A0A077Z1S1_TRITR Loading...

60 kDa SS A:Ro ribonucleoprotein

AlphaFold DB , UniProt , Accession A0A077Z1S1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 642 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	36	Very low	30.6	Very low	249 Å²	249	156.4 Å²	156.4	100%	1.227	89%	0.887	S	S	*	*				0	21.4	0	-69.5	-153.7	-73.2	0	0	112
2	A	25.7	Very low	30.4	Very low	88 Å²	88	158.6 Å²	158.6	73%	0.727	89%	0.893	S	S	*	*			trans	-74	148.6	150.3	0	0	0	0	0	108.3
3	D	34.7	Very low	30.2	Very low	162 Å²	162	154.7 Å²	154.7	87%	0.866	88%	0.883	S	S	*	*	S	Bend	trans	121.4	27.1	171.6	-61.3	-15.7	0	0	0	118
4	Q	32.4	Very low	30	Very low	201 Å²	201	154.9 Å²	154.9	94%	0.939	88%	0.88	S	S	*	*			trans	-148	29.7	176.7	-125.6	173.1	5.4	0	0	119
5	A	30.9	Very low	29.9	Very low	102 Å²	102	153.1 Å²	153.1	84%	0.843	88%	0.878	S	S	*	*			trans	-125.8	16.4	-179.5	0	0	0	0	0	115.9
6	N	32.5	Very low	30	Very low	177 Å²	177	150.9 Å²	150.9	95%	0.947	88%	0.875	S	S	*	*			trans	-102.3	43.8	-173.1	-124.5	25	0	0	0	114
7	A	29.7	Very low	30.1	Very low	96 Å²	96	153.8 Å²	153.8	79%	0.793	88%	0.879	S	S	*	*			trans	-147.5	17.7	-171	0	0	0	0	0	118.8
8	E	30.2	Very low	30.3	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	87%	0.874	S	S	*	*	S	Bend	trans	-117.5	22.9	179.5	-74	-172.6	165.7	0	0	115.2
9	A	28.2	Very low	30.4	Very low	100 Å²	100	149.9 Å²	149.9	83%	0.826	87%	0.872	S	S	*	*	S	Bend	trans	-109	10.6	-176.9	0	0	0	0	0	116.7
10	E	29.4	Very low	30.7	Very low	186 Å²	186	150.5 Å²	150.5	87%	0.869	87%	0.871	S	S	*	*			trans	-133.9	78.4	179.4	-75	-177.8	161	0	0	111.1
11	M	26.5	Very low	30.9	Very low	176 Å²	176	151.2 Å²	151.2	87%	0.867	87%	0.872	S	S	*	*			trans	-157.3	44.4	173.1	-97.1	-141.3	53.2	0	0	114.1
12	L	28.8	Very low	30.9	Very low	183 Å²	183	146.8 Å²	146.8	96%	0.958	85%	0.852	S	S	*	*	S	Bend	trans	-146.9	60.4	163.4	-80	176.2	0	0	0	110.6
13	S	27.1	Very low	31.2	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	86%	0.86	S	S	*	*			trans	-149.9	145.3	161.5	58.7	0	0	0	0	108.3
14	D	27.3	Very low	31.2	Very low	158 Å²	158	144 Å²	144	85%	0.845	85%	0.849	S	S	*	*			trans	78.3	90.9	-177.8	-68	-16.1	0	0	0	117.4
15	C	28.9	Very low	31.3	Very low	127 Å²	127	140.2 Å²	140.2	86%	0.858	85%	0.846	S	S	*	*			trans	-138.8	113.7	139.1	-87.4	0	0	0	0	110.3
16	S	32.1	Very low	31.2	Very low	118 Å²	118	139.8 Å²	139.8	83%	0.825	84%	0.842	S	S	*	*			trans	71.7	101.9	149.7	60.2	0	0	0	0	120.2
17	E	31	Very low	31.3	Very low	201 Å²	201	137.1 Å²	137.1	94%	0.939	83%	0.834	S	S	*	*			trans	-56.2	142.8	138.8	-65.4	176.3	152.4	0	0	110.9
18	G	34.7	Very low	31.6	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	84%	0.838	S	S	*	*			trans	-177.8	92.5	174.3	0	0	0	0	0	109.5
19	D	31.4	Very low	31.7	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	84%	0.835	S	S	*	*			trans	-52.1	135.8	170.6	-84.1	-39.7	0	0	0	111.4
20	D	36.8	Very low	31.7	Very low	160 Å²	160	137.5 Å²	137.5	86%	0.856	83%	0.826	S	S	*	*			trans	-161	118.4	139.4	-95.7	-29.6	0	0	0	110.8	I22	D20-I22 PolarHBondContact O-N 2.65Å
21	N	33.9	Very low	32	Very low	166 Å²	166	134.3 Å²	134.3	89%	0.888	82%	0.819	S	S	*	*			trans	-63.4	113.3	173.7	-82.3	-58	0	0	0	111.2
22	I	36.5	Very low	32.6	Very low	156 Å²	156	136.8 Å²	136.8	80%	0.8	82%	0.819	S	S	*	*			trans	-133.6	102.4	157	-59.7	-178.8	0	0	0	108.7	D20 G24	D20-I22 PolarHBondContact O-N 2.65Å; I22-G24 PolarHBondContact O-N 2.78Å; I22-G24 VanDerWaalsContact O-N 3.15Å
23	S	31.3	Very low	34.1	Very low	129 Å²	129	134.8 Å²	134.8	90%	0.902	81%	0.805	S	S	*	*			trans	-67.4	103.2	165	56.2	0	0	0	0	109.4
24	G	35.1	Very low	36.2	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	78%	0.775	S	S	*	*			trans	-146.1	125.4	171.1	0	0	0	0	0	108.7	I22 A26	I22-G24 PolarHBondContact O-N 2.78Å; I22-G24 VanDerWaalsContact O-N 3.15Å; G24-A26 PolarHBondContact O-N 3.42Å
25	S	34.4	Very low	38.3	Very low	123 Å²	123	125.6 Å²	125.6	86%	0.86	75%	0.75	S	S	*	*			trans	-43.5	120.1	179.6	49.6	0	0	0	0	112.8
26	A	29.3	Very low	40.7	Very low	93 Å²	93	119.6 Å²	119.6	77%	0.769	71%	0.709	S	S	*	*			trans	-60.6	130.2	173.8	0	0	0	0	0	110.4	G24	G24-A26 PolarHBondContact O-N 3.42Å
27	P	35.1	Very low	43	Very low	121 Å²	121	118.1 Å²	118.1	79%	0.786	69%	0.692	S	S	*	*			trans	-70.6	143.3	168.9	3	11.9	0	0	0	109.4	T29	P27-T29 PolarHBondContact O-N 2.76Å
28	N	34.8	Very low	45.6	Very low	162 Å²	162	114.8 Å²	114.8	87%	0.866	67%	0.674	S	S	*	*			trans	-31.8	118.6	174.9	-74.7	-28.5	0	0	0	113.2	C30	N28-C30 PolarHBondContact O-N 3.3Å
29	T	32.3	Very low	48.1	Very low	129 Å²	129	112 Å²	112	79%	0.791	64%	0.641	S	S	*	*			trans	-58.6	108.2	166.5	45.9	0	0	0	0	108.9	P27 V31	P27-T29 PolarHBondContact O-N 2.76Å; T29-V31 PolarHBondContact O-N 3.5Å; T29-V31 VanDerWaalsContact O-N 3.09Å
30	C	28.2	Very low	50.8	Low	95 Å²	95	105.2 Å²	105.2	64%	0.642	61%	0.605	S	S	*	*			trans	-67.7	103.6	166.9	-161	0	0	0	0	107	N28 W32	N28-C30 PolarHBondContact O-N 3.3Å; C30-W32 PolarHBondContact O-N 3.14Å; C30-W32 VanDerWaalsContact O-N 3.11Å
31	V	35.6	Very low	53.1	Low	120 Å²	120	99 Å²	99	73%	0.727	57%	0.573	S	S	*	*			trans	-71.9	100.8	172	-176.5	0	0	0	0	106.2	T29 E33	T29-V31 PolarHBondContact O-N 3.5Å; T29-V31 VanDerWaalsContact O-N 3.09Å; V31-E33 PolarHBondContact O-N 3.35Å
32	W	40.6	Very low	55.7	Low	228 Å²	228	98.8 Å²	98.8	86%	0.864	56%	0.564	S	S	*	*			trans	-70	99.6	169.7	-66.2	88.9	0	0	0	107.2	C30 D34	C30-W32 PolarHBondContact O-N 3.14Å; C30-W32 VanDerWaalsContact O-N 3.11Å; W32-D34 PolarHBondContact O-N 3.43Å
33	E	60.5	Low	58.1	Low	140 Å²	140	98.1 Å²	98.1	65%	0.654	56%	0.557	S	S	*	*			trans	-63.7	121.4	169.2	-77.7	-177.7	174.1	0	0	108.7	V31	V31-E33 PolarHBondContact O-N 3.35Å
34	D	69.3	Low	60.8	Low	23 Å²	23	92.5 Å²	92.5	12%	0.123	52%	0.517	C	S	.	.			trans	-57.3	120.8	175.4	-178.6	-23.4	0	0	0	109.5	W32 I36 L37 Y577	W32-D34 PolarHBondContact O-N 3.43Å; D34-I36 PolarHBondContact O-N 3.36Å; D34-I36 WeakPolarHBondContact OD1-CB 3.28Å; D34-I36 WeakPolarHBondContact OD1-CG1 3.44Å; D34-I36 PolarHBondContact OD1-N 3.04Å; D34-L37 HydrophobicContact CB-CD1 4.01Å; D34-L37 HydrophobicContact CB-CG 4.02Å; D34-L37 WeakPolarHBondContact O-CB 3.43Å; D34-L37 PolarHBondContact O-N 3.2Å; D34-Y577 VanDerWaalsContact OD2-CE1 3.24Å; D34-Y577 WeakPolarHBondContact OD2-CE1 3.24Å; D34-Y577 VanDerWaalsContact OD2-CZ 3.25Å; D34-Y577 PolarHBondContact OD2-OH 3.23Å
35	P	72.4	Confident	63	Low	50 Å²	50	95 Å²	95	33%	0.325	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-56.9	-26.1	-176.3	22.2	-32.8	0	0	0	113.2	L37 K38 N520	P35-L37 VanDerWaalsContact C-N 3.33Å; P35-L37 PolarHBondContact O-N 3Å; P35-K38 PolarHBondContact O-N 3.27Å; P35-N520 WeakPolarHBondContact CB-OD1 3.45Å; P35-N520 WeakPolarHBondContact CG-OD1 3.39Å
36	I	79.3	Confident	65	Low	1 Å²	1	97.5 Å²	97.5	1%	0.005	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-67.5	-32	179.1	-59.6	-177.3	0	0	0	111.9	D34 K38 L39 I40 M519 D549 L552 Y577	D34-I36 PolarHBondContact O-N 3.36Å; D34-I36 WeakPolarHBondContact OD1-CB 3.28Å; D34-I36 WeakPolarHBondContact OD1-CG1 3.44Å; D34-I36 PolarHBondContact OD1-N 3.04Å; I36-K38 PolarHBondContact O-N 3.12Å; I36-L39 WeakPolarHBondContact O-CA 3.48Å; I36-L39 WeakPolarHBondContact O-CB 3.49Å; I36-L39 PolarHBondContact O-N 3.16Å; I36-I40 HydrophobicContact CG2-CD1 3.99Å; I36-I40 HydrophobicContact CG2-CG1 4.36Å; I36-I40 PolarHBondContact O-N 3.35Å; I36-M519 HydrophobicContact CD1-CB 4.42Å; I36-M519 WeakPolarHBondContact CD1-O 3.19Å; I36-M519 WeakPolarHBondContact CG1-O 3.27Å; I36-D549 HydrophobicContact CD1-CB 4.25Å; I36-L552 HydrophobicContact CB-CD2 4.42Å; I36-L552 HydrophobicContact CD1-CD1 4.36Å; I36-L552 HydrophobicContact CD1-CD2 4.28Å; I36-L552 HydrophobicContact CG1-CD2 4.1Å; I36-L552 HydrophobicContact CG2-CD2 3.74Å; I36-Y577 HydrophobicContact CD1-CD1 3.53Å; I36-Y577 HydrophobicContact CD1-CE1 3.54Å
37	L	81.6	Confident	67.7	Low	87 Å²	87	95.7 Å²	95.7	46%	0.455	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-58.1	-28.4	-178.9	-67.3	173.9	0	0	0	112.1	D34 P35 L39 I40 F579	D34-L37 HydrophobicContact CB-CD1 4.01Å; D34-L37 HydrophobicContact CB-CG 4.02Å; D34-L37 WeakPolarHBondContact O-CB 3.43Å; D34-L37 PolarHBondContact O-N 3.2Å; P35-L37 VanDerWaalsContact C-N 3.33Å; P35-L37 PolarHBondContact O-N 3Å; L37-L39 PolarHBondContact O-N 3.11Å; L37-I40 HydrophobicContact CD2-CD1 4.24Å; L37-I40 PolarHBondContact O-N 3Å; L37-F579 HydrophobicContact CD2-CD2 4.09Å; L37-F579 HydrophobicContact CD2-CE2 3.78Å; L37-F579 HydrophobicContact CD2-CZ 4.1Å; L37-F579 HydrophobicContact CG-CE2 4.44Å
38	K	85.2	Confident	70.2	Confident	131 Å²	131	92.8 Å²	92.8	57%	0.57	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-68.6	-20.3	176.2	-63.6	176.1	-177.1	169.2	0	112.8	P35 I36 K559	P35-K38 PolarHBondContact O-N 3.27Å; I36-K38 PolarHBondContact O-N 3.12Å; K38-K559 WeakPolarHBondContact O-CD 3.38Å; K38-K559 VanDerWaalsContact O-CE 3.32Å; K38-K559 WeakPolarHBondContact O-CE 3.29Å; K38-K559 PolarHBondContact O-NZ 2.85Å
39	L	87	Confident	72.9	Confident	19 Å²	19	87.1 Å²	87.1	10%	0.099	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-93.5	-17.4	-179.1	-61.3	176.9	0	0	0	112.9	I36 L37 P41 I521 L552 L555 K559	I36-L39 WeakPolarHBondContact O-CA 3.48Å; I36-L39 WeakPolarHBondContact O-CB 3.49Å; I36-L39 PolarHBondContact O-N 3.16Å; L37-L39 PolarHBondContact O-N 3.11Å; L39-P41 WeakPolarHBondContact O-CD 3.17Å; L39-I521 HydrophobicContact CD1-CG2 3.38Å; L39-L552 HydrophobicContact CD1-CD2 3.79Å; L39-L555 HydrophobicContact CB-CB 4.49Å; L39-K559 HydrophobicContact CD2-CD 3.51Å
40	I	87.3	Confident	75.7	Confident	15 Å²	15	81 Å²	81	8%	0.077	40%	0.401	C	S	.	.	S	Bend	trans	-83.6	116.2	-178.9	-63	162.4	0	0	0	108.1	I36 L37 L44 E45 L555 F579 V580	I36-I40 HydrophobicContact CG2-CD1 3.99Å; I36-I40 HydrophobicContact CG2-CG1 4.36Å; I36-I40 PolarHBondContact O-N 3.35Å; L37-I40 HydrophobicContact CD2-CD1 4.24Å; L37-I40 PolarHBondContact O-N 3Å; I40-L44 HydrophobicContact CG2-CB 4.12Å; I40-E45 HydrophobicContact CG2-CG 4.26Å; I40-L555 HydrophobicContact CG1-CD1 4.29Å; I40-F579 HydrophobicContact CD1-CB 3.62Å; I40-F579 HydrophobicContact CD1-CD2 3.54Å; I40-F579 HydrophobicContact CD1-CG 3.89Å; I40-V580 HydrophobicContact CG1-CG2 4.37Å; I40-V580 HydrophobicContact CG2-CG2 4.24Å
41	P	86.2	Confident	78.7	Confident	29 Å²	29	80 Å²	80	19%	0.188	40%	0.395	C	S	.	.			trans	-73.7	153.1	176.1	34.3	-35.4	0	0	0	109.8	L39 E43 L44	L39-P41 WeakPolarHBondContact O-CD 3.17Å; P41-E43 WeakPolarHBondContact CB-OE2 3.25Å; P41-E43 PolarHBondContact O-N 3.01Å; P41-L44 HydrophobicContact CG-CB 4.4Å; P41-L44 HydrophobicContact CG-CD1 3.76Å; P41-L44 HydrophobicContact CG-CG 3.83Å; P41-L44 PolarHBondContact O-N 3.11Å
42	K	87	Confident	81.4	Confident	161 Å²	161	75.9 Å²	75.9	70%	0.7	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-54.5	-32.5	-172.3	-69.9	-171.3	175.2	-173	0	113.5	L44 E45	K42-L44 PolarHBondContact O-N 3.42Å; K42-E45 PolarHBondContact O-N 3.35Å
43	E	88.2	Confident	83.9	Confident	142 Å²	142	69.2 Å²	69.2	66%	0.664	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.8	-179.6	-54.4	76.6	-162.2	0	0	113	P41	P41-E43 WeakPolarHBondContact CB-OE2 3.25Å; P41-E43 PolarHBondContact O-N 3.01Å
44	L	88.1	Confident	85.5	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.063	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-106.6	-3.5	179.4	-50.4	-177.7	0	0	0	113.5	I40 P41 K42 H46 I47 L555 V580 V584 H588	I40-L44 HydrophobicContact CG2-CB 4.12Å; P41-L44 HydrophobicContact CG-CB 4.4Å; P41-L44 HydrophobicContact CG-CD1 3.76Å; P41-L44 HydrophobicContact CG-CG 3.83Å; P41-L44 PolarHBondContact O-N 3.11Å; K42-L44 PolarHBondContact O-N 3.42Å; L44-H46 PolarHBondContact O-N 3.42Å; L44-H46 VanDerWaalsContact O-N 3.12Å; L44-I47 HydrophobicContact CB-CD1 3.92Å; L44-I47 HydrophobicContact CB-CG1 4.43Å; L44-I47 HydrophobicContact CD2-CD1 3.26Å; L44-I47 HydrophobicContact CD2-CG1 4.47Å; L44-I47 HydrophobicContact CG-CD1 4.11Å; L44-I47 WeakPolarHBondContact O-CB 3.39Å; L44-I47 PolarHBondContact O-N 2.94Å; L44-I47 VanDerWaalsContact O-N 3.15Å; L44-L555 HydrophobicContact CD1-CD2 3.77Å; L44-V580 HydrophobicContact CB-CG2 3.94Å; L44-V580 HydrophobicContact CD1-CG1 4.09Å; L44-V580 HydrophobicContact CD1-CG2 4.2Å; L44-V584 HydrophobicContact CD2-CG1 4.5Å; L44-H588 HydrophobicContact CD1-CB 3.89Å; L44-H588 HydrophobicContact CD2-CB 4.17Å
45	E	80.2	Confident	86.7	Confident	113 Å²	113	65.2 Å²	65.2	53%	0.528	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.2	-177.3	-75.2	176.4	-170.2	0	0	113.8	I40 K42	I40-E45 HydrophobicContact CG2-CG 4.26Å; K42-E45 PolarHBondContact O-N 3.35Å
46	H	77.9	Confident	87.7	Confident	177 Å²	177	71.9 Å²	71.9	82%	0.819	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	11.6	-178.7	-57.9	-45.3	0	0	0	113.6	L44	L44-H46 PolarHBondContact O-N 3.42Å; L44-H46 VanDerWaalsContact O-N 3.12Å
47	I	85	Confident	88.5	Confident	54 Å²	54	75.4 Å²	75.4	28%	0.277	38%	0.38	S	S	.	.	S	Bend	trans	-76.5	153.1	178	-68.1	-173.8	0	0	0	110.3	L44 P49 V584	L44-I47 HydrophobicContact CB-CD1 3.92Å; L44-I47 HydrophobicContact CB-CG1 4.43Å; L44-I47 HydrophobicContact CD2-CD1 3.26Å; L44-I47 HydrophobicContact CD2-CG1 4.47Å; L44-I47 HydrophobicContact CG-CD1 4.11Å; L44-I47 WeakPolarHBondContact O-CB 3.39Å; L44-I47 PolarHBondContact O-N 2.94Å; L44-I47 VanDerWaalsContact O-N 3.15Å; I47-P49 WeakPolarHBondContact O-CD 3.37Å; I47-V584 HydrophobicContact CD1-CG1 3.64Å; I47-V584 HydrophobicContact CG2-CG1 4.23Å
48	V	88.5	Confident	89.2	Confident	61 Å²	61	71.6 Å²	71.6	37%	0.37	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-58	120.7	174.2	-177.3	0	0	0	0	109.1	A52 A54 H581	V48-A52 HydrophobicContact CG1-CB 3.49Å; V48-A52 VanDerWaalsContact CG1-CB 3.49Å; V48-A52 WeakPolarHBondContact CG1-O 3.32Å; V48-A54 HydrophobicContact CB-CB 4.08Å; V48-A54 HydrophobicContact CG1-CB 4.2Å; V48-H581 PolarHBondContact O-CD2 3.23Å; V48-H581 VanDerWaalsContact O-CD2 3.23Å
49	P	90.8	Very high	89.6	Confident	42 Å²	42	67.7 Å²	67.7	27%	0.273	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69.1	167.7	-179.2	30.2	-36.8	0	0	0	111.8	I47 S51 A52 F579 H581	I47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-S51 PolarHBondContact O-N 3.42Å; P49-A52 HydrophobicContact CG-CB 4.24Å; P49-A52 CarbonylContact O-C 3.55Å; P49-A52 PolarHBondContact O-N 2.59Å; P49-F579 WeakPolarHBondContact CA-O 3.22Å; P49-H581 PolarHBondContact O-NE2 2.99Å
50	Q	91.4	Very high	89.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.2	178.1	-69.1	176.2	25.3	0	0	112.8	A52 G65 Y66 D549 T575 G578 V580	Q50-A52 PolarHBondContact O-N 3.49Å; Q50-G65 CarbonylContact O-C 3.39Å; Q50-G65 WeakPolarHBondContact O-CA 3.35Å; Q50-Y66 PolarHBondContact O-N 3.13Å; Q50-D549 PolarHBondContact NE2-OD1 3.03Å; Q50-T575 PolarHBondContact OE1-OG1 3.01Å; Q50-G578 VanDerWaalsContact CB-O 3.24Å; Q50-G578 WeakPolarHBondContact CB-O 3.07Å; Q50-G578 VanDerWaalsContact CG-O 3.25Å; Q50-G578 WeakPolarHBondContact CG-O 3.48Å; Q50-G578 PolarHBondContact N-O 3.33Å; Q50-V580 PolarHBondContact NE2-O 3.48Å
51	S	90.9	Very high	90.2	Very high	74 Å²	74	70.9 Å²	70.9	52%	0.517	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.4	174	58.2	0	0	0	0	114.4	P49 Y66	P49-S51 PolarHBondContact O-N 3.42Å; S51-Y66 WeakPolarHBondContact O-CE2 3.34Å
52	A	92.8	Very high	90.2	Very high	34 Å²	34	73.7 Å²	73.7	28%	0.281	37%	0.371	S	S	.	.	S	Bend	trans	-131.5	150.3	176.1	0	0	0	0	0	111.7	V48 P49 Q50 A54 H581	V48-A52 HydrophobicContact CG1-CB 3.49Å; V48-A52 VanDerWaalsContact CG1-CB 3.49Å; V48-A52 WeakPolarHBondContact CG1-O 3.32Å; P49-A52 HydrophobicContact CG-CB 4.24Å; P49-A52 CarbonylContact O-C 3.55Å; P49-A52 PolarHBondContact O-N 2.59Å; Q50-A52 PolarHBondContact O-N 3.49Å; A52-A54 PolarHBondContact O-N 2.91Å; A52-H581 PolarHBondContact O-CE1 2.6Å; A52-H581 PolarHBondContact O-NE2 3.34Å
53	M	93.2	Very high	90.1	Very high	89 Å²	89	66.9 Å²	66.9	44%	0.438	35%	0.346	S	S	.	.			trans	-71.6	113.4	-177.8	-170.9	-176.4	-65.6	0	0	110.9	D55 Q58 Y66	M53-D55 WeakPolarHBondContact CG-O 3.43Å; M53-Q58 HydrophobicContact CG-CB 4.2Å; M53-Y66 HydrophobicContact CB-CD1 3.66Å; M53-Y66 HydrophobicContact CB-CD2 4.47Å; M53-Y66 HydrophobicContact CB-CE1 3.77Å; M53-Y66 HydrophobicContact CB-CG 4.03Å; M53-Y66 HydrophobicContact CE-CD1 3.86Å; M53-Y66 HydrophobicContact CE-CE1 3.43Å; M53-Y66 VanDerWaalsContact CE-CE1 3.43Å; M53-Y66 HydrophobicContact CG-CD1 4Å; M53-Y66 HydrophobicContact CG-CE1 4.29Å
54	A	93.5	Very high	90.1	Very high	42 Å²	42	61.7 Å²	61.7	35%	0.347	33%	0.331	S	S	.	.	S	Bend	trans	-89.6	-28.5	176	0	0	0	0	0	112.7	V48 A52 H581 F583	V48-A54 HydrophobicContact CB-CB 4.08Å; V48-A54 HydrophobicContact CG1-CB 4.2Å; A52-A54 PolarHBondContact O-N 2.91Å; A54-H581 VanDerWaalsContact CB-CD2 3.48Å; A54-H581 WeakPolarHBondContact CB-CD2 3.42Å; A54-F583 HydrophobicContact CB-CE1 4.21Å; A54-F583 HydrophobicContact CB-CZ 3.97Å
55	D	93.6	Very high	90.3	Very high	37 Å²	37	61.1 Å²	61.1	20%	0.198	33%	0.328	C	S	.	.	S	Bend	trans	-129.9	136.4	174.6	-174.8	-58.2	0	0	0	110.2	M53 R57 Q58 F68	M53-D55 WeakPolarHBondContact CG-O 3.43Å; D55-R57 PolarHBondContact O-N 2.95Å; D55-R57 VanDerWaalsContact OD1-CB 3.29Å; D55-R57 WeakPolarHBondContact OD1-CB 3.46Å; D55-R57 VanDerWaalsContact OD1-CG 3.32Å; D55-R57 WeakPolarHBondContact OD1-CG 3.47Å; D55-R57 IonicContact OD1-CZ 3.12Å; D55-R57 PolarHBondContact OD1-N 3.28Å; D55-R57 IonicContact OD1-NE 3.76Å; D55-R57 PolarHBondContact OD1-NE 2.84Å; D55-R57 IonicContact OD1-NH2 2.7Å; D55-R57 IonicContact OD2-CZ 2.79Å; D55-R57 IonicContact OD2-NE 3.78Å; D55-R57 PolarHBondContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 3.01Å; D55-R57 PolarHBondContact OD2-NH2 3.39Å; D55-Q58 HydrophobicContact CB-CG 4.2Å; D55-Q58 VanDerWaalsContact O-CB 3.31Å; D55-Q58 WeakPolarHBondContact O-CB 3.48Å; D55-Q58 WeakPolarHBondContact O-CG 3.3Å; D55-Q58 PolarHBondContact O-N 3.01Å; D55-F68 HydrophobicContact CB-CE1 4.28Å; D55-F68 HydrophobicContact CB-CZ 4.35Å
56	K	95	Very high	91	Very high	189 Å²	189	58.6 Å²	58.6	82%	0.822	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-17.4	-179.1	67.6	-180	-179.6	179.9	0	115.3	Q58	K56-Q58 VanDerWaalsContact C-N 3.35Å
57	R	95.1	Very high	91.8	Very high	76 Å²	76	50.3 Å²	50.3	29%	0.287	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-10	178.2	-60.7	170.7	-68.6	142.7	-0.4	112.4	D55 F68 D614 N616	D55-R57 PolarHBondContact O-N 2.95Å; D55-R57 VanDerWaalsContact OD1-CB 3.29Å; D55-R57 WeakPolarHBondContact OD1-CB 3.46Å; D55-R57 VanDerWaalsContact OD1-CG 3.32Å; D55-R57 WeakPolarHBondContact OD1-CG 3.47Å; D55-R57 IonicContact OD1-CZ 3.12Å; D55-R57 PolarHBondContact OD1-N 3.28Å; D55-R57 IonicContact OD1-NE 3.76Å; D55-R57 PolarHBondContact OD1-NE 2.84Å; D55-R57 IonicContact OD1-NH2 2.7Å; D55-R57 IonicContact OD2-CZ 2.79Å; D55-R57 IonicContact OD2-NE 3.78Å; D55-R57 PolarHBondContact OD2-NE 3.11Å; D55-R57 IonicContact OD2-NH2 3.01Å; D55-R57 PolarHBondContact OD2-NH2 3.39Å; R57-F68 HydrophobicContact CB-CD1 4.16Å; R57-F68 HydrophobicContact CB-CE1 4.08Å; R57-D614 IonicContact CZ-OD1 3.38Å; R57-D614 IonicContact CZ-OD2 3.42Å; R57-D614 IonicContact NH1-OD1 3.91Å; R57-D614 PolarHBondContact NH1-OD1 3.02Å; R57-D614 IonicContact NH1-OD2 3.5Å; R57-D614 IonicContact NH2-OD1 2.7Å; R57-D614 PolarHBondContact NH2-OD1 3.07Å; R57-D614 VanDerWaalsContact NH2-OD1 3.12Å; R57-D614 IonicContact NH2-OD2 2.76Å; R57-D614 PolarHBondContact NH2-OD2 3.04Å; R57-N616 VanDerWaalsContact NH1-CB 3.32Å; R57-N616 PolarHBondContact NH1-ND2 3.24Å; R57-N616 PolarHBondContact NH1-OD1 2.92Å
58	Q	95.8	Very high	92.4	Very high	7 Å²	7	48 Å²	48	3%	0.033	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	152	178.3	-65.7	-180	-59	0	0	111.4	M53 D55 K56 Y66 V67 F68 H581	M53-Q58 HydrophobicContact CG-CB 4.2Å; D55-Q58 HydrophobicContact CB-CG 4.2Å; D55-Q58 VanDerWaalsContact O-CB 3.31Å; D55-Q58 WeakPolarHBondContact O-CB 3.48Å; D55-Q58 WeakPolarHBondContact O-CG 3.3Å; D55-Q58 PolarHBondContact O-N 3.01Å; K56-Q58 VanDerWaalsContact C-N 3.35Å; Q58-Y66 HydrophobicContact CB-CD1 4.34Å; Q58-Y66 PolarHBondContact NE2-O 3.48Å; Q58-Y66 VanDerWaalsContact NE2-O 3.14Å; Q58-V67 CarbonylContact C-O 3.57Å; Q58-V67 WeakPolarHBondContact CA-O 3.42Å; Q58-V67 VanDerWaalsContact CB-O 3.23Å; Q58-V67 WeakPolarHBondContact CB-O 3.38Å; Q58-F68 HydrophobicContact CG-CD1 3.97Å; Q58-F68 HydrophobicContact CG-CE1 3.67Å; Q58-F68 HydrophobicContact CG-CE2 4.35Å; Q58-F68 HydrophobicContact CG-CG 4.44Å; Q58-F68 HydrophobicContact CG-CZ 3.89Å; Q58-H581 PolarHBondContact NE2-CE1 2.91Å; Q58-H581 VanDerWaalsContact NE2-CE1 3.28Å; Q58-H581 PolarHBondContact NE2-ND1 3.02Å
