophobicContact CB-CD2 4.18Å; R325-Y437 HydrophobicContact CB-CE2 4.33Å; R325-Y437 HydrophobicContact CG-CD2 3.98Å; R325-Y437 HydrophobicContact CG-CE2 3.82Å; L326-Y437 HydrophobicContact CB-CD2 3.94Å; L326-Y437 HydrophobicContact CB-CE2 3.96Å; L326-Y437 HydrophobicContact CD1-CD2 3.98Å; L326-Y437 HydrophobicContact CD1-CE2 3.64Å; L326-Y437 HydrophobicContact CG-CE2 4.42Å; H329-Y437 AromaticContact ND1-CE2 3.59Å; H329-Y437 AromaticContact ND1-CZ 3.54Å; H329-Y437 PolarHBondContact ND1-OH 3.16Å; T433-Y437 VanDerWaalsContact O-CB 3.28Å; T433-Y437 WeakPolarHBondContact O-CB 3.43Å; T433-Y437 PolarHBondContact O-N 2.73Å; N434-Y437 WeakPolarHBondContact O-CB 3.45Å; N434-Y437 PolarHBondContact O-N 3.34Å; Y437-L441 HydrophobicContact CE1-CD2 3.78Å; Y437-L441 WeakPolarHBondContact O-CB 3.46Å; Y437-L441 PolarHBondContact O-N 2.81Å
438	E	98.2	Very high	98.4	Very high	72 Å²	72	29.4 Å²	29.4	34%	0.336	15%	0.146	S	C	.	.	H	α-helix	trans	-67.1	-43	-178	-68.9	-59.2	145.5	0	0	111.7	N434 D435 L441 K442	N434-E438 WeakPolarHBondContact O-CG 3.45Å; N434-E438 PolarHBondContact O-N 2.94Å; D435-E438 PolarHBondContact O-N 3.16Å; E438-L441 PolarHBondContact O-N 2.86Å; E438-K442 WeakPolarHBondContact O-CB 3.34Å; E438-K442 PolarHBondContact O-N 3.15Å
439	A	98.4	Very high	98.3	Very high	29 Å²	29	36 Å²	36	24%	0.24	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-45.1	178	0	0	0	0	0	111.8	I272 D435 K442 L443	I272-A439 HydrophobicContact CD1-CB 4.1Å; I272-A439 HydrophobicContact CG1-CB 4.28Å; I272-A439 HydrophobicContact CG2-CB 3.77Å; D435-A439 VanDerWaalsContact O-CB 3.3Å; D435-A439 WeakPolarHBondContact O-CB 3.36Å; D435-A439 PolarHBondContact O-N 2.99Å; A439-K442 PolarHBondContact O-N 3.02Å; A439-L443 PolarHBondContact O-N 3.49Å
440	A	98.8	Very high	98	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.4	-40.8	177.8	0	0	0	0	0	112.3	I272 L275 A276 L326 V436 K442 L443 I444	I272-A440 HydrophobicContact CG2-CB 4.37Å; L275-A440 HydrophobicContact CB-CB 4.28Å; L275-A440 HydrophobicContact CD2-CB 3.64Å; L275-A440 HydrophobicContact CG-CB 3.79Å; A276-A440 HydrophobicContact CB-CB 4.27Å; L326-A440 HydrophobicContact CD2-CB 3.85Å; V436-A440 WeakPolarHBondContact O-CB 3.29Å; V436-A440 PolarHBondContact O-N 2.97Å; A440-K442 VanDerWaalsContact C-N 3.27Å; A440-K442 PolarHBondContact O-N 3.43Å; A440-L443 PolarHBondContact O-N 3.2Å; A440-I444 VanDerWaalsContact O-CG1 3.32Å; A440-I444 WeakPolarHBondContact O-CG1 3.32Å; A440-I444 PolarHBondContact O-N 3.34Å
441	L	98.6	Very high	97.9	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-38.8	177	178.9	59.5	0	0	0	111.7	L326 L330 Y437 E438 I444 N445	L326-L441 HydrophobicContact CD1-CB 3.81Å; L326-L441 HydrophobicContact CD1-CD1 3.87Å; L326-L441 HydrophobicContact CD1-CG 4.32Å; L330-L441 HydrophobicContact CD2-CD1 4.3Å; Y437-L441 HydrophobicContact CE1-CD2 3.78Å; Y437-L441 WeakPolarHBondContact O-CB 3.46Å; Y437-L441 PolarHBondContact O-N 2.81Å; E438-L441 PolarHBondContact O-N 2.86Å; L441-I444 PolarHBondContact O-N 2.71Å; L441-N445 VanDerWaalsContact O-CG 3.28Å; L441-N445 PolarHBondContact O-N 3.27Å; L441-N445 PolarHBondContact O-ND2 3.32Å; L441-N445 VanDerWaalsContact O-ND2 3.1Å
442	K	98.4	Very high	97.8	Very high	133 Å²	133	40.9 Å²	40.9	58%	0.578	21%	0.214	S	C	*	.	H	α-helix	trans	-57.8	-51.1	175.2	-176.7	-176.2	172.3	-168.8	0	111.3	E438 A439 A440 I444 N445 E446	E438-K442 WeakPolarHBondContact O-CB 3.34Å; E438-K442 PolarHBondContact O-N 3.15Å; A439-K442 PolarHBondContact O-N 3.02Å; A440-K442 VanDerWaalsContact C-N 3.27Å; A440-K442 PolarHBondContact O-N 3.43Å; K442-I444 PolarHBondContact O-N 2.84Å; K442-N445 PolarHBondContact O-N 3.31Å; K442-E446 VanDerWaalsContact CE-OE1 3.27Å; K442-E446 WeakPolarHBondContact CE-OE1 3.26Å; K442-E446 WeakPolarHBondContact O-CG 3.37Å; K442-E446 PolarHBondContact O-N 3.29Å; K442-E446 VanDerWaalsContact O-N 3.1Å
443	L	98.2	Very high	97.7	Very high	37 Å²	37	40.9 Å²	40.9	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-38.1	179.2	-65.6	-176.8	0	0	0	112.7	I272 L273 A276 A439 A440 N445 E446 V447	I272-L443 HydrophobicContact CG2-CD1 3.83Å; L273-L443 HydrophobicContact CD2-CD1 3.8Å; A276-L443 HydrophobicContact CB-CB 3.66Å; A276-L443 HydrophobicContact CB-CD1 4.02Å; A276-L443 HydrophobicContact CB-CG 4.48Å; A439-L443 PolarHBondContact O-N 3.49Å; A440-L443 PolarHBondContact O-N 3.2Å; L443-N445 VanDerWaalsContact C-N 3.32Å; L443-N445 PolarHBondContact O-N 2.91Å; L443-E446 WeakPolarHBondContact O-CB 3.22Å; L443-E446 PolarHBondContact O-N 2.93Å; L443-V447 WeakPolarHBondContact O-CG2 3.38Å; L443-V447 PolarHBondContact O-N 3.26Å
444	I	98.6	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-42.9	175.5	-68.5	165.4	0	0	0	110.7	A276 I279 L283 L326 L330 A440 L441 K442 E446 V447 E448	A276-I444 HydrophobicContact CB-CG1 4.02Å; A276-I444 WeakPolarHBondContact O-CG1 3.49Å; I279-I444 HydrophobicContact CB-CD1 3.84Å; I279-I444 HydrophobicContact CG2-CD1 3.64Å; L283-I444 HydrophobicContact CD1-CG2 4.1Å; L326-I444 HydrophobicContact CD1-CD1 4.32Å; L326-I444 HydrophobicContact CD2-CD1 3.46Å; L326-I444 VanDerWaalsContact CD2-CD1 3.46Å; L326-I444 HydrophobicContact CG-CD1 3.95Å; L330-I444 HydrophobicContact CD1-CD1 3.94Å; L330-I444 HydrophobicContact CD1-CG2 4.19Å; A440-I444 VanDerWaalsContact O-CG1 3.32Å; A440-I444 WeakPolarHBondContact O-CG1 3.32Å; A440-I444 PolarHBondContact O-N 3.34Å; L441-I444 PolarHBondContact O-N 2.71Å; K442-I444 PolarHBondContact O-N 2.84Å; I444-E446 VanDerWaalsContact C-N 3.33Å; I444-E446 PolarHBondContact O-N 3.28Å; I444-V447 PolarHBondContact O-N 2.63Å; I444-E448 HydrophobicContact CG2-CG 4.35Å; I444-E448 WeakPolarHBondContact O-CG 3.33Å; I444-E448 PolarHBondContact O-N 3.18Å
445	N	98.2	Very high	97.1	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-40.1	176.9	-67.9	-38	0	0	0	111.5	L441 K442 L443 V447 E448 E449	L441-N445 VanDerWaalsContact O-CG 3.28Å; L441-N445 PolarHBondContact O-N 3.27Å; L441-N445 PolarHBondContact O-ND2 3.32Å; L441-N445 VanDerWaalsContact O-ND2 3.1Å; K442-N445 PolarHBondContact O-N 3.31Å; L443-N445 VanDerWaalsContact C-N 3.32Å; L443-N445 PolarHBondContact O-N 2.91Å; N445-V447 VanDerWaalsContact C-N 3.35Å; N445-V447 PolarHBondContact O-N 2.95Å; N445-E448 PolarHBondContact O-N 3.44Å; N445-E449 WeakPolarHBondContact O-CB 3Å; N445-E449 VanDerWaalsContact O-CG 3.3Å; N445-E449 WeakPolarHBondContact O-CG 3.22Å; N445-E449 PolarHBondContact O-N 3.05Å
446	E	97.3	Very high	96.9	Very high	84 Å²	84	45 Å²	45	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-59.6	-44.4	174.4	-68.6	171.8	-163.7	0	0	111.2	K442 L443 I444 E449 M450	K442-E446 VanDerWaalsContact CE-OE1 3.27Å; K442-E446 WeakPolarHBondContact CE-OE1 3.26Å; K442-E446 WeakPolarHBondContact O-CG 3.37Å; K442-E446 PolarHBondContact O-N 3.29Å; K442-E446 VanDerWaalsContact O-N 3.1Å; L443-E446 WeakPolarHBondContact O-CB 3.22Å; L443-E446 PolarHBondContact O-N 2.93Å; I444-E446 VanDerWaalsContact C-N 3.33Å; I444-E446 PolarHBondContact O-N 3.28Å; E446-E449 PolarHBondContact O-N 2.69Å; E446-M450 VanDerWaalsContact O-CG 3.25Å; E446-M450 WeakPolarHBondContact O-CG 3.45Å; E446-M450 PolarHBondContact O-N 3.11Å; E446-M450 VanDerWaalsContact O-N 3.13Å
447	V	97.5	Very high	96.6	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-43.3	175.9	171.6	0	0	0	0	111.9	Y277 A280 L443 I444 N445 M450 G451 G452 M453 A456	Y277-V447 HydrophobicContact CD1-CG2 4.39Å; Y277-V447 HydrophobicContact CE1-CG2 4.21Å; A280-V447 HydrophobicContact CB-CG1 4Å; L443-V447 WeakPolarHBondContact O-CG2 3.38Å; L443-V447 PolarHBondContact O-N 3.26Å; I444-V447 PolarHBondContact O-N 2.63Å; N445-V447 VanDerWaalsContact C-N 3.35Å; N445-V447 PolarHBondContact O-N 2.95Å; V447-M450 PolarHBondContact O-N 2.66Å; V447-G451 PolarHBondContact O-N 2.95Å; V447-G452 PolarHBondContact O-N 2.88Å; V447-M453 HydrophobicContact CG1-CB 4.04Å; V447-M453 HydrophobicContact CG1-SD 3.81Å; V447-M453 HydrophobicContact CG2-SD 4.32Å; V447-A456 HydrophobicContact CG1-CB 4.36Å
448	E	97.6	Very high	96.1	Very high	51 Å²	51	48 Å²	48	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-67.2	-37.1	178.3	-70.4	-69.5	113.2	0	0	111.8	L283 R287 M334 I444 N445 M450 G451	L283-E448 HydrophobicContact CD1-CG 4.43Å; R287-E448 IonicContact CZ-OE1 3.92Å; R287-E448 IonicContact CZ-OE2 2.74Å; R287-E448 IonicContact NH1-OE1 3.62Å; R287-E448 PolarHBondContact NH1-OE1 3Å; R287-E448 VanDerWaalsContact NH1-OE1 3.1Å; R287-E448 IonicContact NH1-OE2 3.59Å; R287-E448 PolarHBondContact NH1-OE2 2.53Å; R287-E448 IonicContact NH2-OE1 3.42Å; R287-E448 PolarHBondContact NH2-OE1 3.19Å; R287-E448 IonicContact NH2-OE2 3.94Å; M334-E448 WeakPolarHBondContact CE-OE2 3.46Å; I444-E448 HydrophobicContact CG2-CG 4.35Å; I444-E448 WeakPolarHBondContact O-CG 3.33Å; I444-E448 PolarHBondContact O-N 3.18Å; N445-E448 PolarHBondContact O-N 3.44Å; E448-M450 VanDerWaalsContact C-N 3.27Å; E448-M450 PolarHBondContact O-N 2.68Å; E448-G451 PolarHBondContact O-N 3.14Å; E448-G451 VanDerWaalsContact O-N 3.09Å
449	E	97	Very high	95.8	Very high	167 Å²	167	48.2 Å²	48.2	78%	0.78	27%	0.265	S	S	*	.	H	α-helix	trans	-62.9	-32	173.7	-76.9	175.5	-168.1	0	0	112.7	N445 E446 G451	N445-E449 WeakPolarHBondContact O-CB 3Å; N445-E449 VanDerWaalsContact O-CG 3.3Å; N445-E449 WeakPolarHBondContact O-CG 3.22Å; N445-E449 PolarHBondContact O-N 3.05Å; E446-E449 PolarHBondContact O-N 2.69Å; E449-G451 PolarHBondContact O-N 3.11Å
450	M	93.3	Very high	95.4	Very high	57 Å²	57	48 Å²	48	28%	0.281	27%	0.265	S	S	.	.	H	α-helix	trans	-74.5	-13.6	175.7	-67.5	168.1	64.8	0	0	113.3	E446 V447 E448 K455 A456 I461	E446-M450 VanDerWaalsContact O-CG 3.25Å; E446-M450 WeakPolarHBondContact O-CG 3.45Å; E446-M450 PolarHBondContact O-N 3.11Å; E446-M450 VanDerWaalsContact O-N 3.13Å; V447-M450 PolarHBondContact O-N 2.66Å; E448-M450 VanDerWaalsContact C-N 3.27Å; E448-M450 PolarHBondContact O-N 2.68Å; M450-K455 VanDerWaalsContact O-CD 3.29Å; M450-K455 WeakPolarHBondContact O-CD 3.41Å; M450-K455 WeakPolarHBondContact O-CE 3.42Å; M450-K455 PolarHBondContact O-NZ 2.88Å; M450-A456 HydrophobicContact CE-CB 4.3Å; M450-I461 HydrophobicContact CE-CD1 3.3Å
451	G	95.3	Very high	95.2	Very high	52 Å²	52	50.5 Å²	50.5	54%	0.536	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	109	21.6	-179.4	0	0	0	0	0	114.5	V447 E448 E449	V447-G451 PolarHBondContact O-N 2.95Å; E448-G451 PolarHBondContact O-N 3.14Å; E448-G451 VanDerWaalsContact O-N 3.09Å; E449-G451 PolarHBondContact O-N 3.11Å
452	G	96	Very high	95	Very high	1 Å²	1	49 Å²	49	1%	0.01	27%	0.271	C	S	.	.			trans	95	170.5	175.9	0	0	0	0	0	113.9	V447 A454 K455 A456	V447-G452 PolarHBondContact O-N 2.88Å; G452-A454 PolarHBondContact O-N 2.78Å; G452-K455 PolarHBondContact O-N 2.88Å; G452-A456 PolarHBondContact O-N 3.13Å; G452-A456 VanDerWaalsContact O-N 3.13Å
453	M	96.6	Very high	94.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.7	-34.2	-167.6	-164.7	54.4	-179.2	0	0	112.7	M224 Y277 A280 D281 E284 V447 K455 A456 V457 P462	M224-M453 HydrophobicContact CE-CE 3.35Å; M224-M453 HydrophobicContact SD-CE 3.25Å; M224-M453 WeakPolarHBondContact SD-CE 3.1Å; Y277-M453 HydrophobicContact CD1-CE 3.86Å; Y277-M453 HydrophobicContact CD1-SD 4.27Å; Y277-M453 HydrophobicContact CD2-CE 4.43Å; Y277-M453 HydrophobicContact CG-CE 3.73Å; A280-M453 HydrophobicContact CB-CB 4.07Å; A280-M453 HydrophobicContact CB-CG 4.16Å; A280-M453 HydrophobicContact CB-SD 4.23Å; D281-M453 WeakPolarHBondContact OD1-CG 3.43Å; E284-M453 PolarHBondContact OE2-N 3.12Å; V447-M453 HydrophobicContact CG1-CB 4.04Å; V447-M453 HydrophobicContact CG1-SD 3.81Å; V447-M453 HydrophobicContact CG2-SD 4.32Å; M453-K455 VanDerWaalsContact C-N 3.27Å; M453-K455 PolarHBondContact O-N 3.27Å; M453-A456 PolarHBondContact O-N 3.26Å; M453-A456 HydrophobicContact SD-CB 4.26Å; M453-V457 HydrophobicContact CE-CG2 3.85Å; M453-V457 HydrophobicContact CG-CG2 4.24Å; M453-V457 WeakPolarHBondContact O-CB 3.33Å; M453-V457 VanDerWaalsContact O-CG2 3.22Å; M453-V457 WeakPolarHBondContact O-CG2 3.25Å; M453-V457 PolarHBondContact O-N 3Å; M453-V457 HydrophobicContact SD-CG2 4.33Å; M453-P462 HydrophobicContact CE-CB 3.94Å; M453-P462 HydrophobicContact CE-CG 3.68Å; M453-P462 HydrophobicContact SD-CG 4.15Å
454	A	92.4	Very high	94.8	Very high	28 Å²	28	43.5 Å²	43.5	23%	0.231	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-41	175.7	0	0	0	0	0	112.2	L220 E284 G452 A458	L220-A454 HydrophobicContact CD2-CB 4.14Å; E284-A454 HydrophobicContact CG-CB 3.89Å; E284-A454 PolarHBondContact OE2-N 2.77Å; G452-A454 PolarHBondContact O-N 2.78Å; A454-A458 WeakPolarHBondContact O-CB 3.03Å; A454-A458 PolarHBondContact O-N 3.33Å; A454-A458 VanDerWaalsContact O-N 3.1Å
455	K	93.6	Very high	94.7	Very high	104 Å²	104	49.3 Å²	49.3	45%	0.452	27%	0.269	S	S	.	.	H	α-helix	trans	-72.7	-43.7	177.4	-177.2	172.1	165.5	-153.8	0	111.9	M450 G452 M453 V457 A458 E459	M450-K455 VanDerWaalsContact O-CD 3.29Å; M450-K455 WeakPolarHBondContact O-CD 3.41Å; M450-K455 WeakPolarHBondContact O-CE 3.42Å; M450-K455 PolarHBondContact O-NZ 2.88Å; G452-K455 PolarHBondContact O-N 2.88Å; M453-K455 VanDerWaalsContact C-N 3.27Å; M453-K455 PolarHBondContact O-N 3.27Å; K455-V457 VanDerWaalsContact C-N 3.28Å; K455-V457 PolarHBondContact O-N 2.82Å; K455-A458 PolarHBondContact O-N 2.98Å; K455-A458 VanDerWaalsContact O-N 3.17Å; K455-E459 WeakPolarHBondContact CE-OE1 3.44Å; K455-E459 WeakPolarHBondContact O-CG 3.23Å; K455-E459 PolarHBondContact O-N 3.42Å
456	A	94.1	Very high	94.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-40.8	176.6	0	0	0	0	0	112.2	V447 M450 G452 M453 E459 G460 I461 P462	V447-A456 HydrophobicContact CG1-CB 4.36Å; M450-A456 HydrophobicContact CE-CB 4.3Å; G452-A456 PolarHBondContact O-N 3.13Å; G452-A456 VanDerWaalsContact O-N 3.13Å; M453-A456 PolarHBondContact O-N 3.26Å; M453-A456 HydrophobicContact SD-CB 4.26Å; A456-E459 PolarHBondContact O-N 2.98Å; A456-G460 PolarHBondContact O-N 3.42Å; A456-I461 PolarHBondContact O-N 3.28Å; A456-P462 HydrophobicContact CB-CG 4.17Å; A456-P462 WeakPolarHBondContact O-CD 3.44Å
457	V	92.4	Very high	94.7	Very high	16 Å²	16	43.5 Å²	43.5	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-45.5	174.5	170.2	0	0	0	0	111.3	F223 M224 M453 K455 E459 G460 P462	F223-V457 HydrophobicContact CB-CG1 3.53Å; F223-V457 HydrophobicContact CG-CG1 4.37Å; M224-V457 HydrophobicContact CE-CG2 4.01Å; M224-V457 HydrophobicContact CG-CG1 4.22Å; M224-V457 HydrophobicContact CG-CG2 3.64Å; M224-V457 HydrophobicContact SD-CG2 3.88Å; M453-V457 HydrophobicContact CE-CG2 3.85Å; M453-V457 HydrophobicContact CG-CG2 4.24Å; M453-V457 WeakPolarHBondContact O-CB 3.33Å; M453-V457 VanDerWaalsContact O-CG2 3.22Å; M453-V457 WeakPolarHBondContact O-CG2 3.25Å; M453-V457 PolarHBondContact O-N 3Å; M453-V457 HydrophobicContact SD-CG2 4.33Å; K455-V457 VanDerWaalsContact C-N 3.28Å; K455-V457 PolarHBondContact O-N 2.82Å; V457-E459 PolarHBondContact O-N 3.49Å; V457-G460 PolarHBondContact O-N 3.3Å; V457-P462 HydrophobicContact CG2-CG 4.28Å
458	A	88.4	Confident	94.7	Very high	75 Å²	75	44.8 Å²	44.8	62%	0.62	25%	0.245	S	C	*	.	H	α-helix	trans	-61.9	-30.3	177.1	0	0	0	0	0	113.1	A454 K455 G460	A454-A458 WeakPolarHBondContact O-CB 3.03Å; A454-A458 PolarHBondContact O-N 3.33Å; A454-A458 VanDerWaalsContact O-N 3.1Å; K455-A458 PolarHBondContact O-N 2.98Å; K455-A458 VanDerWaalsContact O-N 3.17Å; A458-G460 VanDerWaalsContact C-N 3.29Å
459	E	90.8	Very high	94.7	Very high	76 Å²	76	43 Å²	43	36%	0.355	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.6	174.3	-69.3	178.7	-169.1	0	0	113.7	K455 A456 V457 I461	K455-E459 WeakPolarHBondContact CE-OE1 3.44Å; K455-E459 WeakPolarHBondContact O-CG 3.23Å; K455-E459 PolarHBondContact O-N 3.42Å; A456-E459 PolarHBondContact O-N 2.98Å; V457-E459 PolarHBondContact O-N 3.49Å; E459-I461 VanDerWaalsContact C-N 3.32Å; E459-I461 HydrophobicContact CB-CD1 4.16Å; E459-I461 HydrophobicContact CB-CG1 4.41Å; E459-I461 PolarHBondContact O-N 3.39Å
460	G	90.9	Very high	94.7	Very high	25 Å²	25	35.2 Å²	35.2	26%	0.258	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	8.8	176.4	0	0	0	0	0	115.3	A456 V457 A458 L464	A456-G460 PolarHBondContact O-N 3.42Å; V457-G460 PolarHBondContact O-N 3.3Å; A458-G460 VanDerWaalsContact C-N 3.29Å; G460-L464 PolarHBondContact O-N 3.26Å
461	I	93.4	Very high	95	Very high	53 Å²	53	32.5 Å²	32.5	27%	0.272	19%	0.188	S	C	.	.	H	α-helix	trans	-69	-47.8	-173.7	-69.8	164	0	0	0	112.5	M450 A456 E459 K463 L464 R465	M450-I461 HydrophobicContact CE-CD1 3.3Å; A456-I461 PolarHBondContact O-N 3.28Å; E459-I461 VanDerWaalsContact C-N 3.32Å; E459-I461 HydrophobicContact CB-CD1 4.16Å; E459-I461 HydrophobicContact CB-CG1 4.41Å; E459-I461 PolarHBondContact O-N 3.39Å; I461-K463 PolarHBondContact O-N 2.6Å; I461-L464 PolarHBondContact O-N 2.97Å; I461-R465 WeakPolarHBondContact O-CG 2.99Å; I461-R465 PolarHBondContact O-N 3.31Å; I461-R465 VanDerWaalsContact O-N 3.1Å
462	P	96	Very high	95.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-45.6	177.8	-28.3	37	0	0	0	113	M224 Y277 M453 A456 V457 L464 R465 I466	M224-P462 HydrophobicContact CG-CB 4.16Å; M224-P462 HydrophobicContact SD-CB 3.54Å; M224-P462 VanDerWaalsContact SD-CB 3.54Å; M224-P462 HydrophobicContact SD-CG 4.28Å; Y277-P462 HydrophobicContact CD2-CB 4.02Å; Y277-P462 HydrophobicContact CE1-CB 4.42Å; Y277-P462 HydrophobicContact CE1-CG 4.49Å; Y277-P462 HydrophobicContact CE2-CB 3.69Å; M453-P462 HydrophobicContact CE-CB 3.94Å; M453-P462 HydrophobicContact CE-CG 3.68Å; M453-P462 HydrophobicContact SD-CG 4.15Å; A456-P462 HydrophobicContact CB-CG 4.17Å; A456-P462 WeakPolarHBondContact O-CD 3.44Å; V457-P462 HydrophobicContact CG2-CG 4.28Å; P462-L464 PolarHBondContact O-N 3.26Å; P462-R465 PolarHBondContact O-N 2.8Å; P462-I466 VanDerWaalsContact O-CG1 3.29Å; P462-I466 WeakPolarHBondContact O-CG1 3.28Å; P462-I466 PolarHBondContact O-N 3.4Å
463	K	95.6	Very high	95.2	Very high	17 Å²	17	36 Å²	36	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-47.8	177.9	-177	172.3	-178.3	73.2	0	111.4	M224 I461 R465 I466 E467 D578 D626	M224-K463 WeakPolarHBondContact O-CD 3.46Å; M224-K463 VanDerWaalsContact O-CG 3.29Å; M224-K463 WeakPolarHBondContact O-CG 3.23Å; M224-K463 PolarHBondContact O-NZ 3.29Å; I461-K463 PolarHBondContact O-N 2.6Å; K463-R465 VanDerWaalsContact C-N 3.35Å; K463-R465 PolarHBondContact O-N 3.46Å; K463-I466 PolarHBondContact O-N 3.45Å; K463-E467 VanDerWaalsContact CE-OE1 3.28Å; K463-E467 WeakPolarHBondContact CE-OE1 3.44Å; K463-E467 HydrophobicContact CG-CG 4.46Å; K463-E467 IonicContact NZ-OE1 3.65Å; K463-E467 WeakPolarHBondContact O-CG 3.18Å; K463-E467 PolarHBondContact O-N 2.81Å; K463-D578 VanDerWaalsContact CE-OD2 3.26Å; K463-D578 WeakPolarHBondContact CE-OD2 3.29Å; K463-D626 IonicContact NZ-OD2 3.54Å; K463-D626 PolarHBondContact NZ-OD2 3.03Å
464	L	95	Very high	95.3	Very high	37 Å²	37	37.7 Å²	37.7	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-43.4	178.4	-175.5	68.5	0	0	0	112.3	G460 I461 P462 I466 E467 E468 R579 V581	G460-L464 PolarHBondContact O-N 3.26Å; I461-L464 PolarHBondContact O-N 2.97Å; P462-L464 PolarHBondContact O-N 3.26Å; L464-I466 VanDerWaalsContact C-N 3.35Å; L464-I466 PolarHBondContact O-N 2.89Å; L464-E467 PolarHBondContact O-N 3.09Å; L464-E468 WeakPolarHBondContact O-CG 3.21Å; L464-E468 PolarHBondContact O-N 2.73Å; L464-R579 HydrophobicContact CD1-CB 4.37Å; L464-V581 HydrophobicContact CD1-CG2 3.64Å
465	R	96.9	Very high	95.6	Very high	122 Å²	122	36.3 Å²	36.3	46%	0.46	18%	0.182	S	C	.	.	H	α-helix	trans	-64.6	-38.2	178	-68.6	-59.8	-169.2	-168	1.2	112.8	L273 I461 P462 K463 E468 C469	L273-R465 HydrophobicContact CD1-CB 4.3Å; I461-R465 WeakPolarHBondContact O-CG 2.99Å; I461-R465 PolarHBondContact O-N 3.31Å; I461-R465 VanDerWaalsContact O-N 3.1Å; P462-R465 PolarHBondContact O-N 2.8Å; K463-R465 VanDerWaalsContact C-N 3.35Å; K463-R465 PolarHBondContact O-N 3.46Å; R465-E468 WeakPolarHBondContact CD-OE2 3.45Å; R465-E468 IonicContact CZ-OE2 2.77Å; R465-E468 IonicContact NH1-OE1 3.87Å; R465-E468 IonicContact NH1-OE2 2.8Å; R465-E468 PolarHBondContact NH1-OE2 3.35Å; R465-E468 PolarHBondContact O-N 2.84Å; R465-C469 PolarHBondContact O-N 2.91Å; R465-C469 VanDerWaalsContact O-N 3.12Å
466	I	98.2	Very high	95.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-45.5	176.3	-67.3	172.3	0	0	0	110.3	V225 M264 A267 A269 Y277 P462 K463 L464 E468 C469 A470	V225-I466 HydrophobicContact CG1-CD1 3.64Å; V225-I466 HydrophobicContact CG1-CG2 4.07Å; M264-I466 HydrophobicContact CB-CD1 4.16Å; M264-I466 HydrophobicContact CG-CD1 4.45Å; A267-I466 HydrophobicContact CB-CG2 3.8Å; A269-I466 HydrophobicContact CB-CD1 4.34Å; A269-I466 HydrophobicContact CB-CG1 3.94Å; A269-I466 HydrophobicContact CB-CG2 4.35Å; Y277-I466 HydrophobicContact CD2-CD1 4.23Å; Y277-I466 HydrophobicContact CE2-CD1 4.37Å; Y277-I466 HydrophobicContact CE2-CG1 4.29Å; P462-I466 VanDerWaalsContact O-CG1 3.29Å; P462-I466 WeakPolarHBondContact O-CG1 3.28Å; P462-I466 PolarHBondContact O-N 3.4Å; K463-I466 PolarHBondContact O-N 3.45Å; L464-I466 VanDerWaalsContact C-N 3.35Å; L464-I466 PolarHBondContact O-N 2.89Å; I466-E468 VanDerWaalsContact C-N 3.33Å; I466-E468 PolarHBondContact O-N 2.98Å; I466-C469 PolarHBondContact O-N 3.47Å; I466-C469 VanDerWaalsContact O-N 3.16Å; I466-A470 PolarHBondContact O-N 3.25Å
467	E	97.2	Very high	96	Very high	21 Å²	21	33.6 Å²	33.6	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-38	176.5	-70.3	178.9	175.2	0	0	112	K463 L464 A470 A471 V581 K630	K463-E467 VanDerWaalsContact CE-OE1 3.28Å; K463-E467 WeakPolarHBondContact CE-OE1 3.44Å; K463-E467 HydrophobicContact CG-CG 4.46Å; K463-E467 IonicContact NZ-OE1 3.65Å; K463-E467 WeakPolarHBondContact O-CG 3.18Å; K463-E467 PolarHBondContact O-N 2.81Å; L464-E467 PolarHBondContact O-N 3.09Å; E467-A470 PolarHBondContact O-N 3.16Å; E467-A471 WeakPolarHBondContact O-CB 3.26Å; E467-A471 PolarHBondContact O-N 3.1Å; E467-V581 HydrophobicContact CB-CG2 3.57Å; E467-K630 IonicContact OE1-NZ 2.76Å; E467-K630 PolarHBondContact OE1-NZ 2.95Å; E467-K630 IonicContact OE2-NZ 3.9Å
468	E	97.2	Very high	96.3	Very high	35 Å²	35	33 Å²	33	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-43.8	172.4	-76.2	175.7	178.1	0	0	111.9	L464 R465 I466 A471 R472 V581	L464-E468 WeakPolarHBondContact O-CG 3.21Å; L464-E468 PolarHBondContact O-N 2.73Å; R465-E468 WeakPolarHBondContact CD-OE2 3.45Å; R465-E468 IonicContact CZ-OE2 2.77Å; R465-E468 IonicContact NH1-OE1 3.87Å; R465-E468 IonicContact NH1-OE2 2.8Å; R465-E468 PolarHBondContact NH1-OE2 3.35Å; R465-E468 PolarHBondContact O-N 2.84Å; I466-E468 VanDerWaalsContact C-N 3.33Å; I466-E468 PolarHBondContact O-N 2.98Å; E468-A471 PolarHBondContact O-N 3.38Å; E468-R472 WeakPolarHBondContact O-CG 3.45Å; E468-R472 PolarHBondContact O-N 3.13Å; E468-R472 IonicContact OE2-NH2 3.4Å; E468-V581 HydrophobicContact CG-CG1 3.98Å; E468-V581 HydrophobicContact CG-CG2 4Å
469	C	97.9	Very high	96.8	Very high	14 Å²	14	31.7 Å²	31.7	10%	0.095	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-39.5	176.6	-73.1	0	0	0	0	111.9	G268 D270 L273 R465 I466 R472 R473	G268-C469 WeakPolarHBondContact O-CB 3.31Å; D270-C469 PolarHBondContact OD2-SG 2.93Å; D270-C469 VanDerWaalsContact OD2-SG 3.37Å; L273-C469 HydrophobicContact CD1-CB 4.47Å; L273-C469 VanDerWaalsContact CD1-SG 3.6Å; R465-C469 PolarHBondContact O-N 2.91Å; R465-C469 VanDerWaalsContact O-N 3.12Å; I466-C469 PolarHBondContact O-N 3.47Å; I466-C469 VanDerWaalsContact O-N 3.16Å; C469-R472 PolarHBondContact O-N 3.11Å; C469-R472 PolarHBondContact SG-NH2 3.48Å; C469-R472 VanDerWaalsContact SG-NH2 3.42Å; C469-R473 WeakPolarHBondContact O-CB 3.12Å; C469-R473 PolarHBondContact O-N 2.95Å
470	A	98.1	Very high	97.1	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-45.3	174.4	0	0	0	0	0	112.2	A267 I466 E467 R473 Q474 R627 V631	A267-A470 WeakPolarHBondContact O-CB 3.44Å; I466-A470 PolarHBondContact O-N 3.25Å; E467-A470 PolarHBondContact O-N 3.16Å; A470-R473 PolarHBondContact O-N 2.6Å; A470-Q474 PolarHBondContact O-N 3Å; A470-R627 HydrophobicContact CB-CG 4.2Å; A470-V631 HydrophobicContact CB-CG2 3.93Å
471	A	98.3	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-46.3	178.7	0	0	0	0	0	112	E467 E468 R473 Q474 A475 A584 T634	E467-A471 WeakPolarHBondContact O-CB 3.26Å; E467-A471 PolarHBondContact O-N 3.1Å; E468-A471 PolarHBondContact O-N 3.38Å; A471-R473 VanDerWaalsContact C-N 3.33Å; A471-R473 PolarHBondContact O-N 2.87Å; A471-Q474 PolarHBondContact O-N 2.99Å; A471-A475 PolarHBondContact O-N 3.39Å; A471-A584 HydrophobicContact CB-CB 4.15Å; A471-T634 HydrophobicContact CB-CG2 4.05Å