59	V	94.3	Very high	92.6	Very high	49 Å²	49	47.7 Å²	47.7	30%	0.297	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.3	173.4	-62.2	0	0	0	0	108.9	Y66 V67 T69 F610	V59-Y66 WeakPolarHBondContact O-CA 3.26Å; V59-V67 PolarHBondContact N-O 3.39Å; V59-V67 PolarHBondContact O-N 3.29Å; V59-V67 VanDerWaalsContact O-O 3.14Å; V59-T69 WeakPolarHBondContact CG1-OG1 3.27Å; V59-T69 WeakPolarHBondContact CG2-OG1 3.5Å; V59-F610 HydrophobicContact CG2-CD1 3.97Å; V59-F610 HydrophobicContact CG2-CE1 3.91Å
60	L	93.9	Very high	92.7	Very high	93 Å²	93	46 Å²	46	49%	0.487	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.3	174.1	-165.3	71.2	0	0	0	109.5	G64 Y66 F610	L60-G64 WeakPolarHBondContact CD1-O 3.43Å; L60-Y66 HydrophobicContact CB-CE1 4.48Å; L60-Y66 HydrophobicContact CD1-CD2 3.98Å; L60-Y66 HydrophobicContact CD1-CE1 4.38Å; L60-Y66 HydrophobicContact CD1-CE2 3.74Å; L60-Y66 HydrophobicContact CD1-CG 4.44Å; L60-F610 WeakPolarHBondContact O-CE1 3.22Å
61	N	92.3	Very high	92.8	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.037	27%	0.271	C	S	.	.			trans	-81.2	-179	171.1	70	13	0	0	0	112.1	G63 G64 G65 V67 N573 E574 T575 F610	N61-G63 VanDerWaalsContact C-N 3.33Å; N61-G63 WeakPolarHBondContact OD1-CA 3.33Å; N61-G63 PolarHBondContact OD1-N 2.93Å; N61-G63 VanDerWaalsContact OD1-N 3.12Å; N61-G64 PolarHBondContact O-N 3.06Å; N61-G64 PolarHBondContact OD1-N 3.41Å; N61-G65 VanDerWaalsContact CG-O 3.22Å; N61-G65 PolarHBondContact N-O 2.87Å; N61-G65 PolarHBondContact OD1-N 3.45Å; N61-G65 PolarHBondContact OD1-O 3.36Å; N61-G65 VanDerWaalsContact OD1-O 3.1Å; N61-V67 HydrophobicContact CB-CG2 3.75Å; N61-N573 PolarHBondContact ND2-O 3.27Å; N61-E574 WeakPolarHBondContact CB-OE2 3.48Å; N61-T575 PolarHBondContact ND2-N 2.96Å; N61-T575 PolarHBondContact ND2-O 3.26Å; N61-F610 HydrophobicContact CB-CB 4.47Å; N61-F610 HydrophobicContact CB-CD1 4.08Å; N61-F610 HydrophobicContact CB-CD2 3.64Å; N61-F610 HydrophobicContact CB-CE1 4.27Å; N61-F610 HydrophobicContact CB-CE2 3.81Å; N61-F610 HydrophobicContact CB-CG 3.79Å; N61-F610 HydrophobicContact CB-CZ 4.16Å
62	Y	87.4	Confident	92.9	Very high	89 Å²	89	48.2 Å²	48.2	35%	0.349	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-26.6	-179.9	-59.7	-55.4	0	0	0	112.5	G64 Y90 V91 E574 T608 F610	Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 3.06Å; Y62-Y90 VanDerWaalsContact CB-CB 3.42Å; Y62-V91 HydrophobicContact CD1-CG2 3.93Å; Y62-V91 HydrophobicContact CD2-CG2 3.28Å; Y62-V91 HydrophobicContact CE1-CG2 3.86Å; Y62-V91 HydrophobicContact CE2-CB 4.43Å; Y62-V91 HydrophobicContact CE2-CG2 3.24Å; Y62-V91 HydrophobicContact CG-CG2 3.68Å; Y62-E574 WeakPolarHBondContact CA-OE2 3.43Å; Y62-E574 VanDerWaalsContact CD2-OE1 3.27Å; Y62-E574 WeakPolarHBondContact CD2-OE1 3.46Å; Y62-E574 PolarHBondContact N-OE2 3.25Å; Y62-T608 HydrophobicContact CE2-CG2 4.4Å; Y62-F610 HydrophobicContact CD1-CE2 4.3Å; Y62-F610 HydrophobicContact CD2-CD2 4.24Å; Y62-F610 AromaticContact CD2-CE2 3.44Å; Y62-F610 HydrophobicContact CD2-CE2 3.44Å; Y62-F610 VanDerWaalsContact CD2-CE2 3.44Å; Y62-F610 HydrophobicContact CD2-CZ 4.37Å; Y62-F610 HydrophobicContact CE1-CE2 4.34Å; Y62-F610 HydrophobicContact CE1-CZ 4.4Å; Y62-F610 HydrophobicContact CE2-CD2 4.34Å; Y62-F610 AromaticContact CE2-CE2 3.46Å; Y62-F610 HydrophobicContact CE2-CE2 3.46Å; Y62-F610 VanDerWaalsContact CE2-CE2 3.46Å; Y62-F610 HydrophobicContact CE2-CZ 4.17Å; Y62-F610 AromaticContact CG-CE2 3.85Å; Y62-F610 HydrophobicContact CG-CE2 3.85Å; Y62-F610 AromaticContact CZ-CE2 3.94Å
63	G	84.4	Confident	92.9	Very high	18 Å²	18	49.1 Å²	49.1	19%	0.186	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11	172.1	0	0	0	0	0	115.4	N61 E574 W576	N61-G63 VanDerWaalsContact C-N 3.33Å; N61-G63 WeakPolarHBondContact OD1-CA 3.33Å; N61-G63 PolarHBondContact OD1-N 2.93Å; N61-G63 VanDerWaalsContact OD1-N 3.12Å; G63-E574 PolarHBondContact N-OE2 3.21Å; G63-W576 WeakPolarHBondContact O-CB 2.89Å
64	G	88.9	Confident	92.9	Very high	33 Å²	33	46.2 Å²	46.2	34%	0.34	25%	0.246	S	C	.	.	S	Bend	trans	89.8	10.9	-178.6	0	0	0	0	0	115.3	L60 N61 Y62	L60-G64 WeakPolarHBondContact CD1-O 3.43Å; N61-G64 PolarHBondContact O-N 3.06Å; N61-G64 PolarHBondContact OD1-N 3.41Å; Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 3.06Å
65	G	91.4	Very high	92.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.			trans	-95.2	154.4	170.4	0	0	0	0	0	113	Q50 N61 T575	Q50-G65 CarbonylContact O-C 3.39Å; Q50-G65 WeakPolarHBondContact O-CA 3.35Å; N61-G65 VanDerWaalsContact CG-O 3.22Å; N61-G65 PolarHBondContact N-O 2.87Å; N61-G65 PolarHBondContact OD1-N 3.45Å; N61-G65 PolarHBondContact OD1-O 3.36Å; N61-G65 VanDerWaalsContact OD1-O 3.1Å; G65-T575 WeakPolarHBondContact CA-O 3.48Å
66	Y	95.6	Very high	93	Very high	60 Å²	60	43.2 Å²	43.2	24%	0.235	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.5	175.5	-76.4	-91.4	0	0	0	110.8	Q50 S51 M53 Q58 V59 L60 H581	Q50-Y66 PolarHBondContact O-N 3.13Å; S51-Y66 WeakPolarHBondContact O-CE2 3.34Å; M53-Y66 HydrophobicContact CB-CD1 3.66Å; M53-Y66 HydrophobicContact CB-CD2 4.47Å; M53-Y66 HydrophobicContact CB-CE1 3.77Å; M53-Y66 HydrophobicContact CB-CG 4.03Å; M53-Y66 HydrophobicContact CE-CD1 3.86Å; M53-Y66 HydrophobicContact CE-CE1 3.43Å; M53-Y66 VanDerWaalsContact CE-CE1 3.43Å; M53-Y66 HydrophobicContact CG-CD1 4Å; M53-Y66 HydrophobicContact CG-CE1 4.29Å; Q58-Y66 HydrophobicContact CB-CD1 4.34Å; Q58-Y66 PolarHBondContact NE2-O 3.48Å; Q58-Y66 VanDerWaalsContact NE2-O 3.14Å; V59-Y66 WeakPolarHBondContact O-CA 3.26Å; L60-Y66 HydrophobicContact CB-CE1 4.48Å; L60-Y66 HydrophobicContact CD1-CD2 3.98Å; L60-Y66 HydrophobicContact CD1-CE1 4.38Å; L60-Y66 HydrophobicContact CD1-CE2 3.74Å; L60-Y66 HydrophobicContact CD1-CG 4.44Å; Y66-H581 PolarHBondContact O-CE1 3.05Å; Y66-H581 VanDerWaalsContact O-CE1 3.24Å; Y66-H581 PolarHBondContact O-ND1 3.26Å
67	V	94.9	Very high	93	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-179.3	-177.2	-60.8	0	0	0	0	109.6	Q58 V59 N61 T575 F610 I612	Q58-V67 CarbonylContact C-O 3.57Å; Q58-V67 WeakPolarHBondContact CA-O 3.42Å; Q58-V67 VanDerWaalsContact CB-O 3.23Å; Q58-V67 WeakPolarHBondContact CB-O 3.38Å; V59-V67 PolarHBondContact N-O 3.39Å; V59-V67 PolarHBondContact O-N 3.29Å; V59-V67 VanDerWaalsContact O-O 3.14Å; N61-V67 HydrophobicContact CB-CG2 3.75Å; V67-T575 HydrophobicContact CG1-CG2 3.81Å; V67-F610 HydrophobicContact CG2-CB 3.76Å; V67-F610 HydrophobicContact CG2-CD1 3.77Å; V67-F610 HydrophobicContact CG2-CG 3.95Å; V67-I612 HydrophobicContact CG1-CG2 4.28Å
68	F	95.7	Very high	92.9	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	158.7	175.8	-60.8	-81.1	0	0	0	111.9	D55 R57 Q58 F583 F610 T611 A613 D614 P615	D55-F68 HydrophobicContact CB-CE1 4.28Å; D55-F68 HydrophobicContact CB-CZ 4.35Å; R57-F68 HydrophobicContact CB-CD1 4.16Å; R57-F68 HydrophobicContact CB-CE1 4.08Å; Q58-F68 HydrophobicContact CG-CD1 3.97Å; Q58-F68 HydrophobicContact CG-CE1 3.67Å; Q58-F68 HydrophobicContact CG-CE2 4.35Å; Q58-F68 HydrophobicContact CG-CG 4.44Å; Q58-F68 HydrophobicContact CG-CZ 3.89Å; F68-F583 AromaticContact CE2-CD1 3.96Å; F68-F583 HydrophobicContact CE2-CD1 3.96Å; F68-F583 HydrophobicContact CE2-CE1 4.45Å; F68-F583 HydrophobicContact CE2-CG 4.4Å; F68-F583 HydrophobicContact CZ-CD1 4.29Å; F68-F583 HydrophobicContact CZ-CE1 4.4Å; F68-F610 WeakPolarHBondContact O-CA 3.44Å; F68-T611 HydrophobicContact CB-CG2 3.94Å; F68-T611 PolarHBondContact N-O 3.15Å; F68-T611 PolarHBondContact O-N 3.34Å; F68-A613 WeakPolarHBondContact CD2-O 3.44Å; F68-D614 HydrophobicContact CD2-CB 4.38Å; F68-D614 HydrophobicContact CE2-CB 3.75Å; F68-D614 HydrophobicContact CZ-CB 4Å; F68-P615 HydrophobicContact CB-CG 4.09Å; F68-P615 HydrophobicContact CD1-CG 4.5Å; F68-P615 HydrophobicContact CG-CG 4.35Å
69	T	93.8	Very high	92.8	Very high	56 Å²	56	33.1 Å²	33.1	34%	0.344	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.5	166.8	-51	0	0	0	0	109.3	V59 E609	V59-T69 WeakPolarHBondContact CG1-OG1 3.27Å; V59-T69 WeakPolarHBondContact CG2-OG1 3.5Å; T69-E609 WeakPolarHBondContact CA-O 3.24Å
70	I	93.1	Very high	92.8	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-69.5	153	176.1	-164.5	168.4	0	0	0	111.5	N74 R75 R78 E609 T611 D622	I70-N74 HydrophobicContact CD1-CB 3.47Å; I70-N74 VanDerWaalsContact CD1-CB 3.47Å; I70-N74 HydrophobicContact CG1-CB 3.65Å; I70-R75 HydrophobicContact CG2-CB 3.77Å; I70-R75 HydrophobicContact CG2-CG 4.43Å; I70-R78 VanDerWaalsContact CD1-NE 3.25Å; I70-E609 WeakPolarHBondContact CG2-O 3.47Å; I70-E609 PolarHBondContact N-O 2.85Å; I70-T611 HydrophobicContact CB-CG2 4.06Å; I70-T611 HydrophobicContact CG1-CG2 4.49Å; I70-D622 HydrophobicContact CD1-CB 3.81Å; I70-D622 HydrophobicContact CG1-CB 4.4Å
71	T	92.9	Very high	92.6	Very high	72 Å²	72	26.5 Å²	26.5	44%	0.442	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-59.6	149.4	176.8	67.4	0	0	0	0	112.9	L73 N74 R75	T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 3.41Å; T71-N74 PolarHBondContact O-N 3.3Å; T71-N74 WeakPolarHBondContact OG1-CB 3.29Å; T71-N74 PolarHBondContact OG1-N 3.27Å; T71-R75 PolarHBondContact O-N 3.5Å
72	D	93.6	Very high	92.4	Very high	50 Å²	50	26.6 Å²	26.6	27%	0.267	14%	0.143	S	C	.	.	H	α-helix	trans	-52.9	-43.1	-176.9	-74.7	5.3	0	0	0	112.3	L76 H103 M107 K110	D72-L76 PolarHBondContact O-N 3.46Å; D72-H103 WeakPolarHBondContact CA-NE2 3.39Å; D72-H103 PolarHBondContact O-NE2 3.03Å; D72-H103 IonicContact OD1-CE1 3.12Å; D72-H103 PolarHBondContact OD1-CE1 3.02Å; D72-H103 IonicContact OD1-NE2 3.94Å; D72-M107 HydrophobicContact CB-CE 3.95Å; D72-M107 HydrophobicContact CB-CG 4.09Å; D72-M107 HydrophobicContact CB-SD 4.01Å; D72-K110 IonicContact OD2-NZ 3.02Å; D72-K110 PolarHBondContact OD2-NZ 3.02Å; D72-K110 VanDerWaalsContact OD2-NZ 3.1Å
73	L	93.2	Very high	92.4	Very high	53 Å²	53	23 Å²	23	28%	0.277	13%	0.133	S	C	.	.	H	α-helix	trans	-67.4	-41.1	179.6	-176.7	60	0	0	0	112.7	T71 L76 R77 T115 E119	T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 3.41Å; L73-L76 WeakPolarHBondContact O-CB 3.36Å; L73-L76 PolarHBondContact O-N 3.24Å; L73-R77 WeakPolarHBondContact O-CG 3.17Å; L73-R77 PolarHBondContact O-N 3.04Å; L73-T115 HydrophobicContact CD1-CG2 4.3Å; L73-E119 HydrophobicContact CD1-CB 4.24Å; L73-E119 HydrophobicContact CD1-CG 3.87Å
74	N	92.1	Very high	92.5	Very high	28 Å²	28	22.5 Å²	22.5	15%	0.15	13%	0.127	C	C	.	.	H	α-helix	trans	-74.1	-33.4	179.3	-76.9	-14.9	0	0	0	111.8	I70 T71 L76 R77 R78	I70-N74 HydrophobicContact CD1-CB 3.47Å; I70-N74 VanDerWaalsContact CD1-CB 3.47Å; I70-N74 HydrophobicContact CG1-CB 3.65Å; T71-N74 PolarHBondContact O-N 3.3Å; T71-N74 WeakPolarHBondContact OG1-CB 3.29Å; T71-N74 PolarHBondContact OG1-N 3.27Å; N74-L76 VanDerWaalsContact C-N 3.34Å; N74-R77 PolarHBondContact O-N 3.41Å; N74-R77 PolarHBondContact OD1-NH1 3.33Å; N74-R78 WeakPolarHBondContact O-CG 3.15Å; N74-R78 PolarHBondContact O-N 3.42Å
75	R	94	Very high	92	Very high	14 Å²	14	24.3 Å²	24.3	5%	0.053	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-43.9	169	-171	168.6	173	171.5	17	111.4	I70 T71 R77 R78 F79 S99 H103 E609	I70-R75 HydrophobicContact CG2-CB 3.77Å; I70-R75 HydrophobicContact CG2-CG 4.43Å; T71-R75 PolarHBondContact O-N 3.5Å; R75-R77 VanDerWaalsContact C-N 3.33Å; R75-R77 PolarHBondContact O-N 3.13Å; R75-R78 PolarHBondContact O-N 2.98Å; R75-F79 PolarHBondContact O-N 2.87Å; R75-S99 PolarHBondContact NH2-OG 3.35Å; R75-H103 VanDerWaalsContact CD-CG 3.49Å; R75-H103 PolarHBondContact NH1-ND1 3.17Å; R75-E609 IonicContact CZ-OE1 3.92Å; R75-E609 IonicContact CZ-OE2 2.85Å; R75-E609 VanDerWaalsContact NH1-CD 3.34Å; R75-E609 IonicContact NH1-OE1 3.47Å; R75-E609 IonicContact NH1-OE2 3.66Å; R75-E609 PolarHBondContact NH1-OE2 2.99Å; R75-E609 VanDerWaalsContact NH2-CD 3.28Å; R75-E609 IonicContact NH2-OE1 2.7Å; R75-E609 PolarHBondContact NH2-OE1 2.76Å; R75-E609 IonicContact NH2-OE2 3.19Å; R75-E609 PolarHBondContact NH2-OE2 3.48Å
76	L	95.4	Very high	91.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-44.7	174.1	174.7	65.5	0	0	0	111.6	D72 L73 N74 F79 L80 V104 M107 V116 E119	D72-L76 PolarHBondContact O-N 3.46Å; L73-L76 WeakPolarHBondContact O-CB 3.36Å; L73-L76 PolarHBondContact O-N 3.24Å; N74-L76 VanDerWaalsContact C-N 3.34Å; L76-F79 PolarHBondContact O-N 3.4Å; L76-L80 HydrophobicContact CD1-CD1 3.8Å; L76-L80 HydrophobicContact CD1-CG 3.98Å; L76-L80 HydrophobicContact CD2-CD1 4.39Å; L76-L80 HydrophobicContact CG-CD1 3.77Å; L76-L80 HydrophobicContact CG-CG 4.33Å; L76-L80 WeakPolarHBondContact O-CB 3.3Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 2.93Å; L76-V104 HydrophobicContact CD1-CG2 3.99Å; L76-M107 HydrophobicContact CB-SD 4.26Å; L76-M107 HydrophobicContact CD2-CE 4.32Å; L76-V116 HydrophobicContact CD1-CG1 4.35Å; L76-V116 HydrophobicContact CD2-CB 4.32Å; L76-V116 HydrophobicContact CD2-CG1 4.38Å; L76-V116 HydrophobicContact CD2-CG2 4.26Å; L76-E119 HydrophobicContact CD2-CB 4.02Å; L76-E119 HydrophobicContact CD2-CG 4.18Å
77	R	95	Very high	90.2	Very high	49 Å²	49	23.8 Å²	23.8	19%	0.185	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-45.2	176.4	-72.2	170	172.4	156.7	3.5	112.2	L73 N74 R75 F79 L80 I81 E119 I123 V624	L73-R77 WeakPolarHBondContact O-CG 3.17Å; L73-R77 PolarHBondContact O-N 3.04Å; N74-R77 PolarHBondContact O-N 3.41Å; N74-R77 PolarHBondContact OD1-NH1 3.33Å; R75-R77 VanDerWaalsContact C-N 3.33Å; R75-R77 PolarHBondContact O-N 3.13Å; R77-F79 VanDerWaalsContact C-N 3.33Å; R77-F79 PolarHBondContact O-N 2.86Å; R77-L80 PolarHBondContact O-N 3.32Å; R77-I81 WeakPolarHBondContact O-CB 3.44Å; R77-I81 WeakPolarHBondContact O-CG1 3.31Å; R77-I81 PolarHBondContact O-N 2.91Å; R77-E119 HydrophobicContact CG-CG 4.28Å; R77-E119 IonicContact CZ-OE1 2.73Å; R77-E119 IonicContact CZ-OE2 3.36Å; R77-E119 IonicContact NE-OE1 3.41Å; R77-E119 PolarHBondContact NE-OE1 3.17Å; R77-E119 IonicContact NE-OE2 3.77Å; R77-E119 IonicContact NH2-OE1 2.93Å; R77-E119 PolarHBondContact NH2-OE1 3.32Å; R77-E119 IonicContact NH2-OE2 3.89Å; R77-E119 PolarHBondContact NH2-OE2 3.05Å; R77-E119 VanDerWaalsContact NH2-OE2 3.14Å; R77-I123 HydrophobicContact CG-CD1 4.13Å; R77-V624 HydrophobicContact CB-CG2 4Å
78	R	92.9	Very high	89.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.8	-48.2	174.7	-73.7	-177.6	-178.7	-172.2	-1.2	110.8	I70 N74 R75 I81 L82 N573 A604 A607 T608 F610 D622 V624	I70-R78 VanDerWaalsContact CD1-NE 3.25Å; N74-R78 WeakPolarHBondContact O-CG 3.15Å; N74-R78 PolarHBondContact O-N 3.42Å; R75-R78 PolarHBondContact O-N 2.98Å; R78-I81 PolarHBondContact O-N 3.34Å; R78-L82 WeakPolarHBondContact O-CB 3.44Å; R78-L82 PolarHBondContact O-N 3.12Å; R78-N573 PolarHBondContact NH1-ND2 2.83Å; R78-N573 PolarHBondContact NH2-ND2 3.1Å; R78-A604 HydrophobicContact CG-CB 4.46Å; R78-A607 HydrophobicContact CB-CB 4.4Å; R78-T608 PolarHBondContact NH1-O 2.93Å; R78-F610 PolarHBondContact NH1-O 3.11Å; R78-F610 PolarHBondContact NH2-O 3.06Å; R78-F610 VanDerWaalsContact NH2-O 3.15Å; R78-D622 IonicContact CZ-OD1 3.86Å; R78-D622 IonicContact NH2-OD1 3.59Å; R78-D622 PolarHBondContact NH2-OD1 3.08Å; R78-V624 HydrophobicContact CB-CG2 4.45Å; R78-V624 HydrophobicContact CG-CG1 4.26Å; R78-V624 HydrophobicContact CG-CG2 3.71Å
79	F	93.6	Very high	88.6	Confident	12 Å²	12	30 Å²	30	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-46.4	176.1	175.5	-117.6	0	0	0	112.9	R75 L76 R77 I81 G83 C84 N100 V104 P134 Y137	R75-F79 PolarHBondContact O-N 2.87Å; L76-F79 PolarHBondContact O-N 3.4Å; R77-F79 VanDerWaalsContact C-N 3.33Å; R77-F79 PolarHBondContact O-N 2.86Å; F79-I81 VanDerWaalsContact C-N 3.34Å; F79-I81 PolarHBondContact O-N 3.47Å; F79-G83 VanDerWaalsContact O-CA 3.26Å; F79-G83 WeakPolarHBondContact O-CA 3.39Å; F79-G83 PolarHBondContact O-N 3.33Å; F79-G83 VanDerWaalsContact O-N 3.1Å; F79-C84 VanDerWaalsContact CD2-SG 3.57Å; F79-N100 HydrophobicContact CB-CB 4.34Å; F79-N100 HydrophobicContact CD2-CB 3.56Å; F79-N100 HydrophobicContact CE2-CB 4Å; F79-N100 HydrophobicContact CG-CB 3.95Å; F79-V104 HydrophobicContact CD1-CG2 4.37Å; F79-P134 HydrophobicContact CD1-CB 4.21Å; F79-P134 HydrophobicContact CE1-CB 3.85Å; F79-P134 HydrophobicContact CE2-CB 4.32Å; F79-P134 HydrophobicContact CZ-CB 3.92Å; F79-P134 WeakPolarHBondContact O-CB 3.39Å; F79-Y137 HydrophobicContact CE1-CD1 4.17Å; F79-Y137 HydrophobicContact CZ-CD1 4.01Å
80	L	93.8	Very high	87.8	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-33.1	-177.1	-73.4	173.2	0	0	0	113.1	L76 R77 T120 I123 S129 P134 A135 C138	L76-L80 HydrophobicContact CD1-CD1 3.8Å; L76-L80 HydrophobicContact CD1-CG 3.98Å; L76-L80 HydrophobicContact CD2-CD1 4.39Å; L76-L80 HydrophobicContact CG-CD1 3.77Å; L76-L80 HydrophobicContact CG-CG 4.33Å; L76-L80 WeakPolarHBondContact O-CB 3.3Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 2.93Å; R77-L80 PolarHBondContact O-N 3.32Å; L80-T120 HydrophobicContact CD2-CG2 4.41Å; L80-I123 HydrophobicContact CB-CD1 3.86Å; L80-I123 HydrophobicContact CB-CG2 4.26Å; L80-I123 HydrophobicContact CD1-CD1 3.64Å; L80-I123 HydrophobicContact CG-CD1 4.42Å; L80-S129 WeakPolarHBondContact O-CB 3.39Å; L80-S129 PolarHBondContact O-OG 3.31Å; L80-P134 HydrophobicContact CD2-CB 4.15Å; L80-A135 HydrophobicContact CD2-CB 4.11Å; L80-C138 HydrophobicContact CD2-CB 4.49Å
81	I	90.9	Very high	87.2	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-96.8	-48.5	-173.3	-61.9	175.8	0	0	0	112.2	R77 R78 F79 I123 P130 V624 D627	R77-I81 WeakPolarHBondContact O-CB 3.44Å; R77-I81 WeakPolarHBondContact O-CG1 3.31Å; R77-I81 PolarHBondContact O-N 2.91Å; R78-I81 PolarHBondContact O-N 3.34Å; F79-I81 VanDerWaalsContact C-N 3.34Å; F79-I81 PolarHBondContact O-N 3.47Å; I81-I123 HydrophobicContact CD1-CD1 4.3Å; I81-I123 HydrophobicContact CG1-CD1 4.25Å; I81-I123 HydrophobicContact CG1-CG2 4.21Å; I81-P130 WeakPolarHBondContact O-CD 3.42Å; I81-V624 HydrophobicContact CB-CG1 4.01Å; I81-V624 HydrophobicContact CD1-CB 4.45Å; I81-V624 HydrophobicContact CD1-CG1 4.44Å; I81-V624 HydrophobicContact CG2-CG1 4.03Å; I81-D627 HydrophobicContact CD1-CB 3.75Å; I81-D627 WeakPolarHBondContact CD1-OD2 3.46Å; I81-D627 HydrophobicContact CG2-CB 4.29Å
82	L	88.1	Confident	86.8	Confident	8 Å²	8	33.7 Å²	33.7	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-86	-29.4	-177.5	-58.9	174.7	0	0	0	112.1	R78 M384 I487 S488 T606 A607 V624 G625	R78-L82 WeakPolarHBondContact O-CB 3.44Å; R78-L82 PolarHBondContact O-N 3.12Å; L82-M384 HydrophobicContact CD2-CE 4.4Å; L82-I487 HydrophobicContact CD2-CD1 4.46Å; L82-S488 PolarHBondContact O-OG 3.48Å; L82-T606 VanDerWaalsContact CD1-C 3.49Å; L82-T606 WeakPolarHBondContact CD1-O 3.33Å; L82-A607 HydrophobicContact CB-CB 4.4Å; L82-V624 HydrophobicContact CD1-CG1 3.77Å; L82-V624 HydrophobicContact CD2-CG1 4.14Å; L82-V624 HydrophobicContact CG-CG1 3.62Å; L82-G625 WeakPolarHBondContact CD2-O 3.29Å
83	G	88.2	Confident	86.4	Confident	14 Å²	14	34.9 Å²	34.9	14%	0.144	17%	0.173	C	C	.	.			trans	65.6	-165.7	-171.6	0	0	0	0	0	112.8	F79 A607	F79-G83 VanDerWaalsContact O-CA 3.26Å; F79-G83 WeakPolarHBondContact O-CA 3.39Å; F79-G83 PolarHBondContact O-N 3.33Å; F79-G83 VanDerWaalsContact O-N 3.1Å; G83-A607 WeakPolarHBondContact O-CB 3.43Å
84	C	85.2	Confident	86	Confident	8 Å²	8	39 Å²	39	5%	0.054	19%	0.189	C	C	.	.	S	Bend	trans	-122.7	1.6	-179.3	-55.8	0	0	0	0	113.5	F79 G86 G87 E93 L96 Q97	F79-C84 VanDerWaalsContact CD2-SG 3.57Å; C84-G86 PolarHBondContact O-N 2.92Å; C84-G87 PolarHBondContact O-N 2.94Å; C84-E93 WeakPolarHBondContact O-CG 3.4Å; C84-L96 HydrophobicContact CB-CB 4.23Å; C84-L96 HydrophobicContact CB-CD2 3.89Å; C84-L96 HydrophobicContact CB-CG 3.98Å; C84-Q97 HydrophobicContact CB-CB 4.48Å; C84-Q97 HydrophobicContact CB-CG 3.53Å
85	E	77.7	Confident	85.7	Confident	70 Å²	70	42.3 Å²	42.3	33%	0.327	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	130.2	-175.7	-170.2	175.3	154.2	0	0	110.8	G87 E93 K131 S488 G489	E85-G87 VanDerWaalsContact C-N 3.29Å; E85-E93 WeakPolarHBondContact CA-OE2 3.3Å; E85-K131 IonicContact OE1-NZ 3.69Å; E85-K131 PolarHBondContact OE1-NZ 2.97Å; E85-K131 IonicContact OE2-NZ 3.68Å; E85-K131 PolarHBondContact OE2-NZ 2.71Å; E85-S488 CarbonylContact O-C 3.49Å; E85-S488 WeakPolarHBondContact O-CA 3.29Å; E85-G489 PolarHBondContact O-N 2.99Å
86	G	72.7	Confident	85.3	Confident	37 Å²	37	41.8 Å²	41.8	38%	0.381	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-20.1	-171.5	0	0	0	0	0	114.4	C84 E93	C84-G86 PolarHBondContact O-N 2.92Å; G86-E93 PolarHBondContact N-OE2 2.87Å
87	G	77.1	Confident	84.9	Confident	13 Å²	13	45.7 Å²	45.7	13%	0.134	22%	0.22	C	C	.	.			trans	72.9	-154.6	-173.1	0	0	0	0	0	112.7	C84 E85 V91	C84-G87 PolarHBondContact O-N 2.94Å; E85-G87 VanDerWaalsContact C-N 3.29Å; G87-V91 CarbonylContact C-O 3.55Å; G87-V91 WeakPolarHBondContact CA-O 3.4Å
88	T	80.9	Confident	84.6	Confident	12 Å²	12	47.5 Å²	47.5	7%	0.074	23%	0.23	C	C	.	.			trans	-128.1	176.9	167.3	70.4	0	0	0	0	109	Y90 V91 L96 T606 T608	T88-Y90 PolarHBondContact O-N 3.18Å; T88-Y90 PolarHBondContact OG1-N 2.78Å; T88-V91 PolarHBondContact N-O 3.34Å; T88-V91 PolarHBondContact O-N 3.39Å; T88-V91 VanDerWaalsContact O-O 3.11Å; T88-V91 PolarHBondContact OG1-N 2.82Å; T88-V91 VanDerWaalsContact OG1-N 3.14Å; T88-L96 HydrophobicContact CG2-CD2 4.01Å; T88-T606 HydrophobicContact CG2-CG2 3.84Å; T88-T608 HydrophobicContact CG2-CG2 3.88Å
89	Y	76.5	Confident	84.5	Confident	126 Å²	126	48.6 Å²	48.6	49%	0.494	24%	0.238	S	C	.	.	S	Bend	trans	-58.3	-37.2	179.1	-177.4	-99.3	0	0	0	112.3	E485	Y89-E485 VanDerWaalsContact CA-CG 3.5Å; Y89-E485 HydrophobicContact CD2-CG 4.07Å; Y89-E485 HydrophobicContact CG-CG 4.4Å
90	Y	77.1	Confident	84.5	Confident	70 Å²	70	48 Å²	48	28%	0.275	24%	0.235	S	C	.	.	S	Bend	trans	-94.7	-20.8	-176.9	-55	-84.8	0	0	0	113.6	Y62 T88 S482 E574	Y62-Y90 VanDerWaalsContact CB-CB 3.42Å; T88-Y90 PolarHBondContact O-N 3.18Å; T88-Y90 PolarHBondContact OG1-N 2.78Å; Y90-S482 VanDerWaalsContact CE2-CB 3.47Å; Y90-E574 HydrophobicContact CD2-CB 4.01Å; Y90-E574 HydrophobicContact CD2-CG 3.58Å; Y90-E574 HydrophobicContact CE2-CB 3.33Å; Y90-E574 HydrophobicContact CE2-CG 3.45Å; Y90-E574 VanDerWaalsContact CE2-CG 3.45Å
91	V	80.7	Confident	84.4	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.03	24%	0.239	C	C	.	.	S	Bend	trans	-133.4	124.7	-171.2	-176.5	0	0	0	0	111.8	Y62 G87 T88 E95 L96	Y62-V91 HydrophobicContact CD1-CG2 3.93Å; Y62-V91 HydrophobicContact CD2-CG2 3.28Å; Y62-V91 HydrophobicContact CE1-CG2 3.86Å; Y62-V91 HydrophobicContact CE2-CB 4.43Å; Y62-V91 HydrophobicContact CE2-CG2 3.24Å; Y62-V91 HydrophobicContact CG-CG2 3.68Å; G87-V91 CarbonylContact C-O 3.55Å; G87-V91 WeakPolarHBondContact CA-O 3.4Å; T88-V91 PolarHBondContact N-O 3.34Å; T88-V91 PolarHBondContact O-N 3.39Å; T88-V91 VanDerWaalsContact O-O 3.11Å; T88-V91 PolarHBondContact OG1-N 2.82Å; T88-V91 VanDerWaalsContact OG1-N 3.14Å; V91-E95 HydrophobicContact CG1-CB 3.54Å; V91-L96 HydrophobicContact CG1-CB 4Å
92	K	84.4	Confident	84.5	Confident	134 Å²	134	55.2 Å²	55.2	58%	0.583	27%	0.268	S	S	*	.			trans	-63.3	150.3	177.2	-65.6	172.4	-175.8	162.1	0	111	K94 E95 L96	K92-K94 VanDerWaalsContact C-N 3.25Å; K92-K94 PolarHBondContact O-N 2.89Å; K92-K94 VanDerWaalsContact O-N 3.1Å; K92-E95 PolarHBondContact O-N 2.79Å; K92-L96 PolarHBondContact O-N 3.24Å
93	E	84.7	Confident	84.8	Confident	75 Å²	75	56 Å²	56	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-45.6	-47.2	178.8	169	170.1	158.4	0	0	113.4	C84 E85 G86 E95 L96 Q97	C84-E93 WeakPolarHBondContact O-CG 3.4Å; E85-E93 WeakPolarHBondContact CA-OE2 3.3Å; G86-E93 PolarHBondContact N-OE2 2.87Å; E93-E95 PolarHBondContact O-N 3.4Å; E93-L96 PolarHBondContact O-N 2.79Å; E93-Q97 HydrophobicContact CG-CG 4.38Å; E93-Q97 VanDerWaalsContact CG-NE2 3.29Å; E93-Q97 WeakPolarHBondContact O-CB 3.36Å; E93-Q97 VanDerWaalsContact O-CG 3.22Å; E93-Q97 WeakPolarHBondContact O-CG 3.37Å; E93-Q97 PolarHBondContact O-N 2.98Å; E93-Q97 PolarHBondContact OE1-NE2 3.28Å
94	K	85.1	Confident	85.1	Confident	141 Å²	141	55.3 Å²	55.3	61%	0.613	27%	0.265	S	S	*	.	H	α-helix	trans	-63.2	-42.9	-178.2	-174.3	-175.4	173.6	-162.6	0	112.3	K92 Q97 E98	K92-K94 VanDerWaalsContact C-N 3.25Å; K92-K94 PolarHBondContact O-N 2.89Å; K92-K94 VanDerWaalsContact O-N 3.1Å; K94-Q97 WeakPolarHBondContact O-CB 3.44Å; K94-Q97 PolarHBondContact O-N 3.4Å; K94-E98 WeakPolarHBondContact CE-OE1 3.46Å; K94-E98 IonicContact NZ-OE1 2.68Å; K94-E98 WeakPolarHBondContact O-CG 3.42Å; K94-E98 PolarHBondContact O-N 3.36Å
95	E	85.1	Confident	85.5	Confident	97 Å²	97	56.3 Å²	56.3	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-68.2	-39.9	179.4	-71.3	164.9	-151.2	0	0	110.9	V91 K92 E93 Q97 E98 S99	V91-E95 HydrophobicContact CG1-CB 3.54Å; K92-E95 PolarHBondContact O-N 2.79Å; E93-E95 PolarHBondContact O-N 3.4Å; E95-Q97 PolarHBondContact O-N 3Å; E95-E98 PolarHBondContact O-N 3.47Å; E95-S99 WeakPolarHBondContact O-CB 3.48Å; E95-S99 PolarHBondContact O-N 3.47Å
96	L	86.6	Confident	86.3	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-39	175.6	-171.3	64.5	0	0	0	112	C84 T88 V91 K92 E93 N100	C84-L96 HydrophobicContact CB-CB 4.23Å; C84-L96 HydrophobicContact CB-CD2 3.89Å; C84-L96 HydrophobicContact CB-CG 3.98Å; T88-L96 HydrophobicContact CG2-CD2 4.01Å; V91-L96 HydrophobicContact CG1-CB 4Å; K92-L96 PolarHBondContact O-N 3.24Å; E93-L96 PolarHBondContact O-N 2.79Å; L96-N100 WeakPolarHBondContact O-CB 3.38Å; L96-N100 PolarHBondContact O-N 3.43Å; L96-N100 PolarHBondContact O-ND2 3.16Å
97	Q	87.4	Confident	87.3	Confident	83 Å²	83	52.3 Å²	52.3	39%	0.388	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-46.7	172	-75	171.9	1.9	0	0	111.3	C84 E93 K94 E95 A101	C84-Q97 HydrophobicContact CB-CB 4.48Å; C84-Q97 HydrophobicContact CB-CG 3.53Å; E93-Q97 HydrophobicContact CG-CG 4.38Å; E93-Q97 VanDerWaalsContact CG-NE2 3.29Å; E93-Q97 WeakPolarHBondContact O-CB 3.36Å; E93-Q97 VanDerWaalsContact O-CG 3.22Å; E93-Q97 WeakPolarHBondContact O-CG 3.37Å; E93-Q97 PolarHBondContact O-N 2.98Å; E93-Q97 PolarHBondContact OE1-NE2 3.28Å; K94-Q97 WeakPolarHBondContact O-CB 3.44Å; K94-Q97 PolarHBondContact O-N 3.4Å; E95-Q97 PolarHBondContact O-N 3Å; Q97-A101 WeakPolarHBondContact O-CB 3.43Å; Q97-A101 PolarHBondContact O-N 3.36Å
98	E	88.5	Confident	88.1	Confident	86 Å²	86	51.8 Å²	51.8	40%	0.402	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-42.8	178.3	-75.8	179.5	-167.1	0	0	112	K94 E95 A101 K102	K94-E98 WeakPolarHBondContact CE-OE1 3.46Å; K94-E98 IonicContact NZ-OE1 2.68Å; K94-E98 WeakPolarHBondContact O-CG 3.42Å; K94-E98 PolarHBondContact O-N 3.36Å; E95-E98 PolarHBondContact O-N 3.47Å; E98-A101 PolarHBondContact O-N 2.73Å; E98-K102 WeakPolarHBondContact O-CB 3.47Å; E98-K102 VanDerWaalsContact O-CG 3.29Å; E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 2.98Å
99	S	91.4	Very high	88.6	Confident	23 Å²	23	55.4 Å²	55.4	16%	0.161	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-51.7	176.8	176.3	0	0	0	0	111.5	R75 E95 A101 K102 H103	R75-S99 PolarHBondContact NH2-OG 3.35Å; E95-S99 WeakPolarHBondContact O-CB 3.48Å; E95-S99 PolarHBondContact O-N 3.47Å; S99-A101 PolarHBondContact O-N 2.95Å; S99-K102 PolarHBondContact O-N 3.03Å; S99-H103 PolarHBondContact O-N 3.42Å
100	N	92.6	Very high	89.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-36.1	177.2	-79.6	-72.4	0	0	0	112.5	F79 L96 H103 V104 A607	F79-N100 HydrophobicContact CB-CB 4.34Å; F79-N100 HydrophobicContact CD2-CB 3.56Å; F79-N100 HydrophobicContact CE2-CB 4Å; F79-N100 HydrophobicContact CG-CB 3.95Å; L96-N100 WeakPolarHBondContact O-CB 3.38Å; L96-N100 PolarHBondContact O-N 3.43Å; L96-N100 PolarHBondContact O-ND2 3.16Å; N100-H103 WeakPolarHBondContact O-CB 3.21Å; N100-H103 PolarHBondContact O-N 3.29Å; N100-V104 WeakPolarHBondContact O-CG2 3.36Å; N100-V104 PolarHBondContact O-N 3.44Å; N100-A607 PolarHBondContact ND2-O 3.26Å; N100-A607 VanDerWaalsContact ND2-O 3.08Å
101	A	91.6	Very high	89.9	Confident	11 Å²	11	54.6 Å²	54.6	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-46.6	174.1	0	0	0	0	0	112.2	Q97 E98 S99 H103 V104 I105 Y137	Q97-A101 WeakPolarHBondContact O-CB 3.43Å; Q97-A101 PolarHBondContact O-N 3.36Å; E98-A101 PolarHBondContact O-N 2.73Å; S99-A101 PolarHBondContact O-N 2.95Å; A101-H103 VanDerWaalsContact C-N 3.29Å; A101-H103 PolarHBondContact O-N 3.42Å; A101-V104 PolarHBondContact O-N 3.36Å; A101-I105 WeakPolarHBondContact O-CB 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.3Å; A101-I105 WeakPolarHBondContact O-CG1 3.35Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-Y137 HydrophobicContact CB-CE1 3.82Å; A101-Y137 VanDerWaalsContact CB-OH 3.25Å; A101-Y137 WeakPolarHBondContact CB-OH 3.16Å
102	K	92.8	Very high	90.5	Very high	142 Å²	142	57.4 Å²	57.4	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-60.3	-40.6	175.6	-74.7	171.8	-176.3	172	0	111.3	E98 S99 I105 G106	E98-K102 WeakPolarHBondContact O-CB 3.47Å; E98-K102 VanDerWaalsContact O-CG 3.29Å; E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 2.98Å; S99-K102 PolarHBondContact O-N 3.03Å; K102-I105 WeakPolarHBondContact O-CB 3.34Å; K102-I105 PolarHBondContact O-N 3.4Å; K102-G106 PolarHBondContact O-N 3.04Å
103	H	94.4	Very high	90.9	Very high	24 Å²	24	51.1 Å²	51.1	11%	0.111	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-50.7	176.8	-175.6	75.3	0	0	0	112.4	D72 R75 S99 N100 A101 I105 G106 M107	D72-H103 WeakPolarHBondContact CA-NE2 3.39Å; D72-H103 PolarHBondContact O-NE2 3.03Å; D72-H103 IonicContact OD1-CE1 3.12Å; D72-H103 PolarHBondContact OD1-CE1 3.02Å; D72-H103 IonicContact OD1-NE2 3.94Å; R75-H103 VanDerWaalsContact CD-CG 3.49Å; R75-H103 PolarHBondContact NH1-ND1 3.17Å; S99-H103 PolarHBondContact O-N 3.42Å; N100-H103 WeakPolarHBondContact O-CB 3.21Å; N100-H103 PolarHBondContact O-N 3.29Å; A101-H103 VanDerWaalsContact C-N 3.29Å; A101-H103 PolarHBondContact O-N 3.42Å; H103-I105 VanDerWaalsContact C-N 3.29Å; H103-I105 PolarHBondContact O-N 2.79Å; H103-G106 PolarHBondContact O-N 3.49Å; H103-G106 VanDerWaalsContact O-N 3.13Å; H103-M107 WeakPolarHBondContact O-CG 3.25Å; H103-M107 PolarHBondContact O-N 2.89Å
104	V	94.9	Very high	91.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-39.5	178.2	177.1	0	0	0	0	111.3	L76 F79 N100 A101 M107 I108 V116 L141	L76-V104 HydrophobicContact CD1-CG2 3.99Å; F79-V104 HydrophobicContact CD1-CG2 4.37Å; N100-V104 WeakPolarHBondContact O-CG2 3.36Å; N100-V104 PolarHBondContact O-N 3.44Å; A101-V104 PolarHBondContact O-N 3.36Å; V104-M107 PolarHBondContact O-N 3.03Å; V104-I108 HydrophobicContact CG1-CD1 4.2Å; V104-I108 WeakPolarHBondContact O-CG1 3.1Å; V104-I108 PolarHBondContact O-N 2.84Å; V104-V116 HydrophobicContact CG1-CG1 3.79Å; V104-L141 HydrophobicContact CB-CD1 4Å; V104-L141 HydrophobicContact CG1-CD1 3.61Å
105	I	93.5	Very high	92	Very high	29 Å²	29	46.8 Å²	46.8	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-48.9	172.8	-78.3	167.7	0	0	0	110.9	A101 K102 H103 M107 I108 E109 L141 Y145	A101-I105 WeakPolarHBondContact O-CB 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.3Å; A101-I105 WeakPolarHBondContact O-CG1 3.35Å; A101-I105 PolarHBondContact O-N 2.89Å; K102-I105 WeakPolarHBondContact O-CB 3.34Å; K102-I105 PolarHBondContact O-N 3.4Å; H103-I105 VanDerWaalsContact C-N 3.29Å; H103-I105 PolarHBondContact O-N 2.79Å; I105-M107 VanDerWaalsContact C-N 3.33Å; I105-M107 PolarHBondContact O-N 3.35Å; I105-I108 WeakPolarHBondContact O-CB 3.38Å; I105-I108 PolarHBondContact O-N 3.18Å; I105-E109 HydrophobicContact CG2-CG 4.37Å; I105-E109 VanDerWaalsContact CG2-OE1 3.26Å; I105-E109 WeakPolarHBondContact CG2-OE1 3.32Å; I105-E109 WeakPolarHBondContact O-CG 3.22Å; I105-E109 PolarHBondContact O-N 3.3Å; I105-L141 HydrophobicContact CD1-CD2 4.2Å; I105-L141 HydrophobicContact CG1-CD1 4.24Å; I105-L141 HydrophobicContact CG1-CD2 3.98Å; I105-Y145 HydrophobicContact CB-CE1 4.16Å; I105-Y145 HydrophobicContact CD1-CD2 4.12Å; I105-Y145 HydrophobicContact CD1-CE2 3.83Å; I105-Y145 HydrophobicContact CG1-CD1 4.04Å; I105-Y145 HydrophobicContact CG1-CD2 4.24Å; I105-Y145 HydrophobicContact CG1-CE1 3.96Å; I105-Y145 HydrophobicContact CG1-CE2 4.13Å; I105-Y145 HydrophobicContact CG1-CG 4.2Å; I105-Y145 HydrophobicContact CG2-CD1 4.29Å; I105-Y145 HydrophobicContact CG2-CE1 3.42Å; I105-Y145 VanDerWaalsContact CG2-CE1 3.42Å; I105-Y145 HydrophobicContact CG2-CE2 4.28Å; I105-Y145 VanDerWaalsContact CG2-OH 3.25Å; I105-Y145 WeakPolarHBondContact CG2-OH 3.36Å
106	G	93.8	Very high	92.6	Very high	19 Å²	19	42.2 Å²	42.2	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-38.9	178.1	0	0	0	0	0	112.9	K102 H103 E109 K110	K102-G106 PolarHBondContact O-N 3.04Å; H103-G106 PolarHBondContact O-N 3.49Å; H103-G106 VanDerWaalsContact O-N 3.13Å; G106-E109 PolarHBondContact O-N 2.78Å; G106-K110 VanDerWaalsContact O-CG 3.25Å; G106-K110 WeakPolarHBondContact O-CG 3.33Å; G106-K110 PolarHBondContact O-N 2.76Å
107	M	94.8	Very high	93.1	Very high	4 Å²	4	42 Å²	42	2%	0.02	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-45.4	172	-67.9	180	71.8	0	0	111.4	D72 L76 H103 V104 I105 E109 K110 D112 V116	D72-M107 HydrophobicContact CB-CE 3.95Å; D72-M107 HydrophobicContact CB-CG 4.09Å; D72-M107 HydrophobicContact CB-SD 4.01Å; L76-M107 HydrophobicContact CB-SD 4.26Å; L76-M107 HydrophobicContact CD2-CE 4.32Å; H103-M107 WeakPolarHBondContact O-CG 3.25Å; H103-M107 PolarHBondContact O-N 2.89Å; V104-M107 PolarHBondContact O-N 3.03Å; I105-M107 VanDerWaalsContact C-N 3.33Å; I105-M107 PolarHBondContact O-N 3.35Å; M107-E109 PolarHBondContact O-N 3.37Å; M107-K110 PolarHBondContact O-N 3.12Å; M107-D112 HydrophobicContact CB-CB 4.35Å; M107-D112 WeakPolarHBondContact O-CA 3.45Å; M107-D112 WeakPolarHBondContact O-CB 3.41Å; M107-D112 PolarHBondContact O-N 3.44Å; M107-V116 HydrophobicContact CB-CG2 3.8Å; M107-V116 HydrophobicContact CE-CG2 3.77Å; M107-V116 HydrophobicContact SD-CG2 4.01Å
108	I	93.3	Very high	93.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.219	C	C	.	.	I	π-helix	trans	-61	-46.5	177.7	-67.4	164.9	0	0	0	110.3	V104 I105 K110 G111 V116 L141 A146 L150 L158	V104-I108 HydrophobicContact CG1-CD1 4.2Å; V104-I108 WeakPolarHBondContact O-CG1 3.1Å; V104-I108 PolarHBondContact O-N 2.84Å; I105-I108 WeakPolarHBondContact O-CB 3.38Å; I105-I108 PolarHBondContact O-N 3.18Å; I108-K110 VanDerWaalsContact C-N 3.3Å; I108-K110 PolarHBondContact O-N 3.1Å; I108-G111 PolarHBondContact O-N 2.94Å; I108-V116 HydrophobicContact CG1-CG2 4.47Å; I108-L141 HydrophobicContact CD1-CB 3.85Å; I108-A146 HydrophobicContact CG2-CB 3.96Å; I108-L150 HydrophobicContact CG2-CD1 3.92Å; I108-L150 HydrophobicContact CG2-CG 4.37Å; I108-L150 WeakPolarHBondContact O-CD2 3.22Å; I108-L158 HydrophobicContact CG2-CD2 4.18Å
109	E	90.9	Very high	94.1	Very high	89 Å²	89	38.6 Å²	38.6	42%	0.416	21%	0.206	S	C	.	.	I	π-helix	trans	-64.8	-30.2	-178.3	-71.6	170.6	177.2	0	0	113.4	I105 G106 M107 G111 Y145 E149	I105-E109 HydrophobicContact CG2-CG 4.37Å; I105-E109 VanDerWaalsContact CG2-OE1 3.26Å; I105-E109 WeakPolarHBondContact CG2-OE1 3.32Å; I105-E109 WeakPolarHBondContact O-CG 3.22Å; I105-E109 PolarHBondContact O-N 3.3Å; G106-E109 PolarHBondContact O-N 2.78Å; M107-E109 PolarHBondContact O-N 3.37Å; E109-G111 PolarHBondContact O-N 2.86Å; E109-Y145 HydrophobicContact CG-CE1 4.25Å; E109-Y145 WeakPolarHBondContact OE1-CE1 3.48Å; E109-Y145 PolarHBondContact OE1-OH 3.03Å; E109-E149 HydrophobicContact CG-CB 4.21Å
110	K	90.8	Very high	94.4	Very high	142 Å²	142	37.5 Å²	37.5	62%	0.617	20%	0.198	S	C	*	.	I	π-helix	trans	-74.4	-6.9	172.7	-68.5	171.7	-166.8	175.3	0	114	D72 G106 M107 I108	D72-K110 IonicContact OD2-NZ 3.02Å; D72-K110 PolarHBondContact OD2-NZ 3.02Å; D72-K110 VanDerWaalsContact OD2-NZ 3.1Å; G106-K110 VanDerWaalsContact O-CG 3.25Å; G106-K110 WeakPolarHBondContact O-CG 3.33Å; G106-K110 PolarHBondContact O-N 2.76Å; M107-K110 PolarHBondContact O-N 3.12Å; I108-K110 VanDerWaalsContact C-N 3.3Å; I108-K110 PolarHBondContact O-N 3.1Å
111	G	90.1	Very high	94.6	Very high	36 Å²	36	38 Å²	38	37%	0.371	20%	0.2	S	C	.	.	I	π-helix	trans	99.2	-0.7	-176.8	0	0	0	0	0	114.8	I108 E109 G113	I108-G111 PolarHBondContact O-N 2.94Å; E109-G111 PolarHBondContact O-N 2.86Å; G111-G113 PolarHBondContact O-N 3.46Å
112	D	93.1	Very high	94.8	Very high	65 Å²	65	42 Å²	42	35%	0.348	22%	0.217	S	C	.	.	I	π-helix	trans	-84.7	14.2	-178.5	-67.7	-46.7	0	0	0	113.7	M107 M114 T115 V116	M107-D112 HydrophobicContact CB-CB 4.35Å; M107-D112 WeakPolarHBondContact O-CA 3.45Å; M107-D112 WeakPolarHBondContact O-CB 3.41Å; M107-D112 PolarHBondContact O-N 3.44Å; D112-M114 PolarHBondContact O-N 2.62Å; D112-T115 WeakPolarHBondContact O-CA 3.3Å; D112-T115 VanDerWaalsContact O-CB 3.27Å; D112-T115 WeakPolarHBondContact O-CB 3.21Å; D112-T115 PolarHBondContact O-N 3.04Å; D112-V116 PolarHBondContact O-N 3.18Å
113	G	94.6	Very high	94.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-31.6	-177	0	0	0	0	0	114	G111 V116 L117 L158	G111-G113 PolarHBondContact O-N 3.46Å; G113-V116 PolarHBondContact O-N 3.39Å; G113-L117 WeakPolarHBondContact O-CB 3.42Å; G113-L117 PolarHBondContact O-N 3.33Å; G113-L158 VanDerWaalsContact C-CD1 3.45Å; G113-L158 VanDerWaalsContact O-CD1 3.29Å; G113-L158 WeakPolarHBondContact O-CD1 3.39Å
114	M	95.8	Very high	94.8	Very high	63 Å²	63	34.1 Å²	34.1	31%	0.31	18%	0.183	S	C	.	.	H	α-helix	trans	-69.3	-36.3	172.9	-78.6	-59.5	-67.3	0	0	112.4	D112 L117 N118 L158 K161	D112-M114 PolarHBondContact O-N 2.62Å; M114-L117 PolarHBondContact O-N 3.46Å; M114-L117 HydrophobicContact SD-CD2 4.41Å; M114-N118 WeakPolarHBondContact O-CB 3.48Å; M114-N118 VanDerWaalsContact O-CG 3.25Å; M114-N118 PolarHBondContact O-N 3.42Å; M114-N118 PolarHBondContact O-ND2 2.93Å; M114-L158 HydrophobicContact CG-CD1 4.34Å; M114-L158 HydrophobicContact SD-CD1 3.85Å; M114-K161 HydrophobicContact CE-CB 4.36Å; M114-K161 HydrophobicContact CE-CG 3.97Å; M114-K161 HydrophobicContact SD-CB 4.15Å; M114-K161 HydrophobicContact SD-CG 4.2Å
115	T	96.7	Very high	94.7	Very high	63 Å²	63	36.7 Å²	36.7	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-48.5	172.8	-55.8	0	0	0	0	110.2	L73 D112 L117 N118 E119	L73-T115 HydrophobicContact CD1-CG2 4.3Å; D112-T115 WeakPolarHBondContact O-CA 3.3Å; D112-T115 VanDerWaalsContact O-CB 3.27Å; D112-T115 WeakPolarHBondContact O-CB 3.21Å; D112-T115 PolarHBondContact O-N 3.04Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.4Å; T115-N118 PolarHBondContact O-N 2.79Å; T115-E119 WeakPolarHBondContact O-CB 3.34Å; T115-E119 PolarHBondContact O-N 3.09Å
116	V	97.3	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.7	-48.8	175	173.7	0	0	0	0	110.9	L76 V104 M107 I108 D112 G113 T120 C138	L76-V116 HydrophobicContact CD1-CG1 4.35Å; L76-V116 HydrophobicContact CD2-CB 4.32Å; L76-V116 HydrophobicContact CD2-CG1 4.38Å; L76-V116 HydrophobicContact CD2-CG2 4.26Å; V104-V116 HydrophobicContact CG1-CG1 3.79Å; M107-V116 HydrophobicContact CB-CG2 3.8Å; M107-V116 HydrophobicContact CE-CG2 3.77Å; M107-V116 HydrophobicContact SD-CG2 4.01Å; I108-V116 HydrophobicContact CG1-CG2 4.47Å; D112-V116 PolarHBondContact O-N 3.18Å; G113-V116 PolarHBondContact O-N 3.39Å; V116-T120 VanDerWaalsContact O-CB 3.22Å; V116-T120 WeakPolarHBondContact O-CB 3.19Å; V116-T120 PolarHBondContact O-N 2.72Å; V116-T120 PolarHBondContact O-OG1 2.95Å; V116-C138 HydrophobicContact CG1-CB 4.26Å
117	L	97.3	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.2	-41.6	-175.8	-177.6	62.2	0	0	0	112.7	G113 M114 T115 L121 L139 C142 L158 K161 A162 Y165	G113-L117 WeakPolarHBondContact O-CB 3.42Å; G113-L117 PolarHBondContact O-N 3.33Å; M114-L117 PolarHBondContact O-N 3.46Å; M114-L117 HydrophobicContact SD-CD2 4.41Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.4Å; L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 PolarHBondContact O-N 3.24Å; L117-L139 HydrophobicContact CD1-CD1 3.83Å; L117-C142 HydrophobicContact CD1-CB 4.3Å; L117-L158 HydrophobicContact CB-CD1 4.09Å; L117-L158 HydrophobicContact CD2-CD1 3.91Å; L117-K161 HydrophobicContact CD2-CB 3.68Å; L117-A162 HydrophobicContact CD1-CB 4.29Å; L117-A162 HydrophobicContact CD2-CB 4.14Å; L117-Y165 HydrophobicContact CD1-CD2 3.81Å; L117-Y165 HydrophobicContact CD2-CD2 3.96Å; L117-Y165 HydrophobicContact CD2-CE2 4.11Å; L117-Y165 HydrophobicContact CG-CD2 3.59Å; L117-Y165 HydrophobicContact CG-CE2 3.8Å
118	N	97.9	Very high	93.9	Very high	70 Å²	70	37.6 Å²	37.6	37%	0.374	20%	0.199	S	C	.	.	H	α-helix	trans	-69.3	-43.5	179.5	-72.8	-27.1	0	0	0	111.7	M114 T115 T120 L121 E122 Y165	M114-N118 WeakPolarHBondContact O-CB 3.48Å; M114-N118 VanDerWaalsContact O-CG 3.25Å; M114-N118 PolarHBondContact O-N 3.42Å; M114-N118 PolarHBondContact O-ND2 2.93Å; T115-N118 PolarHBondContact O-N 2.79Å; N118-T120 VanDerWaalsContact C-N 3.32Å; N118-T120 PolarHBondContact O-N 2.96Å; N118-L121 PolarHBondContact O-N 3.23Å; N118-E122 WeakPolarHBondContact O-CB 3.4Å; N118-E122 PolarHBondContact O-N 3.06Å; N118-Y165 PolarHBondContact OD1-OH 2.71Å