472	R	98.3	Very high	97.6	Very high	72 Å²	72	32.1 Å²	32.1	27%	0.272	17%	0.165	S	C	.	.	H	α-helix	trans	-60.1	-44.4	174.4	-72.1	-171	-78.9	-92.5	-2.4	111.2	E468 C469 Q474 A475 R476 E588	E468-R472 WeakPolarHBondContact O-CG 3.45Å; E468-R472 PolarHBondContact O-N 3.13Å; E468-R472 IonicContact OE2-NH2 3.4Å; C469-R472 PolarHBondContact O-N 3.11Å; C469-R472 PolarHBondContact SG-NH2 3.48Å; C469-R472 VanDerWaalsContact SG-NH2 3.42Å; R472-Q474 PolarHBondContact O-N 3.27Å; R472-A475 WeakPolarHBondContact O-CB 3.28Å; R472-A475 PolarHBondContact O-N 3.46Å; R472-R476 PolarHBondContact O-N 2.84Å; R472-E588 HydrophobicContact CB-CB 4.19Å; R472-E588 HydrophobicContact CB-CG 3.89Å; R472-E588 HydrophobicContact CG-CB 4.01Å; R472-E588 HydrophobicContact CG-CG 4.19Å; R472-E588 WeakPolarHBondContact O-CG 3.43Å
473	R	98.4	Very high	97.7	Very high	56 Å²	56	35.5 Å²	35.5	21%	0.211	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-42.9	178.4	-166.3	170.1	-166.4	179.9	0.1	112.4	W354 C469 A470 A471 A475 R476 I477 E482	W354-R473 HydrophobicContact CH2-CG 4.28Å; W354-R473 VanDerWaalsContact CZ3-NH1 3.3Å; C469-R473 WeakPolarHBondContact O-CB 3.12Å; C469-R473 PolarHBondContact O-N 2.95Å; A470-R473 PolarHBondContact O-N 2.6Å; A471-R473 VanDerWaalsContact C-N 3.33Å; A471-R473 PolarHBondContact O-N 2.87Å; R473-A475 VanDerWaalsContact C-N 3.32Å; R473-A475 PolarHBondContact O-N 3.08Å; R473-R476 PolarHBondContact O-N 2.83Å; R473-I477 HydrophobicContact CG-CD1 4.12Å; R473-I477 WeakPolarHBondContact O-CG1 3.24Å; R473-I477 PolarHBondContact O-N 3.28Å; R473-I477 VanDerWaalsContact O-N 3.09Å; R473-E482 IonicContact CZ-OE1 3.71Å; R473-E482 IonicContact NE-OE1 2.78Å; R473-E482 PolarHBondContact NE-OE1 3.31Å; R473-E482 IonicContact NE-OE2 2.78Å; R473-E482 IonicContact NH2-OE1 3.91Å; R473-E482 PolarHBondContact NH2-OE1 2.8Å
474	Q	98.5	Very high	97.8	Very high	34 Å²	34	36.2 Å²	36.2	16%	0.159	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-41.9	175.8	-167.1	66.5	42.7	0	0	111.6	A470 A471 R472 R476 I477 D478 Y585 V631 I726	A470-Q474 PolarHBondContact O-N 3Å; A471-Q474 PolarHBondContact O-N 2.99Å; R472-Q474 PolarHBondContact O-N 3.27Å; Q474-R476 VanDerWaalsContact C-N 3.32Å; Q474-R476 PolarHBondContact O-N 2.96Å; Q474-I477 PolarHBondContact O-N 2.76Å; Q474-D478 PolarHBondContact NE2-OD1 2.95Å; Q474-D478 WeakPolarHBondContact O-CB 3.34Å; Q474-D478 PolarHBondContact O-N 3.28Å; Q474-Y585 HydrophobicContact CB-CD2 4.36Å; Q474-Y585 HydrophobicContact CB-CE2 4.27Å; Q474-Y585 HydrophobicContact CG-CE2 4.13Å; Q474-V631 HydrophobicContact CB-CG1 3.61Å; Q474-V631 HydrophobicContact CG-CG1 3.57Å; Q474-I726 HydrophobicContact CG-CD1 4.08Å; Q474-I726 HydrophobicContact CG-CG1 4.4Å
475	A	98.4	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-39.1	177.1	0	0	0	0	0	112.7	A471 R472 R473 S479 Y585 E588 F589	A471-A475 PolarHBondContact O-N 3.39Å; R472-A475 WeakPolarHBondContact O-CB 3.28Å; R472-A475 PolarHBondContact O-N 3.46Å; R473-A475 VanDerWaalsContact C-N 3.32Å; R473-A475 PolarHBondContact O-N 3.08Å; A475-S479 WeakPolarHBondContact O-CB 3.46Å; A475-S479 PolarHBondContact O-N 3.5Å; A475-S479 PolarHBondContact O-OG 2.82Å; A475-Y585 HydrophobicContact CB-CD2 3.73Å; A475-Y585 HydrophobicContact CB-CE2 3.86Å; A475-Y585 HydrophobicContact CB-CG 4.3Å; A475-Y585 VanDerWaalsContact CB-O 3.26Å; A475-Y585 WeakPolarHBondContact CB-O 3.48Å; A475-E588 HydrophobicContact CB-CB 3.8Å; A475-E588 HydrophobicContact CB-CG 3.95Å; A475-F589 HydrophobicContact CB-CB 4.12Å; A475-F589 HydrophobicContact CB-CD2 4.39Å
476	R	98.5	Very high	98	Very high	36 Å²	36	31.6 Å²	31.6	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-40.5	174.4	-70.6	-170.2	-65.8	-86.5	1.7	113	R472 R473 Q474 S479 G480 S481 E482 E588	R472-R476 PolarHBondContact O-N 2.84Å; R473-R476 PolarHBondContact O-N 2.83Å; Q474-R476 VanDerWaalsContact C-N 3.32Å; Q474-R476 PolarHBondContact O-N 2.96Å; R476-S479 WeakPolarHBondContact CA-OG 3.5Å; R476-S479 PolarHBondContact O-OG 2.87Å; R476-S479 VanDerWaalsContact O-OG 3.08Å; R476-G480 PolarHBondContact O-N 3.17Å; R476-G480 VanDerWaalsContact O-N 3.14Å; R476-S481 WeakPolarHBondContact CA-OG 3.21Å; R476-S481 WeakPolarHBondContact CB-OG 3.36Å; R476-S481 PolarHBondContact O-N 3.02Å; R476-S481 PolarHBondContact O-OG 3.09Å; R476-S481 VanDerWaalsContact O-OG 3.09Å; R476-E482 HydrophobicContact CB-CB 3.79Å; R476-E482 IonicContact NE-OE2 2.78Å; R476-E482 PolarHBondContact NE-OE2 3.24Å; R476-E482 PolarHBondContact O-N 3.22Å; R476-E588 VanDerWaalsContact CD-OE1 3.28Å; R476-E588 WeakPolarHBondContact CD-OE1 3.4Å; R476-E588 HydrophobicContact CG-CG 3.9Å; R476-E588 VanDerWaalsContact CG-OE1 3.23Å; R476-E588 WeakPolarHBondContact CG-OE1 3.36Å; R476-E588 IonicContact CZ-OE1 3.97Å; R476-E588 IonicContact NE-OE1 3.25Å; R476-E588 IonicContact NH1-OE1 2.95Å; R476-E588 PolarHBondContact NH1-OE1 3.02Å
477	I	98.4	Very high	97.9	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-49	177.8	-65.4	161.8	0	0	0	110.4	W354 R473 Q474 S479 G480 E482 I484 N488	W354-I477 HydrophobicContact CH2-CD1 3.72Å; W354-I477 HydrophobicContact CZ2-CD1 3.58Å; R473-I477 HydrophobicContact CG-CD1 4.12Å; R473-I477 WeakPolarHBondContact O-CG1 3.24Å; R473-I477 PolarHBondContact O-N 3.28Å; R473-I477 VanDerWaalsContact O-N 3.09Å; Q474-I477 PolarHBondContact O-N 2.76Å; I477-S479 VanDerWaalsContact C-N 3.32Å; I477-S479 PolarHBondContact O-N 2.91Å; I477-G480 PolarHBondContact O-N 2.95Å; I477-G480 VanDerWaalsContact O-N 3.07Å; I477-E482 HydrophobicContact CG1-CB 4.14Å; I477-E482 HydrophobicContact CG1-CG 4.19Å; I477-I484 HydrophobicContact CD1-CD1 3.86Å; I477-I484 HydrophobicContact CG1-CD1 3.92Å; I477-I484 HydrophobicContact CG2-CD1 3.8Å; I477-I484 HydrophobicContact CG2-CG1 4.44Å; I477-N488 PolarHBondContact O-ND2 3.11Å
478	D	98.3	Very high	98	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-33.6	-177.1	-75.2	9.4	0	0	0	111.7	Q474 G480 Y585 F589 R725 I726	Q474-D478 PolarHBondContact NE2-OD1 2.95Å; Q474-D478 WeakPolarHBondContact O-CB 3.34Å; Q474-D478 PolarHBondContact O-N 3.28Å; D478-G480 VanDerWaalsContact C-N 3.32Å; D478-Y585 PolarHBondContact OD2-OH 3.29Å; D478-Y585 VanDerWaalsContact OD2-OH 3.07Å; D478-F589 HydrophobicContact CB-CD2 4.41Å; D478-F589 HydrophobicContact CB-CE2 3.75Å; D478-R725 HydrophobicContact CB-CG 4.46Å; D478-R725 VanDerWaalsContact O-CZ 3.22Å; D478-R725 PolarHBondContact O-NE 3.18Å; D478-R725 PolarHBondContact O-NH2 3.35Å; D478-R725 WeakPolarHBondContact OD2-CA 3.33Å; D478-I726 PolarHBondContact OD2-N 3.13Å
479	S	97.6	Very high	98	Very high	47 Å²	47	36.1 Å²	36.1	33%	0.329	20%	0.199	S	C	.	.	H	α-helix	trans	-76.2	-17.1	173.4	61.3	0	0	0	0	113.7	A475 R476 I477 S481	A475-S479 WeakPolarHBondContact O-CB 3.46Å; A475-S479 PolarHBondContact O-N 3.5Å; A475-S479 PolarHBondContact O-OG 2.82Å; R476-S479 WeakPolarHBondContact CA-OG 3.5Å; R476-S479 PolarHBondContact O-OG 2.87Å; R476-S479 VanDerWaalsContact O-OG 3.08Å; I477-S479 VanDerWaalsContact C-N 3.32Å; I477-S479 PolarHBondContact O-N 2.91Å; S479-S481 PolarHBondContact OG-OG 3.06Å; S479-S481 VanDerWaalsContact OG-OG 3.13Å
480	G	97.3	Very high	98	Very high	37 Å²	37	42.9 Å²	42.9	38%	0.381	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	9.8	-176.4	0	0	0	0	0	114.9	R476 I477 D478	R476-G480 PolarHBondContact O-N 3.17Å; R476-G480 VanDerWaalsContact O-N 3.14Å; I477-G480 PolarHBondContact O-N 2.95Å; I477-G480 VanDerWaalsContact O-N 3.07Å; D478-G480 VanDerWaalsContact C-N 3.32Å
481	S	97	Very high	97.9	Very high	84 Å²	84	49 Å²	49	59%	0.587	25%	0.252	S	S	*	.	S	Bend	trans	-73.9	-31	173.4	57	0	0	0	0	112.4	R476 S479	R476-S481 WeakPolarHBondContact CA-OG 3.21Å; R476-S481 WeakPolarHBondContact CB-OG 3.36Å; R476-S481 PolarHBondContact O-N 3.02Å; R476-S481 PolarHBondContact O-OG 3.09Å; R476-S481 VanDerWaalsContact O-OG 3.09Å; S479-S481 PolarHBondContact OG-OG 3.06Å; S479-S481 VanDerWaalsContact OG-OG 3.13Å
482	E	98.2	Very high	97.8	Very high	43 Å²	43	52.7 Å²	52.7	20%	0.201	27%	0.271	C	S	.	.	S	Bend	trans	-100	117.9	164.5	-175.9	168.8	158.9	0	0	108.5	R473 R476 I477 N488	R473-E482 IonicContact CZ-OE1 3.71Å; R473-E482 IonicContact NE-OE1 2.78Å; R473-E482 PolarHBondContact NE-OE1 3.31Å; R473-E482 IonicContact NE-OE2 2.78Å; R473-E482 IonicContact NH2-OE1 3.91Å; R473-E482 PolarHBondContact NH2-OE1 2.8Å; R476-E482 HydrophobicContact CB-CB 3.79Å; R476-E482 IonicContact NE-OE2 2.78Å; R476-E482 PolarHBondContact NE-OE2 3.24Å; R476-E482 PolarHBondContact O-N 3.22Å; I477-E482 HydrophobicContact CG1-CB 4.14Å; I477-E482 HydrophobicContact CG1-CG 4.19Å; E482-N488 PolarHBondContact O-ND2 2.87Å
483	V	98.6	Very high	97.5	Very high	72 Å²	72	59.2 Å²	59.2	44%	0.436	31%	0.305	S	S	.	.			trans	-87.3	129.2	-176.6	174.9	0	0	0	0	110.6	V485 K489	V483-V485 HydrophobicContact CG1-CG2 4.42Å; V483-K489 HydrophobicContact CG1-CB 3.99Å; V483-K489 HydrophobicContact CG1-CD 4.08Å; V483-K489 HydrophobicContact CG2-CD 4.23Å
484	I	98.5	Very high	97.1	Very high	31 Å²	31	65 Å²	65	16%	0.159	33%	0.331	C	S	.	.			trans	-120.4	106.4	167.2	-55.1	-177.4	0	0	0	107.9	T357 I477 G486 V487 N488	T357-I484 HydrophobicContact CG2-CG2 3.55Å; I477-I484 HydrophobicContact CD1-CD1 3.86Å; I477-I484 HydrophobicContact CG1-CD1 3.92Å; I477-I484 HydrophobicContact CG2-CD1 3.8Å; I477-I484 HydrophobicContact CG2-CG1 4.44Å; I484-G486 PolarHBondContact O-N 3.07Å; I484-V487 HydrophobicContact CB-CB 4.06Å; I484-V487 HydrophobicContact CB-CG2 4.41Å; I484-V487 HydrophobicContact CG2-CB 3.79Å; I484-V487 HydrophobicContact CG2-CG2 3.58Å; I484-V487 PolarHBondContact O-N 2.8Å; I484-N488 PolarHBondContact N-OD1 2.96Å; I484-N488 PolarHBondContact O-N 2.86Å; I484-N488 VanDerWaalsContact O-N 3.09Å; I484-N488 PolarHBondContact O-OD1 3.19Å
485	V	98.6	Very high	96.6	Very high	62 Å²	62	66.9 Å²	66.9	38%	0.376	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-59.1	131.9	179.4	-179.6	0	0	0	0	110.3	R367 V483 V487 K489 Y490	R367-V485 PolarHBondContact NH2-O 2.85Å; V483-V485 HydrophobicContact CG1-CG2 4.42Å; V485-V487 PolarHBondContact O-N 3.33Å; V485-K489 WeakPolarHBondContact CA-O 3.49Å; V485-Y490 HydrophobicContact CG1-CD2 4.33Å; V485-Y490 HydrophobicContact CG2-CD2 4.32Å
486	G	96.7	Very high	96	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.01	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-18.1	-175.7	0	0	0	0	0	113.8	I484 K489	I484-G486 PolarHBondContact O-N 3.07Å; G486-K489 PolarHBondContact N-O 3.5Å
487	V	96.9	Very high	95.1	Very high	17 Å²	17	77.6 Å²	77.6	10%	0.103	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-62.3	-174.6	-177	0	0	0	0	112.4	T357 Q359 I484 V485 Q491	T357-V487 HydrophobicContact CG2-CG2 3.5Å; T357-V487 VanDerWaalsContact CG2-CG2 3.5Å; Q359-V487 HydrophobicContact CB-CG2 4.29Å; I484-V487 HydrophobicContact CB-CB 4.06Å; I484-V487 HydrophobicContact CB-CG2 4.41Å; I484-V487 HydrophobicContact CG2-CB 3.79Å; I484-V487 HydrophobicContact CG2-CG2 3.58Å; I484-V487 PolarHBondContact O-N 2.8Å; V485-V487 PolarHBondContact O-N 3.33Å; V487-Q491 VanDerWaalsContact O-CD 3.31Å; V487-Q491 VanDerWaalsContact O-CG 3.31Å; V487-Q491 WeakPolarHBondContact O-CG 3.47Å; V487-Q491 PolarHBondContact O-NE2 3.26Å
488	N	97.4	Very high	94.2	Very high	38 Å²	38	78.7 Å²	78.7	20%	0.203	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-8.9	179.6	71.2	2.1	0	0	0	113.1	I477 E482 I484	I477-N488 PolarHBondContact O-ND2 3.11Å; E482-N488 PolarHBondContact O-ND2 2.87Å; I484-N488 PolarHBondContact N-OD1 2.96Å; I484-N488 PolarHBondContact O-N 2.86Å; I484-N488 VanDerWaalsContact O-N 3.09Å; I484-N488 PolarHBondContact O-OD1 3.19Å
489	K	97.9	Very high	93.3	Very high	98 Å²	98	86.3 Å²	86.3	43%	0.426	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-149.6	143.3	176.6	-158.9	176.5	-178.5	-178.9	0	109.9	V483 V485 G486 Q491	V483-K489 HydrophobicContact CG1-CB 3.99Å; V483-K489 HydrophobicContact CG1-CD 4.08Å; V483-K489 HydrophobicContact CG2-CD 4.23Å; V485-K489 WeakPolarHBondContact CA-O 3.49Å; G486-K489 PolarHBondContact N-O 3.5Å; K489-Q491 VanDerWaalsContact C-N 3.32Å
490	Y	97.9	Very high	92.4	Very high	156 Å²	156	85 Å²	85	61%	0.612	44%	0.443	S	S	*	.	S	Bend	trans	59.4	41.9	-176	-43.2	-75.1	0	0	0	112.4	V485	V485-Y490 HydrophobicContact CG1-CD2 4.33Å; V485-Y490 HydrophobicContact CG2-CD2 4.32Å
491	Q	97	Very high	91.6	Very high	130 Å²	130	86.4 Å²	86.4	61%	0.607	44%	0.441	S	S	*	.			trans	-65.1	143.6	175	-66	171.6	11.5	0	0	110.2	V487 K489	V487-Q491 VanDerWaalsContact O-CD 3.31Å; V487-Q491 VanDerWaalsContact O-CG 3.31Å; V487-Q491 WeakPolarHBondContact O-CG 3.47Å; V487-Q491 PolarHBondContact O-NE2 3.26Å; K489-Q491 VanDerWaalsContact C-N 3.32Å
492	L	94.6	Very high	90.5	Very high	77 Å²	77	86.6 Å²	86.6	40%	0.403	45%	0.448	S	S	.	.			trans	-72.1	147.2	168.5	-64.1	176.1	0	0	0	109.5	D360 K494	D360-L492 HydrophobicContact CB-CD1 3.99Å; D360-L492 HydrophobicContact CB-CG 4.5Å; L492-K494 PolarHBondContact O-N 3.2Å
493	E	93.2	Very high	89.6	Confident	210 Å²	210	86.3 Å²	86.3	98%	0.981	45%	0.447	S	S	*	.	S	Bend	trans	-66.4	-30.2	173	-67.1	-176.3	173.8	0	0	111.6
494	K	89.9	Confident	88.9	Confident	177 Å²	177	87.6 Å²	87.6	77%	0.77	45%	0.452	S	S	*	.	S	Bend	trans	-146.9	128.9	177.8	-174.4	-177.8	177.8	-174.4	0	109.4	L492	L492-K494 PolarHBondContact O-N 3.2Å
495	E	88.3	Confident	88.3	Confident	73 Å²	73	86.8 Å²	86.8	34%	0.341	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-75.7	143.1	174.1	-62.4	-64.2	157.5	0	0	111.1	Q359 D360	Q359-E495 WeakPolarHBondContact CB-OE1 3.37Å; D360-E495 PolarHBondContact N-OE2 3.02Å
496	D	85.6	Confident	87.8	Confident	137 Å²	137	87.5 Å²	87.5	73%	0.733	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-78.9	147.6	169.6	-76.4	-29.3	0	0	0	110.5
497	S	78.4	Confident	87.4	Confident	124 Å²	124	89.6 Å²	89.6	87%	0.867	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-74.2	131.9	173	55.9	0	0	0	0	110.9
498	V	79.7	Confident	87.2	Confident	34 Å²	34	89.5 Å²	89.5	21%	0.206	47%	0.466	C	S	.	.			trans	-111	136.1	170.9	-178	0	0	0	0	108.7	P361 F388 L392 V500	P361-V498 HydrophobicContact CG-CG2 3.69Å; F388-V498 HydrophobicContact CE2-CG1 4.23Å; L392-V498 HydrophobicContact CD1-CB 4.01Å; L392-V498 HydrophobicContact CD1-CG1 4.31Å; V498-V500 PolarHBondContact O-N 2.86Å
499	E	79.6	Confident	86.9	Confident	165 Å²	165	89.4 Å²	89.4	77%	0.771	46%	0.463	S	S	*	.			trans	-68.3	119.7	174.9	-171.3	-179.6	-177.9	0	0	109.5
500	V	79.8	Confident	86.8	Confident	20 Å²	20	91 Å²	91	12%	0.121	47%	0.47	C	S	.	.			trans	-108.3	135.5	177.4	-175.6	0	0	0	0	108.7	L392 V498 A502	L392-V500 HydrophobicContact CB-CG1 4.46Å; L392-V500 HydrophobicContact CB-CG2 3.72Å; L392-V500 HydrophobicContact CD1-CG2 4.28Å; L392-V500 HydrophobicContact CG-CG2 4.48Å; L392-V500 WeakPolarHBondContact O-CG1 3.42Å; V498-V500 PolarHBondContact O-N 2.86Å; V500-A502 PolarHBondContact O-N 2.75Å; V500-A502 VanDerWaalsContact O-N 3.08Å
501	L	78.8	Confident	86.6	Confident	66 Å²	66	89 Å²	89	35%	0.346	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-66.6	109.5	177	-171.3	69.8	0	0	0	110.3	F111 L394	F111-L501 HydrophobicContact CD1-CD2 4.25Å; F111-L501 HydrophobicContact CE1-CD2 4.17Å; L394-L501 HydrophobicContact CB-CD2 4.14Å
502	A	75.3	Confident	86.6	Confident	88 Å²	88	83.2 Å²	83.2	73%	0.727	44%	0.437	S	S	*	.			trans	-85.9	130.7	172.5	0	0	0	0	0	110.5	V500	V500-A502 PolarHBondContact O-N 2.75Å; V500-A502 VanDerWaalsContact O-N 3.08Å
503	I	79.4	Confident	86.8	Confident	37 Å²	37	81.5 Å²	81.5	19%	0.19	43%	0.428	C	S	.	.			trans	-102.5	123.5	178.2	-63.2	168.1	0	0	0	109.7	S112 M157 L394 N505	S112-I503 WeakPolarHBondContact OG-CD1 3.24Å; S112-I503 WeakPolarHBondContact OG-CG1 3.18Å; S112-I503 WeakPolarHBondContact OG-CG2 3.39Å; M157-I503 HydrophobicContact CE-CB 4.18Å; M157-I503 VanDerWaalsContact O-CD1 3.23Å; M157-I503 WeakPolarHBondContact O-CD1 3.42Å; M157-I503 HydrophobicContact SD-CB 4.07Å; M157-I503 HydrophobicContact SD-CG2 3.75Å; L394-I503 HydrophobicContact CD1-CD1 3.52Å; L394-I503 HydrophobicContact CG-CD1 4.4Å; I503-N505 PolarHBondContact O-N 2.83Å; I503-N505 VanDerWaalsContact O-N 3.17Å
504	D	83.8	Confident	87	Confident	99 Å²	99	76.4 Å²	76.4	53%	0.529	40%	0.404	S	S	.	.			trans	-82.6	87.7	168.3	179.3	5.6	0	0	0	110.7	T506 S507 V508	D504-T506 PolarHBondContact O-N 3.46Å; D504-T506 WeakPolarHBondContact OD1-CB 3.29Å; D504-T506 PolarHBondContact OD1-N 3.3Å; D504-S507 PolarHBondContact O-N 2.85Å; D504-S507 PolarHBondContact OD1-N 3.01Å; D504-S507 VanDerWaalsContact OD2-CB 3.27Å; D504-S507 WeakPolarHBondContact OD2-CB 3.29Å; D504-V508 WeakPolarHBondContact O-CG2 3.08Å; D504-V508 PolarHBondContact O-N 3.08Å
505	N	86.2	Confident	87.3	Confident	13 Å²	13	70.6 Å²	70.6	7%	0.07	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-26.7	177.5	119	-62.1	0	0	0	113.2	R152 M157 I503 R509	R152-N505 PolarHBondContact O-ND2 3.33Å; M157-N505 HydrophobicContact CG-CB 4.27Å; M157-N505 HydrophobicContact SD-CB 3.35Å; M157-N505 WeakPolarHBondContact SD-CB 3.34Å; I503-N505 PolarHBondContact O-N 2.83Å; I503-N505 VanDerWaalsContact O-N 3.17Å; N505-R509 WeakPolarHBondContact O-CB 3.31Å; N505-R509 PolarHBondContact O-N 3.24Å
506	T	87.2	Confident	87.7	Confident	77 Å²	77	67.2 Å²	67.2	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-72.2	-43.4	-176.4	-68.1	0	0	0	0	110.5	D504 K510	D504-T506 PolarHBondContact O-N 3.46Å; D504-T506 WeakPolarHBondContact OD1-CB 3.29Å; D504-T506 PolarHBondContact OD1-N 3.3Å; T506-K510 WeakPolarHBondContact O-CB 3.42Å; T506-K510 PolarHBondContact O-N 2.9Å
507	S	89.4	Confident	88.3	Confident	45 Å²	45	67.5 Å²	67.5	32%	0.315	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-46.4	174.7	-178.3	0	0	0	0	111.9	D504 K510 K511	D504-S507 PolarHBondContact O-N 2.85Å; D504-S507 PolarHBondContact OD1-N 3.01Å; D504-S507 VanDerWaalsContact OD2-CB 3.27Å; D504-S507 WeakPolarHBondContact OD2-CB 3.29Å; S507-K510 PolarHBondContact O-N 3.48Å; S507-K511 WeakPolarHBondContact O-CG 3.26Å; S507-K511 PolarHBondContact O-N 3.39Å; S507-K511 VanDerWaalsContact O-N 3.1Å
508	V	91	Very high	89.3	Confident	15 Å²	15	68.8 Å²	68.8	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-52	179.1	179.4	0	0	0	0	110.8	T113 V155 D504 K510 K511 Q512	T113-V508 HydrophobicContact CG2-CG1 4.26Å; T113-V508 HydrophobicContact CG2-CG2 3.86Å; V155-V508 HydrophobicContact CG1-CG1 4.4Å; D504-V508 WeakPolarHBondContact O-CG2 3.08Å; D504-V508 PolarHBondContact O-N 3.08Å; V508-K510 VanDerWaalsContact C-N 3.33Å; V508-K510 PolarHBondContact O-N 2.95Å; V508-K511 PolarHBondContact O-N 3.26Å; V508-Q512 WeakPolarHBondContact O-CB 3.41Å; V508-Q512 PolarHBondContact O-N 3.38Å
509	R	92.9	Very high	90.1	Very high	36 Å²	36	68.5 Å²	68.5	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-58.5	-43.3	179.3	-170.8	179.9	73.7	-118.2	-7.2	112	R152 V155 N505 Q512 I513	R152-R509 PolarHBondContact O-NH1 3.3Å; V155-R509 HydrophobicContact CB-CB 4.26Å; V155-R509 HydrophobicContact CB-CG 4.31Å; V155-R509 HydrophobicContact CG1-CB 4.18Å; V155-R509 HydrophobicContact CG1-CG 4.39Å; V155-R509 HydrophobicContact CG2-CG 4.24Å; N505-R509 WeakPolarHBondContact O-CB 3.31Å; N505-R509 PolarHBondContact O-N 3.24Å; R509-Q512 PolarHBondContact O-N 2.86Å; R509-I513 HydrophobicContact CG-CD1 3.79Å; R509-I513 HydrophobicContact CG-CG1 4.34Å; R509-I513 WeakPolarHBondContact O-CB 3.28Å; R509-I513 VanDerWaalsContact O-CG1 3.25Å; R509-I513 WeakPolarHBondContact O-CG1 3.49Å; R509-I513 PolarHBondContact O-N 3.39Å
510	K	94.4	Very high	91	Very high	132 Å²	132	63.6 Å²	63.6	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-60.5	-50.1	179.1	-178	178.6	174.4	-176.6	0	111.6	T506 S507 V508 Q512 I513 E514	T506-K510 WeakPolarHBondContact O-CB 3.42Å; T506-K510 PolarHBondContact O-N 2.9Å; S507-K510 PolarHBondContact O-N 3.48Å; V508-K510 VanDerWaalsContact C-N 3.33Å; V508-K510 PolarHBondContact O-N 2.95Å; K510-Q512 VanDerWaalsContact C-N 3.27Å; K510-Q512 PolarHBondContact O-N 2.87Å; K510-I513 PolarHBondContact O-N 3.47Å; K510-E514 WeakPolarHBondContact CE-OE1 3.41Å; K510-E514 WeakPolarHBondContact O-CG 3.37Å; K510-E514 PolarHBondContact O-N 3.25Å
511	K	94.9	Very high	91.8	Very high	113 Å²	113	67.3 Å²	67.3	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-41.6	177.9	-71.6	174.4	-178.2	175.3	0	111.4	S507 V508 E514 K515	S507-K511 WeakPolarHBondContact O-CG 3.26Å; S507-K511 PolarHBondContact O-N 3.39Å; S507-K511 VanDerWaalsContact O-N 3.1Å; V508-K511 PolarHBondContact O-N 3.26Å; K511-E514 PolarHBondContact O-N 3.13Å; K511-K515 WeakPolarHBondContact O-CG 3.36Å; K511-K515 PolarHBondContact O-N 3.47Å
512	Q	96.8	Very high	92.7	Very high	9 Å²	9	68.3 Å²	68.3	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-68.3	-43.2	-177.7	-163.4	57.4	26.5	0	0	112	S146 A161 D163 D167 V508 R509 K510 E514 K515 L516	S146-Q512 VanDerWaalsContact CB-CG 3.47Å; S146-Q512 WeakPolarHBondContact OG-CG 3.49Å; A161-Q512 HydrophobicContact CB-CG 4.2Å; D163-Q512 WeakPolarHBondContact OD2-CG 3.37Å; D163-Q512 PolarHBondContact OD2-NE2 3.14Å; D167-Q512 VanDerWaalsContact CG-NE2 3.33Å; D167-Q512 PolarHBondContact OD1-NE2 2.95Å; D167-Q512 PolarHBondContact OD2-NE2 3.26Å; V508-Q512 WeakPolarHBondContact O-CB 3.41Å; V508-Q512 PolarHBondContact O-N 3.38Å; R509-Q512 PolarHBondContact O-N 2.86Å; K510-Q512 VanDerWaalsContact C-N 3.27Å; K510-Q512 PolarHBondContact O-N 2.87Å; Q512-E514 VanDerWaalsContact C-N 3.32Å; Q512-E514 PolarHBondContact O-N 2.99Å; Q512-K515 WeakPolarHBondContact O-CB 3.41Å; Q512-K515 PolarHBondContact O-N 3.25Å; Q512-L516 WeakPolarHBondContact O-CB 3.34Å; Q512-L516 PolarHBondContact O-N 2.98Å
513	I	97.6	Very high	93.8	Very high	41 Å²	41	65.5 Å²	65.5	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-39.4	172.6	-67.8	171.9	0	0	0	111.6	D147 R509 K510 L516 K517	D147-I513 HydrophobicContact CB-CD1 4.44Å; D147-I513 HydrophobicContact CB-CG1 3.97Å; R509-I513 HydrophobicContact CG-CD1 3.79Å; R509-I513 HydrophobicContact CG-CG1 4.34Å; R509-I513 WeakPolarHBondContact O-CB 3.28Å; R509-I513 VanDerWaalsContact O-CG1 3.25Å; R509-I513 WeakPolarHBondContact O-CG1 3.49Å; R509-I513 PolarHBondContact O-N 3.39Å; K510-I513 PolarHBondContact O-N 3.47Å; I513-L516 PolarHBondContact O-N 3.11Å; I513-K517 HydrophobicContact CG2-CD 4.23Å; I513-K517 WeakPolarHBondContact O-CG 3.36Å; I513-K517 PolarHBondContact O-N 2.78Å
514	E	97.4	Very high	94.7	Very high	104 Å²	104	68.2 Å²	68.2	49%	0.486	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-43.2	176.5	-74.2	171.3	-173.7	0	0	112	K510 K511 Q512 K517 K518	K510-E514 WeakPolarHBondContact CE-OE1 3.41Å; K510-E514 WeakPolarHBondContact O-CG 3.37Å; K510-E514 PolarHBondContact O-N 3.25Å; K511-E514 PolarHBondContact O-N 3.13Å; Q512-E514 VanDerWaalsContact C-N 3.32Å; Q512-E514 PolarHBondContact O-N 2.99Å; E514-K517 PolarHBondContact O-N 3.1Å; E514-K518 PolarHBondContact O-N 3.1Å; E514-K518 VanDerWaalsContact O-N 3.17Å
515	K	96.8	Very high	95.4	Very high	54 Å²	54	68.1 Å²	68.1	24%	0.235	34%	0.342	C	S	.	.	H	α-helix	trans	-57.5	-50.8	171.7	-72.6	176.6	179.6	-179.7	0	110.6	E115 K511 Q512 K517 K518 I519	E115-K515 IonicContact OE1-NZ 3.51Å; E115-K515 PolarHBondContact OE1-NZ 2.94Å; E115-K515 IonicContact OE2-NZ 3.47Å; K511-K515 WeakPolarHBondContact O-CG 3.36Å; K511-K515 PolarHBondContact O-N 3.47Å; Q512-K515 WeakPolarHBondContact O-CB 3.41Å; Q512-K515 PolarHBondContact O-N 3.25Å; K515-K517 PolarHBondContact O-N 3.26Å; K515-K518 WeakPolarHBondContact O-CB 3.45Å; K515-K518 PolarHBondContact O-N 3.47Å; K515-K518 VanDerWaalsContact O-N 3.09Å; K515-I519 WeakPolarHBondContact O-CG1 3.35Å; K515-I519 PolarHBondContact O-N 2.89Å
516	L	97.5	Very high	96	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.016	37%	0.371	C	S	.	.	H	α-helix	trans	-58.7	-44.4	-178.3	-171.1	60.6	0	0	0	112.6	D145 D147 D163 T164 Q512 I513 K518 I519 K520 T559	D145-L516 HydrophobicContact CB-CD2 4.03Å; D147-L516 HydrophobicContact CB-CD2 3.97Å; D147-L516 WeakPolarHBondContact OD2-CD2 3.39Å; D163-L516 HydrophobicContact CB-CD1 4.05Å; T164-L516 HydrophobicContact CG2-CD1 4.19Å; Q512-L516 WeakPolarHBondContact O-CB 3.34Å; Q512-L516 PolarHBondContact O-N 2.98Å; I513-L516 PolarHBondContact O-N 3.11Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.37Å; L516-I519 PolarHBondContact O-N 3.46Å; L516-K520 HydrophobicContact CD1-CD 4.38Å; L516-K520 HydrophobicContact CD1-CG 4.44Å; L516-K520 HydrophobicContact CG-CD 4.22Å; L516-K520 WeakPolarHBondContact O-CB 3.08Å; L516-K520 WeakPolarHBondContact O-CG 3.26Å; L516-K520 PolarHBondContact O-N 3.39Å; L516-T559 HydrophobicContact CD1-CG2 3.57Å
517	K	98.1	Very high	96.5	Very high	143 Å²	143	71.9 Å²	71.9	62%	0.622	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-42.5	175.1	-76.5	175	-179.5	178.1	0	112.2	I513 E514 K515 S521	I513-K517 HydrophobicContact CG2-CD 4.23Å; I513-K517 WeakPolarHBondContact O-CG 3.36Å; I513-K517 PolarHBondContact O-N 2.78Å; E514-K517 PolarHBondContact O-N 3.1Å; K515-K517 PolarHBondContact O-N 3.26Å; K517-S521 WeakPolarHBondContact O-CB 3.31Å; K517-S521 PolarHBondContact O-N 3.44Å; K517-S521 VanDerWaalsContact O-N 3.1Å; K517-S521 PolarHBondContact O-OG 2.89Å