119	E	97.5	Very high	93.7	Very high	26 Å²	26	38 Å²	38	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-39.7	175.8	-170.7	70	-156.5	0	0	111	L73 L76 R77 T115 L121 E122 I123 R128	L73-E119 HydrophobicContact CD1-CB 4.24Å; L73-E119 HydrophobicContact CD1-CG 3.87Å; L76-E119 HydrophobicContact CD2-CB 4.02Å; L76-E119 HydrophobicContact CD2-CG 4.18Å; R77-E119 HydrophobicContact CG-CG 4.28Å; R77-E119 IonicContact CZ-OE1 2.73Å; R77-E119 IonicContact CZ-OE2 3.36Å; R77-E119 IonicContact NE-OE1 3.41Å; R77-E119 PolarHBondContact NE-OE1 3.17Å; R77-E119 IonicContact NE-OE2 3.77Å; R77-E119 IonicContact NH2-OE1 2.93Å; R77-E119 PolarHBondContact NH2-OE1 3.32Å; R77-E119 IonicContact NH2-OE2 3.89Å; R77-E119 PolarHBondContact NH2-OE2 3.05Å; R77-E119 VanDerWaalsContact NH2-OE2 3.14Å; T115-E119 WeakPolarHBondContact O-CB 3.34Å; T115-E119 PolarHBondContact O-N 3.09Å; E119-L121 PolarHBondContact O-N 3.14Å; E119-E122 PolarHBondContact O-N 3.2Å; E119-I123 HydrophobicContact CG-CD1 4.08Å; E119-I123 PolarHBondContact O-N 2.88Å; E119-R128 IonicContact OE1-NH1 3.93Å
120	T	97.7	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-45.4	174.1	-64.8	0	0	0	0	112	L80 V116 N118 S124 A135 C138 I169	L80-T120 HydrophobicContact CD2-CG2 4.41Å; V116-T120 VanDerWaalsContact O-CB 3.22Å; V116-T120 WeakPolarHBondContact O-CB 3.19Å; V116-T120 PolarHBondContact O-N 2.72Å; V116-T120 PolarHBondContact O-OG1 2.95Å; N118-T120 VanDerWaalsContact C-N 3.32Å; N118-T120 PolarHBondContact O-N 2.96Å; T120-S124 VanDerWaalsContact O-CB 3.26Å; T120-S124 WeakPolarHBondContact O-CB 2.95Å; T120-S124 PolarHBondContact O-N 3.05Å; T120-S124 VanDerWaalsContact O-N 3.08Å; T120-A135 HydrophobicContact CG2-CB 3.76Å; T120-A135 VanDerWaalsContact CG2-O 3.27Å; T120-A135 WeakPolarHBondContact CG2-O 3.34Å; T120-C138 HydrophobicContact CG2-CB 4.04Å; T120-C138 WeakPolarHBondContact OG1-CB 3.22Å; T120-I169 HydrophobicContact CG2-CD1 4.08Å
121	L	97.8	Very high	93.1	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.058	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-47.7	177.1	175.9	68.5	0	0	0	110.9	L117 N118 E119 S124 E125 Y165 R168 I169	L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 PolarHBondContact O-N 3.24Å; N118-L121 PolarHBondContact O-N 3.23Å; E119-L121 PolarHBondContact O-N 3.14Å; L121-S124 PolarHBondContact O-N 3.39Å; L121-E125 HydrophobicContact CD1-CG 3.88Å; L121-E125 HydrophobicContact CG-CG 4.42Å; L121-E125 WeakPolarHBondContact O-CB 3.5Å; L121-E125 PolarHBondContact O-N 3.47Å; L121-Y165 HydrophobicContact CB-CD2 3.79Å; L121-Y165 HydrophobicContact CB-CE2 3.95Å; L121-Y165 HydrophobicContact CD1-CD2 4.25Å; L121-Y165 HydrophobicContact CD1-CG 4.22Å; L121-Y165 HydrophobicContact CD2-CD1 3.99Å; L121-Y165 HydrophobicContact CD2-CD2 3.59Å; L121-Y165 HydrophobicContact CD2-CE1 3.77Å; L121-Y165 HydrophobicContact CD2-CE2 3.35Å; L121-Y165 HydrophobicContact CD2-CG 3.92Å; L121-Y165 VanDerWaalsContact CD2-CZ 3.45Å; L121-Y165 HydrophobicContact CG-CD2 4.08Å; L121-Y165 HydrophobicContact CG-CE2 4.21Å; L121-Y165 HydrophobicContact CG-CG 4.47Å; L121-R168 HydrophobicContact CD1-CB 3.85Å; L121-I169 HydrophobicContact CB-CD1 4.45Å; L121-I169 HydrophobicContact CD1-CD1 4.32Å; L121-I169 HydrophobicContact CD1-CG1 3.94Å
122	E	95.9	Very high	93.2	Very high	96 Å²	96	31.7 Å²	31.7	45%	0.449	17%	0.168	S	C	.	.	H	α-helix	trans	-59.5	-49.5	-178.8	177.6	54	-152	0	0	111.4	N118 E119 S124 E125 S126	N118-E122 WeakPolarHBondContact O-CB 3.4Å; N118-E122 PolarHBondContact O-N 3.06Å; E119-E122 PolarHBondContact O-N 3.2Å; E122-S124 VanDerWaalsContact C-N 3.33Å; E122-S124 PolarHBondContact O-N 2.93Å; E122-E125 PolarHBondContact O-N 3.12Å; E122-S126 VanDerWaalsContact O-CB 3.23Å; E122-S126 WeakPolarHBondContact O-CB 3.22Å; E122-S126 PolarHBondContact O-N 2.98Å; E122-S126 PolarHBondContact O-OG 3.37Å
123	I	93.7	Very high	93.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-39.9	177.6	-73.2	170.4	0	0	0	111.6	R77 L80 I81 E119 S126 G127 R128	R77-I123 HydrophobicContact CG-CD1 4.13Å; L80-I123 HydrophobicContact CB-CD1 3.86Å; L80-I123 HydrophobicContact CB-CG2 4.26Å; L80-I123 HydrophobicContact CD1-CD1 3.64Å; L80-I123 HydrophobicContact CG-CD1 4.42Å; I81-I123 HydrophobicContact CD1-CD1 4.3Å; I81-I123 HydrophobicContact CG1-CD1 4.25Å; I81-I123 HydrophobicContact CG1-CG2 4.21Å; E119-I123 HydrophobicContact CG-CD1 4.08Å; E119-I123 PolarHBondContact O-N 2.88Å; I123-S126 PolarHBondContact O-OG 3.35Å; I123-G127 PolarHBondContact O-N 2.97Å; I123-G127 VanDerWaalsContact O-N 3.17Å; I123-R128 HydrophobicContact CG2-CB 4.23Å; I123-R128 PolarHBondContact O-N 3.04Å
124	S	94	Very high	93.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-46	178.2	168.7	0	0	0	0	112.5	T120 L121 E122 Q132 R171	T120-S124 VanDerWaalsContact O-CB 3.26Å; T120-S124 WeakPolarHBondContact O-CB 2.95Å; T120-S124 PolarHBondContact O-N 3.05Å; T120-S124 VanDerWaalsContact O-N 3.08Å; L121-S124 PolarHBondContact O-N 3.39Å; E122-S124 VanDerWaalsContact C-N 3.33Å; E122-S124 PolarHBondContact O-N 2.93Å; S124-Q132 PolarHBondContact OG-OE1 2.91Å; S124-R171 PolarHBondContact O-NH2 2.96Å
125	E	92	Very high	93.1	Very high	54 Å²	54	27.1 Å²	27.1	25%	0.252	15%	0.149	S	C	.	.	H	α-helix	trans	-74.7	-44.8	-178.2	-73.8	-168.5	148.6	0	0	111.8	L121 E122 G127 R168 R380	L121-E125 HydrophobicContact CD1-CG 3.88Å; L121-E125 HydrophobicContact CG-CG 4.42Å; L121-E125 WeakPolarHBondContact O-CB 3.5Å; L121-E125 PolarHBondContact O-N 3.47Å; E122-E125 PolarHBondContact O-N 3.12Å; E125-G127 PolarHBondContact O-N 2.96Å; E125-R168 VanDerWaalsContact CD-NH2 3.27Å; E125-R168 WeakPolarHBondContact OE1-CB 3.37Å; E125-R168 IonicContact OE1-CZ 3.07Å; E125-R168 IonicContact OE1-NE 3.87Å; E125-R168 PolarHBondContact OE1-NE 2.94Å; E125-R168 IonicContact OE1-NH2 3.35Å; E125-R168 PolarHBondContact OE1-NH2 3.18Å; E125-R168 VanDerWaalsContact OE1-NH2 3.12Å; E125-R168 IonicContact OE2-CZ 3.29Å; E125-R168 IonicContact OE2-NE 4Å; E125-R168 IonicContact OE2-NH2 3.94Å; E125-R168 PolarHBondContact OE2-NH2 2.92Å; E125-R380 WeakPolarHBondContact O-CD 3.39Å; E125-R380 PolarHBondContact O-NE 3.34Å; E125-R380 PolarHBondContact O-NH1 2.81Å
126	S	89.3	Confident	93.1	Very high	42 Å²	42	24.1 Å²	24.1	29%	0.294	13%	0.13	S	C	.	.	H	α-helix	trans	-64.8	-18.3	175.6	60.2	0	0	0	0	113.3	E122 I123 R128	E122-S126 VanDerWaalsContact O-CB 3.23Å; E122-S126 WeakPolarHBondContact O-CB 3.22Å; E122-S126 PolarHBondContact O-N 2.98Å; E122-S126 PolarHBondContact O-OG 3.37Å; I123-S126 PolarHBondContact O-OG 3.35Å; S126-R128 VanDerWaalsContact C-N 3.33Å; S126-R128 WeakPolarHBondContact OG-CD 3.27Å; S126-R128 WeakPolarHBondContact OG-CG 3.39Å
127	G	86.6	Confident	93	Very high	9 Å²	9	26.5 Å²	26.5	9%	0.093	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	24.3	-179.5	0	0	0	0	0	113.1	I123 E125 S129	I123-G127 PolarHBondContact O-N 2.97Å; I123-G127 VanDerWaalsContact O-N 3.17Å; E125-G127 PolarHBondContact O-N 2.96Å; G127-S129 PolarHBondContact O-N 3.43Å
128	R	89.6	Confident	92.9	Very high	20 Å²	20	26.5 Å²	26.5	8%	0.075	14%	0.14	C	C	.	.			trans	-75.1	-0.8	180	-73.2	169.9	64.9	-158.4	-0.7	114.6	E119 I123 S126 H382 D627 V629	E119-R128 IonicContact OE1-NH1 3.93Å; I123-R128 HydrophobicContact CG2-CB 4.23Å; I123-R128 PolarHBondContact O-N 3.04Å; S126-R128 VanDerWaalsContact C-N 3.33Å; S126-R128 WeakPolarHBondContact OG-CD 3.27Å; S126-R128 WeakPolarHBondContact OG-CG 3.39Å; R128-H382 VanDerWaalsContact C-CD2 3.49Å; R128-H382 PolarHBondContact O-CD2 2.96Å; R128-H382 PolarHBondContact O-NE2 2.9Å; R128-D627 IonicContact CZ-OD1 3.1Å; R128-D627 IonicContact CZ-OD2 2.69Å; R128-D627 IonicContact NE-OD1 3.27Å; R128-D627 PolarHBondContact NE-OD1 2.87Å; R128-D627 IonicContact NE-OD2 3.41Å; R128-D627 PolarHBondContact NE-OD2 3.43Å; R128-D627 IonicContact NH2-OD1 2.95Å; R128-D627 IonicContact NH2-OD2 2.75Å; R128-D627 PolarHBondContact NH2-OD2 3.45Å; R128-V629 HydrophobicContact CG-CG1 4.12Å
129	S	88.7	Confident	92.9	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.063	12%	0.122	C	C	.	.			trans	-121.6	133.3	175.4	179.4	0	0	0	0	111	L80 G127 K131	L80-S129 WeakPolarHBondContact O-CB 3.39Å; L80-S129 PolarHBondContact O-OG 3.31Å; G127-S129 PolarHBondContact O-N 3.43Å; S129-K131 VanDerWaalsContact C-N 3.26Å; S129-K131 PolarHBondContact O-N 3.04Å; S129-K131 PolarHBondContact OG-N 3.06Å; S129-K131 PolarHBondContact OG-O 2.99Å
130	P	84.3	Confident	92.7	Very high	39 Å²	39	22 Å²	22	25%	0.253	12%	0.116	S	C	.	.	S	Bend	trans	-70.5	-23.6	178.7	30.2	-32.9	0	0	0	112.5	I81 H382 M384	I81-P130 WeakPolarHBondContact O-CD 3.42Å; P130-H382 HydrophobicContact CB-CB 4.42Å; P130-M384 HydrophobicContact CB-CB 4.22Å; P130-M384 HydrophobicContact CG-CB 4.39Å; P130-M384 HydrophobicContact CG-CE 3.82Å
131	K	86.1	Confident	92.5	Very high	70 Å²	70	22 Å²	22	30%	0.304	12%	0.117	S	C	.	.			trans	-127.7	142.8	-177.5	-65.9	-178.4	-176.5	175.2	0	110.2	E85 S129 S488	E85-K131 IonicContact OE1-NZ 3.69Å; E85-K131 PolarHBondContact OE1-NZ 2.97Å; E85-K131 IonicContact OE2-NZ 3.68Å; E85-K131 PolarHBondContact OE2-NZ 2.71Å; S129-K131 VanDerWaalsContact C-N 3.26Å; S129-K131 PolarHBondContact O-N 3.04Å; S129-K131 PolarHBondContact OG-N 3.06Å; S129-K131 PolarHBondContact OG-O 2.99Å; K131-S488 PolarHBondContact NZ-O 3.46Å
132	Q	90.5	Very high	92.3	Very high	26 Å²	26	21.5 Å²	21.5	12%	0.121	11%	0.114	C	C	.	.	S	Bend	trans	-92.9	-14.5	-174.7	-65.4	-73.4	-65.7	0	0	113.4	S124 A135 I136	S124-Q132 PolarHBondContact OG-OE1 2.91Å; Q132-A135 PolarHBondContact O-N 3.42Å; Q132-A135 VanDerWaalsContact O-N 3.14Å; Q132-I136 HydrophobicContact CB-CD1 3.86Å; Q132-I136 HydrophobicContact CB-CG1 4.49Å; Q132-I136 WeakPolarHBondContact O-CD1 3.22Å; Q132-I136 VanDerWaalsContact O-CG1 3.28Å; Q132-I136 WeakPolarHBondContact O-CG1 3.29Å; Q132-I136 PolarHBondContact O-N 2.95Å
133	G	92.1	Very high	92.1	Very high	13 Å²	13	17 Å²	17	13%	0.134	9%	0.093	C	C	.	.	H	α-helix	trans	-52.9	-51.4	-174.9	0	0	0	0	0	114.5	A135 I136 Y137 E178	G133-A135 VanDerWaalsContact C-N 3.33Å; G133-A135 PolarHBondContact O-N 3.2Å; G133-I136 PolarHBondContact O-N 3.25Å; G133-I136 VanDerWaalsContact O-N 3.15Å; G133-Y137 WeakPolarHBondContact O-CB 3.28Å; G133-Y137 PolarHBondContact O-N 3.44Å; G133-E178 WeakPolarHBondContact CA-OE1 3.38Å
134	P	93.4	Very high	91.8	Very high	18 Å²	18	18.6 Å²	18.6	12%	0.117	10%	0.099	C	C	.	.	H	α-helix	trans	-55.6	-43.3	176.4	-29.6	37.5	0	0	0	113.7	F79 L80 Y137 C138	F79-P134 HydrophobicContact CD1-CB 4.21Å; F79-P134 HydrophobicContact CE1-CB 3.85Å; F79-P134 HydrophobicContact CE2-CB 4.32Å; F79-P134 HydrophobicContact CZ-CB 3.92Å; F79-P134 WeakPolarHBondContact O-CB 3.39Å; L80-P134 HydrophobicContact CD2-CB 4.15Å; P134-Y137 WeakPolarHBondContact O-CB 3.12Å; P134-Y137 PolarHBondContact O-N 3.49Å; P134-C138 PolarHBondContact O-N 2.68Å; P134-C138 PolarHBondContact O-SG 3.06Å
135	A	96.5	Very high	91.1	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-40.3	178.2	0	0	0	0	0	112.2	L80 T120 Q132 G133 Y137 C138 L139 I169	L80-A135 HydrophobicContact CD2-CB 4.11Å; T120-A135 HydrophobicContact CG2-CB 3.76Å; T120-A135 VanDerWaalsContact CG2-O 3.27Å; T120-A135 WeakPolarHBondContact CG2-O 3.34Å; Q132-A135 PolarHBondContact O-N 3.42Å; Q132-A135 VanDerWaalsContact O-N 3.14Å; G133-A135 VanDerWaalsContact C-N 3.33Å; G133-A135 PolarHBondContact O-N 3.2Å; A135-Y137 VanDerWaalsContact C-N 3.3Å; A135-Y137 PolarHBondContact O-N 2.97Å; A135-C138 PolarHBondContact O-N 3.41Å; A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 PolarHBondContact O-N 3.34Å; A135-I169 HydrophobicContact CB-CG2 4.43Å
136	I	96.5	Very high	89.8	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.9	-35.3	176.8	-62.5	159.6	0	0	0	110.8	Q132 G133 A140 I169 H175 E178 F179 Y182	Q132-I136 HydrophobicContact CB-CD1 3.86Å; Q132-I136 HydrophobicContact CB-CG1 4.49Å; Q132-I136 WeakPolarHBondContact O-CD1 3.22Å; Q132-I136 VanDerWaalsContact O-CG1 3.28Å; Q132-I136 WeakPolarHBondContact O-CG1 3.29Å; Q132-I136 PolarHBondContact O-N 2.95Å; G133-I136 PolarHBondContact O-N 3.25Å; G133-I136 VanDerWaalsContact O-N 3.15Å; I136-A140 WeakPolarHBondContact O-CB 3.47Å; I136-A140 PolarHBondContact O-N 3.38Å; I136-I169 HydrophobicContact CG1-CG2 4.28Å; I136-H175 HydrophobicContact CD1-CB 3.59Å; I136-H175 HydrophobicContact CG1-CB 4.29Å; I136-E178 HydrophobicContact CD1-CB 4.28Å; I136-E178 HydrophobicContact CD1-CG 4.46Å; I136-E178 WeakPolarHBondContact CD1-OE2 3.35Å; I136-E178 HydrophobicContact CG2-CB 4.21Å; I136-E178 HydrophobicContact CG2-CG 4.22Å; I136-F179 VanDerWaalsContact CG2-CA 3.47Å; I136-F179 HydrophobicContact CG2-CB 3.65Å; I136-Y182 HydrophobicContact CB-CE2 4.31Å; I136-Y182 HydrophobicContact CG2-CD2 3.95Å; I136-Y182 HydrophobicContact CG2-CE2 4.07Å
137	Y	95.1	Very high	88.5	Confident	50 Å²	50	18.2 Å²	18.2	20%	0.196	10%	0.095	C	C	.	.	H	α-helix	trans	-65.6	-49.6	174.5	-176.9	-104.9	0	0	0	112	F79 A101 G133 P134 A135 L139 A140 L141 Y182 M186	F79-Y137 HydrophobicContact CE1-CD1 4.17Å; F79-Y137 HydrophobicContact CZ-CD1 4.01Å; A101-Y137 HydrophobicContact CB-CE1 3.82Å; A101-Y137 VanDerWaalsContact CB-OH 3.25Å; A101-Y137 WeakPolarHBondContact CB-OH 3.16Å; G133-Y137 WeakPolarHBondContact O-CB 3.28Å; G133-Y137 PolarHBondContact O-N 3.44Å; P134-Y137 WeakPolarHBondContact O-CB 3.12Å; P134-Y137 PolarHBondContact O-N 3.49Å; A135-Y137 VanDerWaalsContact C-N 3.3Å; A135-Y137 PolarHBondContact O-N 2.97Å; Y137-L139 VanDerWaalsContact C-N 3.31Å; Y137-L139 PolarHBondContact O-N 3.38Å; Y137-A140 WeakPolarHBondContact O-CB 3.5Å; Y137-A140 PolarHBondContact O-N 3.48Å; Y137-A140 VanDerWaalsContact O-N 3.08Å; Y137-L141 HydrophobicContact CD1-CD1 3.98Å; Y137-L141 HydrophobicContact CD1-CG 4.43Å; Y137-L141 HydrophobicContact CE1-CD1 3.47Å; Y137-L141 VanDerWaalsContact CE1-CD1 3.47Å; Y137-L141 HydrophobicContact CE1-CG 4.03Å; Y137-L141 PolarHBondContact O-N 3.24Å; Y137-Y182 AromaticContact CD2-CD1 3.74Å; Y137-Y182 HydrophobicContact CD2-CD1 3.74Å; Y137-Y182 HydrophobicContact CD2-CD2 4.18Å; Y137-Y182 AromaticContact CD2-CE1 3.83Å; Y137-Y182 HydrophobicContact CD2-CE1 3.83Å; Y137-Y182 HydrophobicContact CD2-CE2 4.27Å; Y137-Y182 AromaticContact CD2-CG 3.96Å; Y137-Y182 HydrophobicContact CD2-CG 3.96Å; Y137-Y182 HydrophobicContact CE2-CD1 4.34Å; Y137-M186 HydrophobicContact CD2-CE 3.62Å; Y137-M186 HydrophobicContact CE2-CE 3.28Å; Y137-M186 HydrophobicContact CG-CE 4.46Å
138	C	96.1	Very high	87.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.4	-42.8	174.6	-70	0	0	0	0	111.9	L80 V116 T120 P134 A135 A140 L141 C142	L80-C138 HydrophobicContact CD2-CB 4.49Å; V116-C138 HydrophobicContact CG1-CB 4.26Å; T120-C138 HydrophobicContact CG2-CB 4.04Å; T120-C138 WeakPolarHBondContact OG1-CB 3.22Å; P134-C138 PolarHBondContact O-N 2.68Å; P134-C138 PolarHBondContact O-SG 3.06Å; A135-C138 PolarHBondContact O-N 3.41Å; C138-A140 VanDerWaalsContact C-N 3.31Å; C138-A140 PolarHBondContact O-N 3.08Å; C138-L141 PolarHBondContact O-N 2.61Å; C138-C142 PolarHBondContact O-N 2.95Å; C138-C142 PolarHBondContact O-SG 2.68Å
139	L	96.7	Very high	87	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-43.7	173.7	179.2	65.9	0	0	0	111.9	L117 A135 Y137 C142 A143 A162 L166 I169 F179	L117-L139 HydrophobicContact CD1-CD1 3.83Å; A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 PolarHBondContact O-N 3.34Å; Y137-L139 VanDerWaalsContact C-N 3.31Å; Y137-L139 PolarHBondContact O-N 3.38Å; L139-C142 PolarHBondContact O-N 3.42Å; L139-A143 VanDerWaalsContact O-CB 3.27Å; L139-A143 WeakPolarHBondContact O-CB 3.32Å; L139-A143 PolarHBondContact O-N 3.28Å; L139-A162 HydrophobicContact CD1-CB 4.09Å; L139-A162 VanDerWaalsContact CD1-O 3.29Å; L139-A162 WeakPolarHBondContact CD1-O 3.46Å; L139-L166 HydrophobicContact CD2-CD1 4.37Å; L139-I169 HydrophobicContact CB-CD1 4.35Å; L139-I169 HydrophobicContact CD1-CD1 3.93Å; L139-I169 HydrophobicContact CD2-CB 4.09Å; L139-I169 HydrophobicContact CD2-CD1 4.14Å; L139-I169 HydrophobicContact CD2-CG2 4.12Å; L139-I169 HydrophobicContact CG-CD1 4.37Å; L139-F179 HydrophobicContact CD2-CD2 3.97Å; L139-F179 HydrophobicContact CD2-CE2 4.17Å; L139-F179 HydrophobicContact CG-CD2 4.16Å; L139-F179 HydrophobicContact CG-CE2 4Å
140	A	94.2	Very high	86.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-40.9	177.5	0	0	0	0	0	112	I136 Y137 C138 A143 R144 F179 Y182 M186	I136-A140 WeakPolarHBondContact O-CB 3.47Å; I136-A140 PolarHBondContact O-N 3.38Å; Y137-A140 WeakPolarHBondContact O-CB 3.5Å; Y137-A140 PolarHBondContact O-N 3.48Å; Y137-A140 VanDerWaalsContact O-N 3.08Å; C138-A140 VanDerWaalsContact C-N 3.31Å; C138-A140 PolarHBondContact O-N 3.08Å; A140-A143 PolarHBondContact O-N 3.25Å; A140-R144 VanDerWaalsContact O-CB 3.25Å; A140-R144 WeakPolarHBondContact O-CB 3.36Å; A140-R144 WeakPolarHBondContact O-CG 3.46Å; A140-R144 PolarHBondContact O-N 3.47Å; A140-F179 HydrophobicContact CB-CD2 4.09Å; A140-F179 HydrophobicContact CB-CE2 4.16Å; A140-Y182 HydrophobicContact CB-CD2 4.47Å; A140-Y182 HydrophobicContact CB-CG 4.46Å; A140-M186 HydrophobicContact CB-CE 3.8Å; A140-M186 HydrophobicContact CB-SD 3.8Å
141	L	92.9	Very high	86.7	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.146	C	C	.	.	I	π-helix	trans	-59.3	-50.4	173.4	-73.3	177	0	0	0	111.3	V104 I105 I108 Y137 C138 A143 R144 Y145 A146 M186	V104-L141 HydrophobicContact CB-CD1 4Å; V104-L141 HydrophobicContact CG1-CD1 3.61Å; I105-L141 HydrophobicContact CD1-CD2 4.2Å; I105-L141 HydrophobicContact CG1-CD1 4.24Å; I105-L141 HydrophobicContact CG1-CD2 3.98Å; I108-L141 HydrophobicContact CD1-CB 3.85Å; Y137-L141 HydrophobicContact CD1-CD1 3.98Å; Y137-L141 HydrophobicContact CD1-CG 4.43Å; Y137-L141 HydrophobicContact CE1-CD1 3.47Å; Y137-L141 VanDerWaalsContact CE1-CD1 3.47Å; Y137-L141 HydrophobicContact CE1-CG 4.03Å; Y137-L141 PolarHBondContact O-N 3.24Å; C138-L141 PolarHBondContact O-N 2.61Å; L141-A143 VanDerWaalsContact C-N 3.27Å; L141-A143 PolarHBondContact O-N 2.95Å; L141-R144 PolarHBondContact O-N 3.35Å; L141-Y145 HydrophobicContact CD2-CD2 4.38Å; L141-Y145 HydrophobicContact CD2-CG 4.13Å; L141-Y145 WeakPolarHBondContact O-CA 3.16Å; L141-Y145 VanDerWaalsContact O-CB 3.29Å; L141-Y145 WeakPolarHBondContact O-CB 3.38Å; L141-Y145 PolarHBondContact O-N 2.94Å; L141-A146 PolarHBondContact O-N 3.29Å; L141-A146 VanDerWaalsContact O-N 3.16Å; L141-M186 HydrophobicContact CD2-CE 3.52Å; L141-M186 HydrophobicContact CD2-SD 3.98Å; L141-M186 HydrophobicContact CG-CE 3.67Å; L141-M186 HydrophobicContact CG-SD 4.43Å
142	C	94	Very high	86.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-63.4	-31.8	177.6	-65.4	0	0	0	0	112.7	L117 C138 L139 L158 A162	L117-C142 HydrophobicContact CD1-CB 4.3Å; C138-C142 PolarHBondContact O-N 2.95Å; C138-C142 PolarHBondContact O-SG 2.68Å; L139-C142 PolarHBondContact O-N 3.42Å; C142-L158 HydrophobicContact CB-CD1 3.96Å; C142-L158 HydrophobicContact CB-CD2 4.4Å; C142-L158 HydrophobicContact CB-CG 4.1Å; C142-A162 HydrophobicContact CB-CB 4.06Å
143	A	92.7	Very high	86.7	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.008	18%	0.183	C	C	.	.	I	π-helix	trans	-79.2	-30.2	178.1	0	0	0	0	0	113.9	L139 A140 L141 A162 Y163 F179	L139-A143 VanDerWaalsContact O-CB 3.27Å; L139-A143 WeakPolarHBondContact O-CB 3.32Å; L139-A143 PolarHBondContact O-N 3.28Å; A140-A143 PolarHBondContact O-N 3.25Å; L141-A143 VanDerWaalsContact C-N 3.27Å; L141-A143 PolarHBondContact O-N 2.95Å; A143-A162 HydrophobicContact CB-CB 3.89Å; A143-Y163 HydrophobicContact CB-CE1 4.11Å; A143-Y163 HydrophobicContact CB-CE2 4.42Å; A143-F179 HydrophobicContact CB-CE2 4.21Å; A143-F179 HydrophobicContact CB-CZ 4.21Å
144	R	87.3	Confident	86.4	Confident	34 Å²	34	37 Å²	37	13%	0.128	20%	0.199	C	C	.	.	I	π-helix	trans	-123	-49.2	-167.1	-59.6	-51.7	-52.6	-161.4	-3.3	114.6	A140 L141 A147 Y163 C183 M186 N187 G192 Q197	A140-R144 VanDerWaalsContact O-CB 3.25Å; A140-R144 WeakPolarHBondContact O-CB 3.36Å; A140-R144 WeakPolarHBondContact O-CG 3.46Å; A140-R144 PolarHBondContact O-N 3.47Å; L141-R144 PolarHBondContact O-N 3.35Å; R144-A147 WeakPolarHBondContact O-CB 3.29Å; R144-A147 PolarHBondContact O-N 2.94Å; R144-Y163 WeakPolarHBondContact CD-OH 3.5Å; R144-Y163 PolarHBondContact NH1-OH 3.14Å; R144-C183 HydrophobicContact CG-CB 4.05Å; R144-C183 VanDerWaalsContact CG-SG 3.55Å; R144-M186 HydrophobicContact CB-CB 4.35Å; R144-M186 HydrophobicContact CB-SD 4.29Å; R144-N187 PolarHBondContact NH2-ND2 2.98Å; R144-G192 VanDerWaalsContact CZ-O 3.23Å; R144-G192 PolarHBondContact NH1-O 3.49Å; R144-G192 PolarHBondContact NH2-O 2.88Å; R144-Q197 VanDerWaalsContact NH1-OE1 3.12Å