518	K	98.2	Very high	96.9	Very high	151 Å²	151	69.8 Å²	69.8	66%	0.657	35%	0.348	S	S	*	.	H	α-helix	trans	-67.1	-39.4	178.5	-170.1	-180	180	-176.4	0	112.1	E514 K515 L516 S521 S522	E514-K518 PolarHBondContact O-N 3.1Å; E514-K518 VanDerWaalsContact O-N 3.17Å; K515-K518 WeakPolarHBondContact O-CB 3.45Å; K515-K518 PolarHBondContact O-N 3.47Å; K515-K518 VanDerWaalsContact O-N 3.09Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.37Å; K518-S521 PolarHBondContact O-OG 3.46Å; K518-S521 VanDerWaalsContact O-OG 3.09Å; K518-S522 WeakPolarHBondContact O-CB 3.47Å; K518-S522 PolarHBondContact O-N 2.87Å; K518-S522 PolarHBondContact O-OG 3.29Å
519	I	97.8	Very high	97.3	Very high	27 Å²	27	72.8 Å²	72.8	14%	0.138	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-47.8	177.3	-62.9	-49.4	0	0	0	111.3	T164 E166 K515 L516 S521 S522 R523 R557	T164-I519 HydrophobicContact CG2-CG2 4.16Å; E166-I519 HydrophobicContact CB-CD1 4.33Å; E166-I519 HydrophobicContact CG-CD1 3.66Å; E166-I519 HydrophobicContact CG-CG1 4.22Å; K515-I519 WeakPolarHBondContact O-CG1 3.35Å; K515-I519 PolarHBondContact O-N 2.89Å; L516-I519 PolarHBondContact O-N 3.46Å; I519-S521 PolarHBondContact O-N 2.73Å; I519-S522 PolarHBondContact O-N 3.1Å; I519-S522 PolarHBondContact O-OG 3.4Å; I519-R523 PolarHBondContact O-N 3.46Å; I519-R523 VanDerWaalsContact O-N 3.07Å; I519-R557 HydrophobicContact CG2-CB 3.83Å; I519-R557 HydrophobicContact CG2-CG 4.02Å
520	K	97.1	Very high	97.6	Very high	62 Å²	62	78.6 Å²	78.6	27%	0.27	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-32.2	177.8	-73.1	-178.5	177.2	171.5	0	112.4	D145 D147 L516	D145-K520 IonicContact OD2-NZ 3.91Å; D145-K520 PolarHBondContact OD2-NZ 2.99Å; D147-K520 IonicContact OD2-NZ 3.32Å; L516-K520 HydrophobicContact CD1-CD 4.38Å; L516-K520 HydrophobicContact CD1-CG 4.44Å; L516-K520 HydrophobicContact CG-CD 4.22Å; L516-K520 WeakPolarHBondContact O-CB 3.08Å; L516-K520 WeakPolarHBondContact O-CG 3.26Å; L516-K520 PolarHBondContact O-N 3.39Å
521	S	97.8	Very high	97.8	Very high	99 Å²	99	73 Å²	73	69%	0.692	36%	0.36	S	S	*	.	H	α-helix	trans	-82.3	-21.5	178.2	69.3	0	0	0	0	115	K517 K518 I519	K517-S521 WeakPolarHBondContact O-CB 3.31Å; K517-S521 PolarHBondContact O-N 3.44Å; K517-S521 VanDerWaalsContact O-N 3.1Å; K517-S521 PolarHBondContact O-OG 2.89Å; K518-S521 PolarHBondContact O-OG 3.46Å; K518-S521 VanDerWaalsContact O-OG 3.09Å; I519-S521 PolarHBondContact O-N 2.73Å
522	S	97.2	Very high	97.9	Very high	86 Å²	86	68.3 Å²	68.3	60%	0.601	34%	0.341	S	S	*	.	H	α-helix	trans	-104	-15.6	-174.5	56.9	0	0	0	0	114.6	K518 I519	K518-S522 WeakPolarHBondContact O-CB 3.47Å; K518-S522 PolarHBondContact O-N 2.87Å; K518-S522 PolarHBondContact O-OG 3.29Å; I519-S522 PolarHBondContact O-N 3.1Å; I519-S522 PolarHBondContact O-OG 3.4Å
523	R	98.1	Very high	98	Very high	29 Å²	29	72.9 Å²	72.9	11%	0.109	36%	0.362	C	S	.	.	S	Bend	trans	-74.6	161	178.5	71.6	-179.1	-177.2	-172.8	1.5	112.5	I519 Q525 R557 E562	I519-R523 PolarHBondContact O-N 3.46Å; I519-R523 VanDerWaalsContact O-N 3.07Å; R523-Q525 VanDerWaalsContact NH2-OE1 3.12Å; R523-Q525 PolarHBondContact O-N 2.68Å; R523-Q525 VanDerWaalsContact O-N 3.16Å; R523-R557 HydrophobicContact CB-CB 4.01Å; R523-R557 WeakPolarHBondContact CD-O 3.21Å; R523-R557 PolarHBondContact NH1-O 3.1Å; R523-E562 IonicContact CZ-OE1 3.2Å; R523-E562 IonicContact CZ-OE2 2.69Å; R523-E562 IonicContact NH1-OE1 2.72Å; R523-E562 PolarHBondContact NH1-OE1 3.19Å; R523-E562 IonicContact NH1-OE2 2.76Å; R523-E562 PolarHBondContact NH1-OE2 2.8Å; R523-E562 IonicContact NH2-OE1 3.21Å; R523-E562 PolarHBondContact NH2-OE1 2.85Å; R523-E562 IonicContact NH2-OE2 2.79Å; R523-E562 PolarHBondContact NH2-OE2 2.95Å
524	D	98.3	Very high	98.1	Very high	95 Å²	95	72.7 Å²	72.7	51%	0.508	37%	0.367	S	S	.	.			trans	-71.8	105.1	165.5	-178.2	-19.9	0	0	0	109.5	V526 L527 A528	D524-V526 VanDerWaalsContact C-N 3.33Å; D524-V526 PolarHBondContact O-N 3.25Å; D524-V526 PolarHBondContact OD1-N 2.8Å; D524-L527 HydrophobicContact CB-CB 3.93Å; D524-L527 PolarHBondContact O-N 3.08Å; D524-L527 PolarHBondContact OD1-N 3.45Å; D524-A528 WeakPolarHBondContact O-CB 3.49Å; D524-A528 PolarHBondContact O-N 2.78Å
525	Q	98.1	Very high	98.1	Very high	96 Å²	96	67.8 Å²	67.8	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-69.1	-29.8	-176.2	-170.7	57.9	31.2	0	0	113	R523 Q529	R523-Q525 VanDerWaalsContact NH2-OE1 3.12Å; R523-Q525 PolarHBondContact O-N 2.68Å; R523-Q525 VanDerWaalsContact O-N 3.16Å; Q525-Q529 WeakPolarHBondContact O-CB 3.12Å; Q525-Q529 PolarHBondContact O-N 2.93Å
526	V	98.4	Very high	98.2	Very high	112 Å²	112	66.4 Å²	66.4	68%	0.679	34%	0.34	S	S	*	.	H	α-helix	trans	-72.6	-43.2	179	176.9	0	0	0	0	109.7	D524 Q529 R530	D524-V526 VanDerWaalsContact C-N 3.33Å; D524-V526 PolarHBondContact O-N 3.25Å; D524-V526 PolarHBondContact OD1-N 2.8Å; V526-Q529 PolarHBondContact O-N 2.81Å; V526-R530 WeakPolarHBondContact O-CB 3.43Å; V526-R530 PolarHBondContact O-N 3.41Å
527	L	98.5	Very high	98.3	Very high	58 Å²	58	71.8 Å²	71.8	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-46.8	175.4	-179.6	61.7	0	0	0	111.4	D524 Q529 R530 S531 A556	D524-L527 HydrophobicContact CB-CB 3.93Å; D524-L527 PolarHBondContact O-N 3.08Å; D524-L527 PolarHBondContact OD1-N 3.45Å; L527-Q529 PolarHBondContact O-N 3.41Å; L527-R530 PolarHBondContact O-N 2.93Å; L527-S531 PolarHBondContact O-N 3.48Å; L527-S531 PolarHBondContact O-OG 2.94Å; L527-A556 HydrophobicContact CD2-CB 4.01Å; L527-A556 HydrophobicContact CG-CB 3.81Å
528	A	98.6	Very high	98.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-49.4	178	0	0	0	0	0	111.6	D524 R530 S531 L532 C558	D524-A528 WeakPolarHBondContact O-CB 3.49Å; D524-A528 PolarHBondContact O-N 2.78Å; A528-R530 PolarHBondContact O-N 3.21Å; A528-S531 PolarHBondContact O-N 3.45Å; A528-L532 WeakPolarHBondContact O-CG 3.38Å; A528-L532 PolarHBondContact O-N 3.25Å; A528-L532 VanDerWaalsContact O-N 3.09Å; A528-C558 PolarHBondContact O-SG 3.19Å
529	Q	98.6	Very high	98.3	Very high	78 Å²	78	58.7 Å²	58.7	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-45	179.2	-177.3	60.3	30.4	0	0	112.1	Q525 V526 L527 S531 L532 E533	Q525-Q529 WeakPolarHBondContact O-CB 3.12Å; Q525-Q529 PolarHBondContact O-N 2.93Å; V526-Q529 PolarHBondContact O-N 2.81Å; L527-Q529 PolarHBondContact O-N 3.41Å; Q529-S531 PolarHBondContact O-N 3.38Å; Q529-L532 PolarHBondContact O-N 3Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.36Å; Q529-E533 PolarHBondContact NE2-OE1 2.78Å; Q529-E533 WeakPolarHBondContact O-CG 3.11Å; Q529-E533 PolarHBondContact O-N 3.32Å
530	R	98.6	Very high	98.3	Very high	158 Å²	158	60 Å²	60	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-62.6	-40.3	178.2	-174.7	178.1	66.1	-172.5	0.8	112.4	V526 L527 A528 E533 A534	V526-R530 WeakPolarHBondContact O-CB 3.43Å; V526-R530 PolarHBondContact O-N 3.41Å; L527-R530 PolarHBondContact O-N 2.93Å; A528-R530 PolarHBondContact O-N 3.21Å; R530-E533 PolarHBondContact O-N 3.05Å; R530-A534 PolarHBondContact O-N 3.3Å
531	S	98.7	Very high	98.3	Very high	14 Å²	14	60 Å²	60	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-38.9	177.3	-63.3	0	0	0	0	112	L527 A528 Q529 A534 L535	L527-S531 PolarHBondContact O-N 3.48Å; L527-S531 PolarHBondContact O-OG 2.94Å; A528-S531 PolarHBondContact O-N 3.45Å; Q529-S531 PolarHBondContact O-N 3.38Å; S531-A534 PolarHBondContact O-N 3.03Å; S531-L535 PolarHBondContact O-N 3.46Å; S531-L535 VanDerWaalsContact O-N 3.14Å
532	L	98.8	Very high	98.2	Very high	16 Å²	16	57.2 Å²	57.2	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-39.6	175.4	-64.4	172.3	0	0	0	112.2	A528 Q529 A534 L535 T536 C558 E562 I563 A566	A528-L532 WeakPolarHBondContact O-CG 3.38Å; A528-L532 PolarHBondContact O-N 3.25Å; A528-L532 VanDerWaalsContact O-N 3.09Å; Q529-L532 PolarHBondContact O-N 3Å; L532-A534 VanDerWaalsContact C-N 3.34Å; L532-L535 HydrophobicContact CD2-CD1 4.44Å; L532-L535 WeakPolarHBondContact O-CB 3.32Å; L532-L535 PolarHBondContact O-N 2.93Å; L532-T536 PolarHBondContact O-N 2.77Å; L532-T536 PolarHBondContact O-OG1 2.95Å; L532-C558 HydrophobicContact CD2-CB 3.99Å; L532-C558 HydrophobicContact CG-CB 4.45Å; L532-E562 HydrophobicContact CD1-CB 3.86Å; L532-E562 HydrophobicContact CD1-CG 4.33Å; L532-E562 HydrophobicContact CD2-CB 3.95Å; L532-I563 HydrophobicContact CD2-CG1 4.11Å; L532-A566 HydrophobicContact CB-CB 4.32Å; L532-A566 HydrophobicContact CD2-CB 4.17Å
533	E	98.7	Very high	98.1	Very high	105 Å²	105	59 Å²	59	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-40	174.9	-75	167.7	-172.6	0	0	111.9	Q529 R530 L535 T536 Q537	Q529-E533 WeakPolarHBondContact CG-OE1 3.36Å; Q529-E533 PolarHBondContact NE2-OE1 2.78Å; Q529-E533 WeakPolarHBondContact O-CG 3.11Å; Q529-E533 PolarHBondContact O-N 3.32Å; R530-E533 PolarHBondContact O-N 3.05Å; E533-L535 VanDerWaalsContact C-N 3.34Å; E533-L535 PolarHBondContact O-N 3.16Å; E533-T536 PolarHBondContact O-N 3.33Å; E533-Q537 WeakPolarHBondContact O-CB 3.48Å; E533-Q537 PolarHBondContact O-N 3.4Å
534	A	98.7	Very high	98	Very high	37 Å²	37	60.2 Å²	60.2	31%	0.306	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-40.3	174.4	0	0	0	0	0	112.1	R530 S531 L532 Q537 C538 L549	R530-A534 PolarHBondContact O-N 3.3Å; S531-A534 PolarHBondContact O-N 3.03Å; L532-A534 VanDerWaalsContact C-N 3.34Å; A534-Q537 PolarHBondContact O-N 3.43Å; A534-C538 WeakPolarHBondContact O-CB 3.3Å; A534-C538 PolarHBondContact O-N 3.33Å; A534-L549 HydrophobicContact CB-CD2 4.25Å
535	L	98.4	Very high	98	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-47.7	173.3	-82.7	165.6	0	0	0	112.1	S531 L532 E533 Q537 C538 A539 I546 L549 A550 A553 I563 A566 L567	S531-L535 PolarHBondContact O-N 3.46Å; S531-L535 VanDerWaalsContact O-N 3.14Å; L532-L535 HydrophobicContact CD2-CD1 4.44Å; L532-L535 WeakPolarHBondContact O-CB 3.32Å; L532-L535 PolarHBondContact O-N 2.93Å; E533-L535 VanDerWaalsContact C-N 3.34Å; E533-L535 PolarHBondContact O-N 3.16Å; L535-Q537 VanDerWaalsContact C-N 3.32Å; L535-Q537 PolarHBondContact O-N 3.43Å; L535-C538 PolarHBondContact O-N 3.02Å; L535-A539 WeakPolarHBondContact O-CB 3.25Å; L535-A539 PolarHBondContact O-N 3.05Å; L535-I546 HydrophobicContact CD2-CG2 4.24Å; L535-L549 HydrophobicContact CD2-CB 3.67Å; L535-L549 HydrophobicContact CG-CB 3.99Å; L535-A550 HydrophobicContact CD2-CB 4.22Å; L535-A553 HydrophobicContact CD1-CB 3.79Å; L535-I563 HydrophobicContact CD1-CB 4.47Å; L535-I563 HydrophobicContact CD1-CG1 4.23Å; L535-I563 HydrophobicContact CD1-CG2 4.02Å; L535-A566 HydrophobicContact CB-CB 4.27Å; L535-L567 HydrophobicContact CD2-CD2 4.46Å
536	T	98.8	Very high	98.1	Very high	26 Å²	26	52.1 Å²	52.1	16%	0.16	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-42.3	176.1	-62.2	0	0	0	0	111.3	L532 E533 A539 A540 A566 K569 I570	L532-T536 PolarHBondContact O-N 2.77Å; L532-T536 PolarHBondContact O-OG1 2.95Å; E533-T536 PolarHBondContact O-N 3.33Å; T536-A539 PolarHBondContact O-N 3.15Å; T536-A540 WeakPolarHBondContact O-CB 3.37Å; T536-A540 PolarHBondContact O-N 2.85Å; T536-A566 PolarHBondContact OG1-O 3.32Å; T536-K569 HydrophobicContact CG2-CB 4.3Å; T536-K569 HydrophobicContact CG2-CD 4.24Å; T536-I570 HydrophobicContact CG2-CD1 4.11Å; T536-I570 HydrophobicContact CG2-CG1 4.01Å
537	Q	98.6	Very high	98.1	Very high	116 Å²	116	46.8 Å²	46.8	54%	0.542	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-42.2	178.5	-173.9	65	17.3	0	0	112.1	E533 A534 L535 A540 T541	E533-Q537 WeakPolarHBondContact O-CB 3.48Å; E533-Q537 PolarHBondContact O-N 3.4Å; A534-Q537 PolarHBondContact O-N 3.43Å; L535-Q537 VanDerWaalsContact C-N 3.32Å; L535-Q537 PolarHBondContact O-N 3.43Å; Q537-A540 PolarHBondContact O-N 2.73Å; Q537-T541 HydrophobicContact CG-CG2 4.32Å; Q537-T541 WeakPolarHBondContact O-CB 3.3Å; Q537-T541 WeakPolarHBondContact O-CG2 3.42Å; Q537-T541 PolarHBondContact O-N 2.95Å; Q537-T541 PolarHBondContact O-OG1 2.88Å
538	C	98.6	Very high	98.1	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-44.3	175.7	-179.3	0	0	0	0	111.3	A534 L535 A540 T541 G542 D543 L549	A534-C538 WeakPolarHBondContact O-CB 3.3Å; A534-C538 PolarHBondContact O-N 3.33Å; L535-C538 PolarHBondContact O-N 3.02Å; C538-A540 VanDerWaalsContact C-N 3.29Å; C538-A540 PolarHBondContact O-N 2.92Å; C538-T541 PolarHBondContact O-N 3.46Å; C538-G542 WeakPolarHBondContact O-CA 3.07Å; C538-G542 PolarHBondContact O-N 3.46Å; C538-D543 PolarHBondContact SG-O 2.94Å; C538-L549 HydrophobicContact CB-CD1 3.32Å
539	A	98.3	Very high	98.1	Very high	13 Å²	13	47.5 Å²	47.5	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-37.7	175.2	0	0	0	0	0	112.6	L535 T536 L567 I570 F571	L535-A539 WeakPolarHBondContact O-CB 3.25Å; L535-A539 PolarHBondContact O-N 3.05Å; T536-A539 PolarHBondContact O-N 3.15Å; A539-L567 HydrophobicContact CB-CD2 3.89Å; A539-I570 HydrophobicContact CB-CB 4.05Å; A539-I570 HydrophobicContact CB-CG1 4.04Å; A539-I570 HydrophobicContact CB-CG2 4.35Å; A539-F571 HydrophobicContact CB-CE1 3.9Å; A539-F571 HydrophobicContact CB-CE2 4.08Å; A539-F571 HydrophobicContact CB-CZ 3.59Å
540	A	98.1	Very high	98.1	Very high	56 Å²	56	43.8 Å²	43.8	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-75.1	-40.4	-179.6	0	0	0	0	0	113.7	T536 Q537 C538 I570	T536-A540 WeakPolarHBondContact O-CB 3.37Å; T536-A540 PolarHBondContact O-N 2.85Å; Q537-A540 PolarHBondContact O-N 2.73Å; C538-A540 VanDerWaalsContact C-N 3.29Å; C538-A540 PolarHBondContact O-N 2.92Å; A540-I570 HydrophobicContact CB-CD1 3.79Å; A540-I570 HydrophobicContact CB-CG1 4.02Å; A540-I570 HydrophobicContact CB-CG2 4.46Å
541	T	97.6	Very high	98.1	Very high	62 Å²	62	36.5 Å²	36.5	38%	0.38	23%	0.234	S	C	.	.	H	α-helix	trans	-93.4	-26.8	-172.8	54.9	0	0	0	0	113.3	Q537 C538 D543	Q537-T541 HydrophobicContact CG-CG2 4.32Å; Q537-T541 WeakPolarHBondContact O-CB 3.3Å; Q537-T541 WeakPolarHBondContact O-CG2 3.42Å; Q537-T541 PolarHBondContact O-N 2.95Å; Q537-T541 PolarHBondContact O-OG1 2.88Å; C538-T541 PolarHBondContact O-N 3.46Å; T541-D543 PolarHBondContact O-N 3.44Å; T541-D543 PolarHBondContact OG1-N 2.83Å
542	G	94.4	Very high	98.1	Very high	40 Å²	40	39.6 Å²	39.6	41%	0.412	25%	0.249	S	C	.	.			trans	77.9	-3.1	-167.6	0	0	0	0	0	114	C538	C538-G542 WeakPolarHBondContact O-CA 3.07Å; C538-G542 PolarHBondContact O-N 3.46Å
543	D	95.8	Very high	98.1	Very high	124 Å²	124	38.8 Å²	38.8	66%	0.663	25%	0.245	S	C	*	.			trans	-84.4	127.1	179.8	-68.9	-36.1	0	0	0	110.9	C538 T541	C538-D543 PolarHBondContact SG-O 2.94Å; T541-D543 PolarHBondContact O-N 3.44Å; T541-D543 PolarHBondContact OG1-N 2.83Å
544	G	96.4	Very high	98.1	Very high	54 Å²	54	33.8 Å²	33.8	56%	0.557	22%	0.222	S	C	*	.	S	Bend	trans	98.5	-172	-175.8	0	0	0	0	0	113.1
545	N	98.3	Very high	98.1	Very high	19 Å²	19	36.7 Å²	36.7	10%	0.102	23%	0.225	C	C	.	.			trans	-123.9	123.3	-179.7	-178.8	-77.7	0	0	0	109.4	D242 Q245 L547 A548 L549	D242-N545 PolarHBondContact O-ND2 3.23Å; Q245-N545 PolarHBondContact OE1-ND2 3.29Å; Q245-N545 VanDerWaalsContact OE1-ND2 3.11Å; N545-L547 VanDerWaalsContact C-N 3.33Å; N545-L547 PolarHBondContact O-N 3.2Å; N545-L547 PolarHBondContact OD1-N 3.33Å; N545-L547 VanDerWaalsContact OD1-N 3.1Å; N545-A548 HydrophobicContact CB-CB 4.02Å; N545-A548 PolarHBondContact O-N 2.79Å; N545-A548 PolarHBondContact OD1-N 2.93Å; N545-L549 PolarHBondContact O-N 3.36Å
546	I	98.7	Very high	98.1	Very high	2 Å²	2	37 Å²	37	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-41.4	-174.1	-66.8	168.1	0	0	0	111.6	I191 I239 D242 L535 L549 A550 L567 F571	I191-I546 HydrophobicContact CD1-CB 4.45Å; I191-I546 HydrophobicContact CD1-CG2 3.83Å; I191-I546 HydrophobicContact CG1-CG2 3.93Å; I191-I546 HydrophobicContact CG2-CG2 3.99Å; I239-I546 HydrophobicContact CG1-CD1 4.12Å; D242-I546 HydrophobicContact CB-CB 4.46Å; D242-I546 VanDerWaalsContact OD2-CG1 3.32Å; D242-I546 WeakPolarHBondContact OD2-CG1 3.25Å; D242-I546 PolarHBondContact OD2-N 2.76Å; L535-I546 HydrophobicContact CD2-CG2 4.24Å; I546-L549 PolarHBondContact O-N 3.42Å; I546-A550 WeakPolarHBondContact O-CB 3.44Å; I546-A550 PolarHBondContact O-N 3.13Å; I546-L567 HydrophobicContact CG2-CD1 4.05Å; I546-L567 HydrophobicContact CG2-CD2 4.06Å; I546-F571 HydrophobicContact CD1-CE2 4.24Å; I546-F571 HydrophobicContact CD1-CZ 4.16Å
547	L	98.8	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-40.5	-179.7	179.7	60.1	0	0	0	111.7	I191 L194 A195 I198 I243 Y246 N545 L549 A550 V551	I191-L547 HydrophobicContact CD1-CB 4.03Å; I191-L547 HydrophobicContact CD1-CD1 4.35Å; L194-L547 HydrophobicContact CB-CD1 4.07Å; L194-L547 HydrophobicContact CD2-CD1 4.09Å; L194-L547 HydrophobicContact CD2-CD2 3.56Å; L194-L547 HydrophobicContact CG-CD1 4.07Å; L194-L547 HydrophobicContact CG-CD2 4.2Å; A195-L547 HydrophobicContact CB-CD1 4.46Å; I198-L547 HydrophobicContact CD1-CD1 4.42Å; I198-L547 HydrophobicContact CD1-CD2 4.41Å; I243-L547 HydrophobicContact CG1-CB 4.49Å; I243-L547 HydrophobicContact CG1-CD2 4.2Å; I243-L547 HydrophobicContact CG2-CD2 4.49Å; Y246-L547 HydrophobicContact CD1-CD2 3.41Å; Y246-L547 VanDerWaalsContact CD1-CD2 3.41Å; Y246-L547 HydrophobicContact CD1-CG 4.02Å; Y246-L547 HydrophobicContact CE1-CD2 4.07Å; Y246-L547 HydrophobicContact CE1-CG 4.4Å; Y246-L547 HydrophobicContact CG-CB 4.39Å; Y246-L547 HydrophobicContact CG-CD2 3.78Å; Y246-L547 HydrophobicContact CG-CG 4.13Å; N545-L547 VanDerWaalsContact C-N 3.33Å; N545-L547 PolarHBondContact O-N 3.2Å; N545-L547 PolarHBondContact OD1-N 3.33Å; N545-L547 VanDerWaalsContact OD1-N 3.1Å; L547-L549 PolarHBondContact O-N 2.92Å; L547-A550 PolarHBondContact O-N 2.76Å; L547-V551 WeakPolarHBondContact O-CG2 3.32Å; L547-V551 PolarHBondContact O-N 2.83Å
548	A	98.8	Very high	98.2	Very high	32 Å²	32	32.6 Å²	32.6	26%	0.264	20%	0.203	S	C	.	.	H	α-helix	trans	-58.7	-47.3	177	0	0	0	0	0	111.5	Y246 N545 A550 V551 D552	Y246-A548 HydrophobicContact CD2-CB 3.91Å; Y246-A548 HydrophobicContact CE2-CB 3.88Å; N545-A548 HydrophobicContact CB-CB 4.02Å; N545-A548 PolarHBondContact O-N 2.79Å; N545-A548 PolarHBondContact OD1-N 2.93Å; A548-A550 VanDerWaalsContact C-N 3.32Å; A548-A550 PolarHBondContact O-N 2.81Å; A548-V551 WeakPolarHBondContact O-CB 3.49Å; A548-V551 PolarHBondContact O-N 3.08Å; A548-D552 PolarHBondContact O-N 2.98Å
549	L	98.8	Very high	98.2	Very high	41 Å²	41	32.3 Å²	32.3	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-31.6	177.9	-66.2	172.5	0	0	0	112.6	A534 L535 C538 N545 I546 L547 D552 A553	A534-L549 HydrophobicContact CB-CD2 4.25Å; L535-L549 HydrophobicContact CD2-CB 3.67Å; L535-L549 HydrophobicContact CG-CB 3.99Å; C538-L549 HydrophobicContact CB-CD1 3.32Å; N545-L549 PolarHBondContact O-N 3.36Å; I546-L549 PolarHBondContact O-N 3.42Å; L547-L549 PolarHBondContact O-N 2.92Å; L549-D552 PolarHBondContact O-N 3.15Å; L549-A553 PolarHBondContact O-N 2.89Å
550	A	98.9	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-32.9	174.6	0	0	0	0	0	112.4	I191 A195 L535 I546 L547 A548 D552 A553 A554 I563	I191-A550 HydrophobicContact CG2-CB 3.26Å; A195-A550 HydrophobicContact CB-CB 3.95Å; A195-A550 WeakPolarHBondContact CB-O 3.21Å; L535-A550 HydrophobicContact CD2-CB 4.22Å; I546-A550 WeakPolarHBondContact O-CB 3.44Å; I546-A550 PolarHBondContact O-N 3.13Å; L547-A550 PolarHBondContact O-N 2.76Å; A548-A550 VanDerWaalsContact C-N 3.32Å; A548-A550 PolarHBondContact O-N 2.81Å; A550-D552 VanDerWaalsContact C-N 3.3Å; A550-A553 PolarHBondContact O-N 3.33Å; A550-A554 WeakPolarHBondContact O-CB 3.28Å; A550-A554 PolarHBondContact O-N 2.76Å; A550-I563 HydrophobicContact CB-CG2 4.37Å
551	V	98.9	Very high	98.2	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-41.6	171	169.4	0	0	0	0	110.5	A195 I198 V199 L547 A548 A554 R555	A195-V551 HydrophobicContact CB-CG2 4.1Å; I198-V551 HydrophobicContact CB-CG2 4.19Å; I198-V551 HydrophobicContact CD1-CG2 3.87Å; I198-V551 HydrophobicContact CG2-CG1 4.16Å; I198-V551 HydrophobicContact CG2-CG2 3.99Å; V199-V551 HydrophobicContact CG2-CG1 3.9Å; V199-V551 WeakPolarHBondContact CG2-O 3.42Å; L547-V551 WeakPolarHBondContact O-CG2 3.32Å; L547-V551 PolarHBondContact O-N 2.83Å; A548-V551 WeakPolarHBondContact O-CB 3.49Å; A548-V551 PolarHBondContact O-N 3.08Å; V551-A554 PolarHBondContact O-N 3.47Å; V551-R555 WeakPolarHBondContact O-CB 3.22Å; V551-R555 PolarHBondContact O-N 2.81Å
552	D	98.8	Very high	98.3	Very high	79 Å²	79	28.2 Å²	28.2	42%	0.422	17%	0.167	S	C	.	.	H	α-helix	trans	-66.5	-40.6	175.4	-67.9	-28.2	0	0	0	112.3	A548 L549 A550 R555 A556	A548-D552 PolarHBondContact O-N 2.98Å; L549-D552 PolarHBondContact O-N 3.15Å; A550-D552 VanDerWaalsContact C-N 3.3Å; D552-R555 PolarHBondContact O-N 2.7Å; D552-A556 WeakPolarHBondContact O-CB 3.49Å; D552-A556 PolarHBondContact O-N 2.71Å
553	A	98.8	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-46	174.6	0	0	0	0	0	112.2	L535 L549 A550 R555 A556 R557 C558 I563	L535-A553 HydrophobicContact CD1-CB 3.79Å; L549-A553 PolarHBondContact O-N 2.89Å; A550-A553 PolarHBondContact O-N 3.33Å; A553-R555 VanDerWaalsContact C-N 3.31Å; A553-R555 PolarHBondContact O-N 3.08Å; A553-A556 CarbonylContact O-C 3.43Å; A553-A556 WeakPolarHBondContact O-CA 3.48Å; A553-A556 WeakPolarHBondContact O-CB 3.32Å; A553-A556 PolarHBondContact O-N 3.32Å; A553-A556 VanDerWaalsContact O-N 3.08Å; A553-R557 PolarHBondContact O-N 2.79Å; A553-C558 HydrophobicContact CB-CB 3.95Å; A553-C558 VanDerWaalsContact O-CB 3.26Å; A553-C558 WeakPolarHBondContact O-CB 3.44Å; A553-C558 PolarHBondContact O-N 2.88Å; A553-C558 PolarHBondContact O-SG 2.88Å; A553-I563 HydrophobicContact CB-CD1 3.93Å; A553-I563 HydrophobicContact CB-CG1 3.9Å
554	A	98.8	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-40.3	176.1	0	0	0	0	0	111.4	V165 A195 T196 V199 A550 V551 A556 R557	V165-A554 WeakPolarHBondContact CG1-O 3.32Å; A195-A554 HydrophobicContact CB-CB 3.91Å; T196-A554 HydrophobicContact CG2-CB 4.09Å; V199-A554 HydrophobicContact CG2-CB 4.07Å; A550-A554 WeakPolarHBondContact O-CB 3.28Å; A550-A554 PolarHBondContact O-N 2.76Å; V551-A554 PolarHBondContact O-N 3.47Å; A554-A556 VanDerWaalsContact C-N 3.28Å; A554-A556 PolarHBondContact O-N 2.96Å; A554-R557 PolarHBondContact O-N 3.26Å
555	R	98.6	Very high	98.8	Very high	97 Å²	97	21.5 Å²	21.5	37%	0.366	11%	0.109	S	C	.	.	H	α-helix	trans	-62.4	-36.2	173.8	-164.9	-170.5	-50.9	-76.5	-3.2	112.1	V199 E202 V551 D552 A553 R557	V199-R555 HydrophobicContact CG1-CB 4.36Å; V199-R555 HydrophobicContact CG1-CG 4.45Å; V199-R555 HydrophobicContact CG2-CB 4.26Å; E202-R555 IonicContact OE1-NH2 3.67Å; E202-R555 IonicContact OE2-CZ 3.53Å; E202-R555 IonicContact OE2-NH1 2.76Å; E202-R555 PolarHBondContact OE2-NH1 2.98Å; E202-R555 IonicContact OE2-NH2 3.79Å; E202-R555 PolarHBondContact OE2-NH2 2.99Å; V551-R555 WeakPolarHBondContact O-CB 3.22Å; V551-R555 PolarHBondContact O-N 2.81Å; D552-R555 PolarHBondContact O-N 2.7Å; A553-R555 VanDerWaalsContact C-N 3.31Å; A553-R555 PolarHBondContact O-N 3.08Å; R555-R557 VanDerWaalsContact O-CD 3.23Å; R555-R557 WeakPolarHBondContact O-CD 3.23Å; R555-R557 PolarHBondContact O-N 2.97Å; R555-R557 PolarHBondContact O-NH1 3.02Å
556	A	98.7	Very high	98.8	Very high	8 Å²	8	20.7 Å²	20.7	7%	0.066	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	6.9	173.6	0	0	0	0	0	114	L527 D552 A553 A554 C558	L527-A556 HydrophobicContact CD2-CB 4.01Å; L527-A556 HydrophobicContact CG-CB 3.81Å; D552-A556 WeakPolarHBondContact O-CB 3.49Å; D552-A556 PolarHBondContact O-N 2.71Å; A553-A556 CarbonylContact O-C 3.43Å; A553-A556 WeakPolarHBondContact O-CA 3.48Å; A553-A556 WeakPolarHBondContact O-CB 3.32Å; A553-A556 PolarHBondContact O-N 3.32Å; A553-A556 VanDerWaalsContact O-N 3.08Å; A554-A556 VanDerWaalsContact C-N 3.28Å; A554-A556 PolarHBondContact O-N 2.96Å; A556-C558 PolarHBondContact O-N 3.27Å
557	R	98.8	Very high	98.8	Very high	48 Å²	48	20.7 Å²	20.7	18%	0.181	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	32.5	-178	-79.5	62.1	179.3	164.9	8.7	112.4	V165 E166 E203 I519 R523 A553 A554 R555	V165-R557 HydrophobicContact CG1-CG 4.16Å; E166-R557 IonicContact OE1-CZ 3.72Å; E166-R557 IonicContact OE1-NE 3.02Å; E166-R557 PolarHBondContact OE1-NE 3.48Å; E166-R557 IonicContact OE1-NH2 2.77Å; E166-R557 PolarHBondContact OE1-NH2 3.36Å; E203-R557 VanDerWaalsContact CD-NH2 3.31Å; E203-R557 IonicContact OE1-CZ 2.79Å; E203-R557 IonicContact OE1-NH1 3.94Å; E203-R557 PolarHBondContact OE1-NH1 3.26Å; E203-R557 IonicContact OE1-NH2 2.63Å; E203-R557 PolarHBondContact OE1-NH2 3.4Å; E203-R557 IonicContact OE2-NH2 3.13Å; E203-R557 PolarHBondContact OE2-NH2 3.22Å; I519-R557 HydrophobicContact CG2-CB 3.83Å; I519-R557 HydrophobicContact CG2-CG 4.02Å; R523-R557 HydrophobicContact CB-CB 4.01Å; R523-R557 WeakPolarHBondContact CD-O 3.21Å; R523-R557 PolarHBondContact NH1-O 3.1Å; A553-R557 PolarHBondContact O-N 2.79Å; A554-R557 PolarHBondContact O-N 3.26Å; R555-R557 VanDerWaalsContact O-CD 3.23Å; R555-R557 WeakPolarHBondContact O-CD 3.23Å; R555-R557 PolarHBondContact O-N 2.97Å; R555-R557 PolarHBondContact O-NH1 3.02Å
558	C	98.8	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.			trans	-64.3	146.3	160.1	-62.9	0	0	0	0	109.5	A528 L532 A553 A556 E562 I563	A528-C558 PolarHBondContact O-SG 3.19Å; L532-C558 HydrophobicContact CD2-CB 3.99Å; L532-C558 HydrophobicContact CG-CB 4.45Å; A553-C558 HydrophobicContact CB-CB 3.95Å; A553-C558 VanDerWaalsContact O-CB 3.26Å; A553-C558 WeakPolarHBondContact O-CB 3.44Å; A553-C558 PolarHBondContact O-N 2.88Å; A553-C558 PolarHBondContact O-SG 2.88Å; A556-C558 PolarHBondContact O-N 3.27Å; C558-E562 WeakPolarHBondContact CA-OE2 3.49Å; C558-I563 HydrophobicContact CB-CD1 4.15Å; C558-I563 HydrophobicContact CB-CG1 3.92Å