145	Y	78.9	Confident	86.2	Confident	63 Å²	63	39.2 Å²	39.2	25%	0.247	21%	0.205	C	C	.	.	I	π-helix	trans	-69.1	-47	-176.5	-174.3	-87.9	0	0	0	110.7	I105 E109 L141 A147 K148 E149	I105-Y145 HydrophobicContact CB-CE1 4.16Å; I105-Y145 HydrophobicContact CD1-CD2 4.12Å; I105-Y145 HydrophobicContact CD1-CE2 3.83Å; I105-Y145 HydrophobicContact CG1-CD1 4.04Å; I105-Y145 HydrophobicContact CG1-CD2 4.24Å; I105-Y145 HydrophobicContact CG1-CE1 3.96Å; I105-Y145 HydrophobicContact CG1-CE2 4.13Å; I105-Y145 HydrophobicContact CG1-CG 4.2Å; I105-Y145 HydrophobicContact CG2-CD1 4.29Å; I105-Y145 HydrophobicContact CG2-CE1 3.42Å; I105-Y145 VanDerWaalsContact CG2-CE1 3.42Å; I105-Y145 HydrophobicContact CG2-CE2 4.28Å; I105-Y145 VanDerWaalsContact CG2-OH 3.25Å; I105-Y145 WeakPolarHBondContact CG2-OH 3.36Å; E109-Y145 HydrophobicContact CG-CE1 4.25Å; E109-Y145 WeakPolarHBondContact OE1-CE1 3.48Å; E109-Y145 PolarHBondContact OE1-OH 3.03Å; L141-Y145 HydrophobicContact CD2-CD2 4.38Å; L141-Y145 HydrophobicContact CD2-CG 4.13Å; L141-Y145 WeakPolarHBondContact O-CA 3.16Å; L141-Y145 VanDerWaalsContact O-CB 3.29Å; L141-Y145 WeakPolarHBondContact O-CB 3.38Å; L141-Y145 PolarHBondContact O-N 2.94Å; Y145-A147 PolarHBondContact O-N 3.29Å; Y145-K148 PolarHBondContact O-N 2.9Å; Y145-K148 VanDerWaalsContact O-N 3.1Å; Y145-E149 HydrophobicContact CE1-CG 3.91Å
146	A	65.2	Low	85.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-51.9	-24	174.5	0	0	0	0	0	113.4	I108 L141 K148 L150 R155 L158	I108-A146 HydrophobicContact CG2-CB 3.96Å; L141-A146 PolarHBondContact O-N 3.29Å; L141-A146 VanDerWaalsContact O-N 3.16Å; A146-K148 PolarHBondContact O-N 3.43Å; A146-K148 VanDerWaalsContact O-N 3.1Å; A146-L150 HydrophobicContact CB-CD1 4.16Å; A146-R155 VanDerWaalsContact O-CG 3.24Å; A146-R155 WeakPolarHBondContact O-CG 3.46Å; A146-L158 HydrophobicContact CB-CD2 3.62Å; A146-L158 HydrophobicContact CB-CG 4.35Å
147	A	60.4	Low	85.7	Confident	26 Å²	26	45.6 Å²	45.6	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-17.4	-179.1	0	0	0	0	0	114.6	R144 Y145 R155	R144-A147 WeakPolarHBondContact O-CB 3.29Å; R144-A147 PolarHBondContact O-N 2.94Å; Y145-A147 PolarHBondContact O-N 3.29Å; A147-R155 VanDerWaalsContact C-CD 3.42Å; A147-R155 VanDerWaalsContact CA-CD 3.45Å; A147-R155 WeakPolarHBondContact O-CD 3.41Å; A147-R155 PolarHBondContact O-NH1 2.99Å
148	K	69.2	Low	85.7	Confident	122 Å²	122	43.4 Å²	43.4	53%	0.53	23%	0.228	S	C	.	.	H	α-helix	trans	-109.8	-36.2	-171.9	-64.1	-177	-177.6	174.4	0	114	Y145 A146 N187	Y145-K148 PolarHBondContact O-N 2.9Å; Y145-K148 VanDerWaalsContact O-N 3.1Å; A146-K148 PolarHBondContact O-N 3.43Å; A146-K148 VanDerWaalsContact O-N 3.1Å; K148-N187 PolarHBondContact NZ-OD1 3.28Å
149	E	75.6	Confident	85.6	Confident	114 Å²	114	46.7 Å²	46.7	53%	0.533	24%	0.24	S	C	.	.	H	α-helix	trans	-101.9	-27.8	-167.7	-53.1	-50.5	131.3	0	0	114.8	E109 Y145	E109-E149 HydrophobicContact CG-CB 4.21Å; Y145-E149 HydrophobicContact CE1-CG 3.91Å
150	L	81.5	Confident	85.5	Confident	14 Å²	14	52 Å²	52	7%	0.073	26%	0.261	C	S	.	.	S	Bend	trans	-83	154.7	-176	-78.7	178.1	0	0	0	113.7	I108 A146 R155 L158	I108-L150 HydrophobicContact CG2-CD1 3.92Å; I108-L150 HydrophobicContact CG2-CG 4.37Å; I108-L150 WeakPolarHBondContact O-CD2 3.22Å; A146-L150 HydrophobicContact CB-CD1 4.16Å; L150-R155 HydrophobicContact CB-CB 3.9Å; L150-L158 HydrophobicContact CD1-CD2 3.89Å
151	P	86.2	Confident	85.6	Confident	66 Å²	66	54 Å²	54	43%	0.429	27%	0.269	S	S	.	.			trans	-51.4	143	168.5	-25	34.4	0	0	0	111.5	A153 E154 R155	P151-A153 VanDerWaalsContact C-N 3.29Å; P151-A153 PolarHBondContact O-N 3.12Å; P151-A153 VanDerWaalsContact O-N 3.08Å; P151-E154 PolarHBondContact O-N 3.1Å; P151-R155 VanDerWaalsContact O-CB 3.27Å; P151-R155 WeakPolarHBondContact O-CB 3.09Å; P151-R155 PolarHBondContact O-N 3.43Å
152	P	86.9	Confident	85.8	Confident	84 Å²	84	53.9 Å²	53.9	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-52.5	-39.5	-170.1	-31	35.8	0	0	0	115.5	D156	P152-D156 WeakPolarHBondContact O-CB 3.07Å; P152-D156 PolarHBondContact O-N 3.06Å
153	A	88.7	Confident	85.9	Confident	79 Å²	79	54.9 Å²	54.9	65%	0.653	27%	0.273	S	S	*	.	H	α-helix	trans	-68.4	-51	-178.7	0	0	0	0	0	112.6	P151 D156 E157	P151-A153 VanDerWaalsContact C-N 3.29Å; P151-A153 PolarHBondContact O-N 3.12Å; P151-A153 VanDerWaalsContact O-N 3.08Å; A153-D156 PolarHBondContact O-N 3.28Å; A153-E157 PolarHBondContact O-N 3.15Å
154	E	87.8	Confident	86.1	Confident	101 Å²	101	58.8 Å²	58.8	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-45.1	178	-69.9	171.9	-142.7	0	0	111.3	P151 D156 E157 L158	P151-E154 PolarHBondContact O-N 3.1Å; E154-D156 PolarHBondContact O-N 3.23Å; E154-E157 PolarHBondContact O-N 3.32Å; E154-L158 VanDerWaalsContact O-CB 3.3Å; E154-L158 WeakPolarHBondContact O-CB 3.43Å; E154-L158 PolarHBondContact O-N 3.16Å
155	R	87.9	Confident	86.6	Confident	64 Å²	64	58.2 Å²	58.2	24%	0.242	29%	0.289	C	S	.	.	H	α-helix	trans	-53.8	-52.2	172.9	172.4	-172.3	75.2	-172.2	-0.2	112	A146 A147 L150 P151 E157 L158 R159	A146-R155 VanDerWaalsContact O-CG 3.24Å; A146-R155 WeakPolarHBondContact O-CG 3.46Å; A147-R155 VanDerWaalsContact C-CD 3.42Å; A147-R155 VanDerWaalsContact CA-CD 3.45Å; A147-R155 WeakPolarHBondContact O-CD 3.41Å; A147-R155 PolarHBondContact O-NH1 2.99Å; L150-R155 HydrophobicContact CB-CB 3.9Å; P151-R155 VanDerWaalsContact O-CB 3.27Å; P151-R155 WeakPolarHBondContact O-CB 3.09Å; P151-R155 PolarHBondContact O-N 3.43Å; R155-E157 VanDerWaalsContact C-N 3.32Å; R155-L158 PolarHBondContact O-N 3.32Å; R155-R159 WeakPolarHBondContact O-CB 3.31Å; R155-R159 PolarHBondContact O-N 2.9Å
156	D	89.9	Confident	87.5	Confident	61 Å²	61	55.2 Å²	55.2	33%	0.326	28%	0.277	S	S	.	.	H	α-helix	trans	-68.5	-36.2	-172.3	-74.5	-17.4	0	0	0	110.7	P152 A153 E154 R159 R160	P152-D156 WeakPolarHBondContact O-CB 3.07Å; P152-D156 PolarHBondContact O-N 3.06Å; A153-D156 PolarHBondContact O-N 3.28Å; E154-D156 PolarHBondContact O-N 3.23Å; D156-R159 IonicContact OD1-CZ 2.68Å; D156-R159 IonicContact OD1-NH1 2.87Å; D156-R159 IonicContact OD1-NH2 2.72Å; D156-R159 PolarHBondContact OD1-NH2 3.17Å; D156-R160 WeakPolarHBondContact O-CB 3.44Å; D156-R160 PolarHBondContact O-N 2.9Å
157	E	93.1	Very high	89.1	Confident	76 Å²	76	58.1 Å²	58.1	36%	0.355	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-50.1	173.4	179.2	56.8	-167.4	0	0	112.1	A153 E154 R155 R159 R160 K161	A153-E157 PolarHBondContact O-N 3.15Å; E154-E157 PolarHBondContact O-N 3.32Å; R155-E157 VanDerWaalsContact C-N 3.32Å; E157-R159 VanDerWaalsContact C-N 3.32Å; E157-R159 PolarHBondContact O-N 2.99Å; E157-R160 VanDerWaalsContact CD-NH2 3.29Å; E157-R160 WeakPolarHBondContact O-CB 3Å; E157-R160 PolarHBondContact O-N 3.1Å; E157-R160 VanDerWaalsContact O-N 3.13Å; E157-R160 IonicContact OE1-CZ 2.73Å; E157-R160 IonicContact OE1-NE 3.26Å; E157-R160 IonicContact OE1-NH2 2.61Å; E157-R160 PolarHBondContact OE1-NH2 3.14Å; E157-R160 IonicContact OE2-CZ 3.75Å; E157-R160 IonicContact OE2-NE 3.07Å; E157-R160 PolarHBondContact OE2-NE 3.49Å; E157-R160 IonicContact OE2-NH2 3.79Å; E157-R160 PolarHBondContact OE2-NH2 2.6Å; E157-K161 PolarHBondContact O-N 3.18Å; E157-K161 WeakPolarHBondContact OE1-CG 3.48Å
158	L	94.6	Very high	90.8	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-57.9	-45.9	177.9	179	57.9	0	0	0	111.3	I108 G113 M114 L117 C142 A146 L150 E154 R155 R160 K161 A162	I108-L158 HydrophobicContact CG2-CD2 4.18Å; G113-L158 VanDerWaalsContact C-CD1 3.45Å; G113-L158 VanDerWaalsContact O-CD1 3.29Å; G113-L158 WeakPolarHBondContact O-CD1 3.39Å; M114-L158 HydrophobicContact CG-CD1 4.34Å; M114-L158 HydrophobicContact SD-CD1 3.85Å; L117-L158 HydrophobicContact CB-CD1 4.09Å; L117-L158 HydrophobicContact CD2-CD1 3.91Å; C142-L158 HydrophobicContact CB-CD1 3.96Å; C142-L158 HydrophobicContact CB-CD2 4.4Å; C142-L158 HydrophobicContact CB-CG 4.1Å; A146-L158 HydrophobicContact CB-CD2 3.62Å; A146-L158 HydrophobicContact CB-CG 4.35Å; L150-L158 HydrophobicContact CD1-CD2 3.89Å; E154-L158 VanDerWaalsContact O-CB 3.3Å; E154-L158 WeakPolarHBondContact O-CB 3.43Å; E154-L158 PolarHBondContact O-N 3.16Å; R155-L158 PolarHBondContact O-N 3.32Å; L158-R160 PolarHBondContact O-N 3.4Å; L158-K161 PolarHBondContact O-N 3.26Å; L158-A162 WeakPolarHBondContact O-CB 3.32Å; L158-A162 PolarHBondContact O-N 2.67Å
159	R	93.5	Very high	92.2	Very high	69 Å²	69	55.8 Å²	55.8	26%	0.26	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-43.5	176.6	-178.7	-178.1	67.9	-163.9	-9.3	111.6	R155 D156 E157 A162 Y163	R155-R159 WeakPolarHBondContact O-CB 3.31Å; R155-R159 PolarHBondContact O-N 2.9Å; D156-R159 IonicContact OD1-CZ 2.68Å; D156-R159 IonicContact OD1-NH1 2.87Å; D156-R159 IonicContact OD1-NH2 2.72Å; D156-R159 PolarHBondContact OD1-NH2 3.17Å; E157-R159 VanDerWaalsContact C-N 3.32Å; E157-R159 PolarHBondContact O-N 2.99Å; R159-A162 PolarHBondContact O-N 3.3Å; R159-Y163 HydrophobicContact CG-CD2 3.84Å; R159-Y163 HydrophobicContact CG-CE2 3.47Å; R159-Y163 VanDerWaalsContact CG-CE2 3.47Å; R159-Y163 WeakPolarHBondContact O-CD2 3.07Å; R159-Y163 PolarHBondContact O-N 2.98Å; R159-Y163 VanDerWaalsContact O-N 3.12Å
160	R	94.7	Very high	93.2	Very high	113 Å²	113	50.3 Å²	50.3	43%	0.426	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-46.9	178.5	-174.1	-166.3	69	72.5	-3.8	110.2	D156 E157 L158 Y163 E164	D156-R160 WeakPolarHBondContact O-CB 3.44Å; D156-R160 PolarHBondContact O-N 2.9Å; E157-R160 VanDerWaalsContact CD-NH2 3.29Å; E157-R160 WeakPolarHBondContact O-CB 3Å; E157-R160 PolarHBondContact O-N 3.1Å; E157-R160 VanDerWaalsContact O-N 3.13Å; E157-R160 IonicContact OE1-CZ 2.73Å; E157-R160 IonicContact OE1-NE 3.26Å; E157-R160 IonicContact OE1-NH2 2.61Å; E157-R160 PolarHBondContact OE1-NH2 3.14Å; E157-R160 IonicContact OE2-CZ 3.75Å; E157-R160 IonicContact OE2-NE 3.07Å; E157-R160 PolarHBondContact OE2-NE 3.49Å; E157-R160 IonicContact OE2-NH2 3.79Å; E157-R160 PolarHBondContact OE2-NH2 2.6Å; L158-R160 PolarHBondContact O-N 3.4Å; R160-Y163 PolarHBondContact O-N 3.4Å; R160-E164 IonicContact CZ-OE2 3.14Å; R160-E164 IonicContact NH1-OE2 3.81Å; R160-E164 PolarHBondContact NH1-OE2 3.04Å; R160-E164 PolarHBondContact O-N 3.19Å
161	K	96.8	Very high	93.8	Very high	40 Å²	40	53.7 Å²	53.7	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-40.5	176.5	-78.2	-61.3	-165.5	-171.2	0	113.1	M114 L117 E157 L158 Y163 E164 Y165	M114-K161 HydrophobicContact CE-CB 4.36Å; M114-K161 HydrophobicContact CE-CG 3.97Å; M114-K161 HydrophobicContact SD-CB 4.15Å; M114-K161 HydrophobicContact SD-CG 4.2Å; L117-K161 HydrophobicContact CD2-CB 3.68Å; E157-K161 PolarHBondContact O-N 3.18Å; E157-K161 WeakPolarHBondContact OE1-CG 3.48Å; L158-K161 PolarHBondContact O-N 3.26Å; K161-Y163 VanDerWaalsContact C-N 3.34Å; K161-Y163 PolarHBondContact O-N 3.21Å; K161-E164 WeakPolarHBondContact CD-OE2 3.18Å; K161-E164 VanDerWaalsContact NZ-CD 3.31Å; K161-E164 IonicContact NZ-OE1 3.33Å; K161-E164 PolarHBondContact NZ-OE1 3.45Å; K161-E164 IonicContact NZ-OE2 2.75Å; K161-E164 PolarHBondContact NZ-OE2 3.32Å; K161-E164 WeakPolarHBondContact O-CA 3.44Å; K161-E164 WeakPolarHBondContact O-CB 3.28Å; K161-E164 PolarHBondContact O-N 3.24Å; K161-E164 VanDerWaalsContact O-N 3.09Å; K161-Y165 HydrophobicContact CD-CE1 4.46Å; K161-Y165 PolarHBondContact O-N 2.48Å
162	A	97	Very high	94.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-45.9	175.3	0	0	0	0	0	111.3	L117 L139 C142 A143 L158 R159 E164 Y165 L166	L117-A162 HydrophobicContact CD1-CB 4.29Å; L117-A162 HydrophobicContact CD2-CB 4.14Å; L139-A162 HydrophobicContact CD1-CB 4.09Å; L139-A162 VanDerWaalsContact CD1-O 3.29Å; L139-A162 WeakPolarHBondContact CD1-O 3.46Å; C142-A162 HydrophobicContact CB-CB 4.06Å; A143-A162 HydrophobicContact CB-CB 3.89Å; L158-A162 WeakPolarHBondContact O-CB 3.32Å; L158-A162 PolarHBondContact O-N 2.67Å; R159-A162 PolarHBondContact O-N 3.3Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 3Å; A162-Y165 PolarHBondContact O-N 3.48Å; A162-L166 PolarHBondContact O-N 3.44Å; A162-L166 VanDerWaalsContact O-N 3.07Å
163	Y	96.9	Very high	94.8	Very high	20 Å²	20	48.6 Å²	48.6	8%	0.078	23%	0.228	C	C	.	.	H	α-helix	trans	-69.8	-27.4	175.5	-71.8	-56.7	0	0	0	113.9	A143 R144 R159 R160 K161 L166 F179 Q197 A200	A143-Y163 HydrophobicContact CB-CE1 4.11Å; A143-Y163 HydrophobicContact CB-CE2 4.42Å; R144-Y163 WeakPolarHBondContact CD-OH 3.5Å; R144-Y163 PolarHBondContact NH1-OH 3.14Å; R159-Y163 HydrophobicContact CG-CD2 3.84Å; R159-Y163 HydrophobicContact CG-CE2 3.47Å; R159-Y163 VanDerWaalsContact CG-CE2 3.47Å; R159-Y163 WeakPolarHBondContact O-CD2 3.07Å; R159-Y163 PolarHBondContact O-N 2.98Å; R159-Y163 VanDerWaalsContact O-N 3.12Å; R160-Y163 PolarHBondContact O-N 3.4Å; K161-Y163 VanDerWaalsContact C-N 3.34Å; K161-Y163 PolarHBondContact O-N 3.21Å; Y163-L166 WeakPolarHBondContact O-CB 3.33Å; Y163-F179 AromaticContact CE1-CZ 4Å; Y163-F179 HydrophobicContact CE1-CZ 4Å; Y163-Q197 HydrophobicContact CE1-CB 3.76Å; Y163-Q197 HydrophobicContact CE1-CG 4.09Å; Y163-A200 HydrophobicContact CD1-CB 3.67Å; Y163-A200 HydrophobicContact CG-CB 4.02Å
164	E	96.9	Very high	95.1	Very high	83 Å²	83	46.3 Å²	46.3	39%	0.388	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-38.4	171.3	-170.3	-173.5	129	0	0	111.4	R160 K161 A162 P167	R160-E164 IonicContact CZ-OE2 3.14Å; R160-E164 IonicContact NH1-OE2 3.81Å; R160-E164 PolarHBondContact NH1-OE2 3.04Å; R160-E164 PolarHBondContact O-N 3.19Å; K161-E164 WeakPolarHBondContact CD-OE2 3.18Å; K161-E164 VanDerWaalsContact NZ-CD 3.31Å; K161-E164 IonicContact NZ-OE1 3.33Å; K161-E164 PolarHBondContact NZ-OE1 3.45Å; K161-E164 IonicContact NZ-OE2 2.75Å; K161-E164 PolarHBondContact NZ-OE2 3.32Å; K161-E164 WeakPolarHBondContact O-CA 3.44Å; K161-E164 WeakPolarHBondContact O-CB 3.28Å; K161-E164 PolarHBondContact O-N 3.24Å; K161-E164 VanDerWaalsContact O-N 3.09Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-E164 PolarHBondContact O-N 3Å; E164-P167 WeakPolarHBondContact O-CD 3.5Å
165	Y	97.9	Very high	95.6	Very high	22 Å²	22	42.6 Å²	42.6	9%	0.086	19%	0.189	C	C	.	.	H	α-helix	trans	-81.2	-14	178.9	-69	0.9	0	0	0	113.5	L117 N118 L121 K161 A162 R168 I169	L117-Y165 HydrophobicContact CD1-CD2 3.81Å; L117-Y165 HydrophobicContact CD2-CD2 3.96Å; L117-Y165 HydrophobicContact CD2-CE2 4.11Å; L117-Y165 HydrophobicContact CG-CD2 3.59Å; L117-Y165 HydrophobicContact CG-CE2 3.8Å; N118-Y165 PolarHBondContact OD1-OH 2.71Å; L121-Y165 HydrophobicContact CB-CD2 3.79Å; L121-Y165 HydrophobicContact CB-CE2 3.95Å; L121-Y165 HydrophobicContact CD1-CD2 4.25Å; L121-Y165 HydrophobicContact CD1-CG 4.22Å; L121-Y165 HydrophobicContact CD2-CD1 3.99Å; L121-Y165 HydrophobicContact CD2-CD2 3.59Å; L121-Y165 HydrophobicContact CD2-CE1 3.77Å; L121-Y165 HydrophobicContact CD2-CE2 3.35Å; L121-Y165 HydrophobicContact CD2-CG 3.92Å; L121-Y165 VanDerWaalsContact CD2-CZ 3.45Å; L121-Y165 HydrophobicContact CG-CD2 4.08Å; L121-Y165 HydrophobicContact CG-CE2 4.21Å; L121-Y165 HydrophobicContact CG-CG 4.47Å; K161-Y165 HydrophobicContact CD-CE1 4.46Å; K161-Y165 PolarHBondContact O-N 2.48Å; A162-Y165 PolarHBondContact O-N 3.48Å; Y165-R168 WeakPolarHBondContact O-CA 3.32Å; Y165-R168 WeakPolarHBondContact O-CB 3.47Å; Y165-R168 PolarHBondContact O-N 3.34Å; Y165-I169 PolarHBondContact O-N 3.2Å
166	L	98	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-46.8	-55.2	179.8	-178.1	110.3	0	0	0	114	L139 A162 Y163 R168 I169 C170 L176 F179 A200 I201 W204	L139-L166 HydrophobicContact CD2-CD1 4.37Å; A162-L166 PolarHBondContact O-N 3.44Å; A162-L166 VanDerWaalsContact O-N 3.07Å; Y163-L166 WeakPolarHBondContact O-CB 3.33Å; L166-R168 PolarHBondContact O-N 2.9Å; L166-I169 PolarHBondContact O-N 3.25Å; L166-C170 WeakPolarHBondContact O-CA 3.4Å; L166-C170 WeakPolarHBondContact O-CB 3.42Å; L166-C170 PolarHBondContact O-N 3.15Å; L166-L176 HydrophobicContact CD2-CD1 4.39Å; L166-F179 HydrophobicContact CD1-CD1 3.45Å; L166-F179 VanDerWaalsContact CD1-CD1 3.45Å; L166-F179 HydrophobicContact CD1-CD2 4Å; L166-F179 HydrophobicContact CD1-CE1 3.26Å; L166-F179 HydrophobicContact CD1-CE2 3.82Å; L166-F179 HydrophobicContact CD1-CG 3.82Å; L166-F179 HydrophobicContact CD1-CZ 3.45Å; L166-F179 VanDerWaalsContact CD1-CZ 3.45Å; L166-A200 HydrophobicContact CD2-CB 4.19Å; L166-I201 HydrophobicContact CD2-CG1 4.42Å; L166-W204 HydrophobicContact CD2-CB 4.37Å
167	P	97.2	Very high	96.4	Very high	61 Å²	61	36.7 Å²	36.7	40%	0.396	16%	0.162	S	C	.	.	H	α-helix	trans	-66.2	-22.1	-179.8	26.8	-35.8	0	0	0	114.1	E164	E164-P167 WeakPolarHBondContact O-CD 3.5Å
168	R	97.2	Very high	96.5	Very high	99 Å²	99	34.7 Å²	34.7	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-79.9	-38.7	-179.6	-63.5	171.5	65.9	-176.6	2.1	112.1	L121 E125 Y165 L166 R171	L121-R168 HydrophobicContact CD1-CB 3.85Å; E125-R168 VanDerWaalsContact CD-NH2 3.27Å; E125-R168 WeakPolarHBondContact OE1-CB 3.37Å; E125-R168 IonicContact OE1-CZ 3.07Å; E125-R168 IonicContact OE1-NE 3.87Å; E125-R168 PolarHBondContact OE1-NE 2.94Å; E125-R168 IonicContact OE1-NH2 3.35Å; E125-R168 PolarHBondContact OE1-NH2 3.18Å; E125-R168 VanDerWaalsContact OE1-NH2 3.12Å; E125-R168 IonicContact OE2-CZ 3.29Å; E125-R168 IonicContact OE2-NE 4Å; E125-R168 IonicContact OE2-NH2 3.94Å; E125-R168 PolarHBondContact OE2-NH2 2.92Å; Y165-R168 WeakPolarHBondContact O-CA 3.32Å; Y165-R168 WeakPolarHBondContact O-CB 3.47Å; Y165-R168 PolarHBondContact O-N 3.34Å; L166-R168 PolarHBondContact O-N 2.9Å; R168-R171 WeakPolarHBondContact O-CG 3.19Å
169	I	97.3	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-84.4	-51.2	175.8	-64.5	165.6	0	0	0	110.3	T120 L121 A135 I136 L139 Y165 L166 R171 H175	T120-I169 HydrophobicContact CG2-CD1 4.08Å; L121-I169 HydrophobicContact CB-CD1 4.45Å; L121-I169 HydrophobicContact CD1-CD1 4.32Å; L121-I169 HydrophobicContact CD1-CG1 3.94Å; A135-I169 HydrophobicContact CB-CG2 4.43Å; I136-I169 HydrophobicContact CG1-CG2 4.28Å; L139-I169 HydrophobicContact CB-CD1 4.35Å; L139-I169 HydrophobicContact CD1-CD1 3.93Å; L139-I169 HydrophobicContact CD2-CB 4.09Å; L139-I169 HydrophobicContact CD2-CD1 4.14Å; L139-I169 HydrophobicContact CD2-CG2 4.12Å; L139-I169 HydrophobicContact CG-CD1 4.37Å; Y165-I169 PolarHBondContact O-N 3.2Å; L166-I169 PolarHBondContact O-N 3.25Å; I169-R171 VanDerWaalsContact C-N 3.27Å; I169-R171 PolarHBondContact O-N 3.45Å; I169-H175 PolarHBondContact O-ND1 3.48Å
170	C	97.5	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.			trans	-81.9	65.6	180	-61.2	0	0	0	0	111.9	L166 I172 H175 W204	L166-C170 WeakPolarHBondContact O-CA 3.4Å; L166-C170 WeakPolarHBondContact O-CB 3.42Å; L166-C170 PolarHBondContact O-N 3.15Å; C170-I172 PolarHBondContact O-N 3.21Å; C170-H175 HydrophobicContact CB-CB 3.89Å; C170-W204 PolarHBondContact O-NE1 3.45Å
171	R	94.8	Very high	96.5	Very high	84 Å²	84	26.9 Å²	26.9	32%	0.317	13%	0.126	S	C	.	.			trans	-66.6	-33	-172.7	-66.1	170.4	-79.2	-175.3	-8.9	114.6	S124 R168 I169 H175	S124-R171 PolarHBondContact O-NH2 2.96Å; R168-R171 WeakPolarHBondContact O-CG 3.19Å; I169-R171 VanDerWaalsContact C-N 3.27Å; I169-R171 PolarHBondContact O-N 3.45Å; R171-H175 PolarHBondContact N-ND1 2.87Å
172	I	95.5	Very high	96.2	Very high	43 Å²	43	27.4 Å²	27.4	22%	0.221	13%	0.128	C	C	.	.	S	Bend	trans	-124.2	162.6	-177.1	62.6	169.1	0	0	0	111.6	C170 T174 H175 L176 L216 Y220	C170-I172 PolarHBondContact O-N 3.21Å; I172-T174 VanDerWaalsContact C-N 3.29Å; I172-T174 PolarHBondContact O-N 3.5Å; I172-H175 WeakPolarHBondContact O-CB 3.47Å; I172-H175 PolarHBondContact O-N 3.29Å; I172-L176 PolarHBondContact O-N 3.28Å; I172-L216 HydrophobicContact CG2-CD2 4.42Å; I172-Y220 HydrophobicContact CB-CE2 4.22Å; I172-Y220 HydrophobicContact CD1-CE1 4.15Å; I172-Y220 HydrophobicContact CG2-CE2 4.36Å
173	P	97.5	Very high	95.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-54.8	-38	-179.7	-29.3	35.3	0	0	0	114.8	H175 L176 F177 W204 L216 Y220 H228	P173-H175 PolarHBondContact O-N 3.34Å; P173-L176 PolarHBondContact O-N 3.33Å; P173-L176 VanDerWaalsContact O-N 3.14Å; P173-F177 HydrophobicContact CB-CD2 4.39Å; P173-F177 HydrophobicContact CB-CE2 3.86Å; P173-F177 HydrophobicContact CB-CZ 3.96Å; P173-F177 WeakPolarHBondContact O-CB 3.3Å; P173-F177 WeakPolarHBondContact O-CD2 3.16Å; P173-F177 WeakPolarHBondContact O-CG 3.39Å; P173-F177 PolarHBondContact O-N 3.33Å; P173-W204 HydrophobicContact CG-CH2 3.91Å; P173-L216 HydrophobicContact CG-CB 3.87Å; P173-Y220 HydrophobicContact CB-CD2 4.46Å; P173-Y220 HydrophobicContact CB-CG 4.3Å; P173-Y220 HydrophobicContact CG-CD2 3.85Å; P173-Y220 HydrophobicContact CG-CG 4.15Å; P173-H228 VanDerWaalsContact CB-CE1 3.49Å; P173-H228 WeakPolarHBondContact CB-CE1 3.26Å; P173-H228 WeakPolarHBondContact CB-NE2 3.4Å; P173-H228 VanDerWaalsContact CG-CE1 3.43Å; P173-H228 WeakPolarHBondContact CG-CE1 3.18Å; P173-H228 WeakPolarHBondContact CG-NE2 3.12Å
174	T	96.2	Very high	95.4	Very high	32 Å²	32	31.2 Å²	31.2	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-53.4	-44.5	175.2	-48.7	0	0	0	0	111.6	I172 F177 E178 R223	I172-T174 VanDerWaalsContact C-N 3.29Å; I172-T174 PolarHBondContact O-N 3.5Å; T174-F177 PolarHBondContact O-N 3.2Å; T174-E178 WeakPolarHBondContact O-CB 3.38Å; T174-E178 PolarHBondContact O-N 3.47Å; T174-R223 HydrophobicContact CG2-CB 4.25Å; T174-R223 HydrophobicContact CG2-CG 4.15Å