559	T	98.9	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.			trans	-85.3	165.6	-178.1	74.2	0	0	0	0	111.9	D145 D163 T164 L516 G561 E562 I563	D145-T559 WeakPolarHBondContact OD1-CB 3.39Å; D145-T559 PolarHBondContact OD1-OG1 3.47Å; D145-T559 VanDerWaalsContact OD2-CB 3.24Å; D145-T559 WeakPolarHBondContact OD2-CB 3.45Å; D145-T559 PolarHBondContact OD2-OG1 2.92Å; D163-T559 CarbonylContact O-C 3.51Å; D163-T559 WeakPolarHBondContact O-CA 3.29Å; D163-T559 WeakPolarHBondContact O-CB 3.14Å; T164-T559 HydrophobicContact CG2-CG2 3.93Å; L516-T559 HydrophobicContact CD1-CG2 3.57Å; T559-G561 VanDerWaalsContact C-N 3.28Å; T559-G561 PolarHBondContact O-N 2.99Å; T559-G561 PolarHBondContact OG1-N 3.41Å; T559-E562 HydrophobicContact CG2-CG 4.45Å; T559-E562 PolarHBondContact N-OE2 3.13Å; T559-E562 PolarHBondContact O-N 3.38Å; T559-E562 WeakPolarHBondContact OG1-CB 3.12Å; T559-E562 VanDerWaalsContact OG1-CG 3.26Å; T559-E562 WeakPolarHBondContact OG1-CG 3.37Å; T559-E562 PolarHBondContact OG1-N 3.17Å; T559-I563 WeakPolarHBondContact O-CB 3.48Å; T559-I563 VanDerWaalsContact O-CG1 3.32Å; T559-I563 WeakPolarHBondContact O-CG1 3.32Å; T559-I563 PolarHBondContact O-N 2.98Å
560	V	98.8	Very high	98.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-57.1	-45.5	171.3	168.5	0	0	0	0	110	I162 D163 A189 P192 I193 T564	I162-V560 HydrophobicContact CG2-CG2 4.38Å; I162-V560 WeakPolarHBondContact O-CG2 3.29Å; D163-V560 PolarHBondContact O-N 3.04Å; A189-V560 HydrophobicContact CB-CG1 4.29Å; P192-V560 HydrophobicContact CB-CB 4.35Å; P192-V560 HydrophobicContact CB-CG1 4.37Å; P192-V560 HydrophobicContact CB-CG2 4.11Å; P192-V560 HydrophobicContact CG-CG1 3.99Å; I193-V560 HydrophobicContact CD1-CG2 3.99Å; V560-T564 VanDerWaalsContact O-CB 3.3Å; V560-T564 WeakPolarHBondContact O-CB 3.48Å; V560-T564 PolarHBondContact O-N 3.04Å; V560-T564 PolarHBondContact O-OG1 3.43Å
561	G	98.8	Very high	98.7	Very high	4 Å²	4	30.5 Å²	30.5	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-49.4	175.2	0	0	0	0	0	112.7	G143 D145 T559 I563 T564 D565	G143-G561 WeakPolarHBondContact O-CA 3.33Å; D145-G561 WeakPolarHBondContact OD1-CA 3.42Å; D145-G561 PolarHBondContact OD1-N 2.99Å; T559-G561 VanDerWaalsContact C-N 3.28Å; T559-G561 PolarHBondContact O-N 2.99Å; T559-G561 PolarHBondContact OG1-N 3.41Å; G561-I563 PolarHBondContact O-N 3.39Å; G561-T564 PolarHBondContact O-N 3.13Å; G561-D565 VanDerWaalsContact O-CB 3.31Å; G561-D565 WeakPolarHBondContact O-CB 3.43Å; G561-D565 VanDerWaalsContact O-CG 3.26Å; G561-D565 PolarHBondContact O-N 3.36Å
562	E	98.9	Very high	98.7	Very high	39 Å²	39	31.9 Å²	31.9	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-43.5	-178.6	-74	169	164	0	0	112.7	R523 L532 C558 T559 T564 D565 A566	R523-E562 IonicContact CZ-OE1 3.2Å; R523-E562 IonicContact CZ-OE2 2.69Å; R523-E562 IonicContact NH1-OE1 2.72Å; R523-E562 PolarHBondContact NH1-OE1 3.19Å; R523-E562 IonicContact NH1-OE2 2.76Å; R523-E562 PolarHBondContact NH1-OE2 2.8Å; R523-E562 IonicContact NH2-OE1 3.21Å; R523-E562 PolarHBondContact NH2-OE1 2.85Å; R523-E562 IonicContact NH2-OE2 2.79Å; R523-E562 PolarHBondContact NH2-OE2 2.95Å; L532-E562 HydrophobicContact CD1-CB 3.86Å; L532-E562 HydrophobicContact CD1-CG 4.33Å; L532-E562 HydrophobicContact CD2-CB 3.95Å; C558-E562 WeakPolarHBondContact CA-OE2 3.49Å; T559-E562 HydrophobicContact CG2-CG 4.45Å; T559-E562 PolarHBondContact N-OE2 3.13Å; T559-E562 PolarHBondContact O-N 3.38Å; T559-E562 WeakPolarHBondContact OG1-CB 3.12Å; T559-E562 VanDerWaalsContact OG1-CG 3.26Å; T559-E562 WeakPolarHBondContact OG1-CG 3.37Å; T559-E562 PolarHBondContact OG1-N 3.17Å; E562-T564 VanDerWaalsContact C-N 3.34Å; E562-D565 PolarHBondContact O-N 3.41Å; E562-A566 WeakPolarHBondContact O-CB 3.46Å; E562-A566 PolarHBondContact O-N 3.28Å
563	I	98.9	Very high	98.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-42.9	176.8	-69.3	168.3	0	0	0	110.2	I191 P192 L532 L535 A550 A553 C558 T559 G561 A566 L567	I191-I563 HydrophobicContact CG2-CG2 4.11Å; P192-I563 HydrophobicContact CB-CB 4.02Å; P192-I563 HydrophobicContact CB-CD1 3.98Å; P192-I563 HydrophobicContact CB-CG2 3.87Å; P192-I563 HydrophobicContact CG-CG2 4.28Å; L532-I563 HydrophobicContact CD2-CG1 4.11Å; L535-I563 HydrophobicContact CD1-CB 4.47Å; L535-I563 HydrophobicContact CD1-CG1 4.23Å; L535-I563 HydrophobicContact CD1-CG2 4.02Å; A550-I563 HydrophobicContact CB-CG2 4.37Å; A553-I563 HydrophobicContact CB-CD1 3.93Å; A553-I563 HydrophobicContact CB-CG1 3.9Å; C558-I563 HydrophobicContact CB-CD1 4.15Å; C558-I563 HydrophobicContact CB-CG1 3.92Å; T559-I563 WeakPolarHBondContact O-CB 3.48Å; T559-I563 VanDerWaalsContact O-CG1 3.32Å; T559-I563 WeakPolarHBondContact O-CG1 3.32Å; T559-I563 PolarHBondContact O-N 2.98Å; G561-I563 PolarHBondContact O-N 3.39Å; I563-A566 PolarHBondContact O-N 3.32Å; I563-L567 PolarHBondContact O-N 2.94Å
564	T	98.9	Very high	98.5	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-48.4	177.5	-57.4	0	0	0	0	110.7	G143 I230 F231 V560 G561 E562 A566 L567 K568	G143-T564 WeakPolarHBondContact CA-OG1 3.41Å; I230-T564 HydrophobicContact CD1-CG2 3.77Å; I230-T564 HydrophobicContact CG2-CG2 3.93Å; F231-T564 HydrophobicContact CZ-CG2 4.07Å; V560-T564 VanDerWaalsContact O-CB 3.3Å; V560-T564 WeakPolarHBondContact O-CB 3.48Å; V560-T564 PolarHBondContact O-N 3.04Å; V560-T564 PolarHBondContact O-OG1 3.43Å; G561-T564 PolarHBondContact O-N 3.13Å; E562-T564 VanDerWaalsContact C-N 3.34Å; T564-A566 VanDerWaalsContact C-N 3.3Å; T564-A566 PolarHBondContact O-N 2.92Å; T564-L567 WeakPolarHBondContact O-CB 3.34Å; T564-L567 PolarHBondContact O-N 3.12Å; T564-L567 VanDerWaalsContact O-N 3.09Å; T564-K568 HydrophobicContact CG2-CD 4.29Å; T564-K568 HydrophobicContact CG2-CG 4.31Å; T564-K568 WeakPolarHBondContact O-CG 3.33Å; T564-K568 PolarHBondContact O-N 2.92Å
565	D	98.8	Very high	98.1	Very high	74 Å²	74	43.5 Å²	43.5	40%	0.396	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-33.5	-178.7	-73.8	-14.2	0	0	0	112.2	G561 E562 L567 K568 K569	G561-D565 VanDerWaalsContact O-CB 3.31Å; G561-D565 WeakPolarHBondContact O-CB 3.43Å; G561-D565 VanDerWaalsContact O-CG 3.26Å; G561-D565 PolarHBondContact O-N 3.36Å; E562-D565 PolarHBondContact O-N 3.41Å; D565-L567 VanDerWaalsContact C-N 3.26Å; D565-L567 PolarHBondContact O-N 3.47Å; D565-K568 PolarHBondContact O-N 2.89Å; D565-K568 IonicContact OD1-NZ 3.49Å; D565-K569 WeakPolarHBondContact O-CG 3.37Å; D565-K569 PolarHBondContact O-N 2.84Å; D565-K569 VanDerWaalsContact O-N 3.14Å
566	A	98.8	Very high	97.6	Very high	2 Å²	2	41 Å²	41	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-36.5	173	0	0	0	0	0	112.5	L532 L535 T536 E562 I563 T564	L532-A566 HydrophobicContact CB-CB 4.32Å; L532-A566 HydrophobicContact CD2-CB 4.17Å; L535-A566 HydrophobicContact CB-CB 4.27Å; T536-A566 PolarHBondContact OG1-O 3.32Å; E562-A566 WeakPolarHBondContact O-CB 3.46Å; E562-A566 PolarHBondContact O-N 3.28Å; I563-A566 PolarHBondContact O-N 3.32Å; T564-A566 VanDerWaalsContact C-N 3.3Å; T564-A566 PolarHBondContact O-N 2.92Å
567	L	98.8	Very high	96.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-79	-38.9	174.1	-61.3	176.1	0	0	0	111.8	I191 F231 I239 L535 A539 I546 I563 T564 D565 K569 I570 F571	I191-L567 HydrophobicContact CG2-CD1 4.44Å; F231-L567 HydrophobicContact CE1-CB 3.83Å; F231-L567 HydrophobicContact CE2-CD1 4.41Å; F231-L567 HydrophobicContact CZ-CB 3.68Å; F231-L567 HydrophobicContact CZ-CD1 4.11Å; I239-L567 HydrophobicContact CD1-CD1 4.46Å; L535-L567 HydrophobicContact CD2-CD2 4.46Å; A539-L567 HydrophobicContact CB-CD2 3.89Å; I546-L567 HydrophobicContact CG2-CD1 4.05Å; I546-L567 HydrophobicContact CG2-CD2 4.06Å; I563-L567 PolarHBondContact O-N 2.94Å; T564-L567 WeakPolarHBondContact O-CB 3.34Å; T564-L567 PolarHBondContact O-N 3.12Å; T564-L567 VanDerWaalsContact O-N 3.09Å; D565-L567 VanDerWaalsContact C-N 3.26Å; D565-L567 PolarHBondContact O-N 3.47Å; L567-K569 PolarHBondContact O-N 3.15Å; L567-I570 PolarHBondContact O-N 3.19Å; L567-F571 HydrophobicContact CB-CD2 4.1Å; L567-F571 HydrophobicContact CB-CE2 4.34Å; L567-F571 HydrophobicContact CD2-CE2 4.26Å; L567-F571 PolarHBondContact O-N 2.74Å
568	K	98.5	Very high	95.9	Very high	23 Å²	23	49 Å²	49	10%	0.1	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-30.8	178.3	-74.6	-178	-180	175.2	0	112.7	I230 F231 T564 D565 I570 G572 E573	I230-K568 HydrophobicContact CG2-CD 4.4Å; I230-K568 HydrophobicContact CG2-CG 4.28Å; F231-K568 HydrophobicContact CD1-CG 4.24Å; F231-K568 HydrophobicContact CE1-CB 4.33Å; F231-K568 HydrophobicContact CE1-CG 3.56Å; F231-K568 HydrophobicContact CZ-CG 4.45Å; T564-K568 HydrophobicContact CG2-CD 4.29Å; T564-K568 HydrophobicContact CG2-CG 4.31Å; T564-K568 WeakPolarHBondContact O-CG 3.33Å; T564-K568 PolarHBondContact O-N 2.92Å; D565-K568 PolarHBondContact O-N 2.89Å; D565-K568 IonicContact OD1-NZ 3.49Å; K568-I570 PolarHBondContact O-N 3.47Å; K568-I570 VanDerWaalsContact O-N 3.16Å; K568-G572 WeakPolarHBondContact O-CA 3.29Å; K568-G572 PolarHBondContact O-N 3.36Å; K568-E573 HydrophobicContact CD-CG 4.02Å; K568-E573 WeakPolarHBondContact CD-OE1 3.47Å; K568-E573 WeakPolarHBondContact CE-OE1 3.45Å; K568-E573 HydrophobicContact CG-CG 4.41Å; K568-E573 IonicContact NZ-OE1 3.65Å; K568-E573 PolarHBondContact NZ-OE1 3.26Å
569	K	98.4	Very high	95.2	Very high	142 Å²	142	56.1 Å²	56.1	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-53.6	-32.2	174.6	-74.2	172.2	-171.6	173.4	0	113.5	T536 D565 L567	T536-K569 HydrophobicContact CG2-CB 4.3Å; T536-K569 HydrophobicContact CG2-CD 4.24Å; D565-K569 WeakPolarHBondContact O-CG 3.37Å; D565-K569 PolarHBondContact O-N 2.84Å; D565-K569 VanDerWaalsContact O-N 3.14Å; L567-K569 PolarHBondContact O-N 3.15Å
570	I	98.6	Very high	94.5	Very high	79 Å²	79	60.3 Å²	60.3	41%	0.405	30%	0.3	S	S	.	.	H	α-helix	trans	-102.7	-45.1	-179.7	-56.3	-55.4	0	0	0	111.2	T536 A539 A540 L567 K568	T536-I570 HydrophobicContact CG2-CD1 4.11Å; T536-I570 HydrophobicContact CG2-CG1 4.01Å; A539-I570 HydrophobicContact CB-CB 4.05Å; A539-I570 HydrophobicContact CB-CG1 4.04Å; A539-I570 HydrophobicContact CB-CG2 4.35Å; A540-I570 HydrophobicContact CB-CD1 3.79Å; A540-I570 HydrophobicContact CB-CG1 4.02Å; A540-I570 HydrophobicContact CB-CG2 4.46Å; L567-I570 PolarHBondContact O-N 3.19Å; K568-I570 PolarHBondContact O-N 3.47Å; K568-I570 VanDerWaalsContact O-N 3.16Å
571	F	98.3	Very high	94.1	Very high	35 Å²	35	60.7 Å²	60.7	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-86.2	-18	-171.9	-60.3	-26.4	0	0	0	114.4	F231 P232 P235 I239 A539 I546 L567	F231-F571 HydrophobicContact CB-CB 4.27Å; F231-F571 HydrophobicContact CD1-CB 3.72Å; F231-F571 HydrophobicContact CD1-CD2 4.12Å; F231-F571 HydrophobicContact CD1-CG 4.45Å; F231-F571 HydrophobicContact CE1-CB 4.44Å; F231-F571 HydrophobicContact CE1-CD2 4.37Å; F231-F571 HydrophobicContact CG-CB 4.22Å; F231-F571 HydrophobicContact CG-CD2 4.27Å; P232-F571 VanDerWaalsContact CD-O 3.25Å; P232-F571 WeakPolarHBondContact CD-O 3.36Å; P235-F571 HydrophobicContact CB-CB 3.85Å; P235-F571 HydrophobicContact CB-CD1 3.55Å; P235-F571 HydrophobicContact CB-CD2 3.74Å; P235-F571 HydrophobicContact CB-CE1 3.96Å; P235-F571 HydrophobicContact CB-CE2 4.12Å; P235-F571 HydrophobicContact CB-CG 3.43Å; P235-F571 VanDerWaalsContact CB-CG 3.43Å; P235-F571 HydrophobicContact CB-CZ 4.22Å; P235-F571 HydrophobicContact CG-CB 3.99Å; P235-F571 HydrophobicContact CG-CD1 4.4Å; P235-F571 HydrophobicContact CG-CG 4.15Å; I239-F571 HydrophobicContact CD1-CE2 4.31Å; A539-F571 HydrophobicContact CB-CE1 3.9Å; A539-F571 HydrophobicContact CB-CE2 4.08Å; A539-F571 HydrophobicContact CB-CZ 3.59Å; I546-F571 HydrophobicContact CD1-CE2 4.24Å; I546-F571 HydrophobicContact CD1-CZ 4.16Å; L567-F571 HydrophobicContact CB-CD2 4.1Å; L567-F571 HydrophobicContact CB-CE2 4.34Å; L567-F571 HydrophobicContact CD2-CE2 4.26Å; L567-F571 PolarHBondContact O-N 2.74Å
572	G	98	Very high	93.6	Very high	33 Å²	33	65 Å²	65	34%	0.34	33%	0.332	S	S	.	.			trans	66.5	-162.6	-172.4	0	0	0	0	0	113.4	F231 K568	F231-G572 WeakPolarHBondContact CD1-O 3.02Å; K568-G572 WeakPolarHBondContact O-CA 3.29Å; K568-G572 PolarHBondContact O-N 3.36Å
573	E	96.9	Very high	93.3	Very high	90 Å²	90	64.5 Å²	64.5	42%	0.421	34%	0.337	S	S	.	.			trans	-120.5	143.2	176	-68.1	-174.1	159.1	0	0	110.4	I230 K568	I230-E573 WeakPolarHBondContact O-CA 3.29Å; K568-E573 HydrophobicContact CD-CG 4.02Å; K568-E573 WeakPolarHBondContact CD-OE1 3.47Å; K568-E573 WeakPolarHBondContact CE-OE1 3.45Å; K568-E573 HydrophobicContact CG-CG 4.41Å; K568-E573 IonicContact NZ-OE1 3.65Å; K568-E573 PolarHBondContact NZ-OE1 3.26Å
574	H	95.9	Very high	93.1	Very high	50 Å²	50	64.9 Å²	64.9	23%	0.231	34%	0.34	C	S	.	.			trans	-73.2	135.3	174.8	-173.4	63.3	0	0	0	111.4	F223 Y229 I230	F223-H574 AromaticContact CD1-CD2 3.61Å; F223-H574 AromaticContact CD1-NE2 3.78Å; F223-H574 HydrophobicContact CE1-CB 4.11Å; F223-H574 AromaticContact CE1-CD2 3.63Å; F223-H574 AromaticContact CE1-CG 3.72Å; Y229-H574 HydrophobicContact CD2-CB 3.85Å; Y229-H574 AromaticContact CD2-CD2 3.81Å; Y229-H574 HydrophobicContact CE2-CB 4.12Å; Y229-H574 AromaticContact CE2-CD2 3.53Å; Y229-H574 AromaticContact CZ-CD2 3.81Å; I230-H574 PolarHBondContact O-N 3.37Å
575	K	90.6	Very high	93	Very high	184 Å²	184	64.8 Å²	64.8	80%	0.8	34%	0.34	S	S	*	.			trans	-118.1	115.9	169.2	-64.5	-175.4	179	-176.2	0	108.1
576	A	88.7	Confident	92.9	Very high	45 Å²	45	67.7 Å²	67.7	37%	0.372	35%	0.345	S	S	.	.			trans	-68.4	146.4	177.9	0	0	0	0	0	110.7
577	N	84.3	Confident	92.8	Very high	157 Å²	157	75.2 Å²	75.2	84%	0.84	38%	0.38	S	S	*	.			trans	-123.5	85.4	171.5	-176.7	18.8	0	0	0	108.3
578	D	76.8	Confident	92.7	Very high	65 Å²	65	78.6 Å²	78.6	35%	0.348	40%	0.396	S	S	.	.			trans	-80.1	139.6	-171.2	-77	-1.6	0	0	0	112	K463 K630	K463-D578 VanDerWaalsContact CE-OD2 3.26Å; K463-D578 WeakPolarHBondContact CE-OD2 3.29Å; D578-K630 IonicContact OD2-NZ 3.59Å; D578-K630 PolarHBondContact OD2-NZ 3.42Å
579	R	84.4	Confident	92.6	Very high	151 Å²	151	78.5 Å²	78.5	57%	0.57	40%	0.395	S	S	*	.			trans	-88.8	152.5	165.5	-61.8	-178.8	-174.3	177.6	5.5	109	L464	L464-R579 HydrophobicContact CD1-CB 4.37Å
580	M	84.6	Confident	92.4	Very high	88 Å²	88	73.6 Å²	73.6	43%	0.433	39%	0.385	S	S	.	.			trans	-104.8	134.1	177.8	-169.8	-178.1	72.3	0	0	110.6	I645	M580-I645 HydrophobicContact CG-CD1 4.01Å; M580-I645 HydrophobicContact SD-CD1 3.94Å
581	V	89.7	Confident	92.1	Very high	9 Å²	9	79.7 Å²	79.7	6%	0.055	41%	0.412	C	S	.	.			trans	-68.6	141	168.4	179	0	0	0	0	109.9	L464 E467 E468 A584 T634	L464-V581 HydrophobicContact CD1-CG2 3.64Å; E467-V581 HydrophobicContact CB-CG2 3.57Å; E468-V581 HydrophobicContact CG-CG1 3.98Å; E468-V581 HydrophobicContact CG-CG2 4Å; V581-A584 HydrophobicContact CG1-CB 3.64Å; V581-T634 WeakPolarHBondContact O-CB 3.41Å; V581-T634 PolarHBondContact O-OG1 3.44Å
582	S	89.4	Confident	92	Very high	95 Å²	95	79.4 Å²	79.4	66%	0.664	41%	0.414	S	S	*	.			trans	-137.3	138.4	174.9	-177.1	0	0	0	0	110.9	A584	S582-A584 VanDerWaalsContact C-N 3.25Å; S582-A584 PolarHBondContact O-N 2.93Å
583	G	92.1	Very high	91.9	Very high	28 Å²	28	87.1 Å²	87.1	29%	0.289	44%	0.438	S	S	.	.	S	Bend	trans	81	-17.9	173.7	0	0	0	0	0	116.2	Y585 Q587 D638	G583-Y585 PolarHBondContact O-N 3.04Å; G583-Q587 VanDerWaalsContact O-CB 3.25Å; G583-Q587 WeakPolarHBondContact O-CB 3.5Å; G583-Q587 PolarHBondContact O-N 3.43Å; G583-D638 VanDerWaalsContact CA-OD1 3.26Å; G583-D638 WeakPolarHBondContact CA-OD1 3.35Å; G583-D638 WeakPolarHBondContact CA-OD2 3.4Å; G583-D638 PolarHBondContact N-OD1 3.32Å
584	A	95.1	Very high	91.8	Very high	8 Å²	8	85.9 Å²	85.9	7%	0.066	43%	0.432	C	S	.	.	H	α-helix	trans	-63.8	-39.4	-175.1	0	0	0	0	0	112.9	A471 V581 S582 E588	A471-A584 HydrophobicContact CB-CB 4.15Å; V581-A584 HydrophobicContact CG1-CB 3.64Å; S582-A584 VanDerWaalsContact C-N 3.25Å; S582-A584 PolarHBondContact O-N 2.93Å; A584-E588 WeakPolarHBondContact O-CB 3.5Å; A584-E588 PolarHBondContact O-N 2.7Å
585	Y	97.1	Very high	91.8	Very high	1 Å²	1	83.8 Å²	83.8	0%	0.004	42%	0.423	C	S	.	.	H	α-helix	trans	-66.9	-52.1	179.7	175.9	-92.7	0	0	0	110.7	Q474 A475 D478 G583 Q587 E588 F589 I595 I726 P727	Q474-Y585 HydrophobicContact CB-CD2 4.36Å; Q474-Y585 HydrophobicContact CB-CE2 4.27Å; Q474-Y585 HydrophobicContact CG-CE2 4.13Å; A475-Y585 HydrophobicContact CB-CD2 3.73Å; A475-Y585 HydrophobicContact CB-CE2 3.86Å; A475-Y585 HydrophobicContact CB-CG 4.3Å; A475-Y585 VanDerWaalsContact CB-O 3.26Å; A475-Y585 WeakPolarHBondContact CB-O 3.48Å; D478-Y585 PolarHBondContact OD2-OH 3.29Å; D478-Y585 VanDerWaalsContact OD2-OH 3.07Å; G583-Y585 PolarHBondContact O-N 3.04Å; Y585-Q587 PolarHBondContact O-N 2.75Å; Y585-E588 PolarHBondContact O-N 3.47Å; Y585-F589 HydrophobicContact CE1-CD2 4.05Å; Y585-F589 HydrophobicContact CE2-CD2 4.49Å; Y585-F589 AromaticContact CZ-CD2 3.75Å; Y585-F589 WeakPolarHBondContact O-CB 3.39Å; Y585-F589 PolarHBondContact O-N 2.94Å; Y585-F589 WeakPolarHBondContact OH-CD2 3.31Å; Y585-F589 WeakPolarHBondContact OH-CE2 3.24Å; Y585-I595 HydrophobicContact CE1-CD1 4.28Å; Y585-I726 HydrophobicContact CD2-CD1 3.89Å; Y585-I726 HydrophobicContact CE1-CB 4.42Å; Y585-I726 HydrophobicContact CE1-CD1 4.47Å; Y585-I726 HydrophobicContact CE1-CG2 4.49Å; Y585-I726 HydrophobicContact CE2-CB 4.43Å; Y585-I726 HydrophobicContact CE2-CD1 3.54Å; Y585-I726 HydrophobicContact CE2-CG1 4.19Å; Y585-P727 WeakPolarHBondContact OH-CD 3.39Å
586	R	95.6	Very high	92.1	Very high	135 Å²	135	79.5 Å²	79.5	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-40.2	-179.7	179.9	177.1	175.5	-175.3	-2.1	113	F589 G590 D638	R586-F589 PolarHBondContact O-N 2.98Å; R586-G590 PolarHBondContact O-N 2.91Å; R586-D638 HydrophobicContact CB-CB 4.01Å; R586-D638 WeakPolarHBondContact CB-OD2 3.32Å; R586-D638 PolarHBondContact N-OD2 2.94Å
587	Q	96.5	Very high	92.5	Very high	160 Å²	160	80.8 Å²	80.8	75%	0.748	42%	0.419	S	S	*	.	H	α-helix	trans	-61.4	-46.8	179.5	-177.1	-178.8	20.7	0	0	111.4	G583 Y585 G590	G583-Q587 VanDerWaalsContact O-CB 3.25Å; G583-Q587 WeakPolarHBondContact O-CB 3.5Å; G583-Q587 PolarHBondContact O-N 3.43Å; Y585-Q587 PolarHBondContact O-N 2.75Å; Q587-G590 PolarHBondContact O-N 3.47Å
588	E	97.4	Very high	93.1	Very high	73 Å²	73	73.5 Å²	73.5	34%	0.341	38%	0.38	S	S	.	.	H	α-helix	trans	-72.8	-32.3	-179.2	-175.1	75.9	-175.9	0	0	112.4	R472 A475 R476 A584 Y585 G590	R472-E588 HydrophobicContact CB-CB 4.19Å; R472-E588 HydrophobicContact CB-CG 3.89Å; R472-E588 HydrophobicContact CG-CB 4.01Å; R472-E588 HydrophobicContact CG-CG 4.19Å; R472-E588 WeakPolarHBondContact O-CG 3.43Å; A475-E588 HydrophobicContact CB-CB 3.8Å; A475-E588 HydrophobicContact CB-CG 3.95Å; R476-E588 VanDerWaalsContact CD-OE1 3.28Å; R476-E588 WeakPolarHBondContact CD-OE1 3.4Å; R476-E588 HydrophobicContact CG-CG 3.9Å; R476-E588 VanDerWaalsContact CG-OE1 3.23Å; R476-E588 WeakPolarHBondContact CG-OE1 3.36Å; R476-E588 IonicContact CZ-OE1 3.97Å; R476-E588 IonicContact NE-OE1 3.25Å; R476-E588 IonicContact NH1-OE1 2.95Å; R476-E588 PolarHBondContact NH1-OE1 3.02Å; A584-E588 WeakPolarHBondContact O-CB 3.5Å; A584-E588 PolarHBondContact O-N 2.7Å; Y585-E588 PolarHBondContact O-N 3.47Å; E588-G590 PolarHBondContact O-N 3.32Å
589	F	96.8	Very high	94.1	Very high	20 Å²	20	72.4 Å²	72.4	9%	0.088	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-34.5	175.7	-158.2	-72.3	0	0	0	111.5	A475 D478 Y585 R586 S592 I595 P727	A475-F589 HydrophobicContact CB-CB 4.12Å; A475-F589 HydrophobicContact CB-CD2 4.39Å; D478-F589 HydrophobicContact CB-CD2 4.41Å; D478-F589 HydrophobicContact CB-CE2 3.75Å; Y585-F589 HydrophobicContact CE1-CD2 4.05Å; Y585-F589 HydrophobicContact CE2-CD2 4.49Å; Y585-F589 AromaticContact CZ-CD2 3.75Å; Y585-F589 WeakPolarHBondContact O-CB 3.39Å; Y585-F589 PolarHBondContact O-N 2.94Å; Y585-F589 WeakPolarHBondContact OH-CD2 3.31Å; Y585-F589 WeakPolarHBondContact OH-CE2 3.24Å; R586-F589 PolarHBondContact O-N 2.98Å; F589-S592 VanDerWaalsContact CE1-CB 3.42Å; F589-I595 HydrophobicContact CD1-CD1 4.24Å; F589-I595 HydrophobicContact CD1-CG1 3.65Å; F589-I595 HydrophobicContact CD2-CD1 4.21Å; F589-I595 HydrophobicContact CD2-CG1 4.49Å; F589-I595 HydrophobicContact CE1-CD1 4.37Å; F589-I595 HydrophobicContact CE1-CG1 3.79Å; F589-I595 HydrophobicContact CE2-CD1 4.28Å; F589-I595 HydrophobicContact CG-CD1 4.18Å; F589-I595 HydrophobicContact CG-CG1 4.05Å; F589-I595 HydrophobicContact CZ-CD1 4.37Å; F589-I595 HydrophobicContact CZ-CG1 4.23Å; F589-P727 HydrophobicContact CE2-CG 4.1Å; F589-P727 HydrophobicContact CZ-CG 4.4Å
590	G	93.8	Very high	94.8	Very high	39 Å²	39	72.8 Å²	72.8	40%	0.402	38%	0.379	S	S	.	.			trans	74.8	-163.6	-179.4	0	0	0	0	0	113.8	R586 Q587 E588 S592	R586-G590 PolarHBondContact O-N 2.91Å; Q587-G590 PolarHBondContact O-N 3.47Å; E588-G590 PolarHBondContact O-N 3.32Å; G590-S592 PolarHBondContact O-N 3.48Å
591	E	92.3	Very high	95.4	Very high	208 Å²	208	71.6 Å²	71.6	97%	0.972	37%	0.37	S	S	*	.	S	Bend	trans	-70.4	118.4	-178.7	-67.5	-171.9	174.7	0	0	111.5
592	S	95.6	Very high	95.8	Very high	29 Å²	29	71.6 Å²	71.6	20%	0.203	37%	0.37	C	S	.	.			trans	-143.2	134.9	180	173.8	0	0	0	0	112.5	F589 G590 E594 T596	F589-S592 VanDerWaalsContact CE1-CB 3.42Å; G590-S592 PolarHBondContact O-N 3.48Å; S592-E594 PolarHBondContact O-N 2.91Å; S592-E594 WeakPolarHBondContact OG-CB 3.44Å; S592-E594 PolarHBondContact OG-N 3.31Å; S592-E594 VanDerWaalsContact OG-N 3.15Å; S592-T596 WeakPolarHBondContact O-CB 3.33Å; S592-T596 PolarHBondContact O-N 2.94Å; S592-T596 VanDerWaalsContact O-N 3.09Å; S592-T596 PolarHBondContact O-OG1 3.33Å
593	K	95.6	Very high	96.2	Very high	195 Å²	195	69.4 Å²	69.4	85%	0.848	36%	0.355	S	S	*	.	H	α-helix	trans	-62.1	-34.1	171.5	-68.6	-176.2	-179.9	178.3	0	111.8	T596 S597	K593-T596 PolarHBondContact O-N 2.95Å; K593-S597 VanDerWaalsContact O-CB 3.27Å; K593-S597 WeakPolarHBondContact O-CB 3.45Å; K593-S597 PolarHBondContact O-N 2.94Å
594	E	95.8	Very high	96.5	Very high	63 Å²	63	74 Å²	74	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-50.2	179.6	-175.9	179.3	-156.6	0	0	111.3	S592 T596 S597 A598 R725 P727	S592-E594 PolarHBondContact O-N 2.91Å; S592-E594 WeakPolarHBondContact OG-CB 3.44Å; S592-E594 PolarHBondContact OG-N 3.31Å; S592-E594 VanDerWaalsContact OG-N 3.15Å; E594-T596 VanDerWaalsContact C-N 3.32Å; E594-T596 PolarHBondContact O-N 3.02Å; E594-S597 WeakPolarHBondContact O-CB 3.5Å; E594-S597 PolarHBondContact O-N 3.5Å; E594-A598 PolarHBondContact O-N 2.81Å; E594-R725 IonicContact OE1-CZ 3.75Å; E594-R725 IonicContact OE1-NH1 3.88Å; E594-R725 PolarHBondContact OE1-NH1 2.98Å; E594-R725 IonicContact OE1-NH2 2.77Å; E594-R725 IonicContact OE2-CZ 3.66Å; E594-R725 IonicContact OE2-NH1 2.76Å; E594-R725 PolarHBondContact OE2-NH1 3.01Å; E594-R725 IonicContact OE2-NH2 3.41Å; E594-R725 PolarHBondContact OE2-NH2 3.2Å; E594-P727 HydrophobicContact CG-CB 3.84Å
595	I	96.1	Very high	96.6	Very high	7 Å²	7	73.9 Å²	73.9	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-46	175.8	-64.5	-68	0	0	0	110.4	Y585 F589 S597 A598 I599 L639 P727	Y585-I595 HydrophobicContact CE1-CD1 4.28Å; F589-I595 HydrophobicContact CD1-CD1 4.24Å; F589-I595 HydrophobicContact CD1-CG1 3.65Å; F589-I595 HydrophobicContact CD2-CD1 4.21Å; F589-I595 HydrophobicContact CD2-CG1 4.49Å; F589-I595 HydrophobicContact CE1-CD1 4.37Å; F589-I595 HydrophobicContact CE1-CG1 3.79Å; F589-I595 HydrophobicContact CE2-CD1 4.28Å; F589-I595 HydrophobicContact CG-CD1 4.18Å; F589-I595 HydrophobicContact CG-CG1 4.05Å; F589-I595 HydrophobicContact CZ-CD1 4.37Å; F589-I595 HydrophobicContact CZ-CG1 4.23Å; I595-S597 VanDerWaalsContact C-N 3.3Å; I595-S597 PolarHBondContact O-N 2.7Å; I595-A598 PolarHBondContact O-N 2.81Å; I595-I599 HydrophobicContact CG2-CD1 3.78Å; I595-I599 HydrophobicContact CG2-CG1 4.47Å; I595-I599 WeakPolarHBondContact O-CG1 3.48Å; I595-I599 PolarHBondContact O-N 3.33Å; I595-L639 HydrophobicContact CD1-CD2 3.88Å; I595-L639 HydrophobicContact CG2-CD2 3.96Å; I595-P727 HydrophobicContact CD1-CB 4.12Å; I595-P727 HydrophobicContact CD1-CG 3.54Å
596	T	96.8	Very high	96.6	Very high	93 Å²	93	78 Å²	78	57%	0.571	39%	0.385	S	S	*	.	H	α-helix	trans	-61.7	-39.9	179.6	-55.2	0	0	0	0	111.5	S592 K593 E594 K600	S592-T596 WeakPolarHBondContact O-CB 3.33Å; S592-T596 PolarHBondContact O-N 2.94Å; S592-T596 VanDerWaalsContact O-N 3.09Å; S592-T596 PolarHBondContact O-OG1 3.33Å; K593-T596 PolarHBondContact O-N 2.95Å; E594-T596 VanDerWaalsContact C-N 3.32Å; E594-T596 PolarHBondContact O-N 3.02Å; T596-K600 WeakPolarHBondContact O-CB 3.27Å; T596-K600 PolarHBondContact O-N 3.32Å
597	S	97.2	Very high	96.7	Very high	73 Å²	73	78.8 Å²	78.8	51%	0.51	40%	0.395	S	S	.	.	H	α-helix	trans	-66.3	-44.2	176.4	-172.2	0	0	0	0	112.2	K593 E594 I595 K600 R601	K593-S597 VanDerWaalsContact O-CB 3.27Å; K593-S597 WeakPolarHBondContact O-CB 3.45Å; K593-S597 PolarHBondContact O-N 2.94Å; E594-S597 WeakPolarHBondContact O-CB 3.5Å; E594-S597 PolarHBondContact O-N 3.5Å; I595-S597 VanDerWaalsContact C-N 3.3Å; I595-S597 PolarHBondContact O-N 2.7Å; S597-K600 PolarHBondContact O-N 3.22Å; S597-R601 PolarHBondContact O-N 2.88Å
598	A	97.3	Very high	96.6	Very high	4 Å²	4	75.5 Å²	75.5	3%	0.033	39%	0.388	C	S	.	.	H	α-helix	trans	-62.2	-46.1	177.1	0	0	0	0	0	111.8	E594 I595 K600 R601 V602 L639 V731	E594-A598 PolarHBondContact O-N 2.81Å; I595-A598 PolarHBondContact O-N 2.81Å; A598-K600 VanDerWaalsContact C-N 3.32Å; A598-K600 PolarHBondContact O-N 3.47Å; A598-R601 WeakPolarHBondContact O-CB 3.3Å; A598-R601 PolarHBondContact O-N 2.84Å; A598-V602 WeakPolarHBondContact O-CG2 3.3Å; A598-V602 PolarHBondContact O-N 3.35Å; A598-L639 HydrophobicContact CB-CD1 4.5Å; A598-L639 HydrophobicContact CB-CD2 4.24Å; A598-V731 HydrophobicContact CB-CG2 4.04Å
599	I	97.5	Very high	96.5	Very high	41 Å²	41	75.3 Å²	75.3	21%	0.21	39%	0.387	C	S	.	.	H	α-helix	trans	-59.5	-44.3	175.4	-67.7	168.5	0	0	0	110.6	I595 R601 V602 S603 L639	I595-I599 HydrophobicContact CG2-CD1 3.78Å; I595-I599 HydrophobicContact CG2-CG1 4.47Å; I595-I599 WeakPolarHBondContact O-CG1 3.48Å; I595-I599 PolarHBondContact O-N 3.33Å; I599-R601 VanDerWaalsContact C-N 3.3Å; I599-R601 PolarHBondContact O-N 3Å; I599-V602 PolarHBondContact O-N 2.9Å; I599-S603 PolarHBondContact O-N 3.27Å; I599-S603 PolarHBondContact O-OG 3.15Å; I599-L639 HydrophobicContact CD1-CD2 4.47Å; I599-L639 HydrophobicContact CG1-CD2 3.97Å
600	K	97.8	Very high	96.5	Very high	159 Å²	159	77.6 Å²	77.6	69%	0.691	42%	0.417	S	S	*	.	H	α-helix	trans	-61.3	-38.4	178.4	-174.5	178.6	179.9	-179.4	0	112.4	T596 S597 A598 S603 K604	T596-K600 WeakPolarHBondContact O-CB 3.27Å; T596-K600 PolarHBondContact O-N 3.32Å; S597-K600 PolarHBondContact O-N 3.22Å; A598-K600 VanDerWaalsContact C-N 3.32Å; A598-K600 PolarHBondContact O-N 3.47Å; K600-S603 PolarHBondContact O-N 3.08Å; K600-K604 PolarHBondContact O-N 3.31Å
601	R	97.9	Very high	96.7	Very high	63 Å²	63	79.5 Å²	79.5	24%	0.238	41%	0.412	C	S	.	.	H	α-helix	trans	-62.1	-47.1	174.2	-79.2	-71.7	-53.9	-83.4	0.8	111.3	S597 A598 I599 S603 K604 F605 L734 D735 E738	S597-R601 PolarHBondContact O-N 2.88Å; A598-R601 WeakPolarHBondContact O-CB 3.3Å; A598-R601 PolarHBondContact O-N 2.84Å; I599-R601 VanDerWaalsContact C-N 3.3Å; I599-R601 PolarHBondContact O-N 3Å; R601-S603 PolarHBondContact O-N 3.45Å; R601-K604 WeakPolarHBondContact O-CB 3.43Å; R601-K604 PolarHBondContact O-N 3.24Å; R601-F605 PolarHBondContact O-N 2.89Å; R601-L734 HydrophobicContact CB-CD2 3.74Å; R601-D735 IonicContact CZ-OD1 2.64Å; R601-D735 IonicContact NH1-OD1 3.62Å; R601-D735 PolarHBondContact NH1-OD1 3Å; R601-D735 IonicContact NH2-OD1 2.67Å; R601-D735 PolarHBondContact NH2-OD1 3.05Å; R601-E738 IonicContact CZ-OE2 3.74Å; R601-E738 IonicContact NH2-OE1 3.95Å; R601-E738 IonicContact NH2-OE2 3.6Å; R601-E738 PolarHBondContact NH2-OE2 3.19Å
602	V	97.9	Very high	97	Very high	9 Å²	9	74.7 Å²	74.7	6%	0.055	39%	0.385	C	S	.	.	H	α-helix	trans	-62.3	-41.1	177.2	173.7	0	0	0	0	111.8	A598 I599 K604 F605 M606 P613 G640 F641 L734	A598-V602 WeakPolarHBondContact O-CG2 3.3Å; A598-V602 PolarHBondContact O-N 3.35Å; I599-V602 PolarHBondContact O-N 2.9Å; V602-K604 VanDerWaalsContact C-N 3.34Å; V602-K604 PolarHBondContact O-N 3.39Å; V602-F605 WeakPolarHBondContact O-CB 3.44Å; V602-F605 PolarHBondContact O-N 3.22Å; V602-M606 PolarHBondContact O-N 2.86Å; V602-P613 HydrophobicContact CG1-CG 3.9Å; V602-P613 HydrophobicContact CG2-CG 4.44Å; V602-G640 WeakPolarHBondContact CG1-O 3.5Å; V602-F641 HydrophobicContact CG2-CD2 3.95Å; V602-F641 HydrophobicContact CG2-CE2 3.55Å; V602-F641 HydrophobicContact CG2-CZ 4.4Å; V602-L734 HydrophobicContact CG2-CD2 4.3Å
603	S	97.7	Very high	97.1	Very high	49 Å²	49	73.3 Å²	73.3	34%	0.343	38%	0.375	S	S	.	.	H	α-helix	trans	-60.8	-43.2	174.2	-62.3	0	0	0	0	112	I599 K600 R601 F605 M606 E607	I599-S603 PolarHBondContact O-N 3.27Å; I599-S603 PolarHBondContact O-OG 3.15Å; K600-S603 PolarHBondContact O-N 3.08Å; R601-S603 PolarHBondContact O-N 3.45Å; S603-F605 VanDerWaalsContact C-N 3.35Å; S603-F605 PolarHBondContact O-N 3.46Å; S603-M606 WeakPolarHBondContact O-CB 3.23Å; S603-M606 PolarHBondContact O-N 3.09Å; S603-E607 WeakPolarHBondContact O-CG 3.33Å; S603-E607 PolarHBondContact O-N 2.91Å
604	K	98.1	Very high	97.3	Very high	126 Å²	126	67.6 Å²	67.6	55%	0.548	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-41	176.8	-174	-177.6	176.5	-168.8	0	111.8	K600 R601 V602 M606 E607 C608	K600-K604 PolarHBondContact O-N 3.31Å; R601-K604 WeakPolarHBondContact O-CB 3.43Å; R601-K604 PolarHBondContact O-N 3.24Å; V602-K604 VanDerWaalsContact C-N 3.34Å; V602-K604 PolarHBondContact O-N 3.39Å; K604-M606 VanDerWaalsContact C-N 3.3Å; K604-M606 PolarHBondContact O-N 3.05Å; K604-E607 WeakPolarHBondContact O-CB 3.43Å; K604-E607 PolarHBondContact O-N 3.25Å; K604-C608 PolarHBondContact O-N 3.35Å; K604-C608 PolarHBondContact O-SG 3.07Å
605	F	98.2	Very high	97.4	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-56.9	-46.8	173.2	179.5	-83.4	0	0	0	111.1	R601 V602 S603 E607 C608 E609 R611 P613 H665 L734 I737 E738 L741	R601-F605 PolarHBondContact O-N 2.89Å; V602-F605 WeakPolarHBondContact O-CB 3.44Å; V602-F605 PolarHBondContact O-N 3.22Å; S603-F605 VanDerWaalsContact C-N 3.35Å; S603-F605 PolarHBondContact O-N 3.46Å; F605-E607 VanDerWaalsContact C-N 3.31Å; F605-E607 PolarHBondContact O-N 3.01Å; F605-C608 PolarHBondContact O-N 3.44Å; F605-C608 VanDerWaalsContact O-N 3.15Å; F605-E609 HydrophobicContact CD1-CB 4.33Å; F605-E609 HydrophobicContact CD1-CG 4.31Å; F605-E609 HydrophobicContact CD2-CG 4.21Å; F605-E609 HydrophobicContact CE1-CB 3.93Å; F605-E609 HydrophobicContact CE1-CG 3.94Å; F605-E609 HydrophobicContact CE2-CG 3.84Å; F605-E609 HydrophobicContact CG-CG 4.44Å; F605-E609 HydrophobicContact CZ-CB 4.15Å; F605-E609 HydrophobicContact CZ-CG 3.7Å; F605-E609 WeakPolarHBondContact O-CB 3.44Å; F605-E609 PolarHBondContact O-N 3.2Å; F605-R611 WeakPolarHBondContact CD1-O 3.25Å; F605-P613 HydrophobicContact CD1-CB 3.97Å; F605-P613 HydrophobicContact CD1-CG 4.14Å; F605-P613 HydrophobicContact CE1-CB 3.82Å; F605-P613 HydrophobicContact CE1-CG 4.45Å; F605-P613 HydrophobicContact CG-CB 4.48Å; F605-P613 HydrophobicContact CZ-CB 4.21Å; F605-H665 AromaticContact CE1-CE1 4Å; F605-H665 AromaticContact CE1-NE2 3.88Å; F605-H665 AromaticContact CZ-CD2 3.98Å; F605-H665 AromaticContact CZ-CE1 3.97Å; F605-H665 AromaticContact CZ-NE2 3.49Å; F605-H665 WeakPolarHBondContact CZ-NE2 3.49Å; F605-L734 HydrophobicContact CB-CD1 3.93Å; F605-L734 HydrophobicContact CD2-CD1 3.51Å; F605-L734 HydrophobicContact CD2-CG 4.47Å; F605-L734 HydrophobicContact CE2-CD1 4.12Å; F605-L734 HydrophobicContact CG-CD1 3.74Å; F605-I737 HydrophobicContact CE2-CG2 3.84Å; F605-I737 HydrophobicContact CZ-CG2 4.02Å; F605-E738 HydrophobicContact CD2-CG 3.81Å; F605-E738 HydrophobicContact CE2-CG 4.16Å; F605-L741 HydrophobicContact CE2-CD1 4.02Å; F605-L741 HydrophobicContact CZ-CD1 4.11Å
606	M	97.6	Very high	97.5	Very high	87 Å²	87	64.5 Å²	64.5	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-36.1	178.1	-175.5	-177	68.1	0	0	113	V602 S603 K604 G610 R611 R612	V602-M606 PolarHBondContact O-N 2.86Å; S603-M606 WeakPolarHBondContact O-CB 3.23Å; S603-M606 PolarHBondContact O-N 3.09Å; K604-M606 VanDerWaalsContact C-N 3.3Å; K604-M606 PolarHBondContact O-N 3.05Å; M606-G610 VanDerWaalsContact O-CA 3.3Å; M606-G610 WeakPolarHBondContact O-CA 3.47Å; M606-G610 PolarHBondContact O-N 2.7Å; M606-R611 WeakPolarHBondContact CA-O 3.44Å; M606-R612 HydrophobicContact CG-CG 4.49Å; M606-R612 HydrophobicContact SD-CG 3.95Å
607	E	97	Very high	97.6	Very high	153 Å²	153	60.4 Å²	60.4	72%	0.715	31%	0.309	S	S	*	.	H	α-helix	trans	-65.3	-37.5	173.6	-71.5	169.1	-172.1	0	0	112.4	S603 K604 F605	S603-E607 WeakPolarHBondContact O-CG 3.33Å; S603-E607 PolarHBondContact O-N 2.91Å; K604-E607 WeakPolarHBondContact O-CB 3.43Å; K604-E607 PolarHBondContact O-N 3.25Å; F605-E607 VanDerWaalsContact C-N 3.31Å; F605-E607 PolarHBondContact O-N 3.01Å
608	C	94.7	Very high	97.6	Very high	90 Å²	90	57 Å²	57	61%	0.608	29%	0.285	S	S	*	.	H	α-helix	trans	-78.2	-45.2	179.9	-68.7	0	0	0	0	113.1	K604 F605	K604-C608 PolarHBondContact O-N 3.35Å; K604-C608 PolarHBondContact O-SG 3.07Å; F605-C608 PolarHBondContact O-N 3.44Å; F605-C608 VanDerWaalsContact O-N 3.15Å
609	E	95.6	Very high	97.7	Very high	69 Å²	69	57 Å²	57	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-98.1	-5.7	-171	-61.8	-59.6	135.7	0	0	113.3	F605 R611 L741	F605-E609 HydrophobicContact CD1-CB 4.33Å; F605-E609 HydrophobicContact CD1-CG 4.31Å; F605-E609 HydrophobicContact CD2-CG 4.21Å; F605-E609 HydrophobicContact CE1-CB 3.93Å; F605-E609 HydrophobicContact CE1-CG 3.94Å; F605-E609 HydrophobicContact CE2-CG 3.84Å; F605-E609 HydrophobicContact CG-CG 4.44Å; F605-E609 HydrophobicContact CZ-CB 4.15Å; F605-E609 HydrophobicContact CZ-CG 3.7Å; F605-E609 WeakPolarHBondContact O-CB 3.44Å; F605-E609 PolarHBondContact O-N 3.2Å; E609-R611 PolarHBondContact O-N 3.47Å; E609-L741 HydrophobicContact CG-CD1 4.19Å
610	G	96.8	Very high	97.6	Very high	69 Å²	69	55.6 Å²	55.6	71%	0.711	28%	0.277	S	S	*	.	S	Bend	trans	71	5.7	-179.6	0	0	0	0	0	114.8	M606	M606-G610 VanDerWaalsContact O-CA 3.3Å; M606-G610 WeakPolarHBondContact O-CA 3.47Å; M606-G610 PolarHBondContact O-N 2.7Å
611	R	97.8	Very high	97.5	Very high	78 Å²	78	48.2 Å²	48.2	29%	0.294	25%	0.246	S	C	.	.	S	Bend	trans	-151.5	159.3	178.6	65.2	178.1	-173.2	138	-10.2	111.6	F605 M606 E609 D663 H665	F605-R611 WeakPolarHBondContact CD1-O 3.25Å; M606-R611 WeakPolarHBondContact CA-O 3.44Å; E609-R611 PolarHBondContact O-N 3.47Å; R611-D663 IonicContact CZ-OD2 3.48Å; R611-D663 PolarHBondContact NH1-O 3.4Å; R611-D663 IonicContact NH1-OD2 3.61Å; R611-D663 IonicContact NH2-OD2 3.46Å; R611-H665 PolarHBondContact NE-CE1 2.93Å; R611-H665 PolarHBondContact NE-NE2 3.19Å; R611-H665 PolarHBondContact NH1-CE1 2.72Å; R611-H665 VanDerWaalsContact NH1-CE1 3.32Å; R611-H665 PolarHBondContact NH2-CD2 2.97Å; R611-H665 VanDerWaalsContact NH2-CD2 3.31Å; R611-H665 PolarHBondContact NH2-CE1 2.84Å; R611-H665 PolarHBondContact NH2-NE2 2.8Å
612	R	98.3	Very high	97.5	Very high	107 Å²	107	45.2 Å²	45.2	40%	0.404	23%	0.234	S	C	.	.			trans	-66.1	150.7	173.6	-71	177.5	-70.2	146.6	6.4	110.8	M606 R614 G640 F641 D642 H665	M606-R612 HydrophobicContact CG-CG 4.49Å; M606-R612 HydrophobicContact SD-CG 3.95Å; R612-R614 PolarHBondContact O-N 3.47Å; R612-G640 VanDerWaalsContact CD-O 3.25Å; R612-G640 WeakPolarHBondContact CD-O 3.26Å; R612-F641 PolarHBondContact NH1-O 2.84Å; R612-D642 HydrophobicContact CB-CB 4.1Å; R612-D642 IonicContact CZ-OD1 3.52Å; R612-D642 VanDerWaalsContact CZ-OD1 3.29Å; R612-D642 IonicContact NH1-OD1 2.73Å; R612-D642 PolarHBondContact NH1-OD1 3.27Å; R612-D642 IonicContact NH2-OD1 3.37Å; R612-D642 PolarHBondContact NH2-OD1 2.94Å; R612-D642 IonicContact NH2-OD2 3.33Å; R612-D642 PolarHBondContact NH2-OD2 3.49Å; R612-H665 PolarHBondContact O-CE1 3.07Å
613	P	98.4	Very high	97.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.			trans	-62.7	129.3	168.1	28.8	-32.3	0	0	0	108.2	V602 F605 F641 D642 L734	V602-P613 HydrophobicContact CG1-CG 3.9Å; V602-P613 HydrophobicContact CG2-CG 4.44Å; F605-P613 HydrophobicContact CD1-CB 3.97Å; F605-P613 HydrophobicContact CD1-CG 4.14Å; F605-P613 HydrophobicContact CE1-CB 3.82Å; F605-P613 HydrophobicContact CE1-CG 4.45Å; F605-P613 HydrophobicContact CG-CB 4.48Å; F605-P613 HydrophobicContact CZ-CB 4.21Å; P613-F641 HydrophobicContact CB-CD1 3.76Å; P613-F641 HydrophobicContact CB-CE1 3.63Å; P613-F641 HydrophobicContact CB-CG 4.49Å; P613-F641 HydrophobicContact CB-CZ 4.26Å; P613-F641 HydrophobicContact CG-CD1 3.63Å; P613-F641 HydrophobicContact CG-CD2 4.15Å; P613-F641 HydrophobicContact CG-CE1 3.68Å; P613-F641 HydrophobicContact CG-CE2 4.17Å; P613-F641 HydrophobicContact CG-CG 3.88Å; P613-F641 HydrophobicContact CG-CZ 3.95Å; P613-F641 WeakPolarHBondContact O-CA 3.37Å; P613-F641 WeakPolarHBondContact O-CD1 3.47Å; P613-D642 PolarHBondContact O-N 3.47Å; P613-L734 HydrophobicContact CB-CD1 3.89Å; P613-L734 HydrophobicContact CG-CD1 4Å
614	R	98.6	Very high	97.2	Very high	75 Å²	75	42.9 Å²	42.9	28%	0.283	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.8	-170.8	-172.5	177	-77.8	174.9	-8.7	110.8	R612 D642 A662 V664 H665 A666	R612-R614 PolarHBondContact O-N 3.47Å; R614-D642 CarbonylContact C-O 3.59Å; R614-D642 VanDerWaalsContact CA-O 3.24Å; R614-D642 WeakPolarHBondContact CA-O 3.31Å; R614-D642 HydrophobicContact CB-CB 4.23Å; R614-D642 HydrophobicContact CG-CB 4.15Å; R614-D642 IonicContact CZ-OD2 3.2Å; R614-D642 IonicContact NE-OD2 2.65Å; R614-D642 PolarHBondContact NE-OD2 3.43Å; R614-D642 IonicContact NH2-OD2 2.83Å; R614-D642 PolarHBondContact NH2-OD2 3.46Å; R614-A662 WeakPolarHBondContact CD-O 3.36Å; R614-A662 PolarHBondContact NH1-O 2.94Å; R614-V664 HydrophobicContact CG-CB 4.28Å; R614-V664 HydrophobicContact CG-CG1 3.94Å; R614-H665 PolarHBondContact N-ND1 3.49Å; R614-H665 PolarHBondContact O-N 3.44Å; R614-A666 PolarHBondContact O-N 2.86Å
615	L	98.6	Very high	97	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.7	-175	178.5	68.9	0	0	0	110.1	V617 F636 F641 D642 V643 D644 A666	L615-V617 HydrophobicContact CD2-CG2 3.82Å; L615-V617 HydrophobicContact CG-CG2 4.06Å; L615-F636 HydrophobicContact CD2-CD1 3.7Å; L615-F636 HydrophobicContact CD2-CE1 3.9Å; L615-F636 HydrophobicContact CD2-CG 4.38Å; L615-F641 HydrophobicContact CB-CD1 4.5Å; L615-D642 PolarHBondContact N-O 3.07Å; L615-V643 WeakPolarHBondContact O-CA 3.36Å; L615-D644 PolarHBondContact O-N 3.2Å; L615-A666 WeakPolarHBondContact CA-O 3.45Å; L615-A666 HydrophobicContact CD1-CB 3.92Å
616	L	98.7	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.7	164.6	175.1	62.3	0	0	0	109.1	A618 D644 V655 Q658 A659 V664 A666 V667 G668	L616-A618 HydrophobicContact CG-CB 4.32Å; L616-D644 CarbonylContact C-O 3.56Å; L616-D644 WeakPolarHBondContact CA-O 3.39Å; L616-D644 HydrophobicContact CD1-CB 3.81Å; L616-V655 HydrophobicContact CD2-CG1 4.05Å; L616-Q658 HydrophobicContact CD1-CG 4.29Å; L616-Q658 HydrophobicContact CD2-CB 4.28Å; L616-Q658 HydrophobicContact CD2-CG 4.13Å; L616-A659 HydrophobicContact CD2-CB 3.86Å; L616-V664 HydrophobicContact CB-CB 4.47Å; L616-V664 HydrophobicContact CB-CG1 3.97Å; L616-V664 HydrophobicContact CB-CG2 4.22Å; L616-A666 PolarHBondContact N-O 3.07Å; L616-V667 HydrophobicContact CB-CG2 4.43Å; L616-V667 HydrophobicContact CD2-CG1 4.41Å; L616-V667 HydrophobicContact CD2-CG2 4.36Å; L616-V667 CarbonylContact O-C 3.58Å; L616-V667 WeakPolarHBondContact O-CA 3.39Å; L616-G668 PolarHBondContact O-N 2.88Å
617	V	98.3	Very high	96.7	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.9	170.8	-177	0	0	0	0	108.4	L615 A629 I632 A633 V643 D644 G646 G668	L615-V617 HydrophobicContact CD2-CG2 3.82Å; L615-V617 HydrophobicContact CG-CG2 4.06Å; V617-A629 HydrophobicContact CG1-CB 3.77Å; V617-I632 HydrophobicContact CG2-CG2 4.26Å; V617-A633 HydrophobicContact CG2-CB 4.33Å; V617-V643 HydrophobicContact CG2-CG1 3.89Å; V617-D644 PolarHBondContact N-O 3Å; V617-G646 PolarHBondContact O-N 3.19Å; V617-G668 CarbonylContact C-O 3.56Å; V617-G668 WeakPolarHBondContact CA-O 3.39Å
618	A	97.9	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.6	-169.2	0	0	0	0	0	113.3	L616 V655 V667 G668 S670	L616-A618 HydrophobicContact CG-CB 4.32Å; A618-V655 HydrophobicContact CB-CG1 3.63Å; A618-V655 HydrophobicContact CB-CG2 4.12Å; A618-V667 HydrophobicContact CB-CG1 3.99Å; A618-G668 PolarHBondContact N-O 2.82Å; A618-S670 PolarHBondContact O-N 2.74Å
619	K	97.5	Very high	96.7	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.026	16%	0.16	C	C	.	.			trans	-111.2	135.3	165.6	-63.5	-62.3	-58	-176.9	0	108.2	D623 H625 A629 L648 S670	K619-D623 VanDerWaalsContact CE-O 3.31Å; K619-D623 WeakPolarHBondContact CE-O 3.48Å; K619-D623 VanDerWaalsContact NZ-CG 3.29Å; K619-D623 IonicContact NZ-OD1 3.8Å; K619-D623 IonicContact NZ-OD2 3.02Å; K619-D623 PolarHBondContact NZ-OD2 2.96Å; K619-H625 WeakPolarHBondContact CE-O 3.45Å; K619-H625 PolarHBondContact NZ-O 3.48Å; K619-A629 HydrophobicContact CD-CB 4.23Å; K619-L648 HydrophobicContact CB-CD2 4.2Å; K619-L648 HydrophobicContact CG-CD2 3.96Å; K619-S670 WeakPolarHBondContact CD-O 3.32Å; K619-S670 VanDerWaalsContact CE-O 3.29Å; K619-S670 WeakPolarHBondContact CE-O 3.45Å; K619-S670 PolarHBondContact NZ-O 3.37Å
620	M	96.7	Very high	96.7	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.049	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-125	152.7	177.8	-69.6	-170.5	-67.4	0	0	111.1	Q650 P652 V655 V669 L679 V680 L683	M620-Q650 WeakPolarHBondContact CA-O 3.44Å; M620-P652 HydrophobicContact SD-CB 3.92Å; M620-P652 HydrophobicContact SD-CG 3.94Å; M620-V655 HydrophobicContact CG-CB 4.43Å; M620-V655 HydrophobicContact CG-CG2 3.67Å; M620-V655 HydrophobicContact SD-CB 4.44Å; M620-V655 HydrophobicContact SD-CG2 4.29Å; M620-V669 HydrophobicContact CE-CB 4.27Å; M620-V669 HydrophobicContact CE-CG1 3.52Å; M620-V669 HydrophobicContact CE-CG2 3.7Å; M620-L679 HydrophobicContact CB-CB 4.31Å; M620-L679 HydrophobicContact CB-CD1 4.05Å; M620-L679 HydrophobicContact CE-CB 4.07Å; M620-L679 HydrophobicContact SD-CB 4.49Å; M620-V680 HydrophobicContact CE-CG2 4.16Å; M620-L683 HydrophobicContact CE-CB 4.11Å; M620-L683 HydrophobicContact CE-CD2 3.89Å; M620-L683 HydrophobicContact SD-CB 3.95Å; M620-L683 HydrophobicContact SD-CD2 4.08Å; M620-L683 HydrophobicContact SD-CG 4.4Å
621	G	96.3	Very high	96.7	Very high	4 Å²	4	24.6 Å²	24.6	4%	0.041	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-152.2	-178.9	0	0	0	0	0	111.5	D623 F649 Q650	G621-D623 VanDerWaalsContact C-N 3.33Å; G621-F649 VanDerWaalsContact O-CA 3.28Å; G621-F649 WeakPolarHBondContact O-CA 3.48Å; G621-Q650 PolarHBondContact N-O 2.82Å; G621-Q650 VanDerWaalsContact N-O 3.07Å
622	Q	96.8	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.5	-177.7	-60	-54.2	-71.9	0	0	113.8	L138 R142 V151 D154 G624	L138-Q622 HydrophobicContact CB-CB 3.6Å; L138-Q622 HydrophobicContact CD1-CB 4.36Å; R142-Q622 VanDerWaalsContact CD-OE1 3.31Å; V151-Q622 HydrophobicContact CB-CG 4.27Å; V151-Q622 HydrophobicContact CG1-CG 3.58Å; D154-Q622 HydrophobicContact CB-CB 4.32Å; D154-Q622 HydrophobicContact CB-CG 4.33Å; D154-Q622 PolarHBondContact OD1-N 3.03Å; D154-Q622 PolarHBondContact OD2-N 3.25Å; Q622-G624 PolarHBondContact O-N 3.38Å; Q622-G624 VanDerWaalsContact O-N 3.1Å
623	D	94.9	Very high	96.6	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	10%	0.095	C	C	.	.			trans	-66.1	107.8	-175.9	-174.1	8.5	0	0	0	112.7	K619 G621 H625 L672 A673	K619-D623 VanDerWaalsContact CE-O 3.31Å; K619-D623 WeakPolarHBondContact CE-O 3.48Å; K619-D623 VanDerWaalsContact NZ-CG 3.29Å; K619-D623 IonicContact NZ-OD1 3.8Å; K619-D623 IonicContact NZ-OD2 3.02Å; K619-D623 PolarHBondContact NZ-OD2 2.96Å; G621-D623 VanDerWaalsContact C-N 3.33Å; D623-H625 WeakPolarHBondContact OD1-CB 3.07Å; D623-H625 IonicContact OD1-CE1 2.82Å; D623-H625 IonicContact OD1-CG 3.84Å; D623-H625 PolarHBondContact OD1-N 3.3Å; D623-H625 IonicContact OD1-ND1 3.71Å; D623-H625 PolarHBondContact OD1-ND1 3.17Å; D623-L672 PolarHBondContact OD2-N 3.03Å; D623-A673 HydrophobicContact CB-CB 3.75Å
624	G	94.1	Very high	96.5	Very high	5 Å²	5	18.3 Å²	18.3	5%	0.052	10%	0.096	C	C	.	.			trans	-84.7	-5.4	178.4	0	0	0	0	0	115	N227 Q622 D626	N227-G624 PolarHBondContact ND2-O 2.95Å; Q622-G624 PolarHBondContact O-N 3.38Å; Q622-G624 VanDerWaalsContact O-N 3.1Å; G624-D626 PolarHBondContact O-N 3.33Å; G624-D626 VanDerWaalsContact O-N 3.13Å
625	H	93.5	Very high	96.4	Very high	104 Å²	104	14.7 Å²	14.7	48%	0.481	8%	0.083	S	C	.	.			trans	-72.9	108.6	-177.9	-58.5	90.8	0	0	0	110.8	K619 D623 L672	K619-H625 WeakPolarHBondContact CE-O 3.45Å; K619-H625 PolarHBondContact NZ-O 3.48Å; D623-H625 WeakPolarHBondContact OD1-CB 3.07Å; D623-H625 IonicContact OD1-CE1 2.82Å; D623-H625 IonicContact OD1-CG 3.84Å; D623-H625 PolarHBondContact OD1-N 3.3Å; D623-H625 IonicContact OD1-ND1 3.71Å; D623-H625 PolarHBondContact OD1-ND1 3.17Å; H625-L672 HydrophobicContact CB-CB 3.95Å; H625-L672 HydrophobicContact CB-CD1 4.32Å; H625-L672 HydrophobicContact CB-CD2 3.92Å; H625-L672 HydrophobicContact CB-CG 4.29Å
626	D	95	Very high	96.4	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.053	8%	0.082	C	C	.	.			trans	-114.6	-11.7	-173.9	64.1	1.7	0	0	0	114.2	N227 K463 G624 G628 A629 K630	N227-D626 PolarHBondContact ND2-OD2 2.85Å; K463-D626 IonicContact NZ-OD2 3.54Å; K463-D626 PolarHBondContact NZ-OD2 3.03Å; G624-D626 PolarHBondContact O-N 3.33Å; G624-D626 VanDerWaalsContact O-N 3.13Å; D626-G628 PolarHBondContact O-N 2.78Å; D626-A629 WeakPolarHBondContact O-CB 3.48Å; D626-A629 PolarHBondContact O-N 3.2Å; D626-A629 VanDerWaalsContact O-N 3.09Å; D626-K630 HydrophobicContact CB-CG 4.26Å; D626-K630 WeakPolarHBondContact O-CB 3.43Å; D626-K630 WeakPolarHBondContact O-CG 3.33Å; D626-K630 PolarHBondContact O-N 3.39Å
627	R	95.8	Very high	96.3	Very high	31 Å²	31	16 Å²	16	12%	0.117	9%	0.093	C	C	.	.	H	α-helix	trans	-48.7	-54.1	-179.3	-179.8	-177.7	175.9	176.9	-6.9	113	E266 A267 W354 A470 K630 V631	E266-R627 VanDerWaalsContact O-CD 3.24Å; E266-R627 WeakPolarHBondContact O-CD 3.46Å; E266-R627 PolarHBondContact O-NH1 2.93Å; A267-R627 WeakPolarHBondContact O-CD 3.46Å; W354-R627 VanDerWaalsContact CD1-CZ 3.44Å; W354-R627 VanDerWaalsContact CD2-NH1 3.32Å; W354-R627 VanDerWaalsContact CE2-CZ 3.46Å; W354-R627 VanDerWaalsContact NE1-NH1 3.2Å; A470-R627 HydrophobicContact CB-CG 4.2Å; R627-K630 PolarHBondContact O-N 3.06Å; R627-V631 WeakPolarHBondContact O-CB 3.47Å; R627-V631 VanDerWaalsContact O-CG2 3.29Å; R627-V631 WeakPolarHBondContact O-CG2 3.42Å; R627-V631 PolarHBondContact O-N 3.3Å
628	G	94.5	Very high	96.2	Very high	36 Å²	36	16.4 Å²	16.4	37%	0.371	10%	0.095	S	C	.	.	H	α-helix	trans	-62.7	-44	-179.9	0	0	0	0	0	112.4	D626 V631 I632	D626-G628 PolarHBondContact O-N 2.78Å; G628-V631 PolarHBondContact O-N 3.37Å; G628-I632 WeakPolarHBondContact O-CB 3.43Å; G628-I632 VanDerWaalsContact O-CG1 3.29Å; G628-I632 WeakPolarHBondContact O-CG1 3.37Å; G628-I632 PolarHBondContact O-N 3.44Å
629	A	96.2	Very high	96.2	Very high	6 Å²	6	16.6 Å²	16.6	5%	0.05	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-46.8	177	0	0	0	0	0	112.1	V617 K619 D626 I632 A633	V617-A629 HydrophobicContact CG1-CB 3.77Å; K619-A629 HydrophobicContact CD-CB 4.23Å; D626-A629 WeakPolarHBondContact O-CB 3.48Å; D626-A629 PolarHBondContact O-N 3.2Å; D626-A629 VanDerWaalsContact O-N 3.09Å; A629-I632 PolarHBondContact O-N 3.05Å; A629-A633 WeakPolarHBondContact O-CB 3.41Å; A629-A633 PolarHBondContact O-N 3.25Å
630	K	96	Very high	96.2	Very high	20 Å²	20	17.6 Å²	17.6	9%	0.087	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-40.5	179.5	-66.6	-61.1	-169.4	83.7	0	112.3	E467 D578 D626 R627 A633 T634 I645	E467-K630 IonicContact OE1-NZ 2.76Å; E467-K630 PolarHBondContact OE1-NZ 2.95Å; E467-K630 IonicContact OE2-NZ 3.9Å; D578-K630 IonicContact OD2-NZ 3.59Å; D578-K630 PolarHBondContact OD2-NZ 3.42Å; D626-K630 HydrophobicContact CB-CG 4.26Å; D626-K630 WeakPolarHBondContact O-CB 3.43Å; D626-K630 WeakPolarHBondContact O-CG 3.33Å; D626-K630 PolarHBondContact O-N 3.39Å; R627-K630 PolarHBondContact O-N 3.06Å; K630-A633 PolarHBondContact O-N 3.43Å; K630-T634 WeakPolarHBondContact O-CG2 3.24Å; K630-T634 PolarHBondContact O-N 3.03Å; K630-I645 HydrophobicContact CD-CD1 4.12Å; K630-I645 HydrophobicContact CD-CG2 4.46Å
631	V	96.7	Very high	96.3	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-66.3	-41	176.5	166.2	0	0	0	0	111.5	A470 Q474 R627 G628 T634 G635 I726	A470-V631 HydrophobicContact CB-CG2 3.93Å; Q474-V631 HydrophobicContact CB-CG1 3.61Å; Q474-V631 HydrophobicContact CG-CG1 3.57Å; R627-V631 WeakPolarHBondContact O-CB 3.47Å; R627-V631 VanDerWaalsContact O-CG2 3.29Å; R627-V631 WeakPolarHBondContact O-CG2 3.42Å; R627-V631 PolarHBondContact O-N 3.3Å; G628-V631 PolarHBondContact O-N 3.37Å; V631-T634 WeakPolarHBondContact O-CG2 3.35Å; V631-G635 PolarHBondContact O-N 3.38Å; V631-I726 HydrophobicContact CG1-CD1 3.74Å
632	I	97.1	Very high	96.4	Very high	49 Å²	49	18.5 Å²	18.5	25%	0.251	11%	0.112	S	C	.	.	H	α-helix	trans	-62.9	-45.9	171.8	-72.4	-70.5	0	0	0	110.5	V617 G628 A629 T634 G635 F636 I726	V617-I632 HydrophobicContact CG2-CG2 4.26Å; G628-I632 WeakPolarHBondContact O-CB 3.43Å; G628-I632 VanDerWaalsContact O-CG1 3.29Å; G628-I632 WeakPolarHBondContact O-CG1 3.37Å; G628-I632 PolarHBondContact O-N 3.44Å; A629-I632 PolarHBondContact O-N 3.05Å; I632-T634 PolarHBondContact O-N 3.17Å; I632-G635 PolarHBondContact O-N 3.46Å; I632-F636 HydrophobicContact CD1-CE2 4.12Å; I632-F636 HydrophobicContact CG2-CD2 3.9Å; I632-F636 HydrophobicContact CG2-CE2 3.99Å; I632-F636 HydrophobicContact CG2-CG 4.46Å; I632-F636 WeakPolarHBondContact O-CB 3.34Å; I632-F636 WeakPolarHBondContact O-CD2 3.49Å; I632-F636 PolarHBondContact O-N 3.41Å; I632-I726 HydrophobicContact CD1-CG1 4.12Å