175	H	97.4	Very high	94.9	Very high	23 Å²	23	34.4 Å²	34.4	11%	0.106	16%	0.159	C	C	.	.	H	α-helix	trans	-69.5	-41.4	180	-55.5	176.4	0	0	0	111.3	I136 I169 C170 R171 I172 P173 F177 E178 F179	I136-H175 HydrophobicContact CD1-CB 3.59Å; I136-H175 HydrophobicContact CG1-CB 4.29Å; I169-H175 PolarHBondContact O-ND1 3.48Å; C170-H175 HydrophobicContact CB-CB 3.89Å; R171-H175 PolarHBondContact N-ND1 2.87Å; I172-H175 WeakPolarHBondContact O-CB 3.47Å; I172-H175 PolarHBondContact O-N 3.29Å; P173-H175 PolarHBondContact O-N 3.34Å; H175-F177 VanDerWaalsContact C-N 3.35Å; H175-F177 PolarHBondContact O-N 3.41Å; H175-E178 PolarHBondContact O-N 3.24Å; H175-F179 WeakPolarHBondContact O-CB 3.49Å; H175-F179 PolarHBondContact O-N 3.29Å
176	L	97.8	Very high	94.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-43.9	177.1	179.3	67.1	0	0	0	111.4	L166 I172 P173 F179 V180 I201 W204 Y205 V231	L166-L176 HydrophobicContact CD2-CD1 4.39Å; I172-L176 PolarHBondContact O-N 3.28Å; P173-L176 PolarHBondContact O-N 3.33Å; P173-L176 VanDerWaalsContact O-N 3.14Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.26Å; L176-V180 VanDerWaalsContact O-CG2 3.29Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.22Å; L176-I201 HydrophobicContact CD1-CD1 4.41Å; L176-I201 HydrophobicContact CD1-CG1 4.12Å; L176-W204 HydrophobicContact CB-CZ2 4.42Å; L176-W204 HydrophobicContact CD1-CG 4.45Å; L176-W204 HydrophobicContact CD2-CD2 3.76Å; L176-W204 HydrophobicContact CD2-CE3 3.62Å; L176-W204 HydrophobicContact CD2-CG 4.34Å; L176-W204 HydrophobicContact CD2-CH2 4.31Å; L176-W204 HydrophobicContact CD2-CZ2 4.42Å; L176-W204 HydrophobicContact CD2-CZ3 3.92Å; L176-Y205 HydrophobicContact CD2-CE2 3.86Å; L176-V231 HydrophobicContact CD2-CG1 4.23Å
177	F	97.3	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-39.6	178.2	-65.3	-17.5	0	0	0	111.7	P173 T174 H175 V180 S181 R223 W226 H228 V231	P173-F177 HydrophobicContact CB-CD2 4.39Å; P173-F177 HydrophobicContact CB-CE2 3.86Å; P173-F177 HydrophobicContact CB-CZ 3.96Å; P173-F177 WeakPolarHBondContact O-CB 3.3Å; P173-F177 WeakPolarHBondContact O-CD2 3.16Å; P173-F177 WeakPolarHBondContact O-CG 3.39Å; P173-F177 PolarHBondContact O-N 3.33Å; T174-F177 PolarHBondContact O-N 3.2Å; H175-F177 VanDerWaalsContact C-N 3.35Å; H175-F177 PolarHBondContact O-N 3.41Å; F177-V180 PolarHBondContact O-N 3.02Å; F177-S181 WeakPolarHBondContact O-CB 3.44Å; F177-S181 PolarHBondContact O-N 3.47Å; F177-R223 HydrophobicContact CD2-CB 4Å; F177-W226 HydrophobicContact CB-CB 3.82Å; F177-W226 HydrophobicContact CB-CG 4.39Å; F177-W226 HydrophobicContact CD1-CB 3.92Å; F177-W226 HydrophobicContact CD2-CB 4.26Å; F177-W226 HydrophobicContact CG-CB 3.73Å; F177-H228 HydrophobicContact CZ-CB 4.48Å; F177-H228 AromaticContact CZ-CD2 3.85Å; F177-H228 AromaticContact CZ-CE1 3.72Å; F177-H228 AromaticContact CZ-CG 3.79Å; F177-H228 AromaticContact CZ-ND1 3.69Å; F177-H228 AromaticContact CZ-NE2 3.82Å; F177-V231 HydrophobicContact CD1-CG2 3.73Å; F177-V231 HydrophobicContact CE1-CB 4.4Å; F177-V231 HydrophobicContact CE1-CG2 3.64Å
178	E	95.8	Very high	91.7	Very high	34 Å²	34	38.4 Å²	38.4	16%	0.159	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-45.5	173	-167.7	171.6	178.3	0	0	111.8	G133 I136 T174 H175 V180 S181 Y182 L224	G133-E178 WeakPolarHBondContact CA-OE1 3.38Å; I136-E178 HydrophobicContact CD1-CB 4.28Å; I136-E178 HydrophobicContact CD1-CG 4.46Å; I136-E178 WeakPolarHBondContact CD1-OE2 3.35Å; I136-E178 HydrophobicContact CG2-CB 4.21Å; I136-E178 HydrophobicContact CG2-CG 4.22Å; T174-E178 WeakPolarHBondContact O-CB 3.38Å; T174-E178 PolarHBondContact O-N 3.47Å; H175-E178 PolarHBondContact O-N 3.24Å; E178-V180 VanDerWaalsContact C-N 3.35Å; E178-V180 PolarHBondContact O-N 3.14Å; E178-S181 WeakPolarHBondContact O-CB 3.45Å; E178-S181 PolarHBondContact O-N 3.02Å; E178-Y182 HydrophobicContact CG-CD2 4.15Å; E178-Y182 HydrophobicContact CG-CE2 3.49Å; E178-Y182 VanDerWaalsContact CG-CE2 3.49Å; E178-Y182 WeakPolarHBondContact O-CD2 3.36Å; E178-Y182 PolarHBondContact O-N 3.14Å; E178-Y182 PolarHBondContact OE1-OH 3.04Å; E178-L224 HydrophobicContact CB-CD1 3.5Å; E178-L224 VanDerWaalsContact CB-CD1 3.5Å; E178-L224 HydrophobicContact CG-CD1 3.81Å
179	F	95.6	Very high	90.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-46	174.8	172.1	-98.1	0	0	0	112.1	I136 L139 A140 A143 Y163 L166 H175 L176 S181 Y182 C183 Q197	I136-F179 VanDerWaalsContact CG2-CA 3.47Å; I136-F179 HydrophobicContact CG2-CB 3.65Å; L139-F179 HydrophobicContact CD2-CD2 3.97Å; L139-F179 HydrophobicContact CD2-CE2 4.17Å; L139-F179 HydrophobicContact CG-CD2 4.16Å; L139-F179 HydrophobicContact CG-CE2 4Å; A140-F179 HydrophobicContact CB-CD2 4.09Å; A140-F179 HydrophobicContact CB-CE2 4.16Å; A143-F179 HydrophobicContact CB-CE2 4.21Å; A143-F179 HydrophobicContact CB-CZ 4.21Å; Y163-F179 AromaticContact CE1-CZ 4Å; Y163-F179 HydrophobicContact CE1-CZ 4Å; L166-F179 HydrophobicContact CD1-CD1 3.45Å; L166-F179 VanDerWaalsContact CD1-CD1 3.45Å; L166-F179 HydrophobicContact CD1-CD2 4Å; L166-F179 HydrophobicContact CD1-CE1 3.26Å; L166-F179 HydrophobicContact CD1-CE2 3.82Å; L166-F179 HydrophobicContact CD1-CG 3.82Å; L166-F179 HydrophobicContact CD1-CZ 3.45Å; L166-F179 VanDerWaalsContact CD1-CZ 3.45Å; H175-F179 WeakPolarHBondContact O-CB 3.49Å; H175-F179 PolarHBondContact O-N 3.29Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.26Å; F179-S181 VanDerWaalsContact C-N 3.34Å; F179-Y182 PolarHBondContact O-N 3.14Å; F179-C183 VanDerWaalsContact CE1-SG 3.51Å; F179-C183 WeakPolarHBondContact CZ-SG 3.5Å; F179-C183 WeakPolarHBondContact O-CB 3.13Å; F179-C183 PolarHBondContact O-N 3.45Å; F179-C183 PolarHBondContact O-SG 3.07Å; F179-Q197 HydrophobicContact CE1-CG 4.47Å
180	V	93.9	Very high	89.1	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-42.8	178	172.9	0	0	0	0	110.5	L176 F177 E178 Y182 C183 E184 W193 I201 W226	L176-V180 VanDerWaalsContact O-CG2 3.29Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.22Å; F177-V180 PolarHBondContact O-N 3.02Å; E178-V180 VanDerWaalsContact C-N 3.35Å; E178-V180 PolarHBondContact O-N 3.14Å; V180-Y182 PolarHBondContact O-N 2.76Å; V180-C183 PolarHBondContact O-N 2.96Å; V180-E184 PolarHBondContact O-N 3.22Å; V180-W193 HydrophobicContact CG1-CH2 4.46Å; V180-W193 HydrophobicContact CG1-CZ2 3.67Å; V180-W193 HydrophobicContact CG2-CH2 4.26Å; V180-W193 HydrophobicContact CG2-CZ2 4.24Å; V180-I201 HydrophobicContact CG2-CD1 3.8Å; V180-W226 HydrophobicContact CG1-CD2 3.94Å; V180-W226 HydrophobicContact CG1-CE3 4Å; V180-W226 HydrophobicContact CG1-CH2 3.51Å; V180-W226 HydrophobicContact CG1-CZ2 3.41Å; V180-W226 VanDerWaalsContact CG1-CZ2 3.41Å; V180-W226 HydrophobicContact CG1-CZ3 3.81Å
181	S	92	Very high	87.5	Confident	20 Å²	20	46.1 Å²	46.1	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-45.3	175.5	-171.6	0	0	0	0	112.1	F177 E178 F179 E184 K185	F177-S181 WeakPolarHBondContact O-CB 3.44Å; F177-S181 PolarHBondContact O-N 3.47Å; E178-S181 WeakPolarHBondContact O-CB 3.45Å; E178-S181 PolarHBondContact O-N 3.02Å; F179-S181 VanDerWaalsContact C-N 3.34Å; S181-E184 PolarHBondContact O-N 3.16Å; S181-K185 WeakPolarHBondContact O-CG 3.43Å; S181-K185 PolarHBondContact O-N 3.37Å; S181-K185 VanDerWaalsContact O-N 3.12Å
182	Y	91.3	Very high	86.4	Confident	51 Å²	51	42.1 Å²	42.1	20%	0.2	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-43.2	174.6	-68.1	-42.8	0	0	0	112.3	I136 Y137 A140 E178 F179 V180 E184 K185 M186	I136-Y182 HydrophobicContact CB-CE2 4.31Å; I136-Y182 HydrophobicContact CG2-CD2 3.95Å; I136-Y182 HydrophobicContact CG2-CE2 4.07Å; Y137-Y182 AromaticContact CD2-CD1 3.74Å; Y137-Y182 HydrophobicContact CD2-CD1 3.74Å; Y137-Y182 HydrophobicContact CD2-CD2 4.18Å; Y137-Y182 AromaticContact CD2-CE1 3.83Å; Y137-Y182 HydrophobicContact CD2-CE1 3.83Å; Y137-Y182 HydrophobicContact CD2-CE2 4.27Å; Y137-Y182 AromaticContact CD2-CG 3.96Å; Y137-Y182 HydrophobicContact CD2-CG 3.96Å; Y137-Y182 HydrophobicContact CE2-CD1 4.34Å; A140-Y182 HydrophobicContact CB-CD2 4.47Å; A140-Y182 HydrophobicContact CB-CG 4.46Å; E178-Y182 HydrophobicContact CG-CD2 4.15Å; E178-Y182 HydrophobicContact CG-CE2 3.49Å; E178-Y182 VanDerWaalsContact CG-CE2 3.49Å; E178-Y182 WeakPolarHBondContact O-CD2 3.36Å; E178-Y182 PolarHBondContact O-N 3.14Å; E178-Y182 PolarHBondContact OE1-OH 3.04Å; F179-Y182 PolarHBondContact O-N 3.14Å; V180-Y182 PolarHBondContact O-N 2.76Å; Y182-E184 VanDerWaalsContact C-N 3.29Å; Y182-E184 PolarHBondContact O-N 3.45Å; Y182-K185 PolarHBondContact O-N 3.14Å; Y182-M186 WeakPolarHBondContact O-CB 3.5Å; Y182-M186 VanDerWaalsContact O-CG 3.22Å; Y182-M186 WeakPolarHBondContact O-CG 3.49Å; Y182-M186 PolarHBondContact O-N 3.16Å
183	C	90	Very high	85.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-36.6	178.7	-72.2	0	0	0	0	113.2	R144 F179 V180	R144-C183 HydrophobicContact CG-CB 4.05Å; R144-C183 VanDerWaalsContact CG-SG 3.55Å; F179-C183 VanDerWaalsContact CE1-SG 3.51Å; F179-C183 WeakPolarHBondContact CZ-SG 3.5Å; F179-C183 WeakPolarHBondContact O-CB 3.13Å; F179-C183 PolarHBondContact O-N 3.45Å; F179-C183 PolarHBondContact O-SG 3.07Å; V180-C183 PolarHBondContact O-N 2.96Å
184	E	86.4	Confident	85.4	Confident	100 Å²	100	42.2 Å²	42.2	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-66.7	-48.8	175.1	-173.3	177.8	-157	0	0	110.8	V180 S181 Y182 M186 N187 W226	V180-E184 PolarHBondContact O-N 3.22Å; S181-E184 PolarHBondContact O-N 3.16Å; Y182-E184 VanDerWaalsContact C-N 3.29Å; Y182-E184 PolarHBondContact O-N 3.45Å; E184-M186 VanDerWaalsContact C-N 3.32Å; E184-M186 PolarHBondContact O-N 3.34Å; E184-N187 PolarHBondContact O-N 2.88Å; E184-W226 VanDerWaalsContact OE2-CZ2 3.3Å; E184-W226 WeakPolarHBondContact OE2-CZ2 3.44Å
185	K	85.4	Confident	85.1	Confident	150 Å²	150	50.6 Å²	50.6	65%	0.652	28%	0.283	S	S	*	.	H	α-helix	trans	-61.2	-37.1	178.7	-70.3	175.4	-177.5	-179.8	0	113.2	S181 Y182 N187	S181-K185 WeakPolarHBondContact O-CG 3.43Å; S181-K185 PolarHBondContact O-N 3.37Å; S181-K185 VanDerWaalsContact O-N 3.12Å; Y182-K185 PolarHBondContact O-N 3.14Å; K185-N187 VanDerWaalsContact C-N 3.25Å; K185-N187 PolarHBondContact O-N 3.46Å
186	M	84.6	Confident	84.8	Confident	37 Å²	37	51.9 Å²	51.9	18%	0.182	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.4	-178.4	-70.8	172.8	-176.5	0	0	114.2	Y137 A140 L141 R144 Y182 E184 P188	Y137-M186 HydrophobicContact CD2-CE 3.62Å; Y137-M186 HydrophobicContact CE2-CE 3.28Å; Y137-M186 HydrophobicContact CG-CE 4.46Å; A140-M186 HydrophobicContact CB-CE 3.8Å; A140-M186 HydrophobicContact CB-SD 3.8Å; L141-M186 HydrophobicContact CD2-CE 3.52Å; L141-M186 HydrophobicContact CD2-SD 3.98Å; L141-M186 HydrophobicContact CG-CE 3.67Å; L141-M186 HydrophobicContact CG-SD 4.43Å; R144-M186 HydrophobicContact CB-CB 4.35Å; R144-M186 HydrophobicContact CB-SD 4.29Å; Y182-M186 WeakPolarHBondContact O-CB 3.5Å; Y182-M186 VanDerWaalsContact O-CG 3.22Å; Y182-M186 WeakPolarHBondContact O-CG 3.49Å; Y182-M186 PolarHBondContact O-N 3.16Å; E184-M186 VanDerWaalsContact C-N 3.32Å; E184-M186 PolarHBondContact O-N 3.34Å; M186-P188 VanDerWaalsContact C-CD 3.49Å
187	N	76.1	Confident	84.6	Confident	22 Å²	22	52 Å²	52	12%	0.118	30%	0.295	C	S	.	.	S	Bend	trans	-130.5	65.1	-177.3	-153.3	22.7	0	0	0	112.8	R144 K148 E184 K185 G189 S190	R144-N187 PolarHBondContact NH2-ND2 2.98Å; K148-N187 PolarHBondContact NZ-OD1 3.28Å; E184-N187 PolarHBondContact O-N 2.88Å; K185-N187 VanDerWaalsContact C-N 3.25Å; K185-N187 PolarHBondContact O-N 3.46Å; N187-G189 PolarHBondContact O-N 3.5Å; N187-S190 WeakPolarHBondContact ND2-CB 3.45Å; N187-S190 PolarHBondContact O-N 3.34Å
188	P	67.1	Low	84.5	Confident	109 Å²	109	56.2 Å²	56.2	71%	0.708	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	130.3	176.8	24.7	-33.4	0	0	0	110.3	M186	M186-P188 VanDerWaalsContact C-CD 3.49Å
189	G	68	Low	84.5	Confident	94 Å²	94	61 Å²	61	97%	0.969	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	-0.3	179.6	0	0	0	0	0	115.9	N187	N187-G189 PolarHBondContact O-N 3.5Å
190	S	70.3	Confident	84.6	Confident	64 Å²	64	61.6 Å²	61.6	45%	0.448	34%	0.337	S	S	.	.	S	Bend	trans	-133.1	152.5	172	177	0	0	0	0	109.3	N187 G192	N187-S190 WeakPolarHBondContact ND2-CB 3.45Å; N187-S190 PolarHBondContact O-N 3.34Å; S190-G192 PolarHBondContact O-N 2.86Å; S190-G192 PolarHBondContact OG-N 3.31Å
191	T	65.4	Low	84.7	Confident	102 Å²	102	61.6 Å²	61.6	63%	0.626	34%	0.337	S	S	*	.			trans	-62.2	-10.6	174.2	60.3	0	0	0	0	112.8	W193	T191-W193 PolarHBondContact O-N 3.29Å
192	G	70.6	Confident	85	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.01	34%	0.344	C	S	.	.	S	Bend	trans	82.3	-24	-175.7	0	0	0	0	0	113	R144 S190 G194 Q197	R144-G192 VanDerWaalsContact CZ-O 3.23Å; R144-G192 PolarHBondContact NH1-O 3.49Å; R144-G192 PolarHBondContact NH2-O 2.88Å; S190-G192 PolarHBondContact O-N 2.86Å; S190-G192 PolarHBondContact OG-N 3.31Å; G192-G194 PolarHBondContact O-N 3.39Å; G192-Q197 PolarHBondContact O-OE1 3.18Å
193	W	85.5	Confident	85.3	Confident	14 Å²	14	65.3 Å²	65.3	5%	0.053	35%	0.353	C	S	.	.			trans	-79.9	64.2	-169.8	-70.5	91.7	0	0	0	115.3	V180 T191 Q197 R198 I201 W226 V231 L234 A235	V180-W193 HydrophobicContact CG1-CH2 4.46Å; V180-W193 HydrophobicContact CG1-CZ2 3.67Å; V180-W193 HydrophobicContact CG2-CH2 4.26Å; V180-W193 HydrophobicContact CG2-CZ2 4.24Å; T191-W193 PolarHBondContact O-N 3.29Å; W193-Q197 HydrophobicContact CE3-CG 4.45Å; W193-R198 HydrophobicContact CB-CG 4.27Å; W193-R198 HydrophobicContact CE3-CG 3.9Å; W193-R198 PolarHBondContact O-NH1 3.3Å; W193-I201 HydrophobicContact CE3-CD1 4.35Å; W193-I201 HydrophobicContact CH2-CD1 3.6Å; W193-I201 HydrophobicContact CH2-CG2 4.48Å; W193-I201 HydrophobicContact CZ3-CB 4.38Å; W193-I201 HydrophobicContact CZ3-CD1 3.46Å; W193-I201 VanDerWaalsContact CZ3-CD1 3.46Å; W193-I201 HydrophobicContact CZ3-CG1 4.46Å; W193-I201 HydrophobicContact CZ3-CG2 4.32Å; W193-W226 HydrophobicContact CZ2-CZ3 4.39Å; W193-V231 HydrophobicContact CH2-CG1 4.04Å; W193-L234 HydrophobicContact CD2-CB 3.54Å; W193-L234 HydrophobicContact CD2-CD1 4.44Å; W193-L234 HydrophobicContact CD2-CG 4.5Å; W193-L234 HydrophobicContact CE3-CB 3.9Å; W193-L234 HydrophobicContact CG-CB 4.03Å; W193-L234 HydrophobicContact CH2-CB 3.84Å; W193-L234 HydrophobicContact CZ2-CB 3.54Å; W193-L234 HydrophobicContact CZ2-CD1 3.64Å; W193-L234 HydrophobicContact CZ2-CG 4.21Å; W193-L234 HydrophobicContact CZ3-CB 4.01Å; W193-L234 VanDerWaalsContact NE1-CD1 3.27Å; W193-A235 HydrophobicContact CH2-CB 4.45Å; W193-A235 HydrophobicContact CZ3-CB 3.8Å
194	G	86.1	Confident	85.6	Confident	30 Å²	30	65.5 Å²	65.5	31%	0.309	35%	0.353	S	S	.	.			trans	-64.6	166.7	173.9	0	0	0	0	0	114	G192 S196 Q197 R198	G192-G194 PolarHBondContact O-N 3.39Å; G194-S196 VanDerWaalsContact C-N 3.3Å; G194-S196 PolarHBondContact O-N 2.98Å; G194-Q197 PolarHBondContact O-N 2.87Å; G194-R198 PolarHBondContact O-N 2.94Å
195	R	90.6	Very high	86.2	Confident	208 Å²	208	60.7 Å²	60.7	79%	0.785	33%	0.331	S	S	*	.	H	α-helix	trans	-55.1	-43	-178.7	-173.7	-176.5	-72.3	-179.3	-1.4	112.3	K199	R195-K199 WeakPolarHBondContact O-CB 3.18Å; R195-K199 PolarHBondContact O-N 3.35Å
196	S	91.8	Very high	86.8	Confident	51 Å²	51	54.7 Å²	54.7	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-45.7	-179.6	-50	0	0	0	0	112.4	G194 K199 A200	G194-S196 VanDerWaalsContact C-N 3.3Å; G194-S196 PolarHBondContact O-N 2.98Å; S196-K199 PolarHBondContact O-N 3.4Å; S196-A200 WeakPolarHBondContact O-CB 3.29Å; S196-A200 PolarHBondContact O-N 3.24Å
197	Q	93.3	Very high	87.4	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-46.9	176.7	-175.8	173	-3.6	0	0	111.7	R144 Y163 F179 G192 W193 G194 K199 A200 I201	R144-Q197 VanDerWaalsContact NH1-OE1 3.12Å; Y163-Q197 HydrophobicContact CE1-CB 3.76Å; Y163-Q197 HydrophobicContact CE1-CG 4.09Å; F179-Q197 HydrophobicContact CE1-CG 4.47Å; G192-Q197 PolarHBondContact O-OE1 3.18Å; W193-Q197 HydrophobicContact CE3-CG 4.45Å; G194-Q197 PolarHBondContact O-N 2.87Å; Q197-K199 VanDerWaalsContact C-N 3.29Å; Q197-K199 PolarHBondContact O-N 3.14Å; Q197-A200 PolarHBondContact O-N 3.27Å; Q197-I201 HydrophobicContact CG-CD1 3.76Å; Q197-I201 HydrophobicContact CG-CG1 4.39Å; Q197-I201 WeakPolarHBondContact O-CB 3.36Å; Q197-I201 WeakPolarHBondContact O-CG1 3.42Å; Q197-I201 PolarHBondContact O-N 3.47Å
198	R	95.2	Very high	88.3	Confident	90 Å²	90	58.7 Å²	58.7	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-56.5	-45.8	174.5	-70.2	-169.1	-52.6	-109.2	9.9	110.6	W193 G194 K202 L234	W193-R198 HydrophobicContact CB-CG 4.27Å; W193-R198 HydrophobicContact CE3-CG 3.9Å; W193-R198 PolarHBondContact O-NH1 3.3Å; G194-R198 PolarHBondContact O-N 2.94Å; R198-K202 WeakPolarHBondContact O-CB 3.5Å; R198-K202 WeakPolarHBondContact O-CG 3.28Å; R198-K202 PolarHBondContact O-N 3.47Å; R198-L234 WeakPolarHBondContact CD-O 3.49Å
199	K	95.9	Very high	89.7	Confident	134 Å²	134	60.2 Å²	60.2	58%	0.583	32%	0.324	S	S	*	.	H	α-helix	trans	-60.7	-48.5	178.5	-172.3	-177.3	177.7	-173.5	0	111.9	R195 S196 Q197 K202 H203	R195-K199 WeakPolarHBondContact O-CB 3.18Å; R195-K199 PolarHBondContact O-N 3.35Å; S196-K199 PolarHBondContact O-N 3.4Å; Q197-K199 VanDerWaalsContact C-N 3.29Å; Q197-K199 PolarHBondContact O-N 3.14Å; K199-K202 WeakPolarHBondContact O-CB 3.2Å; K199-K202 PolarHBondContact O-N 3.1Å; K199-H203 PolarHBondContact O-CD2 3.16Å; K199-H203 VanDerWaalsContact O-CD2 3.26Å; K199-H203 PolarHBondContact O-N 2.86Å; K199-H203 VanDerWaalsContact O-N 3.16Å
200	A	96.8	Very high	91.1	Very high	14 Å²	14	56.5 Å²	56.5	12%	0.116	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-44.6	-179.2	0	0	0	0	0	112.1	Y163 L166 S196 Q197 H203 W204	Y163-A200 HydrophobicContact CD1-CB 3.67Å; Y163-A200 HydrophobicContact CG-CB 4.02Å; L166-A200 HydrophobicContact CD2-CB 4.19Å; S196-A200 WeakPolarHBondContact O-CB 3.29Å; S196-A200 PolarHBondContact O-N 3.24Å; Q197-A200 PolarHBondContact O-N 3.27Å; A200-H203 PolarHBondContact O-N 2.95Å; A200-W204 PolarHBondContact O-N 3.45Å
201	I	97.3	Very high	92.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.9	-35.8	178.9	-65.1	178.7	0	0	0	111.2	L166 L176 V180 W193 Q197 H203 W204 Y205 V231 A235	L166-I201 HydrophobicContact CD2-CG1 4.42Å; L176-I201 HydrophobicContact CD1-CD1 4.41Å; L176-I201 HydrophobicContact CD1-CG1 4.12Å; V180-I201 HydrophobicContact CG2-CD1 3.8Å; W193-I201 HydrophobicContact CE3-CD1 4.35Å; W193-I201 HydrophobicContact CH2-CD1 3.6Å; W193-I201 HydrophobicContact CH2-CG2 4.48Å; W193-I201 HydrophobicContact CZ3-CB 4.38Å; W193-I201 HydrophobicContact CZ3-CD1 3.46Å; W193-I201 VanDerWaalsContact CZ3-CD1 3.46Å; W193-I201 HydrophobicContact CZ3-CG1 4.46Å; W193-I201 HydrophobicContact CZ3-CG2 4.32Å; Q197-I201 HydrophobicContact CG-CD1 3.76Å; Q197-I201 HydrophobicContact CG-CG1 4.39Å; Q197-I201 WeakPolarHBondContact O-CB 3.36Å; Q197-I201 WeakPolarHBondContact O-CG1 3.42Å; Q197-I201 PolarHBondContact O-N 3.47Å; I201-H203 VanDerWaalsContact C-N 3.34Å; I201-H203 PolarHBondContact O-N 2.85Å; I201-W204 WeakPolarHBondContact O-CB 3.28Å; I201-W204 PolarHBondContact O-N 3.29Å; I201-Y205 HydrophobicContact CG2-CD2 4.15Å; I201-Y205 HydrophobicContact CG2-CE2 3.94Å; I201-Y205 WeakPolarHBondContact O-CD2 3.44Å; I201-Y205 PolarHBondContact O-N 3.17Å; I201-V231 HydrophobicContact CG2-CG1 3.61Å; I201-A235 HydrophobicContact CB-CB 4.25Å; I201-A235 HydrophobicContact CG2-CB 3.74Å
202	K	97.2	Very high	93.9	Very high	65 Å²	65	55.6 Å²	55.6	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-56.1	-49.5	172	-75.1	176.5	-170.4	-159.1	0	111.6	R198 K199 W204 Y205 L206 A235 H236 P237	R198-K202 WeakPolarHBondContact O-CB 3.5Å; R198-K202 WeakPolarHBondContact O-CG 3.28Å; R198-K202 PolarHBondContact O-N 3.47Å; K199-K202 WeakPolarHBondContact O-CB 3.2Å; K199-K202 PolarHBondContact O-N 3.1Å; K202-W204 VanDerWaalsContact C-N 3.31Å; K202-W204 PolarHBondContact O-N 2.92Å; K202-Y205 PolarHBondContact O-N 3.44Å; K202-L206 WeakPolarHBondContact O-CB 3.21Å; K202-L206 WeakPolarHBondContact O-CG 3.43Å; K202-L206 PolarHBondContact O-N 3.4Å; K202-A235 WeakPolarHBondContact CE-O 3.37Å; K202-H236 WeakPolarHBondContact CE-O 3.41Å; K202-H236 PolarHBondContact NZ-O 3.41Å; K202-P237 HydrophobicContact CB-CB 4.41Å; K202-P237 HydrophobicContact CG-CB 4.04Å