633	A	96.7	Very high	96.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.5	-49.9	-178.3	0	0	0	0	0	112.2	V617 A629 K630 A637 V643 I645	V617-A633 HydrophobicContact CG2-CB 4.33Å; A629-A633 WeakPolarHBondContact O-CB 3.41Å; A629-A633 PolarHBondContact O-N 3.25Å; K630-A633 PolarHBondContact O-N 3.43Å; A633-A637 VanDerWaalsContact O-CB 3.28Å; A633-A637 WeakPolarHBondContact O-CB 3.28Å; A633-A637 PolarHBondContact O-N 3.4Å; A633-V643 HydrophobicContact CB-CG1 3.77Å; A633-I645 HydrophobicContact CB-CD1 3.79Å; A633-I645 HydrophobicContact CB-CG1 3.85Å
634	T	95.9	Very high	96.5	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-40.1	177.6	-167.3	0	0	0	0	111.9	A471 V581 K630 V631 I632 A637 D638	A471-T634 HydrophobicContact CB-CG2 4.05Å; V581-T634 WeakPolarHBondContact O-CB 3.41Å; V581-T634 PolarHBondContact O-OG1 3.44Å; K630-T634 WeakPolarHBondContact O-CG2 3.24Å; K630-T634 PolarHBondContact O-N 3.03Å; V631-T634 WeakPolarHBondContact O-CG2 3.35Å; I632-T634 PolarHBondContact O-N 3.17Å; T634-A637 PolarHBondContact O-N 3.3Å; T634-D638 WeakPolarHBondContact O-CB 3.42Å; T634-D638 PolarHBondContact O-N 3.06Å
635	G	97.3	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.1	-41.7	179	0	0	0	0	0	113.2	V631 I632 D638 L639	V631-G635 PolarHBondContact O-N 3.38Å; I632-G635 PolarHBondContact O-N 3.46Å; G635-D638 PolarHBondContact O-N 3.22Å; G635-L639 VanDerWaalsContact O-CG 3.31Å; G635-L639 WeakPolarHBondContact O-CG 3.49Å; G635-L639 PolarHBondContact O-N 3.49Å
636	F	98.3	Very high	96.7	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-69.3	-39.9	175.8	-86.9	-126.5	0	0	0	111.4	L615 I632 D638 L639 G640 F641 V643 I726 A729 A730 V733	L615-F636 HydrophobicContact CD2-CD1 3.7Å; L615-F636 HydrophobicContact CD2-CE1 3.9Å; L615-F636 HydrophobicContact CD2-CG 4.38Å; I632-F636 HydrophobicContact CD1-CE2 4.12Å; I632-F636 HydrophobicContact CG2-CD2 3.9Å; I632-F636 HydrophobicContact CG2-CE2 3.99Å; I632-F636 HydrophobicContact CG2-CG 4.46Å; I632-F636 WeakPolarHBondContact O-CB 3.34Å; I632-F636 WeakPolarHBondContact O-CD2 3.49Å; I632-F636 PolarHBondContact O-N 3.41Å; F636-D638 VanDerWaalsContact C-N 3.34Å; F636-D638 PolarHBondContact O-N 3.42Å; F636-L639 PolarHBondContact O-N 3.22Å; F636-L639 VanDerWaalsContact O-N 3.12Å; F636-G640 PolarHBondContact O-N 2.62Å; F636-F641 HydrophobicContact CB-CB 4.09Å; F636-F641 HydrophobicContact CB-CD2 4.32Å; F636-F641 HydrophobicContact CB-CG 4.2Å; F636-F641 AromaticContact CD1-CD1 3.83Å; F636-F641 HydrophobicContact CD1-CD1 3.83Å; F636-F641 AromaticContact CD1-CD2 3.94Å; F636-F641 HydrophobicContact CD1-CD2 3.94Å; F636-F641 AromaticContact CD1-CE1 3.93Å; F636-F641 HydrophobicContact CD1-CE1 3.93Å; F636-F641 HydrophobicContact CD1-CE2 4.06Å; F636-F641 AromaticContact CD1-CG 3.84Å; F636-F641 HydrophobicContact CD1-CG 3.84Å; F636-F641 HydrophobicContact CD1-CZ 4.05Å; F636-F641 HydrophobicContact CE1-CE1 4.17Å; F636-F641 HydrophobicContact CE1-CE2 4.46Å; F636-F641 HydrophobicContact CE1-CZ 4.15Å; F636-F641 HydrophobicContact CG-CD2 4.43Å; F636-F641 HydrophobicContact CG-CG 4.46Å; F636-F641 WeakPolarHBondContact O-CB 3.35Å; F636-F641 PolarHBondContact O-N 3.14Å; F636-F641 VanDerWaalsContact O-N 3.07Å; F636-V643 HydrophobicContact CB-CG2 3.89Å; F636-I726 HydrophobicContact CD2-CG2 3.79Å; F636-I726 HydrophobicContact CE2-CG2 3.92Å; F636-A729 HydrophobicContact CE2-CB 4.36Å; F636-A729 HydrophobicContact CZ-CB 4.2Å; F636-A730 HydrophobicContact CD1-CB 4.42Å; F636-A730 HydrophobicContact CD2-CB 4.4Å; F636-A730 HydrophobicContact CE1-CB 4.07Å; F636-A730 HydrophobicContact CE2-CB 4.04Å; F636-A730 VanDerWaalsContact CZ-CA 3.42Å; F636-A730 HydrophobicContact CZ-CB 3.87Å; F636-V733 HydrophobicContact CE1-CB 4.21Å; F636-V733 HydrophobicContact CE1-CG1 4.37Å; F636-V733 HydrophobicContact CE1-CG2 4.18Å; F636-V733 HydrophobicContact CZ-CG2 4.26Å
637	A	97.3	Very high	96.7	Very high	28 Å²	28	22.3 Å²	22.3	23%	0.231	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-43.2	174.3	0	0	0	0	0	111.6	A633 T634 L639 G640 V643	A633-A637 VanDerWaalsContact O-CB 3.28Å; A633-A637 WeakPolarHBondContact O-CB 3.28Å; A633-A637 PolarHBondContact O-N 3.4Å; T634-A637 PolarHBondContact O-N 3.3Å; A637-L639 PolarHBondContact O-N 2.7Å; A637-G640 PolarHBondContact O-N 3.27Å; A637-V643 HydrophobicContact CB-CG2 4.29Å
638	D	96.7	Very high	96.6	Very high	16 Å²	16	22.4 Å²	22.4	9%	0.086	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-25.2	175.5	-84.4	4.1	0	0	0	113.3	G583 R586 T634 G635 F636	G583-D638 VanDerWaalsContact CA-OD1 3.26Å; G583-D638 WeakPolarHBondContact CA-OD1 3.35Å; G583-D638 WeakPolarHBondContact CA-OD2 3.4Å; G583-D638 PolarHBondContact N-OD1 3.32Å; R586-D638 HydrophobicContact CB-CB 4.01Å; R586-D638 WeakPolarHBondContact CB-OD2 3.32Å; R586-D638 PolarHBondContact N-OD2 2.94Å; T634-D638 WeakPolarHBondContact O-CB 3.42Å; T634-D638 PolarHBondContact O-N 3.06Å; G635-D638 PolarHBondContact O-N 3.22Å; F636-D638 VanDerWaalsContact C-N 3.34Å; F636-D638 PolarHBondContact O-N 3.42Å
639	L	97.3	Very high	96.7	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-6	176	-65.3	175.9	0	0	0	113.8	I595 A598 I599 G635 F636 A637 I726 A730	I595-L639 HydrophobicContact CD1-CD2 3.88Å; I595-L639 HydrophobicContact CG2-CD2 3.96Å; A598-L639 HydrophobicContact CB-CD1 4.5Å; A598-L639 HydrophobicContact CB-CD2 4.24Å; I599-L639 HydrophobicContact CD1-CD2 4.47Å; I599-L639 HydrophobicContact CG1-CD2 3.97Å; G635-L639 VanDerWaalsContact O-CG 3.31Å; G635-L639 WeakPolarHBondContact O-CG 3.49Å; G635-L639 PolarHBondContact O-N 3.49Å; F636-L639 PolarHBondContact O-N 3.22Å; F636-L639 VanDerWaalsContact O-N 3.12Å; A637-L639 PolarHBondContact O-N 2.7Å; L639-I726 HydrophobicContact CD1-CG2 4.29Å; L639-A730 HydrophobicContact CD1-CB 3.59Å
640	G	97.3	Very high	96.7	Very high	26 Å²	26	22.6 Å²	22.6	27%	0.268	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	105	7.6	174.2	0	0	0	0	0	115.7	V602 R612 F636 A637	V602-G640 WeakPolarHBondContact CG1-O 3.5Å; R612-G640 VanDerWaalsContact CD-O 3.25Å; R612-G640 WeakPolarHBondContact CD-O 3.26Å; F636-G640 PolarHBondContact O-N 2.62Å; A637-G640 PolarHBondContact O-N 3.27Å
641	F	98.4	Very high	96.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	14%	0.139	C	C	.	.			trans	-67.4	155.8	170.1	-78.2	-111.4	0	0	0	110.9	V602 R612 P613 L615 F636 V643 A730 V733 L734	V602-F641 HydrophobicContact CG2-CD2 3.95Å; V602-F641 HydrophobicContact CG2-CE2 3.55Å; V602-F641 HydrophobicContact CG2-CZ 4.4Å; R612-F641 PolarHBondContact NH1-O 2.84Å; P613-F641 HydrophobicContact CB-CD1 3.76Å; P613-F641 HydrophobicContact CB-CE1 3.63Å; P613-F641 HydrophobicContact CB-CG 4.49Å; P613-F641 HydrophobicContact CB-CZ 4.26Å; P613-F641 HydrophobicContact CG-CD1 3.63Å; P613-F641 HydrophobicContact CG-CD2 4.15Å; P613-F641 HydrophobicContact CG-CE1 3.68Å; P613-F641 HydrophobicContact CG-CE2 4.17Å; P613-F641 HydrophobicContact CG-CG 3.88Å; P613-F641 HydrophobicContact CG-CZ 3.95Å; P613-F641 WeakPolarHBondContact O-CA 3.37Å; P613-F641 WeakPolarHBondContact O-CD1 3.47Å; L615-F641 HydrophobicContact CB-CD1 4.5Å; F636-F641 HydrophobicContact CB-CB 4.09Å; F636-F641 HydrophobicContact CB-CD2 4.32Å; F636-F641 HydrophobicContact CB-CG 4.2Å; F636-F641 AromaticContact CD1-CD1 3.83Å; F636-F641 HydrophobicContact CD1-CD1 3.83Å; F636-F641 AromaticContact CD1-CD2 3.94Å; F636-F641 HydrophobicContact CD1-CD2 3.94Å; F636-F641 AromaticContact CD1-CE1 3.93Å; F636-F641 HydrophobicContact CD1-CE1 3.93Å; F636-F641 HydrophobicContact CD1-CE2 4.06Å; F636-F641 AromaticContact CD1-CG 3.84Å; F636-F641 HydrophobicContact CD1-CG 3.84Å; F636-F641 HydrophobicContact CD1-CZ 4.05Å; F636-F641 HydrophobicContact CE1-CE1 4.17Å; F636-F641 HydrophobicContact CE1-CE2 4.46Å; F636-F641 HydrophobicContact CE1-CZ 4.15Å; F636-F641 HydrophobicContact CG-CD2 4.43Å; F636-F641 HydrophobicContact CG-CG 4.46Å; F636-F641 WeakPolarHBondContact O-CB 3.35Å; F636-F641 PolarHBondContact O-N 3.14Å; F636-F641 VanDerWaalsContact O-N 3.07Å; F641-V643 HydrophobicContact CB-CG2 3.81Å; F641-A730 HydrophobicContact CE2-CB 4.08Å; F641-V733 HydrophobicContact CE1-CG1 4.24Å; F641-L734 HydrophobicContact CZ-CB 4.37Å
642	D	98.1	Very high	96.8	Very high	31 Å²	31	23.2 Å²	23.2	17%	0.166	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116	161.2	-158.1	29.5	0	0	0	108	R612 P613 R614 L615	R612-D642 HydrophobicContact CB-CB 4.1Å; R612-D642 IonicContact CZ-OD1 3.52Å; R612-D642 VanDerWaalsContact CZ-OD1 3.29Å; R612-D642 IonicContact NH1-OD1 2.73Å; R612-D642 PolarHBondContact NH1-OD1 3.27Å; R612-D642 IonicContact NH2-OD1 3.37Å; R612-D642 PolarHBondContact NH2-OD1 2.94Å; R612-D642 IonicContact NH2-OD2 3.33Å; R612-D642 PolarHBondContact NH2-OD2 3.49Å; P613-D642 PolarHBondContact O-N 3.47Å; R614-D642 CarbonylContact C-O 3.59Å; R614-D642 VanDerWaalsContact CA-O 3.24Å; R614-D642 WeakPolarHBondContact CA-O 3.31Å; R614-D642 HydrophobicContact CB-CB 4.23Å; R614-D642 HydrophobicContact CG-CB 4.15Å; R614-D642 IonicContact CZ-OD2 3.2Å; R614-D642 IonicContact NE-OD2 2.65Å; R614-D642 PolarHBondContact NE-OD2 3.43Å; R614-D642 IonicContact NH2-OD2 2.83Å; R614-D642 PolarHBondContact NH2-OD2 3.46Å; L615-D642 PolarHBondContact N-O 3.07Å
643	V	97.7	Very high	96.8	Very high	20 Å²	20	25.5 Å²	25.5	12%	0.121	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.9	-170.7	-175.8	0	0	0	0	110.3	L615 V617 A633 F636 A637 F641	L615-V643 WeakPolarHBondContact O-CA 3.36Å; V617-V643 HydrophobicContact CG2-CG1 3.89Å; A633-V643 HydrophobicContact CB-CG1 3.77Å; F636-V643 HydrophobicContact CB-CG2 3.89Å; A637-V643 HydrophobicContact CB-CG2 4.29Å; F641-V643 HydrophobicContact CB-CG2 3.81Å
644	D	96.9	Very high	96.9	Very high	48 Å²	48	29 Å²	29	26%	0.257	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136	168.7	-63.8	-57.2	0	0	0	109	L615 L616 V617	L615-D644 PolarHBondContact O-N 3.2Å; L616-D644 CarbonylContact C-O 3.56Å; L616-D644 WeakPolarHBondContact CA-O 3.39Å; L616-D644 HydrophobicContact CD1-CB 3.81Å; V617-D644 PolarHBondContact N-O 3Å
645	I	95.9	Very high	97	Very high	56 Å²	56	28.8 Å²	28.8	29%	0.287	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.3	175.7	-58.7	174.8	0	0	0	108	M580 K630 A633	M580-I645 HydrophobicContact CG-CD1 4.01Å; M580-I645 HydrophobicContact SD-CD1 3.94Å; K630-I645 HydrophobicContact CD-CD1 4.12Å; K630-I645 HydrophobicContact CD-CG2 4.46Å; A633-I645 HydrophobicContact CB-CD1 3.79Å; A633-I645 HydrophobicContact CB-CG1 3.85Å
646	G	95.2	Very high	97.1	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-65.7	134.5	173.5	0	0	0	0	0	111	V617	V617-G646 PolarHBondContact O-N 3.19Å
647	P	95.1	Very high	97.1	Very high	73 Å²	73	31.7 Å²	31.7	47%	0.474	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-53.3	153.2	168.4	-26	32.9	0	0	0	112.7	Q650	P647-Q650 HydrophobicContact CB-CG 4.3Å; P647-Q650 WeakPolarHBondContact O-CG 3.21Å; P647-Q650 PolarHBondContact O-OE1 3.49Å
648	L	95.3	Very high	97.1	Very high	33 Å²	33	32.5 Å²	32.5	17%	0.173	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	153.5	170.5	-66.2	169.8	0	0	0	111.3	N227 K619 Q650	N227-L648 HydrophobicContact CB-CD1 3.79Å; N227-L648 VanDerWaalsContact CG-CD1 3.45Å; K619-L648 HydrophobicContact CB-CD2 4.2Å; K619-L648 HydrophobicContact CG-CD2 3.96Å; L648-Q650 VanDerWaalsContact C-N 3.31Å; L648-Q650 PolarHBondContact O-N 3.19Å
649	F	95.9	Very high	97.2	Very high	23 Å²	23	31.8 Å²	31.8	10%	0.101	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	20.3	171.5	-34.9	-54.6	0	0	0	117.1	R142 R150 N227 Y229 G621	R142-F649 VanDerWaalsContact CZ-CE2 3.49Å; R150-F649 PolarHBondContact NH1-O 3.18Å; R150-F649 VanDerWaalsContact NH1-O 3.09Å; N227-F649 HydrophobicContact CB-CZ 4.28Å; N227-F649 WeakPolarHBondContact O-CZ 3.48Å; Y229-F649 HydrophobicContact CE2-CE2 4.15Å; G621-F649 VanDerWaalsContact O-CA 3.28Å; G621-F649 WeakPolarHBondContact O-CA 3.48Å
650	Q	96.3	Very high	97.3	Very high	23 Å²	23	33 Å²	33	11%	0.107	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-70	143.5	173.3	-69.5	-177.2	-53.4	0	0	111.5	M620 G621 P647 L648 E654 V655	M620-Q650 WeakPolarHBondContact CA-O 3.44Å; G621-Q650 PolarHBondContact N-O 2.82Å; G621-Q650 VanDerWaalsContact N-O 3.07Å; P647-Q650 HydrophobicContact CB-CG 4.3Å; P647-Q650 WeakPolarHBondContact O-CG 3.21Å; P647-Q650 PolarHBondContact O-OE1 3.49Å; L648-Q650 VanDerWaalsContact C-N 3.31Å; L648-Q650 PolarHBondContact O-N 3.19Å; Q650-E654 WeakPolarHBondContact CA-OE2 3.48Å; Q650-E654 HydrophobicContact CB-CB 4.05Å; Q650-E654 HydrophobicContact CG-CB 4.24Å; Q650-V655 HydrophobicContact CB-CG2 3.64Å
651	T	97.1	Very high	97.4	Very high	35 Å²	35	37.4 Å²	37.4	22%	0.215	19%	0.193	C	C	.	.			trans	-74.9	160	165	58.2	0	0	0	0	110.3	R653 E654 V655	T651-R653 PolarHBondContact O-N 3.4Å; T651-E654 PolarHBondContact N-OE2 2.82Å; T651-E654 PolarHBondContact O-N 3.44Å; T651-E654 WeakPolarHBondContact OG1-CB 3.31Å; T651-E654 VanDerWaalsContact OG1-CD 3.26Å; T651-E654 VanDerWaalsContact OG1-CG 3.28Å; T651-E654 WeakPolarHBondContact OG1-CG 3.27Å; T651-E654 PolarHBondContact OG1-N 3.26Å; T651-E654 PolarHBondContact OG1-OE2 2.94Å; T651-V655 PolarHBondContact O-N 3.05Å
652	P	97.5	Very high	97.3	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.039	20%	0.202	C	C	.	.	H	α-helix	trans	-54.4	-35	173.4	-26.5	35.5	0	0	0	113.4	M620 A656 L679 E682 L683	M620-P652 HydrophobicContact SD-CB 3.92Å; M620-P652 HydrophobicContact SD-CG 3.94Å; P652-A656 WeakPolarHBondContact O-CB 3.45Å; P652-A656 PolarHBondContact O-N 3.12Å; P652-L679 HydrophobicContact CG-CB 4.27Å; P652-L679 HydrophobicContact CG-CD2 3.95Å; P652-E682 HydrophobicContact CB-CB 3.95Å; P652-E682 HydrophobicContact CB-CG 3.89Å; P652-E682 HydrophobicContact CG-CB 3.94Å; P652-E682 HydrophobicContact CG-CG 3.99Å; P652-L683 HydrophobicContact CB-CB 4.11Å; P652-L683 WeakPolarHBondContact O-CD1 3.39Å
653	R	97.4	Very high	97.3	Very high	97 Å²	97	40 Å²	40	37%	0.366	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-45.7	174.6	178.9	67.3	-168.2	-176.8	3.1	113	T651 V655 A656 Q657 E686	T651-R653 PolarHBondContact O-N 3.4Å; R653-V655 VanDerWaalsContact C-N 3.33Å; R653-A656 PolarHBondContact O-N 3.23Å; R653-Q657 WeakPolarHBondContact O-CB 3.26Å; R653-Q657 PolarHBondContact O-N 3.21Å; R653-E686 HydrophobicContact CB-CG 4.21Å; R653-E686 WeakPolarHBondContact CD-OE2 3.42Å; R653-E686 IonicContact CZ-OE2 3.29Å; R653-E686 IonicContact NE-OE2 3.47Å; R653-E686 IonicContact NH1-OE2 3.29Å; R653-E686 PolarHBondContact NH1-OE2 3.16Å
654	E	98.1	Very high	97.4	Very high	73 Å²	73	39 Å²	39	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-40.4	178.6	-74.1	159.2	159.3	0	0	110.7	R150 Q650 T651 Q657 Q658	R150-E654 IonicContact CZ-OE1 2.76Å; R150-E654 IonicContact CZ-OE2 3.71Å; R150-E654 IonicContact NH1-OE1 3.76Å; R150-E654 IonicContact NH1-OE2 2.58Å; R150-E654 PolarHBondContact NH1-OE2 3.25Å; R150-E654 IonicContact NH2-OE1 3.9Å; R150-E654 PolarHBondContact NH2-OE1 3.35Å; R150-E654 IonicContact NH2-OE2 3.49Å; Q650-E654 WeakPolarHBondContact CA-OE2 3.48Å; Q650-E654 HydrophobicContact CB-CB 4.05Å; Q650-E654 HydrophobicContact CG-CB 4.24Å; T651-E654 PolarHBondContact N-OE2 2.82Å; T651-E654 PolarHBondContact O-N 3.44Å; T651-E654 WeakPolarHBondContact OG1-CB 3.31Å; T651-E654 VanDerWaalsContact OG1-CD 3.26Å; T651-E654 VanDerWaalsContact OG1-CG 3.28Å; T651-E654 WeakPolarHBondContact OG1-CG 3.27Å; T651-E654 PolarHBondContact OG1-N 3.26Å; T651-E654 PolarHBondContact OG1-OE2 2.94Å; E654-Q657 PolarHBondContact O-N 3.03Å; E654-Q658 PolarHBondContact O-N 3.33Å
655	V	98.5	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-46.2	174	175.3	0	0	0	0	111.6	L616 A618 M620 Q650 T651 R653 Q657 Q658 A659 V667 L683	L616-V655 HydrophobicContact CD2-CG1 4.05Å; A618-V655 HydrophobicContact CB-CG1 3.63Å; A618-V655 HydrophobicContact CB-CG2 4.12Å; M620-V655 HydrophobicContact CG-CB 4.43Å; M620-V655 HydrophobicContact CG-CG2 3.67Å; M620-V655 HydrophobicContact SD-CB 4.44Å; M620-V655 HydrophobicContact SD-CG2 4.29Å; Q650-V655 HydrophobicContact CB-CG2 3.64Å; T651-V655 PolarHBondContact O-N 3.05Å; R653-V655 VanDerWaalsContact C-N 3.33Å; V655-Q657 VanDerWaalsContact C-N 3.31Å; V655-Q657 PolarHBondContact O-N 3.49Å; V655-Q658 PolarHBondContact O-N 3.41Å; V655-A659 WeakPolarHBondContact O-CB 3.39Å; V655-A659 PolarHBondContact O-N 3.46Å; V655-V667 HydrophobicContact CG1-CG1 3.87Å; V655-L683 HydrophobicContact CB-CD1 4.04Å; V655-L683 HydrophobicContact CG1-CD1 3.76Å; V655-L683 HydrophobicContact CG1-CD2 4.36Å
656	A	98.6	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-45	177.8	0	0	0	0	0	111.3	P652 R653 A659 V660 L683 E686 L687 L690	P652-A656 WeakPolarHBondContact O-CB 3.45Å; P652-A656 PolarHBondContact O-N 3.12Å; R653-A656 PolarHBondContact O-N 3.23Å; A656-A659 PolarHBondContact O-N 3Å; A656-V660 VanDerWaalsContact O-CG2 3.31Å; A656-V660 WeakPolarHBondContact O-CG2 3.29Å; A656-V660 PolarHBondContact O-N 3.28Å; A656-V660 VanDerWaalsContact O-N 3.08Å; A656-L683 HydrophobicContact CB-CD1 3.95Å; A656-E686 HydrophobicContact CB-CB 3.63Å; A656-L687 HydrophobicContact CB-CD2 4.04Å; A656-L687 HydrophobicContact CB-CG 4.1Å; A656-L690 HydrophobicContact CB-CD1 3.89Å
657	Q	98.6	Very high	97.8	Very high	65 Å²	65	34.4 Å²	34.4	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-61.2	-47.7	177.3	-169.9	64.9	62	0	0	111.4	R653 E654 V655 A659 V660 D661 L690	R653-Q657 WeakPolarHBondContact O-CB 3.26Å; R653-Q657 PolarHBondContact O-N 3.21Å; E654-Q657 PolarHBondContact O-N 3.03Å; V655-Q657 VanDerWaalsContact C-N 3.31Å; V655-Q657 PolarHBondContact O-N 3.49Å; Q657-A659 VanDerWaalsContact C-N 3.33Å; Q657-A659 PolarHBondContact O-N 2.89Å; Q657-V660 PolarHBondContact O-N 2.92Å; Q657-D661 PolarHBondContact NE2-OD1 3.47Å; Q657-D661 WeakPolarHBondContact O-CB 3.23Å; Q657-D661 PolarHBondContact O-N 3.09Å; Q657-L690 HydrophobicContact CB-CD1 4.42Å
658	Q	98.5	Very high	97.9	Very high	45 Å²	45	31.6 Å²	31.6	21%	0.21	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-41.6	177.8	-178	176.8	-2.9	0	0	112.4	L616 E654 V655 V660 D661 A662	L616-Q658 HydrophobicContact CD1-CG 4.29Å; L616-Q658 HydrophobicContact CD2-CB 4.28Å; L616-Q658 HydrophobicContact CD2-CG 4.13Å; E654-Q658 PolarHBondContact O-N 3.33Å; V655-Q658 PolarHBondContact O-N 3.41Å; Q658-V660 VanDerWaalsContact C-N 3.33Å; Q658-V660 PolarHBondContact O-N 3.21Å; Q658-D661 PolarHBondContact O-N 3.08Å; Q658-A662 VanDerWaalsContact O-CB 3.29Å; Q658-A662 WeakPolarHBondContact O-CB 3.28Å; Q658-A662 PolarHBondContact O-N 3.07Å
659	A	98.6	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-42.3	178.2	0	0	0	0	0	112	L616 V655 A656 Q657 D663 V664 V667 L687 I695	L616-A659 HydrophobicContact CD2-CB 3.86Å; V655-A659 WeakPolarHBondContact O-CB 3.39Å; V655-A659 PolarHBondContact O-N 3.46Å; A656-A659 PolarHBondContact O-N 3Å; Q657-A659 VanDerWaalsContact C-N 3.33Å; Q657-A659 PolarHBondContact O-N 2.89Å; A659-D663 PolarHBondContact O-N 3.25Å; A659-V664 HydrophobicContact CB-CG2 3.77Å; A659-V664 PolarHBondContact O-N 3.01Å; A659-V664 VanDerWaalsContact O-N 3.17Å; A659-V667 HydrophobicContact CB-CG2 3.47Å; A659-V667 VanDerWaalsContact CB-CG2 3.47Å; A659-L687 HydrophobicContact CB-CD2 4.11Å; A659-I695 HydrophobicContact CB-CD1 4.45Å
660	V	98.5	Very high	98.2	Very high	32 Å²	32	29.8 Å²	29.8	19%	0.194	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-45.9	178	173.6	0	0	0	0	111.2	A656 Q657 Q658 A662 D663 L687 L690 R692 I695	A656-V660 VanDerWaalsContact O-CG2 3.31Å; A656-V660 WeakPolarHBondContact O-CG2 3.29Å; A656-V660 PolarHBondContact O-N 3.28Å; A656-V660 VanDerWaalsContact O-N 3.08Å; Q657-V660 PolarHBondContact O-N 2.92Å; Q658-V660 VanDerWaalsContact C-N 3.33Å; Q658-V660 PolarHBondContact O-N 3.21Å; V660-A662 VanDerWaalsContact C-N 3.29Å; V660-A662 PolarHBondContact O-N 3.09Å; V660-D663 PolarHBondContact O-N 3.2Å; V660-D663 VanDerWaalsContact O-N 3.1Å; V660-L687 HydrophobicContact CG2-CD2 4.24Å; V660-L690 HydrophobicContact CG2-CB 4.03Å; V660-L690 HydrophobicContact CG2-CD1 4.05Å; V660-R692 HydrophobicContact CB-CG 4.47Å; V660-R692 HydrophobicContact CG1-CG 4.03Å; V660-R692 HydrophobicContact CG2-CB 3.81Å; V660-R692 HydrophobicContact CG2-CG 3.76Å; V660-I695 HydrophobicContact CG2-CD1 4.14Å
661	D	98.3	Very high	98	Very high	117 Å²	117	29.2 Å²	29.2	63%	0.626	15%	0.153	S	C	*	.	H	α-helix	trans	-63	-36.1	-179.4	-66.8	-12	0	0	0	111.9	Q657 Q658 D663	Q657-D661 PolarHBondContact NE2-OD1 3.47Å; Q657-D661 WeakPolarHBondContact O-CB 3.23Å; Q657-D661 PolarHBondContact O-N 3.09Å; Q658-D661 PolarHBondContact O-N 3.08Å; D661-D663 VanDerWaalsContact C-N 3.34Å
662	A	98	Very high	97.7	Very high	23 Å²	23	30.2 Å²	30.2	19%	0.19	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.3	177.2	0	0	0	0	0	114	R614 Q658 V660 V664	R614-A662 WeakPolarHBondContact CD-O 3.36Å; R614-A662 PolarHBondContact NH1-O 2.94Å; Q658-A662 VanDerWaalsContact O-CB 3.29Å; Q658-A662 WeakPolarHBondContact O-CB 3.28Å; Q658-A662 PolarHBondContact O-N 3.07Å; V660-A662 VanDerWaalsContact C-N 3.29Å; V660-A662 PolarHBondContact O-N 3.09Å; A662-V664 VanDerWaalsContact C-N 3.31Å; A662-V664 HydrophobicContact CB-CG1 3.79Å; A662-V664 PolarHBondContact O-N 3.14Å
663	D	98	Very high	97.2	Very high	64 Å²	64	30.4 Å²	30.4	34%	0.342	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	51	-175.2	-172.8	44.5	0	0	0	113.1	R611 A659 V660 D661 R692	R611-D663 IonicContact CZ-OD2 3.48Å; R611-D663 PolarHBondContact NH1-O 3.4Å; R611-D663 IonicContact NH1-OD2 3.61Å; R611-D663 IonicContact NH2-OD2 3.46Å; A659-D663 PolarHBondContact O-N 3.25Å; V660-D663 PolarHBondContact O-N 3.2Å; V660-D663 VanDerWaalsContact O-N 3.1Å; D661-D663 VanDerWaalsContact C-N 3.34Å; D663-R692 IonicContact OD1-CZ 3.47Å; D663-R692 IonicContact OD1-NH1 3.32Å; D663-R692 PolarHBondContact OD1-NH1 2.86Å; D663-R692 IonicContact OD1-NH2 3.76Å; D663-R692 PolarHBondContact OD1-NH2 2.98Å; D663-R692 VanDerWaalsContact OD1-NH2 3.13Å
664	V	98.6	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.			trans	-73.3	153.8	179.6	-52.1	0	0	0	0	111.2	R614 L616 A659 A662 A666 V667 I695	R614-V664 HydrophobicContact CG-CB 4.28Å; R614-V664 HydrophobicContact CG-CG1 3.94Å; L616-V664 HydrophobicContact CB-CB 4.47Å; L616-V664 HydrophobicContact CB-CG1 3.97Å; L616-V664 HydrophobicContact CB-CG2 4.22Å; A659-V664 HydrophobicContact CB-CG2 3.77Å; A659-V664 PolarHBondContact O-N 3.01Å; A659-V664 VanDerWaalsContact O-N 3.17Å; A662-V664 VanDerWaalsContact C-N 3.31Å; A662-V664 HydrophobicContact CB-CG1 3.79Å; A662-V664 PolarHBondContact O-N 3.14Å; V664-A666 WeakPolarHBondContact CG2-O 3.26Å; V664-V667 HydrophobicContact CG2-CG2 4.13Å; V664-I695 HydrophobicContact CG2-CD1 4.49Å; V664-I695 HydrophobicContact CG2-CG2 3.96Å
665	H	98.7	Very high	96.3	Very high	13 Å²	13	24.5 Å²	24.5	6%	0.06	14%	0.144	C	C	.	.	S	Bend	trans	-80.7	-33.9	172.2	-61.7	87.9	0	0	0	111.3	F605 R611 R612 R614 L696 I737	F605-H665 AromaticContact CE1-CE1 4Å; F605-H665 AromaticContact CE1-NE2 3.88Å; F605-H665 AromaticContact CZ-CD2 3.98Å; F605-H665 AromaticContact CZ-CE1 3.97Å; F605-H665 AromaticContact CZ-NE2 3.49Å; F605-H665 WeakPolarHBondContact CZ-NE2 3.49Å; R611-H665 PolarHBondContact NE-CE1 2.93Å; R611-H665 PolarHBondContact NE-NE2 3.19Å; R611-H665 PolarHBondContact NH1-CE1 2.72Å; R611-H665 VanDerWaalsContact NH1-CE1 3.32Å; R611-H665 PolarHBondContact NH2-CD2 2.97Å; R611-H665 VanDerWaalsContact NH2-CD2 3.31Å; R611-H665 PolarHBondContact NH2-CE1 2.84Å; R611-H665 PolarHBondContact NH2-NE2 2.8Å; R612-H665 PolarHBondContact O-CE1 3.07Å; R614-H665 PolarHBondContact N-ND1 3.49Å; R614-H665 PolarHBondContact O-N 3.44Å; H665-L696 PolarHBondContact O-N 3.24Å; H665-L696 VanDerWaalsContact O-N 3.15Å; H665-I737 HydrophobicContact CB-CD1 3.82Å; H665-I737 HydrophobicContact CB-CG1 4.09Å; H665-I737 HydrophobicContact CB-CG2 3.92Å
666	A	98.7	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.6	-178.8	0	0	0	0	0	111.8	R614 L615 L616 V664 L696 I737	R614-A666 PolarHBondContact O-N 2.86Å; L615-A666 WeakPolarHBondContact CA-O 3.45Å; L615-A666 HydrophobicContact CD1-CB 3.92Å; L616-A666 PolarHBondContact N-O 3.07Å; V664-A666 WeakPolarHBondContact CG2-O 3.26Å; A666-L696 CarbonylContact C-O 3.6Å; A666-L696 VanDerWaalsContact CA-O 3.24Å; A666-L696 WeakPolarHBondContact CA-O 3.47Å; A666-L696 HydrophobicContact CB-CB 4.06Å; A666-I737 HydrophobicContact CB-CD1 4.33Å
667	V	98.8	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.6	165.3	-176.2	0	0	0	0	108.4	L616 A618 V655 A659 V664 V669 L683 I695 L696 M698	L616-V667 HydrophobicContact CB-CG2 4.43Å; L616-V667 HydrophobicContact CD2-CG1 4.41Å; L616-V667 HydrophobicContact CD2-CG2 4.36Å; L616-V667 CarbonylContact O-C 3.58Å; L616-V667 WeakPolarHBondContact O-CA 3.39Å; A618-V667 HydrophobicContact CB-CG1 3.99Å; V655-V667 HydrophobicContact CG1-CG1 3.87Å; A659-V667 HydrophobicContact CB-CG2 3.47Å; A659-V667 VanDerWaalsContact CB-CG2 3.47Å; V664-V667 HydrophobicContact CG2-CG2 4.13Å; V667-V669 HydrophobicContact CG1-CG2 4.12Å; V667-L683 HydrophobicContact CG1-CD2 4.02Å; V667-I695 HydrophobicContact CG2-CG2 3.9Å; V667-L696 PolarHBondContact N-O 3.41Å; V667-M698 PolarHBondContact O-N 3.28Å
668	G	98.5	Very high	95.4	Very high	14 Å²	14	27.9 Å²	27.9	14%	0.144	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	99.3	171	0	0	0	0	0	110.8	L616 V617 A618	L616-G668 PolarHBondContact O-N 2.88Å; V617-G668 CarbonylContact C-O 3.56Å; V617-G668 WeakPolarHBondContact CA-O 3.39Å; A618-G668 PolarHBondContact N-O 2.82Å
669	V	98.4	Very high	95.2	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.8	177.2	-179.7	0	0	0	0	109.8	M620 V667 V680 L683 V697 M698 C699 G700	M620-V669 HydrophobicContact CE-CB 4.27Å; M620-V669 HydrophobicContact CE-CG1 3.52Å; M620-V669 HydrophobicContact CE-CG2 3.7Å; V667-V669 HydrophobicContact CG1-CG2 4.12Å; V669-V680 HydrophobicContact CG1-CG2 4.18Å; V669-L683 HydrophobicContact CG2-CD2 3.52Å; V669-V697 HydrophobicContact CG2-CG1 4.23Å; V669-M698 PolarHBondContact N-O 3.33Å; V669-C699 CarbonylContact O-C 3.51Å; V669-C699 WeakPolarHBondContact O-CA 3.43Å; V669-G700 PolarHBondContact O-N 2.98Å
670	S	97.6	Very high	95.2	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.098	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.5	171.2	-177.6	0	0	0	0	110.1	A618 K619 L672 G700	A618-S670 PolarHBondContact O-N 2.74Å; K619-S670 WeakPolarHBondContact CD-O 3.32Å; K619-S670 VanDerWaalsContact CE-O 3.29Å; K619-S670 WeakPolarHBondContact CE-O 3.45Å; K619-S670 PolarHBondContact NZ-O 3.37Å; S670-L672 WeakPolarHBondContact OG-CD1 3.44Å; S670-G700 CarbonylContact C-O 3.53Å; S670-G700 WeakPolarHBondContact CA-O 3.45Å
671	T	93.9	Very high	95.1	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.067	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.8	-173.8	175.4	0	0	0	0	111.3	H676 G700 G701 V702 I703	T671-H676 HydrophobicContact CG2-CB 3.89Å; T671-G700 PolarHBondContact N-O 3.29Å; T671-G701 CarbonylContact O-C 3.53Å; T671-G701 WeakPolarHBondContact O-CA 3.49Å; T671-V702 PolarHBondContact O-N 3.27Å; T671-I703 HydrophobicContact CG2-CD1 3.74Å; T671-I703 HydrophobicContact CG2-CG1 3.8Å
672	L	90.9	Very high	95	Very high	56 Å²	56	24.6 Å²	24.6	29%	0.293	14%	0.144	S	C	.	.			trans	-128.6	4.1	-179.4	-71.2	86.4	0	0	0	112.5	D623 H625 S670 V702	D623-L672 PolarHBondContact OD2-N 3.03Å; H625-L672 HydrophobicContact CB-CB 3.95Å; H625-L672 HydrophobicContact CB-CD1 4.32Å; H625-L672 HydrophobicContact CB-CD2 3.92Å; H625-L672 HydrophobicContact CB-CG 4.29Å; S670-L672 WeakPolarHBondContact OG-CD1 3.44Å; L672-V702 HydrophobicContact CD2-CG2 4.47Å; L672-V702 HydrophobicContact CG-CG2 4.34Å
673	A	86.6	Confident	95	Very high	11 Å²	11	23.5 Å²	23.5	9%	0.091	14%	0.135	C	C	.	.	S	Bend	trans	-114.4	21	-179.3	0	0	0	0	0	113.6	L138 D623 G675	L138-A673 HydrophobicContact CD1-CB 3.56Å; D623-A673 HydrophobicContact CB-CB 3.75Å; A673-G675 PolarHBondContact O-N 3.23Å; A673-G675 VanDerWaalsContact O-N 3.07Å
674	A	87.1	Confident	95	Very high	43 Å²	43	22 Å²	22	36%	0.355	13%	0.126	S	C	.	.	S	Bend	trans	59.3	16	177.5	0	0	0	0	0	116.3	M157 H676	M157-A674 HydrophobicContact CE-CB 3.34Å; M157-A674 WeakPolarHBondContact CE-O 3.37Å; A674-H676 VanDerWaalsContact C-N 3.25Å; A674-H676 PolarHBondContact O-N 3.31Å
675	G	88.5	Confident	95	Very high	3 Å²	3	29 Å²	29	3%	0.031	16%	0.156	C	C	.	.			trans	-77.4	-3.3	176.7	0	0	0	0	0	114.8	A673 K677 T678 L679	A673-G675 PolarHBondContact O-N 3.23Å; A673-G675 VanDerWaalsContact O-N 3.07Å; G675-K677 VanDerWaalsContact C-N 3.33Å; G675-K677 PolarHBondContact O-N 2.87Å; G675-T678 PolarHBondContact O-N 3.4Å; G675-L679 WeakPolarHBondContact O-CG 3.2Å; G675-L679 PolarHBondContact O-N 3.21Å
676	H	93.3	Very high	95	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-37.8	-169.2	51	-79.9	0	0	0	113.9	T671 A674 T678 V680 P681 D707 L711	T671-H676 HydrophobicContact CG2-CB 3.89Å; A674-H676 VanDerWaalsContact C-N 3.25Å; A674-H676 PolarHBondContact O-N 3.31Å; H676-T678 PolarHBondContact O-N 3.09Å; H676-V680 HydrophobicContact CB-CG2 4.27Å; H676-V680 WeakPolarHBondContact O-CB 3.47Å; H676-V680 PolarHBondContact O-N 2.73Å; H676-P681 WeakPolarHBondContact O-CD 3.25Å; H676-D707 IonicContact CD2-OD2 3.18Å; H676-D707 IonicContact CE1-OD2 2.98Å; H676-D707 IonicContact NE2-OD2 3.74Å; H676-D707 PolarHBondContact NE2-OD2 3.2Å; H676-L711 HydrophobicContact CB-CD2 4.49Å
677	K	92	Very high	95	Very high	94 Å²	94	30.3 Å²	30.3	41%	0.409	16%	0.163	S	C	.	.	H	α-helix	trans	-68	-16.1	179.8	-57.5	-174.8	78.2	149.6	0	114.1	G675 D707 F710	G675-K677 VanDerWaalsContact C-N 3.33Å; G675-K677 PolarHBondContact O-N 2.87Å; K677-D707 WeakPolarHBondContact CD-OD1 3.37Å; K677-D707 WeakPolarHBondContact CE-OD1 3.41Å; K677-D707 IonicContact NZ-OD1 2.7Å; K677-D707 PolarHBondContact NZ-OD1 3.37Å; K677-F710 HydrophobicContact CB-CE1 3.96Å; K677-F710 HydrophobicContact CB-CZ 4.48Å; K677-F710 HydrophobicContact CG-CD1 4.3Å; K677-F710 HydrophobicContact CG-CE1 4.22Å
678	T	91.6	Very high	94.9	Very high	36 Å²	36	34 Å²	34	22%	0.221	19%	0.186	C	C	.	.	H	α-helix	trans	-105.1	-51.3	177.3	-59.4	0	0	0	0	111.2	G675 H676	G675-T678 PolarHBondContact O-N 3.4Å; H676-T678 PolarHBondContact O-N 3.09Å
679	L	94.9	Very high	94.9	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-77.2	-34.9	-167.9	-60	172	0	0	0	113	M620 P652 G675 E682 L683	M620-L679 HydrophobicContact CB-CB 4.31Å; M620-L679 HydrophobicContact CB-CD1 4.05Å; M620-L679 HydrophobicContact CE-CB 4.07Å; M620-L679 HydrophobicContact SD-CB 4.49Å; P652-L679 HydrophobicContact CG-CB 4.27Å; P652-L679 HydrophobicContact CG-CD2 3.95Å; G675-L679 WeakPolarHBondContact O-CG 3.2Å; G675-L679 PolarHBondContact O-N 3.21Å; L679-E682 PolarHBondContact O-N 3.22Å; L679-L683 PolarHBondContact O-N 3.39Å
680	V	97.4	Very high	94.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-71.1	-47.2	-177.9	175.8	0	0	0	0	112.1	M620 V669 H676 E682 L683 I684 V697 L711 V716	M620-V680 HydrophobicContact CE-CG2 4.16Å; V669-V680 HydrophobicContact CG1-CG2 4.18Å; H676-V680 HydrophobicContact CB-CG2 4.27Å; H676-V680 WeakPolarHBondContact O-CB 3.47Å; H676-V680 PolarHBondContact O-N 2.73Å; V680-E682 PolarHBondContact O-N 2.83Å; V680-L683 WeakPolarHBondContact O-CB 3.21Å; V680-L683 PolarHBondContact O-N 2.91Å; V680-L683 VanDerWaalsContact O-N 3.16Å; V680-I684 HydrophobicContact CG1-CD1 4.13Å; V680-I684 PolarHBondContact O-N 3.01Å; V680-I684 VanDerWaalsContact O-N 3.13Å; V680-V697 HydrophobicContact CG1-CG1 4.18Å; V680-L711 HydrophobicContact CB-CD2 4.23Å; V680-L711 HydrophobicContact CG1-CD2 4.26Å; V680-V716 HydrophobicContact CG1-CG2 3.45Å; V680-V716 VanDerWaalsContact CG1-CG2 3.45Å
681	P	96.8	Very high	94.9	Very high	39 Å²	39	40.5 Å²	40.5	25%	0.253	24%	0.239	S	C	.	.	H	α-helix	trans	-59	-34.7	173.2	-25.3	34.8	0	0	0	113	H676 K685 F710 A714	H676-P681 WeakPolarHBondContact O-CD 3.25Å; P681-K685 WeakPolarHBondContact O-CB 3.35Å; P681-K685 PolarHBondContact O-N 3.4Å; P681-K685 VanDerWaalsContact O-N 3.09Å; P681-F710 HydrophobicContact CG-CE1 4.1Å; P681-F710 HydrophobicContact CG-CZ 4.27Å; P681-A714 HydrophobicContact CB-CB 4.41Å; P681-A714 HydrophobicContact CG-CB 4.05Å
682	E	96.1	Very high	95.1	Very high	70 Å²	70	42.4 Å²	42.4	33%	0.327	25%	0.245	S	C	.	.	H	α-helix	trans	-67.4	-40.9	176.5	-167.4	172.1	178.1	0	0	111.7	P652 L679 V680 I684 K685 E686	P652-E682 HydrophobicContact CB-CB 3.95Å; P652-E682 HydrophobicContact CB-CG 3.89Å; P652-E682 HydrophobicContact CG-CB 3.94Å; P652-E682 HydrophobicContact CG-CG 3.99Å; L679-E682 PolarHBondContact O-N 3.22Å; V680-E682 PolarHBondContact O-N 2.83Å; E682-I684 PolarHBondContact O-N 2.65Å; E682-K685 WeakPolarHBondContact O-CB 3.41Å; E682-K685 PolarHBondContact O-N 2.88Å; E682-E686 WeakPolarHBondContact O-CG 3.48Å; E682-E686 PolarHBondContact O-N 3.44Å
683	L	98.3	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-48	174.7	172.1	63.1	0	0	0	111.7	M620 P652 V655 A656 V667 V669 L679 V680 K685 E686 L687 V697	M620-L683 HydrophobicContact CE-CB 4.11Å; M620-L683 HydrophobicContact CE-CD2 3.89Å; M620-L683 HydrophobicContact SD-CB 3.95Å; M620-L683 HydrophobicContact SD-CD2 4.08Å; M620-L683 HydrophobicContact SD-CG 4.4Å; P652-L683 HydrophobicContact CB-CB 4.11Å; P652-L683 WeakPolarHBondContact O-CD1 3.39Å; V655-L683 HydrophobicContact CB-CD1 4.04Å; V655-L683 HydrophobicContact CG1-CD1 3.76Å; V655-L683 HydrophobicContact CG1-CD2 4.36Å; A656-L683 HydrophobicContact CB-CD1 3.95Å; V667-L683 HydrophobicContact CG1-CD2 4.02Å; V669-L683 HydrophobicContact CG2-CD2 3.52Å; L679-L683 PolarHBondContact O-N 3.39Å; V680-L683 WeakPolarHBondContact O-CB 3.21Å; V680-L683 PolarHBondContact O-N 2.91Å; V680-L683 VanDerWaalsContact O-N 3.16Å; L683-K685 VanDerWaalsContact C-N 3.29Å; L683-K685 PolarHBondContact O-N 2.96Å; L683-E686 PolarHBondContact O-N 2.85Å; L683-E686 VanDerWaalsContact O-N 3.14Å; L683-L687 HydrophobicContact CD1-CD1 4.22Å; L683-L687 HydrophobicContact CD1-CG 4.22Å; L683-L687 HydrophobicContact CG-CD1 4.15Å; L683-L687 WeakPolarHBondContact O-CG 3.41Å; L683-L687 PolarHBondContact O-N 3Å; L683-V697 HydrophobicContact CD2-CG1 4.18Å; L683-V697 HydrophobicContact CD2-CG2 4.35Å
684	I	98.4	Very high	95.8	Very high	31 Å²	31	45.7 Å²	45.7	16%	0.159	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-41	-179.5	-67	167.9	0	0	0	110.7	V680 E682 L687 T688 V697 A714 V716	V680-I684 HydrophobicContact CG1-CD1 4.13Å; V680-I684 PolarHBondContact O-N 3.01Å; V680-I684 VanDerWaalsContact O-N 3.13Å; E682-I684 PolarHBondContact O-N 2.65Å; I684-L687 PolarHBondContact O-N 3.36Å; I684-T688 PolarHBondContact O-N 2.71Å; I684-T688 PolarHBondContact O-OG1 3.29Å; I684-V697 HydrophobicContact CD1-CB 4.39Å; I684-V697 HydrophobicContact CG1-CB 4.18Å; I684-V697 HydrophobicContact CG1-CG1 4.4Å; I684-V697 HydrophobicContact CG1-CG2 3.79Å; I684-A714 WeakPolarHBondContact CD1-O 3.47Å; I684-V716 HydrophobicContact CD1-CG2 4.23Å
685	K	98.2	Very high	96.4	Very high	147 Å²	147	44 Å²	44	64%	0.639	25%	0.251	S	S	*	.	H	α-helix	trans	-61.7	-43.1	174.2	-176.5	-175.6	174.8	-170.9	0	111.8	P681 E682 L683 T688 A689	P681-K685 WeakPolarHBondContact O-CB 3.35Å; P681-K685 PolarHBondContact O-N 3.4Å; P681-K685 VanDerWaalsContact O-N 3.09Å; E682-K685 WeakPolarHBondContact O-CB 3.41Å; E682-K685 PolarHBondContact O-N 2.88Å; L683-K685 VanDerWaalsContact C-N 3.29Å; L683-K685 PolarHBondContact O-N 2.96Å; K685-T688 WeakPolarHBondContact O-CB 3.31Å; K685-T688 PolarHBondContact O-N 3.35Å; K685-A689 WeakPolarHBondContact O-CB 3.49Å; K685-A689 PolarHBondContact O-N 3.44Å
686	E	98.3	Very high	96.9	Very high	38 Å²	38	45 Å²	45	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-38	179.9	-69.9	-58.4	155.4	0	0	112.9	R653 A656 E682 L683 T688 A689 L690	R653-E686 HydrophobicContact CB-CG 4.21Å; R653-E686 WeakPolarHBondContact CD-OE2 3.42Å; R653-E686 IonicContact CZ-OE2 3.29Å; R653-E686 IonicContact NE-OE2 3.47Å; R653-E686 IonicContact NH1-OE2 3.29Å; R653-E686 PolarHBondContact NH1-OE2 3.16Å; A656-E686 HydrophobicContact CB-CB 3.63Å; E682-E686 WeakPolarHBondContact O-CG 3.48Å; E682-E686 PolarHBondContact O-N 3.44Å; L683-E686 PolarHBondContact O-N 2.85Å; L683-E686 VanDerWaalsContact O-N 3.14Å; E686-T688 VanDerWaalsContact C-N 3.32Å; E686-T688 PolarHBondContact O-N 3.42Å; E686-A689 PolarHBondContact O-N 2.97Å; E686-L690 WeakPolarHBondContact O-CB 3.48Å; E686-L690 WeakPolarHBondContact O-CG 3.35Å; E686-L690 PolarHBondContact O-N 3.21Å
687	L	98.6	Very high	97.1	Very high	3 Å²	3	45 Å²	45	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-43.4	171.2	-74.5	170.1	0	0	0	111.5	A656 A659 V660 L683 I684 L690 G691 R692 I695 V697	A656-L687 HydrophobicContact CB-CD2 4.04Å; A656-L687 HydrophobicContact CB-CG 4.1Å; A659-L687 HydrophobicContact CB-CD2 4.11Å; V660-L687 HydrophobicContact CG2-CD2 4.24Å; L683-L687 HydrophobicContact CD1-CD1 4.22Å; L683-L687 HydrophobicContact CD1-CG 4.22Å; L683-L687 HydrophobicContact CG-CD1 4.15Å; L683-L687 WeakPolarHBondContact O-CG 3.41Å; L683-L687 PolarHBondContact O-N 3Å; I684-L687 PolarHBondContact O-N 3.36Å; L687-L690 PolarHBondContact O-N 3.03Å; L687-G691 PolarHBondContact O-N 3.19Å; L687-R692 CarbonylContact O-C 3.37Å; L687-R692 PolarHBondContact O-N 3.05Å; L687-I695 HydrophobicContact CD1-CG2 4.44Å; L687-I695 HydrophobicContact CD2-CB 4.4Å; L687-I695 HydrophobicContact CD2-CD1 4.18Å; L687-I695 HydrophobicContact CD2-CG2 4.47Å; L687-V697 HydrophobicContact CD1-CG2 3.66Å
688	T	98	Very high	97.4	Very high	78 Å²	78	40.7 Å²	40.7	48%	0.479	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-44.8	174.3	-56.5	0	0	0	0	111.3	I684 K685 E686 L690 G691	I684-T688 PolarHBondContact O-N 2.71Å; I684-T688 PolarHBondContact O-OG1 3.29Å; K685-T688 WeakPolarHBondContact O-CB 3.31Å; K685-T688 PolarHBondContact O-N 3.35Å; E686-T688 VanDerWaalsContact C-N 3.32Å; E686-T688 PolarHBondContact O-N 3.42Å; T688-L690 PolarHBondContact O-N 2.64Å; T688-G691 PolarHBondContact O-N 2.82Å
689	A	98.3	Very high	97.7	Very high	71 Å²	71	39 Å²	39	59%	0.587	23%	0.227	S	C	*	.	H	α-helix	trans	-63.8	-28.2	178.2	0	0	0	0	0	112.9	K685 E686 G691	K685-A689 WeakPolarHBondContact O-CB 3.49Å; K685-A689 PolarHBondContact O-N 3.44Å; E686-A689 PolarHBondContact O-N 2.97Å; A689-G691 VanDerWaalsContact C-N 3.28Å
690	L	98.3	Very high	97.8	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.225	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.7	173.5	-75.3	173.7	0	0	0	114	A656 Q657 V660 E686 L687 T688 R692	A656-L690 HydrophobicContact CB-CD1 3.89Å; Q657-L690 HydrophobicContact CB-CD1 4.42Å; V660-L690 HydrophobicContact CG2-CB 4.03Å; V660-L690 HydrophobicContact CG2-CD1 4.05Å; E686-L690 WeakPolarHBondContact O-CB 3.48Å; E686-L690 WeakPolarHBondContact O-CG 3.35Å; E686-L690 PolarHBondContact O-N 3.21Å; L687-L690 PolarHBondContact O-N 3.03Å; T688-L690 PolarHBondContact O-N 2.64Å; L690-R692 VanDerWaalsContact C-N 3.34Å
691	G	97.9	Very high	97.6	Very high	55 Å²	55	39.7 Å²	39.7	57%	0.567	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	18.9	177.6	0	0	0	0	0	114.3	L687 T688 A689 P693	L687-G691 PolarHBondContact O-N 3.19Å; T688-G691 PolarHBondContact O-N 2.82Å; A689-G691 VanDerWaalsContact C-N 3.28Å; G691-P693 WeakPolarHBondContact O-CD 3.37Å
692	R	97.7	Very high	97.4	Very high	51 Å²	51	39.7 Å²	39.7	19%	0.192	24%	0.236	C	C	.	.			trans	-124.2	55.8	177.8	-68	-61.5	-56.4	-86.9	3.6	112.7	V660 D663 L687 L690 D694 I695	V660-R692 HydrophobicContact CB-CG 4.47Å; V660-R692 HydrophobicContact CG1-CG 4.03Å; V660-R692 HydrophobicContact CG2-CB 3.81Å; V660-R692 HydrophobicContact CG2-CG 3.76Å; D663-R692 IonicContact OD1-CZ 3.47Å; D663-R692 IonicContact OD1-NH1 3.32Å; D663-R692 PolarHBondContact OD1-NH1 2.86Å; D663-R692 IonicContact OD1-NH2 3.76Å; D663-R692 PolarHBondContact OD1-NH2 2.98Å; D663-R692 VanDerWaalsContact OD1-NH2 3.13Å; L687-R692 CarbonylContact O-C 3.37Å; L687-R692 PolarHBondContact O-N 3.05Å; L690-R692 VanDerWaalsContact C-N 3.34Å; R692-D694 WeakPolarHBondContact CA-OD1 3.41Å; R692-D694 IonicContact CZ-OD1 2.7Å; R692-D694 IonicContact NE-OD1 3.11Å; R692-D694 PolarHBondContact NE-OD1 2.98Å; R692-D694 IonicContact NE-OD2 2.69Å; R692-D694 IonicContact NH2-OD1 2.73Å; R692-D694 IonicContact NH2-OD2 2.6Å; R692-D694 PolarHBondContact O-N 3.43Å; R692-I695 HydrophobicContact CB-CD1 3.75Å; R692-I695 HydrophobicContact CB-CG1 4.07Å; R692-I695 HydrophobicContact CG-CD1 4.29Å; R692-I695 PolarHBondContact O-N 3.21Å
693	P	96.9	Very high	97.1	Very high	90 Å²	90	36.5 Å²	36.5	58%	0.584	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.9	174.6	33.2	-37.4	0	0	0	112.9	G691 I695	G691-P693 WeakPolarHBondContact O-CD 3.37Å; P693-I695 VanDerWaalsContact C-N 3.34Å
694	D	96.4	Very high	96.6	Very high	45 Å²	45	37.2 Å²	37.2	24%	0.241	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.5	177	66.3	-43.9	0	0	0	113.6	R692 L696 K744	R692-D694 WeakPolarHBondContact CA-OD1 3.41Å; R692-D694 IonicContact CZ-OD1 2.7Å; R692-D694 IonicContact NE-OD1 3.11Å; R692-D694 PolarHBondContact NE-OD1 2.98Å; R692-D694 IonicContact NE-OD2 2.69Å; R692-D694 IonicContact NH2-OD1 2.73Å; R692-D694 IonicContact NH2-OD2 2.6Å; R692-D694 PolarHBondContact O-N 3.43Å; D694-L696 PolarHBondContact O-N 3.25Å; D694-K744 IonicContact OD2-NZ 2.66Å; D694-K744 PolarHBondContact OD2-NZ 3.3Å
695	I	98.4	Very high	96.1	Very high	8 Å²	8	39 Å²	39	4%	0.041	24%	0.24	C	C	.	.	S	Bend	trans	-72.5	118.5	174.6	-63.6	177.7	0	0	0	108.6	A659 V660 V664 V667 L687 R692 P693	A659-I695 HydrophobicContact CB-CD1 4.45Å; V660-I695 HydrophobicContact CG2-CD1 4.14Å; V664-I695 HydrophobicContact CG2-CD1 4.49Å; V664-I695 HydrophobicContact CG2-CG2 3.96Å; V667-I695 HydrophobicContact CG2-CG2 3.9Å; L687-I695 HydrophobicContact CD1-CG2 4.44Å; L687-I695 HydrophobicContact CD2-CB 4.4Å; L687-I695 HydrophobicContact CD2-CD1 4.18Å; L687-I695 HydrophobicContact CD2-CG2 4.47Å; R692-I695 HydrophobicContact CB-CD1 3.75Å; R692-I695 HydrophobicContact CB-CG1 4.07Å; R692-I695 HydrophobicContact CG-CD1 4.29Å; R692-I695 PolarHBondContact O-N 3.21Å; P693-I695 VanDerWaalsContact C-N 3.34Å
696	L	98.6	Very high	95.6	Very high	24 Å²	24	37.1 Å²	37.1	13%	0.126	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	146.5	-179.4	-59.2	-179.1	0	0	0	111.4	H665 A666 V667 D694 M698 D736 I737 C740	H665-L696 PolarHBondContact O-N 3.24Å; H665-L696 VanDerWaalsContact O-N 3.15Å; A666-L696 CarbonylContact C-O 3.6Å; A666-L696 VanDerWaalsContact CA-O 3.24Å; A666-L696 WeakPolarHBondContact CA-O 3.47Å; A666-L696 HydrophobicContact CB-CB 4.06Å; V667-L696 PolarHBondContact N-O 3.41Å; D694-L696 PolarHBondContact O-N 3.25Å; L696-M698 HydrophobicContact CB-CE 4.29Å; L696-M698 HydrophobicContact CD1-CE 4.09Å; L696-D736 HydrophobicContact CD1-CB 4.14Å; L696-I737 HydrophobicContact CD1-CG1 3.96Å; L696-C740 HydrophobicContact CD1-CB 4.16Å; L696-C740 HydrophobicContact CD2-CB 4.02Å; L696-C740 HydrophobicContact CG-CB 4.39Å
697	V	98.8	Very high	95.3	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.6	173.3	179.4	0	0	0	0	109.3	V669 V680 L683 I684 L687 V716 S717	V669-V697 HydrophobicContact CG2-CG1 4.23Å; V680-V697 HydrophobicContact CG1-CG1 4.18Å; L683-V697 HydrophobicContact CD2-CG1 4.18Å; L683-V697 HydrophobicContact CD2-CG2 4.35Å; I684-V697 HydrophobicContact CD1-CB 4.39Å; I684-V697 HydrophobicContact CG1-CB 4.18Å; I684-V697 HydrophobicContact CG1-CG1 4.4Å; I684-V697 HydrophobicContact CG1-CG2 3.79Å; L687-V697 HydrophobicContact CD1-CG2 3.66Å; V697-V716 HydrophobicContact CG1-CG2 4.43Å; V697-V716 WeakPolarHBondContact O-CA 3.42Å; V697-S717 PolarHBondContact O-N 3.15Å
698	M	98.4	Very high	95.1	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.5	174.1	-55.4	-63.3	179.4	0	0	108.9	V667 V669 L696 N718 F720 V733 D736	V667-M698 PolarHBondContact O-N 3.28Å; V669-M698 PolarHBondContact N-O 3.33Å; L696-M698 HydrophobicContact CB-CE 4.29Å; L696-M698 HydrophobicContact CD1-CE 4.09Å; M698-N718 HydrophobicContact CE-CB 4.36Å; M698-N718 HydrophobicContact SD-CB 3.33Å; M698-N718 WeakPolarHBondContact SD-CB 3.4Å; M698-F720 HydrophobicContact CB-CE2 4.24Å; M698-F720 HydrophobicContact CG-CE2 4.46Å; M698-F720 HydrophobicContact SD-CE2 4.34Å; M698-V733 HydrophobicContact CG-CG2 4.45Å; M698-D736 HydrophobicContact CE-CB 3.56Å; M698-D736 WeakPolarHBondContact CE-OD2 3.33Å
699	C	98.1	Very high	95	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.7	175.4	-70	0	0	0	0	111	V669 I703 V716 N718 I719 F720	V669-C699 CarbonylContact O-C 3.51Å; V669-C699 WeakPolarHBondContact O-CA 3.43Å; C699-I703 HydrophobicContact CB-CD1 3.69Å; C699-V716 HydrophobicContact CB-CG1 4.13Å; C699-N718 PolarHBondContact N-O 3.43Å; C699-I719 HydrophobicContact CB-CG1 4.44Å; C699-I719 CarbonylContact O-C 3.55Å; C699-I719 VanDerWaalsContact O-CA 3.31Å; C699-I719 WeakPolarHBondContact O-CA 3.36Å; C699-F720 PolarHBondContact O-N 3.29Å
700	G	96.3	Very high	94.9	Very high	12 Å²	12	42 Å²	42	12%	0.124	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.6	169.4	0	0	0	0	0	112.9	V669 S670 T671 F720	V669-G700 PolarHBondContact O-N 2.98Å; S670-G700 CarbonylContact C-O 3.53Å; S670-G700 WeakPolarHBondContact CA-O 3.45Å; T671-G700 PolarHBondContact N-O 3.29Å; G700-F720 WeakPolarHBondContact CA-O 3.4Å
701	G	93.6	Very high	94.8	Very high	18 Å²	18	39.9 Å²	39.9	19%	0.186	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.7	-157.3	-171.8	0	0	0	0	0	111.7	T671 I703 F720 P722	T671-G701 CarbonylContact O-C 3.53Å; T671-G701 WeakPolarHBondContact O-CA 3.49Å; G701-I703 PolarHBondContact O-N 3.41Å; G701-F720 PolarHBondContact N-O 3.46Å; G701-P722 WeakPolarHBondContact O-CD 3.38Å
702	V	91.3	Very high	94.8	Very high	39 Å²	39	42.1 Å²	42.1	24%	0.236	22%	0.217	C	C	.	.	S	Bend	trans	-81.1	91.7	-175.2	-178.1	0	0	0	0	109.2	A391 T671 L672	A391-V702 WeakPolarHBondContact O-CG1 3.32Å; T671-V702 PolarHBondContact O-N 3.27Å; L672-V702 HydrophobicContact CD2-CG2 4.47Å; L672-V702 HydrophobicContact CG-CG2 4.34Å
703	I	91.2	Very high	94.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	24%	0.241	C	C	.	.			trans	-121.4	116.7	178	-58.3	171.4	0	0	0	106.8	T671 C699 G701 D707 Y708 L711 I719	T671-I703 HydrophobicContact CG2-CD1 3.74Å; T671-I703 HydrophobicContact CG2-CG1 3.8Å; C699-I703 HydrophobicContact CB-CD1 3.69Å; G701-I703 PolarHBondContact O-N 3.41Å; I703-D707 HydrophobicContact CG2-CB 4.3Å; I703-Y708 HydrophobicContact CB-CE1 3.97Å; I703-Y708 HydrophobicContact CG2-CD1 3.82Å; I703-Y708 HydrophobicContact CG2-CE1 3.62Å; I703-Y708 WeakPolarHBondContact O-CE1 3.48Å; I703-L711 HydrophobicContact CD1-CD1 4.19Å; I703-L711 HydrophobicContact CG2-CD1 3.73Å; I703-I719 HydrophobicContact CD1-CG2 3.96Å
704	P	87.8	Confident	94.8	Very high	16 Å²	16	43.9 Å²	43.9	10%	0.104	23%	0.225	C	C	.	.			trans	-62.9	138.6	177.7	-23.1	33.9	0	0	0	111.4	Q706 D707 Y708	P704-Q706 HydrophobicContact CB-CG 4.19Å; P704-Q706 VanDerWaalsContact CB-OE1 3.26Å; P704-Q706 PolarHBondContact O-N 3.13Å; P704-D707 WeakPolarHBondContact O-CB 3.5Å; P704-D707 PolarHBondContact O-N 2.96Å; P704-Y708 WeakPolarHBondContact O-CD1 3.48Å
705	P	87.1	Confident	94.8	Very high	69 Å²	69	43.7 Å²	43.7	45%	0.448	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-53.1	-32	-178.9	-30.9	36.5	0	0	0	114.7	D707 Y708	P705-D707 PolarHBondContact O-N 3.38Å; P705-Y708 WeakPolarHBondContact O-CB 3.36Å; P705-Y708 PolarHBondContact O-N 3.44Å; P705-Y708 VanDerWaalsContact O-N 3.17Å
706	Q	88.5	Confident	94.7	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.3	-16.7	176.8	65.3	-89.3	23.9	0	0	114.5	P704	P704-Q706 HydrophobicContact CB-CG 4.19Å; P704-Q706 VanDerWaalsContact CB-OE1 3.26Å; P704-Q706 PolarHBondContact O-N 3.13Å
707	D	91.4	Very high	94.7	Very high	19 Å²	19	44.6 Å²	44.6	10%	0.102	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-92.6	-3.5	177.4	-71.7	-28	0	0	0	112.7	H676 K677 I703 P704 P705 F710 L711	H676-D707 IonicContact CD2-OD2 3.18Å; H676-D707 IonicContact CE1-OD2 2.98Å; H676-D707 IonicContact NE2-OD2 3.74Å; H676-D707 PolarHBondContact NE2-OD2 3.2Å; K677-D707 WeakPolarHBondContact CD-OD1 3.37Å; K677-D707 WeakPolarHBondContact CE-OD1 3.41Å; K677-D707 IonicContact NZ-OD1 2.7Å; K677-D707 PolarHBondContact NZ-OD1 3.37Å; I703-D707 HydrophobicContact CG2-CB 4.3Å; P704-D707 WeakPolarHBondContact O-CB 3.5Å; P704-D707 PolarHBondContact O-N 2.96Å; P705-D707 PolarHBondContact O-N 3.38Å; D707-F710 PolarHBondContact O-N 2.89Å; D707-L711 WeakPolarHBondContact O-CG 3.5Å; D707-L711 PolarHBondContact O-N 3.27Å; D707-L711 VanDerWaalsContact O-N 3.15Å
708	Y	93.6	Very high	94.7	Very high	51 Å²	51	45.7 Å²	45.7	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-48	-172.6	-79.7	29.3	0	0	0	112	I703 P704 P705 F710 L711 Y712 I719	I703-Y708 HydrophobicContact CB-CE1 3.97Å; I703-Y708 HydrophobicContact CG2-CD1 3.82Å; I703-Y708 HydrophobicContact CG2-CE1 3.62Å; I703-Y708 WeakPolarHBondContact O-CE1 3.48Å; P704-Y708 WeakPolarHBondContact O-CD1 3.48Å; P705-Y708 WeakPolarHBondContact O-CB 3.36Å; P705-Y708 PolarHBondContact O-N 3.44Å; P705-Y708 VanDerWaalsContact O-N 3.17Å; Y708-F710 VanDerWaalsContact C-N 3.31Å; Y708-F710 PolarHBondContact O-N 3.47Å; Y708-L711 PolarHBondContact O-N 3.49Å; Y708-L711 VanDerWaalsContact O-N 3.08Å; Y708-Y712 HydrophobicContact CD2-CE2 4.49Å; Y708-Y712 WeakPolarHBondContact O-CD2 3.25Å; Y708-Y712 PolarHBondContact O-N 3.21Å; Y708-I719 HydrophobicContact CD1-CD1 3.9Å; Y708-I719 HydrophobicContact CD1-CG2 4.2Å; Y708-I719 HydrophobicContact CD2-CB 4.28Å; Y708-I719 HydrophobicContact CD2-CD1 3.93Å; Y708-I719 HydrophobicContact CD2-CG2 4.29Å; Y708-I719 HydrophobicContact CE1-CD1 4.46Å; Y708-I719 HydrophobicContact CE1-CG2 3.69Å; Y708-I719 HydrophobicContact CE2-CB 4.08Å; Y708-I719 HydrophobicContact CE2-CG2 3.81Å; Y708-I719 HydrophobicContact CG-CD1 3.6Å; Y708-I719 HydrophobicContact CG-CG2 4.48Å; Y708-I719 VanDerWaalsContact CZ-CG2 3.47Å