203	H	96.8	Very high	95.2	Very high	85 Å²	85	55.5 Å²	55.5	39%	0.394	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-40	177.5	-81.1	-60.8	0	0	0	111.8	K199 A200 I201 Y205 L206 D207	K199-H203 PolarHBondContact O-CD2 3.16Å; K199-H203 VanDerWaalsContact O-CD2 3.26Å; K199-H203 PolarHBondContact O-N 2.86Å; K199-H203 VanDerWaalsContact O-N 3.16Å; A200-H203 PolarHBondContact O-N 2.95Å; I201-H203 VanDerWaalsContact C-N 3.34Å; I201-H203 PolarHBondContact O-N 2.85Å; H203-Y205 PolarHBondContact O-N 3.09Å; H203-Y205 VanDerWaalsContact O-N 3.12Å; H203-L206 PolarHBondContact O-N 2.93Å; H203-D207 VanDerWaalsContact CB-OD2 3.31Å; H203-D207 WeakPolarHBondContact CB-OD2 3.17Å; H203-D207 IonicContact CG-OD1 3.97Å; H203-D207 IonicContact CG-OD2 3.4Å; H203-D207 IonicContact ND1-OD1 2.6Å; H203-D207 PolarHBondContact ND1-OD1 3.01Å; H203-D207 IonicContact ND1-OD2 2.85Å; H203-D207 PolarHBondContact ND1-OD2 3.22Å; H203-D207 WeakPolarHBondContact O-CB 3.24Å; H203-D207 PolarHBondContact O-N 2.8Å
204	W	98	Very high	95.8	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-52.8	-38	175.5	-168.6	96.2	0	0	0	113.6	L166 C170 P173 L176 A200 I201 K202 K208 L216	L166-W204 HydrophobicContact CD2-CB 4.37Å; C170-W204 PolarHBondContact O-NE1 3.45Å; P173-W204 HydrophobicContact CG-CH2 3.91Å; L176-W204 HydrophobicContact CB-CZ2 4.42Å; L176-W204 HydrophobicContact CD1-CG 4.45Å; L176-W204 HydrophobicContact CD2-CD2 3.76Å; L176-W204 HydrophobicContact CD2-CE3 3.62Å; L176-W204 HydrophobicContact CD2-CG 4.34Å; L176-W204 HydrophobicContact CD2-CH2 4.31Å; L176-W204 HydrophobicContact CD2-CZ2 4.42Å; L176-W204 HydrophobicContact CD2-CZ3 3.92Å; A200-W204 PolarHBondContact O-N 3.45Å; I201-W204 WeakPolarHBondContact O-CB 3.28Å; I201-W204 PolarHBondContact O-N 3.29Å; K202-W204 VanDerWaalsContact C-N 3.31Å; K202-W204 PolarHBondContact O-N 2.92Å; W204-K208 VanDerWaalsContact CH2-CE 3.41Å; W204-K208 VanDerWaalsContact CZ2-CE 3.42Å; W204-K208 HydrophobicContact CZ3-CD 4.44Å; W204-K208 WeakPolarHBondContact O-CE 3.26Å; W204-K208 WeakPolarHBondContact O-CG 3.47Å; W204-L216 HydrophobicContact CH2-CD1 4.02Å
205	Y	98.3	Very high	96.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-83.6	-49.2	175.7	-76.6	-83.1	0	0	0	113.2	L176 I201 K202 H203 L213 H228 V231 L232 F250	L176-Y205 HydrophobicContact CD2-CE2 3.86Å; I201-Y205 HydrophobicContact CG2-CD2 4.15Å; I201-Y205 HydrophobicContact CG2-CE2 3.94Å; I201-Y205 WeakPolarHBondContact O-CD2 3.44Å; I201-Y205 PolarHBondContact O-N 3.17Å; K202-Y205 PolarHBondContact O-N 3.44Å; H203-Y205 PolarHBondContact O-N 3.09Å; H203-Y205 VanDerWaalsContact O-N 3.12Å; Y205-L213 HydrophobicContact CD1-CD1 3.71Å; Y205-L213 HydrophobicContact CE1-CD1 4.29Å; Y205-H228 AromaticContact CE1-ND1 3.42Å; Y205-H228 WeakPolarHBondContact CE1-ND1 3.41Å; Y205-H228 AromaticContact CZ-ND1 3.58Å; Y205-H228 PolarHBondContact OH-ND1 3.38Å; Y205-V231 HydrophobicContact CE2-CG1 3.59Å; Y205-L232 HydrophobicContact CD1-CD2 4.04Å; Y205-L232 HydrophobicContact CD2-CD2 4.14Å; Y205-L232 HydrophobicContact CE1-CD2 4.1Å; Y205-L232 HydrophobicContact CE2-CD2 4.21Å; Y205-L232 HydrophobicContact CG-CD2 4.08Å; Y205-F250 HydrophobicContact CD1-CE1 4.07Å; Y205-F250 HydrophobicContact CG-CE1 4.4Å; Y205-F250 HydrophobicContact CG-CZ 4.48Å
206	L	97.6	Very high	96.6	Very high	23 Å²	23	46 Å²	46	12%	0.12	22%	0.219	C	C	.	.	H	α-helix	trans	-76.5	-23.5	-168.8	-67.3	178.2	0	0	0	113.4	K202 H203 K208 P237 P239 Q243 H246 F250	K202-L206 WeakPolarHBondContact O-CB 3.21Å; K202-L206 WeakPolarHBondContact O-CG 3.43Å; K202-L206 PolarHBondContact O-N 3.4Å; H203-L206 PolarHBondContact O-N 2.93Å; L206-K208 VanDerWaalsContact C-N 3.32Å; L206-P237 HydrophobicContact CD1-CB 4.06Å; L206-P237 HydrophobicContact CD2-CB 4.36Å; L206-P237 HydrophobicContact CG-CB 4.12Å; L206-P239 HydrophobicContact CD2-CB 4.25Å; L206-P239 HydrophobicContact CD2-CG 3.96Å; L206-Q243 PolarHBondContact O-NE2 2.88Å; L206-H246 HydrophobicContact CD2-CB 4.42Å; L206-H246 PolarHBondContact O-NE2 3Å; L206-F250 HydrophobicContact CD2-CE2 4.04Å; L206-F250 HydrophobicContact CD2-CZ 4.02Å
207	D	96.8	Very high	96.9	Very high	110 Å²	110	43.8 Å²	43.8	59%	0.588	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.8	-179.2	-56.5	-6.1	0	0	0	112.1	H203	H203-D207 VanDerWaalsContact CB-OD2 3.31Å; H203-D207 WeakPolarHBondContact CB-OD2 3.17Å; H203-D207 IonicContact CG-OD1 3.97Å; H203-D207 IonicContact CG-OD2 3.4Å; H203-D207 IonicContact ND1-OD1 2.6Å; H203-D207 PolarHBondContact ND1-OD1 3.01Å; H203-D207 IonicContact ND1-OD2 2.85Å; H203-D207 PolarHBondContact ND1-OD2 3.22Å; H203-D207 WeakPolarHBondContact O-CB 3.24Å; H203-D207 PolarHBondContact O-N 2.8Å
208	K	96.7	Very high	97.1	Very high	33 Å²	33	44 Å²	44	14%	0.143	20%	0.204	C	C	.	.	S	Bend	trans	-85.8	142.3	174.8	-66.4	-172.2	-167.6	-48.6	0	111	W204 L206 L213 L216 H246	W204-K208 VanDerWaalsContact CH2-CE 3.41Å; W204-K208 VanDerWaalsContact CZ2-CE 3.42Å; W204-K208 HydrophobicContact CZ3-CD 4.44Å; W204-K208 WeakPolarHBondContact O-CE 3.26Å; W204-K208 WeakPolarHBondContact O-CG 3.47Å; L206-K208 VanDerWaalsContact C-N 3.32Å; K208-L213 HydrophobicContact CB-CB 4.22Å; K208-L216 HydrophobicContact CD-CD1 3.52Å; K208-H246 PolarHBondContact O-CE1 3.36Å; K208-H246 PolarHBondContact O-NE2 3.5Å
209	E	96.5	Very high	97.1	Very high	141 Å²	141	40.9 Å²	40.9	66%	0.659	19%	0.194	S	C	*	.			trans	-56.1	137.6	168.6	-68.4	-55.1	138.1	0	0	111.7	R211 N212 L213	E209-R211 VanDerWaalsContact C-N 3.32Å; E209-R211 PolarHBondContact O-N 2.74Å; E209-N212 HydrophobicContact CB-CB 4.43Å; E209-N212 WeakPolarHBondContact O-CB 3.5Å; E209-N212 PolarHBondContact O-N 2.91Å; E209-L213 PolarHBondContact O-N 3.43Å
210	P	97.1	Very high	97.1	Very high	17 Å²	17	36 Å²	36	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-51.5	-45.2	-175.7	-30.3	35.8	0	0	0	114.1	N212 L213 A214 E245 I249 A287	P210-N212 VanDerWaalsContact C-N 3.33Å; P210-N212 PolarHBondContact O-N 3.37Å; P210-L213 PolarHBondContact O-N 3.24Å; P210-A214 WeakPolarHBondContact O-CB 3.19Å; P210-A214 PolarHBondContact O-N 3.03Å; P210-E245 HydrophobicContact CB-CB 3.73Å; P210-E245 WeakPolarHBondContact CB-OE2 3.33Å; P210-E245 HydrophobicContact CG-CB 4.01Å; P210-E245 WeakPolarHBondContact CG-OE2 3.37Å; P210-I249 HydrophobicContact CB-CD1 4.24Å; P210-I249 WeakPolarHBondContact O-CD1 3.39Å; P210-A287 HydrophobicContact CB-CB 4.04Å
211	R	96.4	Very high	97	Very high	70 Å²	70	38.5 Å²	38.5	26%	0.264	19%	0.185	S	C	.	.	H	α-helix	trans	-62.8	-37.5	178.7	176	56.6	177.2	77.2	-2.7	113	E209 Y215 E286	E209-R211 VanDerWaalsContact C-N 3.32Å; E209-R211 PolarHBondContact O-N 2.74Å; R211-Y215 PolarHBondContact O-N 3.37Å; R211-E286 HydrophobicContact CB-CB 4.33Å; R211-E286 WeakPolarHBondContact CD-O 3.44Å; R211-E286 HydrophobicContact CG-CB 4.11Å
212	N	96.7	Very high	96.9	Very high	76 Å²	76	42.9 Å²	42.9	41%	0.406	21%	0.209	S	C	.	.	H	α-helix	trans	-72.3	-43.1	176.5	-175.6	28.2	0	0	0	110.6	E209 P210 A214 Y215 L216	E209-N212 HydrophobicContact CB-CB 4.43Å; E209-N212 WeakPolarHBondContact O-CB 3.5Å; E209-N212 PolarHBondContact O-N 2.91Å; P210-N212 VanDerWaalsContact C-N 3.33Å; P210-N212 PolarHBondContact O-N 3.37Å; N212-A214 VanDerWaalsContact C-N 3.35Å; N212-A214 PolarHBondContact O-N 3.17Å; N212-Y215 WeakPolarHBondContact O-CB 3.36Å; N212-Y215 PolarHBondContact O-N 2.94Å; N212-L216 WeakPolarHBondContact O-CG 3.33Å; N212-L216 PolarHBondContact O-N 2.94Å
213	L	97.9	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-44.1	176.4	178.8	60.6	0	0	0	111.5	Y205 K208 E209 P210 Y215 L216 V217 I249 F250	Y205-L213 HydrophobicContact CD1-CD1 3.71Å; Y205-L213 HydrophobicContact CE1-CD1 4.29Å; K208-L213 HydrophobicContact CB-CB 4.22Å; E209-L213 PolarHBondContact O-N 3.43Å; P210-L213 PolarHBondContact O-N 3.24Å; L213-Y215 VanDerWaalsContact C-N 3.3Å; L213-Y215 PolarHBondContact O-N 3.23Å; L213-L216 PolarHBondContact O-N 3.25Å; L213-L216 VanDerWaalsContact O-N 3.16Å; L213-V217 HydrophobicContact CD1-CG1 3.94Å; L213-V217 HydrophobicContact CG-CG1 4.43Å; L213-V217 WeakPolarHBondContact O-CG1 3.27Å; L213-V217 PolarHBondContact O-N 2.93Å; L213-I249 HydrophobicContact CB-CD1 4.23Å; L213-I249 HydrophobicContact CD2-CD1 4.21Å; L213-I249 HydrophobicContact CD2-CG2 4.26Å; L213-I249 HydrophobicContact CG-CD1 4.27Å; L213-I249 HydrophobicContact CG-CG2 4.07Å; L213-F250 HydrophobicContact CD2-CE1 4.04Å
214	A	97.9	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.1	-46.6	174.5	0	0	0	0	0	111.2	P210 N212 L216 V217 T218 I249 A287 L290 L291	P210-A214 WeakPolarHBondContact O-CB 3.19Å; P210-A214 PolarHBondContact O-N 3.03Å; N212-A214 VanDerWaalsContact C-N 3.35Å; N212-A214 PolarHBondContact O-N 3.17Å; A214-L216 PolarHBondContact O-N 2.93Å; A214-V217 WeakPolarHBondContact O-CG2 3.36Å; A214-V217 PolarHBondContact O-N 2.83Å; A214-T218 WeakPolarHBondContact O-CG2 3.33Å; A214-T218 PolarHBondContact O-N 2.98Å; A214-T218 VanDerWaalsContact O-N 3.14Å; A214-T218 PolarHBondContact O-OG1 2.91Å; A214-I249 HydrophobicContact CB-CD1 4.05Å; A214-I249 HydrophobicContact CB-CG1 4.2Å; A214-A287 HydrophobicContact CB-CB 4.08Å; A214-L290 HydrophobicContact CB-CD2 3.92Å; A214-L291 HydrophobicContact CB-CD2 4.15Å; A214-L291 HydrophobicContact CB-CG 4.41Å
215	Y	97.2	Very high	95.9	Very high	44 Å²	44	48.1 Å²	48.1	17%	0.173	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-43.5	175.7	174.4	-96.3	0	0	0	113.1	R211 N212 L213 T218 K219 V316	R211-Y215 PolarHBondContact O-N 3.37Å; N212-Y215 WeakPolarHBondContact O-CB 3.36Å; N212-Y215 PolarHBondContact O-N 2.94Å; L213-Y215 VanDerWaalsContact C-N 3.3Å; L213-Y215 PolarHBondContact O-N 3.23Å; Y215-T218 PolarHBondContact O-OG1 3.35Å; Y215-K219 HydrophobicContact CE1-CD 3.69Å; Y215-K219 HydrophobicContact CE2-CD 4.25Å; Y215-K219 VanDerWaalsContact CZ-CD 3.5Å; Y215-K219 WeakPolarHBondContact O-CB 3.48Å; Y215-K219 PolarHBondContact O-N 3.45Å; Y215-K219 WeakPolarHBondContact OH-CD 3.47Å; Y215-K219 PolarHBondContact OH-NZ 3.33Å; Y215-V316 HydrophobicContact CE2-CG1 4.14Å; Y215-V316 HydrophobicContact CE2-CG2 4.43Å
216	L	97.3	Very high	95.8	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-43.9	-179.5	-68	178.2	0	0	0	111.7	I172 P173 W204 K208 N212 L213 A214 T218 Y220	I172-L216 HydrophobicContact CG2-CD2 4.42Å; P173-L216 HydrophobicContact CG-CB 3.87Å; W204-L216 HydrophobicContact CH2-CD1 4.02Å; K208-L216 HydrophobicContact CD-CD1 3.52Å; N212-L216 WeakPolarHBondContact O-CG 3.33Å; N212-L216 PolarHBondContact O-N 2.94Å; L213-L216 PolarHBondContact O-N 3.25Å; L213-L216 VanDerWaalsContact O-N 3.16Å; A214-L216 PolarHBondContact O-N 2.93Å; L216-T218 VanDerWaalsContact C-N 3.34Å; L216-T218 PolarHBondContact O-N 3.27Å; L216-Y220 HydrophobicContact CD2-CD2 4.22Å; L216-Y220 HydrophobicContact CD2-CE2 3.99Å; L216-Y220 PolarHBondContact O-N 2.98Å
217	V	97.9	Very high	95.8	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-72.7	-26.7	-177.5	-56.4	0	0	0	0	113.5	L213 A214 H228 I249 F252 V253	L213-V217 HydrophobicContact CD1-CG1 3.94Å; L213-V217 HydrophobicContact CG-CG1 4.43Å; L213-V217 WeakPolarHBondContact O-CG1 3.27Å; L213-V217 PolarHBondContact O-N 2.93Å; A214-V217 WeakPolarHBondContact O-CG2 3.36Å; A214-V217 PolarHBondContact O-N 2.83Å; V217-H228 WeakPolarHBondContact CA-NE2 3.34Å; V217-I249 HydrophobicContact CG1-CG2 4.22Å; V217-I249 HydrophobicContact CG2-CG2 3.6Å; V217-F252 HydrophobicContact CG2-CD1 4.45Å; V217-V253 HydrophobicContact CB-CG2 3.82Å; V217-V253 HydrophobicContact CG1-CG2 4.02Å; V217-V253 HydrophobicContact CG2-CG2 3.99Å
218	T	97.4	Very high	95.8	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-83.5	-36.6	175.9	52.4	0	0	0	0	112.4	A214 Y215 L216 V221 F252 L291 V294 H319	A214-T218 WeakPolarHBondContact O-CG2 3.33Å; A214-T218 PolarHBondContact O-N 2.98Å; A214-T218 VanDerWaalsContact O-N 3.14Å; A214-T218 PolarHBondContact O-OG1 2.91Å; Y215-T218 PolarHBondContact O-OG1 3.35Å; L216-T218 VanDerWaalsContact C-N 3.34Å; L216-T218 PolarHBondContact O-N 3.27Å; T218-V221 WeakPolarHBondContact O-CG2 3.33Å; T218-F252 HydrophobicContact CG2-CE1 3.72Å; T218-F252 HydrophobicContact CG2-CZ 3.9Å; T218-L291 HydrophobicContact CG2-CD2 3.62Å; T218-V294 HydrophobicContact CG2-CB 4.25Å; T218-V294 HydrophobicContact CG2-CG1 4.02Å; T218-V294 HydrophobicContact CG2-CG2 4.09Å; T218-H319 WeakPolarHBondContact CB-NE2 3.48Å; T218-H319 PolarHBondContact OG1-NE2 2.9Å; T218-H319 VanDerWaalsContact OG1-NE2 3.1Å
219	K	95.7	Very high	95.9	Very high	26 Å²	26	44.7 Å²	44.7	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-74.5	-40.2	178.7	-178.5	174	-176.8	-178.5	0	113.1	Y215 V316 E318 H319	Y215-K219 HydrophobicContact CE1-CD 3.69Å; Y215-K219 HydrophobicContact CE2-CD 4.25Å; Y215-K219 VanDerWaalsContact CZ-CD 3.5Å; Y215-K219 WeakPolarHBondContact O-CB 3.48Å; Y215-K219 PolarHBondContact O-N 3.45Å; Y215-K219 WeakPolarHBondContact OH-CD 3.47Å; Y215-K219 PolarHBondContact OH-NZ 3.33Å; K219-V316 HydrophobicContact CB-CG2 4.48Å; K219-V316 HydrophobicContact CD-CG2 3.82Å; K219-V316 HydrophobicContact CG-CG2 3.93Å; K219-E318 HydrophobicContact CG-CB 4.07Å; K219-E318 HydrophobicContact CG-CG 4.18Å; K219-E318 WeakPolarHBondContact O-CB 3.4Å; K219-H319 PolarHBondContact N-NE2 3.26Å
220	Y	96.2	Very high	95.9	Very high	31 Å²	31	40.4 Å²	40.4	12%	0.122	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	54.8	-174.4	-52.6	-80.4	0	0	0	111.5	I172 P173 L216 N222 H228	I172-Y220 HydrophobicContact CB-CE2 4.22Å; I172-Y220 HydrophobicContact CD1-CE1 4.15Å; I172-Y220 HydrophobicContact CG2-CE2 4.36Å; P173-Y220 HydrophobicContact CB-CD2 4.46Å; P173-Y220 HydrophobicContact CB-CG 4.3Å; P173-Y220 HydrophobicContact CG-CD2 3.85Å; P173-Y220 HydrophobicContact CG-CG 4.15Å; L216-Y220 HydrophobicContact CD2-CD2 4.22Å; L216-Y220 HydrophobicContact CD2-CE2 3.99Å; L216-Y220 PolarHBondContact O-N 2.98Å; Y220-N222 VanDerWaalsContact C-N 3.26Å; Y220-N222 PolarHBondContact O-N 2.9Å; Y220-N222 VanDerWaalsContact O-N 3.15Å; Y220-H228 PolarHBondContact O-CD2 3.38Å; Y220-H228 PolarHBondContact O-NE2 3.38Å
221	V	94.3	Very high	95.9	Very high	67 Å²	67	39.6 Å²	39.6	41%	0.406	22%	0.215	S	C	.	.	S	Bend	trans	-48	-46.8	-175.7	-176.4	0	0	0	0	113	T218	T218-V221 WeakPolarHBondContact O-CG2 3.33Å
222	N	94.1	Very high	95.9	Very high	91 Å²	91	37.1 Å²	37.1	49%	0.487	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.2	174.5	63.3	76	0	0	0	110.5	Y220 W226	Y220-N222 VanDerWaalsContact C-N 3.26Å; Y220-N222 PolarHBondContact O-N 2.9Å; Y220-N222 VanDerWaalsContact O-N 3.15Å; N222-W226 CarbonylContact C-O 3.54Å; N222-W226 WeakPolarHBondContact CA-O 3.37Å; N222-W226 VanDerWaalsContact CB-O 3.28Å; N222-W226 WeakPolarHBondContact CB-O 3.22Å
223	R	91.9	Very high	95.9	Very high	81 Å²	81	40.7 Å²	40.7	31%	0.306	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	151	168.4	-60.8	-68.5	-176.9	-94.2	0.2	109.1	T174 F177 G225 W226	T174-R223 HydrophobicContact CG2-CB 4.25Å; T174-R223 HydrophobicContact CG2-CG 4.15Å; F177-R223 HydrophobicContact CD2-CB 4Å; R223-G225 PolarHBondContact O-N 2.87Å; R223-G225 VanDerWaalsContact O-N 3.14Å; R223-W226 PolarHBondContact N-O 3.45Å; R223-W226 PolarHBondContact O-N 3.44Å
224	L	87.5	Confident	95.7	Very high	103 Å²	103	43.7 Å²	43.7	54%	0.539	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	35.8	172.9	-55.3	172.1	0	0	0	113.5	E178 W226	E178-L224 HydrophobicContact CB-CD1 3.5Å; E178-L224 VanDerWaalsContact CB-CD1 3.5Å; E178-L224 HydrophobicContact CG-CD1 3.81Å; L224-W226 VanDerWaalsContact C-N 3.26Å; L224-W226 PolarHBondContact O-N 3.29Å
225	G	92.1	Very high	95.6	Very high	80 Å²	80	43.7 Å²	43.7	83%	0.825	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-5	-178.2	0	0	0	0	0	115.6	R223	R223-G225 PolarHBondContact O-N 2.87Å; R223-G225 VanDerWaalsContact O-N 3.14Å
226	W	95.8	Very high	95.5	Very high	29 Å²	29	47.1 Å²	47.1	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.7	179.5	-71.7	88.4	0	0	0	112	F177 V180 E184 W193 N222 R223 L224 D230 V231 L234	F177-W226 HydrophobicContact CB-CB 3.82Å; F177-W226 HydrophobicContact CB-CG 4.39Å; F177-W226 HydrophobicContact CD1-CB 3.92Å; F177-W226 HydrophobicContact CD2-CB 4.26Å; F177-W226 HydrophobicContact CG-CB 3.73Å; V180-W226 HydrophobicContact CG1-CD2 3.94Å; V180-W226 HydrophobicContact CG1-CE3 4Å; V180-W226 HydrophobicContact CG1-CH2 3.51Å; V180-W226 HydrophobicContact CG1-CZ2 3.41Å; V180-W226 VanDerWaalsContact CG1-CZ2 3.41Å; V180-W226 HydrophobicContact CG1-CZ3 3.81Å; E184-W226 VanDerWaalsContact OE2-CZ2 3.3Å; E184-W226 WeakPolarHBondContact OE2-CZ2 3.44Å; W193-W226 HydrophobicContact CZ2-CZ3 4.39Å; N222-W226 CarbonylContact C-O 3.54Å; N222-W226 WeakPolarHBondContact CA-O 3.37Å; N222-W226 VanDerWaalsContact CB-O 3.28Å; N222-W226 WeakPolarHBondContact CB-O 3.22Å; R223-W226 PolarHBondContact N-O 3.45Å; R223-W226 PolarHBondContact O-N 3.44Å; L224-W226 VanDerWaalsContact C-N 3.26Å; L224-W226 PolarHBondContact O-N 3.29Å; W226-D230 HydrophobicContact CE3-CB 3.8Å; W226-D230 HydrophobicContact CZ3-CB 4Å; W226-V231 HydrophobicContact CE3-CG2 3.91Å; W226-L234 HydrophobicContact CH2-CD1 3.86Å; W226-L234 HydrophobicContact CZ3-CD1 3.62Å
227	S	97.6	Very high	95.5	Very high	25 Å²	25	47.6 Å²	47.6	18%	0.175	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	164.3	166.2	75.7	0	0	0	0	111.9	L229 D230 V231	S227-L229 PolarHBondContact O-N 2.97Å; S227-L229 PolarHBondContact OG-N 3.2Å; S227-D230 WeakPolarHBondContact CB-OD2 3.19Å; S227-D230 PolarHBondContact N-OD2 3.35Å; S227-D230 PolarHBondContact O-N 3.24Å; S227-D230 PolarHBondContact OG-N 3.12Å; S227-D230 PolarHBondContact OG-OD2 3.34Å; S227-V231 PolarHBondContact O-N 3.43Å
228	H	98.3	Very high	95.4	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-56.2	-37.4	169.5	-77.8	-67.1	0	0	0	112.2	P173 F177 Y205 V217 Y220 D230 V231 L232 V253	P173-H228 VanDerWaalsContact CB-CE1 3.49Å; P173-H228 WeakPolarHBondContact CB-CE1 3.26Å; P173-H228 WeakPolarHBondContact CB-NE2 3.4Å; P173-H228 VanDerWaalsContact CG-CE1 3.43Å; P173-H228 WeakPolarHBondContact CG-CE1 3.18Å; P173-H228 WeakPolarHBondContact CG-NE2 3.12Å; F177-H228 HydrophobicContact CZ-CB 4.48Å; F177-H228 AromaticContact CZ-CD2 3.85Å; F177-H228 AromaticContact CZ-CE1 3.72Å; F177-H228 AromaticContact CZ-CG 3.79Å; F177-H228 AromaticContact CZ-ND1 3.69Å; F177-H228 AromaticContact CZ-NE2 3.82Å; Y205-H228 AromaticContact CE1-ND1 3.42Å; Y205-H228 WeakPolarHBondContact CE1-ND1 3.41Å; Y205-H228 AromaticContact CZ-ND1 3.58Å; Y205-H228 PolarHBondContact OH-ND1 3.38Å; V217-H228 WeakPolarHBondContact CA-NE2 3.34Å; Y220-H228 PolarHBondContact O-CD2 3.38Å; Y220-H228 PolarHBondContact O-NE2 3.38Å; H228-D230 VanDerWaalsContact C-N 3.33Å; H228-D230 PolarHBondContact O-N 3.24Å; H228-V231 PolarHBondContact O-N 2.98Å; H228-L232 WeakPolarHBondContact O-CB 3.39Å; H228-L232 WeakPolarHBondContact O-CG 3.34Å; H228-L232 PolarHBondContact O-N 3.17Å; H228-V253 HydrophobicContact CB-CG1 3.67Å; H228-V253 HydrophobicContact CB-CG2 4.24Å
229	L	97.8	Very high	95.3	Very high	38 Å²	38	57 Å²	57	20%	0.199	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-41	-179.7	-178.9	57.3	0	0	0	111.8	S227 L232 R233 V253 K254	S227-L229 PolarHBondContact O-N 2.97Å; S227-L229 PolarHBondContact OG-N 3.2Å; L229-L232 PolarHBondContact O-N 3.42Å; L229-R233 HydrophobicContact CD1-CG 4.34Å; L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 VanDerWaalsContact O-CG 3.22Å; L229-R233 WeakPolarHBondContact O-CG 3.43Å; L229-R233 PolarHBondContact O-N 2.63Å; L229-V253 HydrophobicContact CB-CG1 3.98Å; L229-K254 HydrophobicContact CD1-CB 4.13Å; L229-K254 HydrophobicContact CD1-CG 4.21Å
230	D	96.5	Very high	95.2	Very high	52 Å²	52	62.2 Å²	62.2	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-47.2	179.3	-54.2	-44.7	0	0	0	111	W226 S227 H228 L232 R233 L234	W226-D230 HydrophobicContact CE3-CB 3.8Å; W226-D230 HydrophobicContact CZ3-CB 4Å; S227-D230 WeakPolarHBondContact CB-OD2 3.19Å; S227-D230 PolarHBondContact N-OD2 3.35Å; S227-D230 PolarHBondContact O-N 3.24Å; S227-D230 PolarHBondContact OG-N 3.12Å; S227-D230 PolarHBondContact OG-OD2 3.34Å; H228-D230 VanDerWaalsContact C-N 3.33Å; H228-D230 PolarHBondContact O-N 3.24Å; D230-L232 PolarHBondContact O-N 3.31Å; D230-R233 PolarHBondContact O-N 3.48Å; D230-L234 WeakPolarHBondContact O-CG 3.29Å; D230-L234 PolarHBondContact O-N 3.35Å; D230-L234 VanDerWaalsContact O-N 3.14Å
231	V	96.8	Very high	95	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-42.1	178.2	177	0	0	0	0	111.4	L176 F177 W193 I201 Y205 W226 S227 H228 L234 A235	L176-V231 HydrophobicContact CD2-CG1 4.23Å; F177-V231 HydrophobicContact CD1-CG2 3.73Å; F177-V231 HydrophobicContact CE1-CB 4.4Å; F177-V231 HydrophobicContact CE1-CG2 3.64Å; W193-V231 HydrophobicContact CH2-CG1 4.04Å; I201-V231 HydrophobicContact CG2-CG1 3.61Å; Y205-V231 HydrophobicContact CE2-CG1 3.59Å; W226-V231 HydrophobicContact CE3-CG2 3.91Å; S227-V231 PolarHBondContact O-N 3.43Å; H228-V231 PolarHBondContact O-N 2.98Å; V231-L234 PolarHBondContact O-N 2.94Å; V231-A235 WeakPolarHBondContact O-CB 3.37Å; V231-A235 PolarHBondContact O-N 2.94Å