709	E	95.9	Very high	94.6	Very high	142 Å²	142	46.2 Å²	46.2	66%	0.664	25%	0.251	S	S	*	.	H	α-helix	trans	-58.1	-44.5	179.2	-173.1	171.1	-161	0	0	111.2	L711 Y712 E713	E709-L711 VanDerWaalsContact C-N 3.31Å; E709-L711 PolarHBondContact O-N 3.47Å; E709-Y712 PolarHBondContact O-N 3.02Å; E709-E713 WeakPolarHBondContact O-CG 3.41Å; E709-E713 PolarHBondContact O-N 3.39Å
710	F	95.8	Very high	94.6	Very high	79 Å²	79	47.5 Å²	47.5	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-57.4	-42	174.7	172.9	-89.3	0	0	0	112.7	K677 P681 D707 Y708 A714	K677-F710 HydrophobicContact CB-CE1 3.96Å; K677-F710 HydrophobicContact CB-CZ 4.48Å; K677-F710 HydrophobicContact CG-CD1 4.3Å; K677-F710 HydrophobicContact CG-CE1 4.22Å; P681-F710 HydrophobicContact CG-CE1 4.1Å; P681-F710 HydrophobicContact CG-CZ 4.27Å; D707-F710 PolarHBondContact O-N 2.89Å; Y708-F710 VanDerWaalsContact C-N 3.31Å; Y708-F710 PolarHBondContact O-N 3.47Å; F710-A714 WeakPolarHBondContact O-CB 3.43Å; F710-A714 PolarHBondContact O-N 3.23Å
711	L	97.3	Very high	94.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.4	-39.8	179.4	-72	176.4	0	0	0	111.9	H676 V680 I703 D707 Y708 E709 A714 G715 V716 I719	H676-L711 HydrophobicContact CB-CD2 4.49Å; V680-L711 HydrophobicContact CB-CD2 4.23Å; V680-L711 HydrophobicContact CG1-CD2 4.26Å; I703-L711 HydrophobicContact CD1-CD1 4.19Å; I703-L711 HydrophobicContact CG2-CD1 3.73Å; D707-L711 WeakPolarHBondContact O-CG 3.5Å; D707-L711 PolarHBondContact O-N 3.27Å; D707-L711 VanDerWaalsContact O-N 3.15Å; Y708-L711 PolarHBondContact O-N 3.49Å; Y708-L711 VanDerWaalsContact O-N 3.08Å; E709-L711 VanDerWaalsContact C-N 3.31Å; E709-L711 PolarHBondContact O-N 3.47Å; L711-A714 WeakPolarHBondContact O-CB 3.35Å; L711-A714 PolarHBondContact O-N 2.98Å; L711-G715 PolarHBondContact O-N 3.29Å; L711-V716 HydrophobicContact CB-CB 4.24Å; L711-V716 HydrophobicContact CB-CG2 4Å; L711-V716 HydrophobicContact CD2-CG2 4.42Å; L711-V716 VanDerWaalsContact O-CB 3.25Å; L711-V716 WeakPolarHBondContact O-CB 3.3Å; L711-V716 WeakPolarHBondContact O-CG2 3.48Å; L711-V716 PolarHBondContact O-N 2.85Å; L711-I719 HydrophobicContact CB-CD1 3.95Å; L711-I719 HydrophobicContact CD1-CD1 4Å
712	Y	98	Very high	94.3	Very high	101 Å²	101	48.6 Å²	48.6	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-45.2	173.8	-68.1	-54.7	0	0	0	111.6	Y708 E709 A714 G715 V716 I719	Y708-Y712 HydrophobicContact CD2-CE2 4.49Å; Y708-Y712 WeakPolarHBondContact O-CD2 3.25Å; Y708-Y712 PolarHBondContact O-N 3.21Å; E709-Y712 PolarHBondContact O-N 3.02Å; Y712-A714 PolarHBondContact O-N 2.98Å; Y712-G715 PolarHBondContact O-N 3.45Å; Y712-V716 WeakPolarHBondContact CD1-O 3.48Å; Y712-I719 HydrophobicContact CD2-CD1 4.42Å; Y712-I719 HydrophobicContact CE1-CD1 4.12Å; Y712-I719 HydrophobicContact CE1-CG1 4.05Å; Y712-I719 HydrophobicContact CE2-CD1 3.93Å
713	E	97.5	Very high	94.3	Very high	149 Å²	149	48.8 Å²	48.8	70%	0.696	27%	0.27	S	S	*	.	H	α-helix	trans	-61.4	-32.4	174.5	-72.2	-179.8	165.6	0	0	112.7	E709 G715	E709-E713 WeakPolarHBondContact O-CG 3.41Å; E709-E713 PolarHBondContact O-N 3.39Å; E713-G715 PolarHBondContact O-N 3.2Å
714	A	95.9	Very high	94.5	Very high	29 Å²	29	50.8 Å²	50.8	24%	0.24	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.4	175	0	0	0	0	0	113.7	P681 I684 F710 L711 Y712	P681-A714 HydrophobicContact CB-CB 4.41Å; P681-A714 HydrophobicContact CG-CB 4.05Å; I684-A714 WeakPolarHBondContact CD1-O 3.47Å; F710-A714 WeakPolarHBondContact O-CB 3.43Å; F710-A714 PolarHBondContact O-N 3.23Å; L711-A714 WeakPolarHBondContact O-CB 3.35Å; L711-A714 PolarHBondContact O-N 2.98Å; Y712-A714 PolarHBondContact O-N 2.98Å
715	G	96.6	Very high	95	Very high	42 Å²	42	53.8 Å²	53.8	43%	0.433	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.2	12.6	177.3	0	0	0	0	0	115.4	L711 Y712 E713	L711-G715 PolarHBondContact O-N 3.29Å; Y712-G715 PolarHBondContact O-N 3.45Å; E713-G715 PolarHBondContact O-N 3.2Å
716	V	98.3	Very high	95.5	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.042	27%	0.271	C	S	.	.			trans	-70.1	136.2	171.5	176	0	0	0	0	109.7	V680 I684 V697 C699 L711 Y712 N718 I719	V680-V716 HydrophobicContact CG1-CG2 3.45Å; V680-V716 VanDerWaalsContact CG1-CG2 3.45Å; I684-V716 HydrophobicContact CD1-CG2 4.23Å; V697-V716 HydrophobicContact CG1-CG2 4.43Å; V697-V716 WeakPolarHBondContact O-CA 3.42Å; C699-V716 HydrophobicContact CB-CG1 4.13Å; L711-V716 HydrophobicContact CB-CB 4.24Å; L711-V716 HydrophobicContact CB-CG2 4Å; L711-V716 HydrophobicContact CD2-CG2 4.42Å; L711-V716 VanDerWaalsContact O-CB 3.25Å; L711-V716 WeakPolarHBondContact O-CB 3.3Å; L711-V716 WeakPolarHBondContact O-CG2 3.48Å; L711-V716 PolarHBondContact O-N 2.85Å; Y712-V716 WeakPolarHBondContact CD1-O 3.48Å; V716-N718 VanDerWaalsContact CG1-O 3.3Å; V716-N718 WeakPolarHBondContact CG1-O 3.47Å; V716-I719 HydrophobicContact CG1-CG1 4.01Å
717	S	97.9	Very high	96	Very high	43 Å²	43	45.6 Å²	45.6	30%	0.301	25%	0.248	S	C	.	.			trans	-85.3	-38	-178.7	-48.4	0	0	0	0	112.7	V697	V697-S717 PolarHBondContact O-N 3.15Å
718	N	97.8	Very high	96.3	Very high	28 Å²	28	50.5 Å²	50.5	15%	0.15	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.2	-177.1	-143.6	-33.7	0	0	0	112	M698 C699 V716 F720 D736	M698-N718 HydrophobicContact CE-CB 4.36Å; M698-N718 HydrophobicContact SD-CB 3.33Å; M698-N718 WeakPolarHBondContact SD-CB 3.4Å; C699-N718 PolarHBondContact N-O 3.43Å; V716-N718 VanDerWaalsContact CG1-O 3.3Å; V716-N718 WeakPolarHBondContact CG1-O 3.47Å; N718-F720 HydrophobicContact CB-CE2 3.92Å; N718-F720 HydrophobicContact CB-CZ 4.04Å; N718-D736 PolarHBondContact ND2-OD2 3.23Å
719	I	97.7	Very high	96.5	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.072	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	125	-178.9	-56.3	172.6	0	0	0	110.3	C699 I703 Y708 L711 Y712 V716	C699-I719 HydrophobicContact CB-CG1 4.44Å; C699-I719 CarbonylContact O-C 3.55Å; C699-I719 VanDerWaalsContact O-CA 3.31Å; C699-I719 WeakPolarHBondContact O-CA 3.36Å; I703-I719 HydrophobicContact CD1-CG2 3.96Å; Y708-I719 HydrophobicContact CD1-CD1 3.9Å; Y708-I719 HydrophobicContact CD1-CG2 4.2Å; Y708-I719 HydrophobicContact CD2-CB 4.28Å; Y708-I719 HydrophobicContact CD2-CD1 3.93Å; Y708-I719 HydrophobicContact CD2-CG2 4.29Å; Y708-I719 HydrophobicContact CE1-CD1 4.46Å; Y708-I719 HydrophobicContact CE1-CG2 3.69Å; Y708-I719 HydrophobicContact CE2-CB 4.08Å; Y708-I719 HydrophobicContact CE2-CG2 3.81Å; Y708-I719 HydrophobicContact CG-CD1 3.6Å; Y708-I719 HydrophobicContact CG-CG2 4.48Å; Y708-I719 VanDerWaalsContact CZ-CG2 3.47Å; L711-I719 HydrophobicContact CB-CD1 3.95Å; L711-I719 HydrophobicContact CD1-CD1 4Å; Y712-I719 HydrophobicContact CD2-CD1 4.42Å; Y712-I719 HydrophobicContact CE1-CD1 4.12Å; Y712-I719 HydrophobicContact CE1-CG1 4.05Å; Y712-I719 HydrophobicContact CE2-CD1 3.93Å; V716-I719 HydrophobicContact CG1-CG1 4.01Å
720	F	96.8	Very high	96.6	Very high	30 Å²	30	41.5 Å²	41.5	13%	0.132	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	95.3	-177.1	-60	-77.2	0	0	0	111.3	M698 C699 G700 G701 N718 T724 A729 Q732 V733	M698-F720 HydrophobicContact CB-CE2 4.24Å; M698-F720 HydrophobicContact CG-CE2 4.46Å; M698-F720 HydrophobicContact SD-CE2 4.34Å; C699-F720 PolarHBondContact O-N 3.29Å; G700-F720 WeakPolarHBondContact CA-O 3.4Å; G701-F720 PolarHBondContact N-O 3.46Å; N718-F720 HydrophobicContact CB-CE2 3.92Å; N718-F720 HydrophobicContact CB-CZ 4.04Å; F720-T724 HydrophobicContact CB-CG2 4.14Å; F720-T724 HydrophobicContact CD1-CG2 3.8Å; F720-T724 HydrophobicContact CG-CG2 4.37Å; F720-A729 HydrophobicContact CD1-CB 3.9Å; F720-A729 HydrophobicContact CE1-CB 3.76Å; F720-A729 HydrophobicContact CZ-CB 4.42Å; F720-Q732 HydrophobicContact CE1-CB 4.26Å; F720-Q732 HydrophobicContact CZ-CB 4.29Å; F720-V733 HydrophobicContact CE2-CG2 3.87Å; F720-V733 HydrophobicContact CZ-CG2 3.75Å
721	G	91.6	Very high	96.7	Very high	12 Å²	12	39.6 Å²	39.6	12%	0.124	22%	0.224	C	C	.	.			trans	-77.8	174.3	179	0	0	0	0	0	114.6	T724	G721-T724 WeakPolarHBondContact O-CB 3.35Å; G721-T724 PolarHBondContact O-N 3.26Å; G721-T724 PolarHBondContact O-OG1 2.93Å
722	P	91.9	Very high	96.8	Very high	40 Å²	40	42.4 Å²	42.4	26%	0.26	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	137.8	169.5	-29.1	30.3	0	0	0	113.7	E358 Q359 G701 T724	E358-P722 HydrophobicContact CB-CB 4.06Å; E358-P722 HydrophobicContact CB-CG 4.27Å; E358-P722 WeakPolarHBondContact OE2-CD 3.39Å; E358-P722 WeakPolarHBondContact OE2-CG 3.5Å; Q359-P722 PolarHBondContact NE2-O 2.67Å; G701-P722 WeakPolarHBondContact O-CD 3.38Å; P722-T724 VanDerWaalsContact C-N 3.34Å
723	G	92.2	Very high	96.8	Very high	44 Å²	44	37.9 Å²	37.9	45%	0.454	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-2.2	-177.9	0	0	0	0	0	115.1	R725	G723-R725 PolarHBondContact O-N 3.21Å
724	T	96.1	Very high	96.8	Very high	45 Å²	45	30.8 Å²	30.8	28%	0.276	19%	0.187	S	C	.	.			trans	-58.9	127.8	172.7	-66.2	0	0	0	0	111.6	F720 G721 P722 A729	F720-T724 HydrophobicContact CB-CG2 4.14Å; F720-T724 HydrophobicContact CD1-CG2 3.8Å; F720-T724 HydrophobicContact CG-CG2 4.37Å; G721-T724 WeakPolarHBondContact O-CB 3.35Å; G721-T724 PolarHBondContact O-N 3.26Å; G721-T724 PolarHBondContact O-OG1 2.93Å; P722-T724 VanDerWaalsContact C-N 3.34Å; T724-A729 HydrophobicContact CG2-CB 3.71Å
725	R	97.6	Very high	96.9	Very high	78 Å²	78	32.6 Å²	32.6	29%	0.294	19%	0.192	S	C	.	.			trans	-83.6	131.1	174.5	-61.9	173.9	72.6	-122.9	-2.3	110.6	D478 E594 G723 K728 A729	D478-R725 HydrophobicContact CB-CG 4.46Å; D478-R725 VanDerWaalsContact O-CZ 3.22Å; D478-R725 PolarHBondContact O-NE 3.18Å; D478-R725 PolarHBondContact O-NH2 3.35Å; D478-R725 WeakPolarHBondContact OD2-CA 3.33Å; E594-R725 IonicContact OE1-CZ 3.75Å; E594-R725 IonicContact OE1-NH1 3.88Å; E594-R725 PolarHBondContact OE1-NH1 2.98Å; E594-R725 IonicContact OE1-NH2 2.77Å; E594-R725 IonicContact OE2-CZ 3.66Å; E594-R725 IonicContact OE2-NH1 2.76Å; E594-R725 PolarHBondContact OE2-NH1 3.01Å; E594-R725 IonicContact OE2-NH2 3.41Å; E594-R725 PolarHBondContact OE2-NH2 3.2Å; G723-R725 PolarHBondContact O-N 3.21Å; R725-K728 HydrophobicContact CB-CB 4.4Å; R725-K728 PolarHBondContact O-N 3.43Å; R725-A729 PolarHBondContact O-N 3.04Å
726	I	98	Very high	97	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-47.9	-176.3	-58.1	-172.8	0	0	0	112.9	Q474 D478 Y585 V631 I632 F636 L639 K728 A729 A730	Q474-I726 HydrophobicContact CG-CD1 4.08Å; Q474-I726 HydrophobicContact CG-CG1 4.4Å; D478-I726 PolarHBondContact OD2-N 3.13Å; Y585-I726 HydrophobicContact CD2-CD1 3.89Å; Y585-I726 HydrophobicContact CE1-CB 4.42Å; Y585-I726 HydrophobicContact CE1-CD1 4.47Å; Y585-I726 HydrophobicContact CE1-CG2 4.49Å; Y585-I726 HydrophobicContact CE2-CB 4.43Å; Y585-I726 HydrophobicContact CE2-CD1 3.54Å; Y585-I726 HydrophobicContact CE2-CG1 4.19Å; V631-I726 HydrophobicContact CG1-CD1 3.74Å; I632-I726 HydrophobicContact CD1-CG1 4.12Å; F636-I726 HydrophobicContact CD2-CG2 3.79Å; F636-I726 HydrophobicContact CE2-CG2 3.92Å; L639-I726 HydrophobicContact CD1-CG2 4.29Å; I726-K728 VanDerWaalsContact C-N 3.25Å; I726-K728 PolarHBondContact O-N 3.04Å; I726-A729 PolarHBondContact O-N 3.49Å; I726-A730 WeakPolarHBondContact O-CB 3.27Å; I726-A730 PolarHBondContact O-N 3.15Å
727	P	97.9	Very high	97	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-32.9	-174.8	-21.6	35.9	0	0	0	112.1	Y585 F589 E594 I595 V731	Y585-P727 WeakPolarHBondContact OH-CD 3.39Å; F589-P727 HydrophobicContact CE2-CG 4.1Å; F589-P727 HydrophobicContact CZ-CG 4.4Å; E594-P727 HydrophobicContact CG-CB 3.84Å; I595-P727 HydrophobicContact CD1-CB 4.12Å; I595-P727 HydrophobicContact CD1-CG 3.54Å; P727-V731 WeakPolarHBondContact O-CG2 3.47Å; P727-V731 PolarHBondContact O-N 3.43Å
728	K	97.6	Very high	97	Very high	122 Å²	122	33.4 Å²	33.4	53%	0.53	18%	0.181	S	C	.	.	H	α-helix	trans	-69.1	-48.8	174.9	-174.4	-178.2	175.9	-175.3	0	110.9	R725 I726 A730 V731 Q732	R725-K728 HydrophobicContact CB-CB 4.4Å; R725-K728 PolarHBondContact O-N 3.43Å; I726-K728 VanDerWaalsContact C-N 3.25Å; I726-K728 PolarHBondContact O-N 3.04Å; K728-A730 VanDerWaalsContact C-N 3.31Å; K728-A730 PolarHBondContact O-N 3.31Å; K728-V731 PolarHBondContact O-N 2.82Å; K728-Q732 WeakPolarHBondContact O-CG 3.41Å; K728-Q732 PolarHBondContact O-N 2.76Å
729	A	98.2	Very high	96.9	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-41.2	177.5	0	0	0	0	0	112	F636 F720 T724 R725 I726 V731 Q732 V733	F636-A729 HydrophobicContact CE2-CB 4.36Å; F636-A729 HydrophobicContact CZ-CB 4.2Å; F720-A729 HydrophobicContact CD1-CB 3.9Å; F720-A729 HydrophobicContact CE1-CB 3.76Å; F720-A729 HydrophobicContact CZ-CB 4.42Å; T724-A729 HydrophobicContact CG2-CB 3.71Å; R725-A729 PolarHBondContact O-N 3.04Å; I726-A729 PolarHBondContact O-N 3.49Å; A729-V731 VanDerWaalsContact C-N 3.32Å; A729-V731 PolarHBondContact O-N 3.36Å; A729-Q732 PolarHBondContact O-N 3.15Å; A729-V733 WeakPolarHBondContact O-CB 3.43Å; A729-V733 WeakPolarHBondContact O-CG2 3.49Å; A729-V733 PolarHBondContact O-N 3.03Å
730	A	98.3	Very high	96.8	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-41.3	177.5	0	0	0	0	0	112.5	F636 L639 F641 I726 K728 L734	F636-A730 HydrophobicContact CD1-CB 4.42Å; F636-A730 HydrophobicContact CD2-CB 4.4Å; F636-A730 HydrophobicContact CE1-CB 4.07Å; F636-A730 HydrophobicContact CE2-CB 4.04Å; F636-A730 VanDerWaalsContact CZ-CA 3.42Å; F636-A730 HydrophobicContact CZ-CB 3.87Å; L639-A730 HydrophobicContact CD1-CB 3.59Å; F641-A730 HydrophobicContact CE2-CB 4.08Å; I726-A730 WeakPolarHBondContact O-CB 3.27Å; I726-A730 PolarHBondContact O-N 3.15Å; K728-A730 VanDerWaalsContact C-N 3.31Å; K728-A730 PolarHBondContact O-N 3.31Å; A730-L734 WeakPolarHBondContact O-CB 3.45Å; A730-L734 PolarHBondContact O-N 3.4Å; A730-L734 VanDerWaalsContact O-N 3.09Å
731	V	98.3	Very high	96.6	Very high	39 Å²	39	39.5 Å²	39.5	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-42.9	175.5	173.8	0	0	0	0	111.3	A598 P727 K728 A729 L734 D735	A598-V731 HydrophobicContact CB-CG2 4.04Å; P727-V731 WeakPolarHBondContact O-CG2 3.47Å; P727-V731 PolarHBondContact O-N 3.43Å; K728-V731 PolarHBondContact O-N 2.82Å; A729-V731 VanDerWaalsContact C-N 3.32Å; A729-V731 PolarHBondContact O-N 3.36Å; V731-L734 WeakPolarHBondContact O-CB 3.47Å; V731-L734 PolarHBondContact O-N 3.05Å; V731-D735 PolarHBondContact O-N 3.15Å
732	Q	98.3	Very high	96.7	Very high	59 Å²	59	40.9 Å²	40.9	28%	0.276	22%	0.221	S	C	.	.	H	α-helix	trans	-62.8	-45.1	178.4	-69.9	174.7	-65.2	0	0	112.1	F720 K728 A729 L734 D735 D736	F720-Q732 HydrophobicContact CE1-CB 4.26Å; F720-Q732 HydrophobicContact CZ-CB 4.29Å; K728-Q732 WeakPolarHBondContact O-CG 3.41Å; K728-Q732 PolarHBondContact O-N 2.76Å; A729-Q732 PolarHBondContact O-N 3.15Å; Q732-L734 VanDerWaalsContact C-N 3.28Å; Q732-L734 PolarHBondContact O-N 3.49Å; Q732-D735 PolarHBondContact O-N 3.09Å; Q732-D736 PolarHBondContact O-N 3.43Å
733	V	98.5	Very high	96.6	Very high	5 Å²	5	44 Å²	44	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-40.9	174.9	170.4	0	0	0	0	110.9	F636 F641 M698 F720 A729 D736 I737	F636-V733 HydrophobicContact CE1-CB 4.21Å; F636-V733 HydrophobicContact CE1-CG1 4.37Å; F636-V733 HydrophobicContact CE1-CG2 4.18Å; F636-V733 HydrophobicContact CZ-CG2 4.26Å; F641-V733 HydrophobicContact CE1-CG1 4.24Å; M698-V733 HydrophobicContact CG-CG2 4.45Å; F720-V733 HydrophobicContact CE2-CG2 3.87Å; F720-V733 HydrophobicContact CZ-CG2 3.75Å; A729-V733 WeakPolarHBondContact O-CB 3.43Å; A729-V733 WeakPolarHBondContact O-CG2 3.49Å; A729-V733 PolarHBondContact O-N 3.03Å; V733-D736 PolarHBondContact O-N 3.5Å; V733-I737 HydrophobicContact CG1-CD1 3.82Å; V733-I737 WeakPolarHBondContact O-CD1 3.46Å; V733-I737 VanDerWaalsContact O-CG1 3.26Å; V733-I737 WeakPolarHBondContact O-CG1 3.39Å; V733-I737 PolarHBondContact O-N 3.3Å; V733-I737 VanDerWaalsContact O-N 3.08Å
734	L	98.3	Very high	96.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-42.9	177.3	-169.1	66.1	0	0	0	112	R601 V602 F605 P613 F641 A730 V731 Q732 D736 I737 E738	R601-L734 HydrophobicContact CB-CD2 3.74Å; V602-L734 HydrophobicContact CG2-CD2 4.3Å; F605-L734 HydrophobicContact CB-CD1 3.93Å; F605-L734 HydrophobicContact CD2-CD1 3.51Å; F605-L734 HydrophobicContact CD2-CG 4.47Å; F605-L734 HydrophobicContact CE2-CD1 4.12Å; F605-L734 HydrophobicContact CG-CD1 3.74Å; P613-L734 HydrophobicContact CB-CD1 3.89Å; P613-L734 HydrophobicContact CG-CD1 4Å; F641-L734 HydrophobicContact CZ-CB 4.37Å; A730-L734 WeakPolarHBondContact O-CB 3.45Å; A730-L734 PolarHBondContact O-N 3.4Å; A730-L734 VanDerWaalsContact O-N 3.09Å; V731-L734 WeakPolarHBondContact O-CB 3.47Å; V731-L734 PolarHBondContact O-N 3.05Å; Q732-L734 VanDerWaalsContact C-N 3.28Å; Q732-L734 PolarHBondContact O-N 3.49Å; L734-D736 VanDerWaalsContact C-N 3.33Å; L734-D736 PolarHBondContact O-N 3.48Å; L734-I737 PolarHBondContact O-N 3.14Å; L734-E738 HydrophobicContact CG-CG 4.49Å; L734-E738 WeakPolarHBondContact O-CB 3.31Å; L734-E738 WeakPolarHBondContact O-CG 3.32Å; L734-E738 PolarHBondContact O-N 2.89Å
735	D	98.3	Very high	95.5	Very high	66 Å²	66	49.7 Å²	49.7	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-44.1	176.5	-66.8	-26	0	0	0	111.1	R601 V731 Q732 E738 K739	R601-D735 IonicContact CZ-OD1 2.64Å; R601-D735 IonicContact NH1-OD1 3.62Å; R601-D735 PolarHBondContact NH1-OD1 3Å; R601-D735 IonicContact NH2-OD1 2.67Å; R601-D735 PolarHBondContact NH2-OD1 3.05Å; V731-D735 PolarHBondContact O-N 3.15Å; Q732-D735 PolarHBondContact O-N 3.09Å; D735-E738 PolarHBondContact O-N 3.16Å; D735-K739 WeakPolarHBondContact O-CB 3.38Å; D735-K739 PolarHBondContact O-N 2.91Å
736	D	98	Very high	94.5	Very high	42 Å²	42	54 Å²	54	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-41.4	179.6	-68.4	-27.5	0	0	0	111.8	L696 M698 N718 Q732 V733 L734 C740	L696-D736 HydrophobicContact CD1-CB 4.14Å; M698-D736 HydrophobicContact CE-CB 3.56Å; M698-D736 WeakPolarHBondContact CE-OD2 3.33Å; N718-D736 PolarHBondContact ND2-OD2 3.23Å; Q732-D736 PolarHBondContact O-N 3.43Å; V733-D736 PolarHBondContact O-N 3.5Å; L734-D736 VanDerWaalsContact C-N 3.33Å; L734-D736 PolarHBondContact O-N 3.48Å; D736-C740 WeakPolarHBondContact O-CB 3.25Å; D736-C740 PolarHBondContact O-N 3.02Å
737	I	98	Very high	93.2	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-64.1	-49.1	175.1	-66.9	165.2	0	0	0	110.7	F605 H665 A666 L696 V733 L734 K739 C740 L741	F605-I737 HydrophobicContact CE2-CG2 3.84Å; F605-I737 HydrophobicContact CZ-CG2 4.02Å; H665-I737 HydrophobicContact CB-CD1 3.82Å; H665-I737 HydrophobicContact CB-CG1 4.09Å; H665-I737 HydrophobicContact CB-CG2 3.92Å; A666-I737 HydrophobicContact CB-CD1 4.33Å; L696-I737 HydrophobicContact CD1-CG1 3.96Å; V733-I737 HydrophobicContact CG1-CD1 3.82Å; V733-I737 WeakPolarHBondContact O-CD1 3.46Å; V733-I737 VanDerWaalsContact O-CG1 3.26Å; V733-I737 WeakPolarHBondContact O-CG1 3.39Å; V733-I737 PolarHBondContact O-N 3.3Å; V733-I737 VanDerWaalsContact O-N 3.08Å; L734-I737 PolarHBondContact O-N 3.14Å; I737-K739 VanDerWaalsContact C-N 3.29Å; I737-K739 PolarHBondContact O-N 3.35Å; I737-C740 PolarHBondContact O-N 3.39Å; I737-L741 HydrophobicContact CG2-CD1 3.91Å; I737-L741 HydrophobicContact CG2-CG 4.35Å; I737-L741 WeakPolarHBondContact O-CG 3.21Å; I737-L741 PolarHBondContact O-N 3.1Å
738	E	97.4	Very high	91.4	Very high	64 Å²	64	67 Å²	67	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-41.2	179.6	-75.5	175.6	171.1	0	0	111.4	R601 F605 L734 D735 L741 A742	R601-E738 IonicContact CZ-OE2 3.74Å; R601-E738 IonicContact NH2-OE1 3.95Å; R601-E738 IonicContact NH2-OE2 3.6Å; R601-E738 PolarHBondContact NH2-OE2 3.19Å; F605-E738 HydrophobicContact CD2-CG 3.81Å; F605-E738 HydrophobicContact CE2-CG 4.16Å; L734-E738 HydrophobicContact CG-CG 4.49Å; L734-E738 WeakPolarHBondContact O-CB 3.31Å; L734-E738 WeakPolarHBondContact O-CG 3.32Å; L734-E738 PolarHBondContact O-N 2.89Å; D735-E738 PolarHBondContact O-N 3.16Å; E738-L741 PolarHBondContact O-N 3.35Å; E738-A742 WeakPolarHBondContact O-CB 3.34Å; E738-A742 PolarHBondContact O-N 3.18Å
739	K	96.6	Very high	91.1	Very high	133 Å²	133	64.3 Å²	64.3	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-63	-47.3	176.3	-175.6	-177.1	173	-168.3	0	111.9	D735 I737 L741 A742 E743	D735-K739 WeakPolarHBondContact O-CB 3.38Å; D735-K739 PolarHBondContact O-N 2.91Å; I737-K739 VanDerWaalsContact C-N 3.29Å; I737-K739 PolarHBondContact O-N 3.35Å; K739-L741 PolarHBondContact O-N 3.09Å; K739-A742 PolarHBondContact O-N 2.89Å; K739-E743 WeakPolarHBondContact CE-OE1 3.48Å; K739-E743 WeakPolarHBondContact O-CG 3.37Å; K739-E743 PolarHBondContact O-N 3.15Å
740	C	95.1	Very high	90.7	Very high	32 Å²	32	67.6 Å²	67.6	22%	0.216	35%	0.346	C	S	.	.	H	α-helix	trans	-61.8	-42.8	178.9	-177.3	0	0	0	0	112	L696 D736 I737 A742 E743 K744	L696-C740 HydrophobicContact CD1-CB 4.16Å; L696-C740 HydrophobicContact CD2-CB 4.02Å; L696-C740 HydrophobicContact CG-CB 4.39Å; D736-C740 WeakPolarHBondContact O-CB 3.25Å; D736-C740 PolarHBondContact O-N 3.02Å; I737-C740 PolarHBondContact O-N 3.39Å; C740-A742 PolarHBondContact O-N 2.87Å; C740-E743 PolarHBondContact O-N 3.47Å; C740-K744 PolarHBondContact O-N 2.78Å
741	L	93.6	Very high	90.3	Very high	35 Å²	35	71.2 Å²	71.2	18%	0.183	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-39.7	177	-69.4	175.1	0	0	0	112.2	F605 E609 I737 E738 K739 K744 Q745	F605-L741 HydrophobicContact CE2-CD1 4.02Å; F605-L741 HydrophobicContact CZ-CD1 4.11Å; E609-L741 HydrophobicContact CG-CD1 4.19Å; I737-L741 HydrophobicContact CG2-CD1 3.91Å; I737-L741 HydrophobicContact CG2-CG 4.35Å; I737-L741 WeakPolarHBondContact O-CG 3.21Å; I737-L741 PolarHBondContact O-N 3.1Å; E738-L741 PolarHBondContact O-N 3.35Å; K739-L741 PolarHBondContact O-N 3.09Å; L741-K744 WeakPolarHBondContact O-CB 3.47Å; L741-K744 PolarHBondContact O-N 3.47Å; L741-Q745 WeakPolarHBondContact O-CG 3.46Å; L741-Q745 PolarHBondContact O-N 2.88Å
742	A	92.1	Very high	89.8	Confident	40 Å²	40	73.1 Å²	73.1	33%	0.331	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-41.7	176.3	0	0	0	0	0	112.3	E738 K739 C740 K744 Q745 Q746	E738-A742 WeakPolarHBondContact O-CB 3.34Å; E738-A742 PolarHBondContact O-N 3.18Å; K739-A742 PolarHBondContact O-N 2.89Å; C740-A742 PolarHBondContact O-N 2.87Å; A742-K744 VanDerWaalsContact C-N 3.32Å; A742-K744 PolarHBondContact O-N 3.16Å; A742-Q745 PolarHBondContact O-N 3.25Å; A742-Q746 WeakPolarHBondContact O-CG 3.49Å; A742-Q746 PolarHBondContact O-N 3.27Å
743	E	90.3	Very high	89.2	Confident	107 Å²	107	73.9 Å²	73.9	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-40.6	174.5	-72	172.9	-175.7	0	0	111.2	K739 C740 Q746 S747	K739-E743 WeakPolarHBondContact CE-OE1 3.48Å; K739-E743 WeakPolarHBondContact O-CG 3.37Å; K739-E743 PolarHBondContact O-N 3.15Å; C740-E743 PolarHBondContact O-N 3.47Å; E743-Q746 PolarHBondContact O-N 3.26Å; E743-S747 PolarHBondContact O-N 2.82Å; E743-S747 PolarHBondContact O-OG 3.49Å
744	K	84.2	Confident	88.6	Confident	85 Å²	85	78.5 Å²	78.5	37%	0.37	40%	0.401	S	S	.	.	H	α-helix	trans	-62.4	-44.9	175.5	-163.3	178.8	-178	173.5	0	111.8	D694 C740 L741 A742 Q746 S747 M748	D694-K744 IonicContact OD2-NZ 2.66Å; D694-K744 PolarHBondContact OD2-NZ 3.3Å; C740-K744 PolarHBondContact O-N 2.78Å; L741-K744 WeakPolarHBondContact O-CB 3.47Å; L741-K744 PolarHBondContact O-N 3.47Å; A742-K744 VanDerWaalsContact C-N 3.32Å; A742-K744 PolarHBondContact O-N 3.16Å; K744-Q746 VanDerWaalsContact C-N 3.28Å; K744-Q746 PolarHBondContact O-N 3.36Å; K744-S747 WeakPolarHBondContact CA-OG 3.44Å; K744-S747 PolarHBondContact O-N 3Å; K744-S747 PolarHBondContact O-OG 3.2Å; K744-M748 HydrophobicContact CG-CE 4Å; K744-M748 PolarHBondContact O-N 3.44Å
745	Q	80.5	Confident	87.9	Confident	123 Å²	123	84.1 Å²	84.1	58%	0.575	43%	0.429	S	S	*	.	H	α-helix	trans	-64.2	-29.3	176.4	-74.3	178.3	5.5	0	0	113.4	L741 A742	L741-Q745 WeakPolarHBondContact O-CG 3.46Å; L741-Q745 PolarHBondContact O-N 2.88Å; A742-Q745 PolarHBondContact O-N 3.25Å
746	Q	78.3	Confident	87.2	Confident	167 Å²	167	85.5 Å²	85.5	78%	0.78	44%	0.435	S	S	*	.	H	α-helix	trans	-79.3	-25.2	175.1	-71	175.6	12.3	0	0	113.1	A742 E743 K744	A742-Q746 WeakPolarHBondContact O-CG 3.49Å; A742-Q746 PolarHBondContact O-N 3.27Å; E743-Q746 PolarHBondContact O-N 3.26Å; K744-Q746 VanDerWaalsContact C-N 3.28Å; K744-Q746 PolarHBondContact O-N 3.36Å
747	S	70.7	Confident	86.2	Confident	97 Å²	97	89.1 Å²	89.1	68%	0.678	45%	0.452	S	S	*	.	H	α-helix	trans	-85.3	-19.1	179.5	70.6	0	0	0	0	114.5	E743 K744	E743-S747 PolarHBondContact O-N 2.82Å; E743-S747 PolarHBondContact O-OG 3.49Å; K744-S747 WeakPolarHBondContact CA-OG 3.44Å; K744-S747 PolarHBondContact O-N 3Å; K744-S747 PolarHBondContact O-OG 3.2Å
748	M	58.3	Low	85.2	Confident	182 Å²	182	96.8 Å²	96.8	90%	0.897	49%	0.492	S	S	*	.			trans	-91.1	0	173.2	-70.5	-172.9	-68.2	0	0	110.5	K744	K744-M748 HydrophobicContact CG-CE 4Å; K744-M748 PolarHBondContact O-N 3.44Å

Retrieved 748 of 748 residues in 245.1 ms (Link to these results)

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