232	L	97.3	Very high	94.9	Very high	18 Å²	18	73.8 Å²	73.8	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-40	177	-69.8	174	0	0	0	111.8	Y205 H228 L229 D230 L234 H236 P237 F250 V253	Y205-L232 HydrophobicContact CD1-CD2 4.04Å; Y205-L232 HydrophobicContact CD2-CD2 4.14Å; Y205-L232 HydrophobicContact CE1-CD2 4.1Å; Y205-L232 HydrophobicContact CE2-CD2 4.21Å; Y205-L232 HydrophobicContact CG-CD2 4.08Å; H228-L232 WeakPolarHBondContact O-CB 3.39Å; H228-L232 WeakPolarHBondContact O-CG 3.34Å; H228-L232 PolarHBondContact O-N 3.17Å; L229-L232 PolarHBondContact O-N 3.42Å; D230-L232 PolarHBondContact O-N 3.31Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.19Å; L232-H236 PolarHBondContact O-N 3.23Å; L232-P237 HydrophobicContact CD2-CG 3.47Å; L232-P237 VanDerWaalsContact CD2-CG 3.47Å; L232-P237 WeakPolarHBondContact O-CD 3.48Å; L232-F250 HydrophobicContact CD1-CB 4.36Å; L232-F250 HydrophobicContact CD1-CD1 3.68Å; L232-F250 HydrophobicContact CD1-CE1 4.2Å; L232-F250 HydrophobicContact CD1-CG 4.08Å; L232-F250 HydrophobicContact CD2-CD1 3.84Å; L232-F250 HydrophobicContact CD2-CE1 3.53Å; L232-F250 HydrophobicContact CD2-CE2 4.24Å; L232-F250 HydrophobicContact CD2-CG 4.33Å; L232-F250 HydrophobicContact CD2-CZ 3.76Å; L232-F250 HydrophobicContact CG-CD1 4.44Å; L232-V253 HydrophobicContact CD1-CB 4.29Å; L232-V253 HydrophobicContact CD1-CG1 3.95Å
233	R	96	Very high	94.9	Very high	151 Å²	151	71.1 Å²	71.1	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-60.2	-41.3	176	-79.5	169.9	175.1	170.6	-2.8	112	L229 D230 H236	L229-R233 HydrophobicContact CD1-CG 4.34Å; L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 VanDerWaalsContact O-CG 3.22Å; L229-R233 WeakPolarHBondContact O-CG 3.43Å; L229-R233 PolarHBondContact O-N 2.63Å; D230-R233 PolarHBondContact O-N 3.48Å; R233-H236 PolarHBondContact O-CD2 3.4Å; R233-H236 PolarHBondContact O-CE1 2.92Å; R233-H236 PolarHBondContact O-ND1 3.23Å; R233-H236 PolarHBondContact O-NE2 3.05Å; R233-H236 VanDerWaalsContact O-NE2 3.16Å
234	L	95	Very high	94.9	Very high	62 Å²	62	69.3 Å²	69.3	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-85.3	-34.6	-176.3	-62.6	166.2	0	0	0	112.9	W193 R198 W226 D230 V231 L232 H236	W193-L234 HydrophobicContact CD2-CB 3.54Å; W193-L234 HydrophobicContact CD2-CD1 4.44Å; W193-L234 HydrophobicContact CD2-CG 4.5Å; W193-L234 HydrophobicContact CE3-CB 3.9Å; W193-L234 HydrophobicContact CG-CB 4.03Å; W193-L234 HydrophobicContact CH2-CB 3.84Å; W193-L234 HydrophobicContact CZ2-CB 3.54Å; W193-L234 HydrophobicContact CZ2-CD1 3.64Å; W193-L234 HydrophobicContact CZ2-CG 4.21Å; W193-L234 HydrophobicContact CZ3-CB 4.01Å; W193-L234 VanDerWaalsContact NE1-CD1 3.27Å; R198-L234 WeakPolarHBondContact CD-O 3.49Å; W226-L234 HydrophobicContact CH2-CD1 3.86Å; W226-L234 HydrophobicContact CZ3-CD1 3.62Å; D230-L234 WeakPolarHBondContact O-CG 3.29Å; D230-L234 PolarHBondContact O-N 3.35Å; D230-L234 VanDerWaalsContact O-N 3.14Å; V231-L234 PolarHBondContact O-N 2.94Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.19Å; L234-H236 PolarHBondContact O-CD2 2.96Å
235	A	95.4	Very high	95.3	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-74.9	-34.2	178.1	0	0	0	0	0	112.3	W193 I201 K202 V231	W193-A235 HydrophobicContact CH2-CB 4.45Å; W193-A235 HydrophobicContact CZ3-CB 3.8Å; I201-A235 HydrophobicContact CB-CB 4.25Å; I201-A235 HydrophobicContact CG2-CB 3.74Å; K202-A235 WeakPolarHBondContact CE-O 3.37Å; V231-A235 WeakPolarHBondContact O-CB 3.37Å; V231-A235 PolarHBondContact O-N 2.94Å
236	H	95.1	Very high	95.5	Very high	117 Å²	117	63.7 Å²	63.7	54%	0.542	30%	0.301	S	S	.	.			trans	53.7	53.8	-173.2	-55.2	-83.4	0	0	0	114.6	K202 L232 R233 L234	K202-H236 WeakPolarHBondContact CE-O 3.41Å; K202-H236 PolarHBondContact NZ-O 3.41Å; L232-H236 PolarHBondContact O-N 3.23Å; R233-H236 PolarHBondContact O-CD2 3.4Å; R233-H236 PolarHBondContact O-CE1 2.92Å; R233-H236 PolarHBondContact O-ND1 3.23Å; R233-H236 PolarHBondContact O-NE2 3.05Å; R233-H236 VanDerWaalsContact O-NE2 3.16Å; L234-H236 PolarHBondContact O-CD2 2.96Å
237	P	96.4	Very high	95.6	Very high	17 Å²	17	65.9 Å²	65.9	11%	0.11	32%	0.315	C	S	.	.			trans	-64.1	141.2	171.1	29.4	-31.9	0	0	0	110.3	K202 L206 L232 F250	K202-P237 HydrophobicContact CB-CB 4.41Å; K202-P237 HydrophobicContact CG-CB 4.04Å; L206-P237 HydrophobicContact CD1-CB 4.06Å; L206-P237 HydrophobicContact CD2-CB 4.36Å; L206-P237 HydrophobicContact CG-CB 4.12Å; L232-P237 HydrophobicContact CD2-CG 3.47Å; L232-P237 VanDerWaalsContact CD2-CG 3.47Å; L232-P237 WeakPolarHBondContact O-CD 3.48Å; P237-F250 HydrophobicContact CB-CE2 3.87Å; P237-F250 HydrophobicContact CB-CZ 4.13Å; P237-F250 HydrophobicContact CG-CD2 4.4Å; P237-F250 HydrophobicContact CG-CE2 3.61Å; P237-F250 HydrophobicContact CG-CZ 3.85Å
238	K	95.6	Very high	95.5	Very high	172 Å²	172	64.7 Å²	64.7	75%	0.748	31%	0.307	S	S	*	.			trans	-123.8	95.9	178.1	-67	-173	178.2	-173.6	0	107.5
239	P	95.7	Very high	95.5	Very high	34 Å²	34	64.6 Å²	64.6	22%	0.221	31%	0.306	C	S	.	.			trans	-55	140.1	173.3	-23.6	33.8	0	0	0	110.6	L206 Q243 H246 N247 F250	L206-P239 HydrophobicContact CD2-CB 4.25Å; L206-P239 HydrophobicContact CD2-CG 3.96Å; P239-Q243 HydrophobicContact CB-CB 3.8Å; P239-Q243 WeakPolarHBondContact CB-O 2.76Å; P239-H246 HydrophobicContact CB-CB 4.18Å; P239-H246 HydrophobicContact CG-CB 4.1Å; P239-N247 HydrophobicContact CB-CB 4.21Å; P239-N247 HydrophobicContact CG-CB 4.11Å; P239-F250 HydrophobicContact CG-CD2 3.69Å; P239-F250 HydrophobicContact CG-CE2 3.52Å
240	K	94.6	Very high	95.5	Very high	136 Å²	136	63.8 Å²	63.8	59%	0.591	30%	0.301	S	S	*	.			trans	-77.8	175.5	171.1	-57.9	178.1	-179.1	175.9	0	110.8	E242 Q243	K240-E242 VanDerWaalsContact C-N 3.27Å; K240-E242 HydrophobicContact CB-CG 4.23Å; K240-E242 WeakPolarHBondContact CB-OE1 3.06Å; K240-E242 WeakPolarHBondContact CB-OE2 3.15Å; K240-E242 WeakPolarHBondContact CD-OE1 3.46Å; K240-E242 IonicContact NZ-OE1 3.39Å; K240-E242 PolarHBondContact O-N 3.15Å; K240-Q243 CarbonylContact O-C 3.16Å; K240-Q243 WeakPolarHBondContact O-CA 3.46Å; K240-Q243 PolarHBondContact O-N 3.1Å
241	K	90.7	Very high	95.5	Very high	199 Å²	199	63 Å²	63	87%	0.865	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-60.7	-39	-178	-172.9	-179.3	177.9	-175.6	0	111.7	Q243 A244	K241-Q243 PolarHBondContact O-N 2.91Å; K241-A244 PolarHBondContact O-N 2.77Å
242	E	92.5	Very high	95.6	Very high	143 Å²	143	64.4 Å²	64.4	67%	0.668	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-67.1	-15	174.4	63.1	-88.6	-152.6	0	0	113.6	K240	K240-E242 VanDerWaalsContact C-N 3.27Å; K240-E242 HydrophobicContact CB-CG 4.23Å; K240-E242 WeakPolarHBondContact CB-OE1 3.06Å; K240-E242 WeakPolarHBondContact CB-OE2 3.15Å; K240-E242 WeakPolarHBondContact CD-OE1 3.46Å; K240-E242 IonicContact NZ-OE1 3.39Å; K240-E242 PolarHBondContact O-N 3.15Å
243	Q	93.7	Very high	95.6	Very high	34 Å²	34	65 Å²	65	16%	0.159	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-103.7	38.5	178	-64.5	177.1	-52.3	0	0	111.5	L206 P239 K240 K241 E245 H246 N247	L206-Q243 PolarHBondContact O-NE2 2.88Å; P239-Q243 HydrophobicContact CB-CB 3.8Å; P239-Q243 WeakPolarHBondContact CB-O 2.76Å; K240-Q243 CarbonylContact O-C 3.16Å; K240-Q243 WeakPolarHBondContact O-CA 3.46Å; K240-Q243 PolarHBondContact O-N 3.1Å; K241-Q243 PolarHBondContact O-N 2.91Å; Q243-E245 PolarHBondContact O-N 2.89Å; Q243-H246 HydrophobicContact CB-CB 4.19Å; Q243-H246 PolarHBondContact O-N 3.36Å; Q243-N247 PolarHBondContact O-N 2.82Å
244	A	93	Very high	95.7	Very high	43 Å²	43	64.7 Å²	64.7	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-56.1	-38.3	-179.1	0	0	0	0	0	112.2	K241 N247 D248 R263	K241-A244 PolarHBondContact O-N 2.77Å; A244-N247 VanDerWaalsContact O-CB 3.3Å; A244-N247 WeakPolarHBondContact O-CB 3.37Å; A244-N247 PolarHBondContact O-N 3.49Å; A244-D248 PolarHBondContact O-N 3.32Å; A244-D248 VanDerWaalsContact O-OD2 3.05Å; A244-R263 PolarHBondContact O-NH2 2.85Å
245	E	95.1	Very high	95.7	Very high	56 Å²	56	64.9 Å²	64.9	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-68.9	-38.4	178.5	-60.5	-172.8	123.2	0	0	112.9	P210 Q243 N247 D248 I249 S285	P210-E245 HydrophobicContact CB-CB 3.73Å; P210-E245 WeakPolarHBondContact CB-OE2 3.33Å; P210-E245 HydrophobicContact CG-CB 4.01Å; P210-E245 WeakPolarHBondContact CG-OE2 3.37Å; Q243-E245 PolarHBondContact O-N 2.89Å; E245-N247 PolarHBondContact O-N 3.23Å; E245-D248 WeakPolarHBondContact O-CB 3.14Å; E245-D248 PolarHBondContact O-N 3.12Å; E245-I249 VanDerWaalsContact O-CG1 3.29Å; E245-I249 WeakPolarHBondContact O-CG1 3.42Å; E245-I249 PolarHBondContact O-N 2.92Å; E245-S285 WeakPolarHBondContact OE1-CB 3.49Å; E245-S285 PolarHBondContact OE1-OG 3.14Å
246	H	97.6	Very high	95.8	Very high	10 Å²	10	66.2 Å²	66.2	5%	0.046	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-38.9	170.6	-63.7	75.5	0	0	0	111	L206 K208 P239 Q243 D248 I249 F250	L206-H246 HydrophobicContact CD2-CB 4.42Å; L206-H246 PolarHBondContact O-NE2 3Å; K208-H246 PolarHBondContact O-CE1 3.36Å; K208-H246 PolarHBondContact O-NE2 3.5Å; P239-H246 HydrophobicContact CB-CB 4.18Å; P239-H246 HydrophobicContact CG-CB 4.1Å; Q243-H246 HydrophobicContact CB-CB 4.19Å; Q243-H246 PolarHBondContact O-N 3.36Å; H246-D248 VanDerWaalsContact C-N 3.33Å; H246-I249 PolarHBondContact O-N 3.22Å; H246-F250 WeakPolarHBondContact O-CD1 3.47Å; H246-F250 WeakPolarHBondContact O-CG 3.45Å; H246-F250 PolarHBondContact O-N 3.45Å
247	N	96	Very high	95.8	Very high	74 Å²	74	61.1 Å²	61.1	40%	0.396	31%	0.307	S	S	.	.	H	α-helix	trans	-67.8	-31.7	175.8	-166.2	35.4	0	0	0	112.2	P239 Q243 A244 E245 L251 R263	P239-N247 HydrophobicContact CB-CB 4.21Å; P239-N247 HydrophobicContact CG-CB 4.11Å; Q243-N247 PolarHBondContact O-N 2.82Å; A244-N247 VanDerWaalsContact O-CB 3.3Å; A244-N247 WeakPolarHBondContact O-CB 3.37Å; A244-N247 PolarHBondContact O-N 3.49Å; E245-N247 PolarHBondContact O-N 3.23Å; N247-L251 WeakPolarHBondContact O-CB 3.33Å; N247-L251 PolarHBondContact O-N 3.44Å; N247-L251 VanDerWaalsContact O-N 3.1Å; N247-R263 VanDerWaalsContact C-NH2 3.26Å; N247-R263 PolarHBondContact ND2-NH1 2.89Å; N247-R263 PolarHBondContact O-NH1 3.15Å
248	D	96.3	Very high	95.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-43	172.3	-68.4	-68.5	0	0	0	110.5	A244 E245 H246 F250 L251 F252 V260 R263 R264 L288	A244-D248 PolarHBondContact O-N 3.32Å; A244-D248 VanDerWaalsContact O-OD2 3.05Å; E245-D248 WeakPolarHBondContact O-CB 3.14Å; E245-D248 PolarHBondContact O-N 3.12Å; H246-D248 VanDerWaalsContact C-N 3.33Å; D248-F250 VanDerWaalsContact C-N 3.32Å; D248-F250 PolarHBondContact O-N 3.02Å; D248-L251 CarbonylContact O-C 3.55Å; D248-L251 WeakPolarHBondContact O-CB 3.33Å; D248-L251 PolarHBondContact O-N 3.02Å; D248-L251 VanDerWaalsContact O-N 3.12Å; D248-F252 PolarHBondContact O-N 2.6Å; D248-V260 HydrophobicContact CB-CG1 3.94Å; D248-V260 WeakPolarHBondContact O-CG2 3.14Å; D248-R263 IonicContact OD1-CZ 2.84Å; D248-R263 IonicContact OD1-NE 3.4Å; D248-R263 PolarHBondContact OD1-NE 3.17Å; D248-R263 IonicContact OD1-NH2 2.66Å; D248-R263 PolarHBondContact OD1-NH2 3.47Å; D248-R263 IonicContact OD2-NH2 3.33Å; D248-R263 PolarHBondContact OD2-NH2 3.39Å; D248-R263 VanDerWaalsContact OD2-NH2 3.16Å; D248-R264 IonicContact OD1-CZ 3.43Å; D248-R264 IonicContact OD1-NE 3.05Å; D248-R264 PolarHBondContact OD1-NE 2.9Å; D248-R264 VanDerWaalsContact OD1-NE 3.1Å; D248-R264 IonicContact OD2-CZ 2.62Å; D248-R264 IonicContact OD2-NE 3.03Å; D248-R264 PolarHBondContact OD2-NE 3.29Å; D248-R264 IonicContact OD2-NH2 2.72Å; D248-R264 PolarHBondContact OD2-NH2 2.9Å; D248-L288 HydrophobicContact CB-CD2 3.65Å
249	I	97.8	Very high	95.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-40.8	179.4	-62.8	160.3	0	0	0	110.3	P210 L213 A214 V217 E245 H246 L251 F252 V253 A287 L291	P210-I249 HydrophobicContact CB-CD1 4.24Å; P210-I249 WeakPolarHBondContact O-CD1 3.39Å; L213-I249 HydrophobicContact CB-CD1 4.23Å; L213-I249 HydrophobicContact CD2-CD1 4.21Å; L213-I249 HydrophobicContact CD2-CG2 4.26Å; L213-I249 HydrophobicContact CG-CD1 4.27Å; L213-I249 HydrophobicContact CG-CG2 4.07Å; A214-I249 HydrophobicContact CB-CD1 4.05Å; A214-I249 HydrophobicContact CB-CG1 4.2Å; V217-I249 HydrophobicContact CG1-CG2 4.22Å; V217-I249 HydrophobicContact CG2-CG2 3.6Å; E245-I249 VanDerWaalsContact O-CG1 3.29Å; E245-I249 WeakPolarHBondContact O-CG1 3.42Å; E245-I249 PolarHBondContact O-N 2.92Å; H246-I249 PolarHBondContact O-N 3.22Å; I249-L251 VanDerWaalsContact C-N 3.34Å; I249-F252 WeakPolarHBondContact O-CB 3.39Å; I249-F252 PolarHBondContact O-N 3.02Å; I249-V253 WeakPolarHBondContact O-CG2 2.98Å; I249-V253 PolarHBondContact O-N 3.21Å; I249-A287 HydrophobicContact CD1-CB 4.43Å; I249-L291 HydrophobicContact CG1-CD1 4.29Å
250	F	97.9	Very high	95.7	Very high	22 Å²	22	55.8 Å²	55.8	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-36.9	174	-65.7	-9.9	0	0	0	112.3	Y205 L206 L213 L232 P237 P239 H246 D248 V253 K254	Y205-F250 HydrophobicContact CD1-CE1 4.07Å; Y205-F250 HydrophobicContact CG-CE1 4.4Å; Y205-F250 HydrophobicContact CG-CZ 4.48Å; L206-F250 HydrophobicContact CD2-CE2 4.04Å; L206-F250 HydrophobicContact CD2-CZ 4.02Å; L213-F250 HydrophobicContact CD2-CE1 4.04Å; L232-F250 HydrophobicContact CD1-CB 4.36Å; L232-F250 HydrophobicContact CD1-CD1 3.68Å; L232-F250 HydrophobicContact CD1-CE1 4.2Å; L232-F250 HydrophobicContact CD1-CG 4.08Å; L232-F250 HydrophobicContact CD2-CD1 3.84Å; L232-F250 HydrophobicContact CD2-CE1 3.53Å; L232-F250 HydrophobicContact CD2-CE2 4.24Å; L232-F250 HydrophobicContact CD2-CG 4.33Å; L232-F250 HydrophobicContact CD2-CZ 3.76Å; L232-F250 HydrophobicContact CG-CD1 4.44Å; P237-F250 HydrophobicContact CB-CE2 3.87Å; P237-F250 HydrophobicContact CB-CZ 4.13Å; P237-F250 HydrophobicContact CG-CD2 4.4Å; P237-F250 HydrophobicContact CG-CE2 3.61Å; P237-F250 HydrophobicContact CG-CZ 3.85Å; P239-F250 HydrophobicContact CG-CD2 3.69Å; P239-F250 HydrophobicContact CG-CE2 3.52Å; H246-F250 WeakPolarHBondContact O-CD1 3.47Å; H246-F250 WeakPolarHBondContact O-CG 3.45Å; H246-F250 PolarHBondContact O-N 3.45Å; D248-F250 VanDerWaalsContact C-N 3.32Å; D248-F250 PolarHBondContact O-N 3.02Å; F250-V253 PolarHBondContact O-N 2.69Å; F250-K254 WeakPolarHBondContact O-CB 3.46Å; F250-K254 PolarHBondContact O-N 3.29Å
251	L	97.5	Very high	95.7	Very high	36 Å²	36	53.1 Å²	53.1	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-41	173.3	179.8	60	0	0	0	111.6	N247 D248 I249 V253 K254 S255 A259 V260 R263	N247-L251 WeakPolarHBondContact O-CB 3.33Å; N247-L251 PolarHBondContact O-N 3.44Å; N247-L251 VanDerWaalsContact O-N 3.1Å; D248-L251 CarbonylContact O-C 3.55Å; D248-L251 WeakPolarHBondContact O-CB 3.33Å; D248-L251 PolarHBondContact O-N 3.02Å; D248-L251 VanDerWaalsContact O-N 3.12Å; I249-L251 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 2.91Å; L251-K254 PolarHBondContact O-N 3.4Å; L251-S255 PolarHBondContact O-N 2.97Å; L251-A259 HydrophobicContact CD1-CB 4.14Å; L251-A259 HydrophobicContact CD2-CB 4.34Å; L251-A259 HydrophobicContact CG-CB 4.11Å; L251-V260 HydrophobicContact CB-CG2 4.23Å; L251-V260 HydrophobicContact CD2-CG2 4.33Å; L251-V260 HydrophobicContact CG-CG2 4.16Å; L251-R263 HydrophobicContact CD2-CB 4.07Å
252	F	97.9	Very high	95.7	Very high	28 Å²	28	48.9 Å²	48.9	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-47	173.3	170.9	-93.4	0	0	0	111.5	V217 T218 D248 I249 K254 G256 F257 V260 L291	V217-F252 HydrophobicContact CG2-CD1 4.45Å; T218-F252 HydrophobicContact CG2-CE1 3.72Å; T218-F252 HydrophobicContact CG2-CZ 3.9Å; D248-F252 PolarHBondContact O-N 2.6Å; I249-F252 WeakPolarHBondContact O-CB 3.39Å; I249-F252 PolarHBondContact O-N 3.02Å; F252-K254 VanDerWaalsContact C-N 3.26Å; F252-K254 PolarHBondContact O-N 2.76Å; F252-G256 VanDerWaalsContact O-CA 3.3Å; F252-G256 WeakPolarHBondContact O-CA 3.41Å; F252-G256 PolarHBondContact O-N 2.9Å; F252-F257 HydrophobicContact CD2-CB 4.07Å; F252-F257 HydrophobicContact CD2-CD2 4.47Å; F252-F257 HydrophobicContact CE2-CB 4.09Å; F252-V260 HydrophobicContact CB-CG2 3.84Å; F252-L291 HydrophobicContact CB-CD1 3.86Å; F252-L291 HydrophobicContact CD1-CD1 4.49Å; F252-L291 HydrophobicContact CD1-CD2 3.74Å; F252-L291 HydrophobicContact CD2-CB 4.23Å; F252-L291 HydrophobicContact CD2-CD1 4.15Å; F252-L291 HydrophobicContact CD2-CD2 4.09Å; F252-L291 HydrophobicContact CD2-CG 4.38Å; F252-L291 HydrophobicContact CE1-CD2 3.81Å; F252-L291 HydrophobicContact CE2-CB 4.32Å; F252-L291 HydrophobicContact CE2-CD2 4.14Å; F252-L291 HydrophobicContact CG-CD1 3.92Å; F252-L291 HydrophobicContact CG-CD2 3.89Å; F252-L291 HydrophobicContact CG-CG 4.39Å; F252-L291 HydrophobicContact CZ-CD2 4Å
253	V	97.7	Very high	95.7	Very high	31 Å²	31	45.2 Å²	45.2	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-36.5	176.8	169.3	0	0	0	0	111.5	V217 H228 L229 L232 I249 F250 L251	V217-V253 HydrophobicContact CB-CG2 3.82Å; V217-V253 HydrophobicContact CG1-CG2 4.02Å; V217-V253 HydrophobicContact CG2-CG2 3.99Å; H228-V253 HydrophobicContact CB-CG1 3.67Å; H228-V253 HydrophobicContact CB-CG2 4.24Å; L229-V253 HydrophobicContact CB-CG1 3.98Å; L232-V253 HydrophobicContact CD1-CB 4.29Å; L232-V253 HydrophobicContact CD1-CG1 3.95Å; I249-V253 WeakPolarHBondContact O-CG2 2.98Å; I249-V253 PolarHBondContact O-N 3.21Å; F250-V253 PolarHBondContact O-N 2.69Å; L251-V253 PolarHBondContact O-N 2.91Å
254	K	97.3	Very high	95.5	Very high	144 Å²	144	46.8 Å²	46.8	63%	0.626	24%	0.241	S	C	*	.	H	α-helix	trans	-79.3	-40.1	-178.6	-176.1	-172.8	172.3	-173.5	0	113.6	L229 F250 L251 F252	L229-K254 HydrophobicContact CD1-CB 4.13Å; L229-K254 HydrophobicContact CD1-CG 4.21Å; F250-K254 WeakPolarHBondContact O-CB 3.46Å; F250-K254 PolarHBondContact O-N 3.29Å; L251-K254 PolarHBondContact O-N 3.4Å; F252-K254 VanDerWaalsContact C-N 3.26Å; F252-K254 PolarHBondContact O-N 2.76Å
255	S	97	Very high	95.2	Very high	66 Å²	66	48.3 Å²	48.3	46%	0.462	24%	0.242	S	C	.	.	H	α-helix	trans	-140.9	4.4	-161	-62	0	0	0	0	114.6	L251	L251-S255 PolarHBondContact O-N 2.97Å
256	G	96	Very high	94.7	Very high	29 Å²	29	52.1 Å²	52.1	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	80.2	179.3	178	0	0	0	0	0	114.6	F252	F252-G256 VanDerWaalsContact O-CA 3.3Å; F252-G256 WeakPolarHBondContact O-CA 3.41Å; F252-G256 PolarHBondContact O-N 2.9Å
257	F	95.4	Very high	94	Very high	9 Å²	9	53.8 Å²	53.8	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-70.3	-35.9	-173	-173.5	-106.1	0	0	0	113.5	F252 A259 V260 K261 F282 L291 Q292 H295	F252-F257 HydrophobicContact CD2-CB 4.07Å; F252-F257 HydrophobicContact CD2-CD2 4.47Å; F252-F257 HydrophobicContact CE2-CB 4.09Å; F257-A259 VanDerWaalsContact C-N 3.28Å; F257-A259 PolarHBondContact O-N 3.44Å; F257-V260 WeakPolarHBondContact O-CA 3.44Å; F257-V260 WeakPolarHBondContact O-CB 3.17Å; F257-V260 PolarHBondContact O-N 2.86Å; F257-K261 PolarHBondContact O-N 2.76Å; F257-F282 HydrophobicContact CE1-CE2 4.06Å; F257-F282 HydrophobicContact CE1-CZ 4.24Å; F257-F282 HydrophobicContact CZ-CD1 4.46Å; F257-F282 AromaticContact CZ-CD2 3.9Å; F257-F282 HydrophobicContact CZ-CD2 3.9Å; F257-F282 HydrophobicContact CZ-CE1 4.16Å; F257-F282 AromaticContact CZ-CE2 3.59Å; F257-F282 HydrophobicContact CZ-CE2 3.59Å; F257-F282 HydrophobicContact CZ-CG 4.35Å; F257-F282 AromaticContact CZ-CZ 3.72Å; F257-F282 HydrophobicContact CZ-CZ 3.72Å; F257-L291 HydrophobicContact CD2-CB 3.78Å; F257-L291 HydrophobicContact CE2-CB 3.97Å; F257-Q292 HydrophobicContact CE1-CB 3.95Å; F257-Q292 HydrophobicContact CE1-CG 3.83Å; F257-Q292 HydrophobicContact CE2-CB 3.75Å; F257-Q292 HydrophobicContact CZ-CB 3.34Å; F257-Q292 HydrophobicContact CZ-CG 3.63Å; F257-H295 HydrophobicContact CB-CB 3.87Å; F257-H295 HydrophobicContact CD1-CB 4.19Å; F257-H295 HydrophobicContact CG-CB 4.05Å
258	E	95.1	Very high	92.9	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.402	28%	0.276	S	S	.	.	H	α-helix	trans	-58.6	-39.2	178.4	-66.3	-52.6	126.7	0	0	112.3	V260 K261 E262 H295	E258-V260 VanDerWaalsContact C-N 3.32Å; E258-V260 PolarHBondContact O-N 3.09Å; E258-K261 WeakPolarHBondContact O-CB 3.38Å; E258-K261 PolarHBondContact O-N 2.82Å; E258-E262 WeakPolarHBondContact O-CG 3.13Å; E258-E262 PolarHBondContact O-N 3.45Å; E258-H295 IonicContact OE1-NE2 3.62Å
259	A	96.3	Very high	91.5	Very high	25 Å²	25	56.7 Å²	56.7	21%	0.207	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-35.9	175.5	0	0	0	0	0	112.7	L251 F257 R263	L251-A259 HydrophobicContact CD1-CB 4.14Å; L251-A259 HydrophobicContact CD2-CB 4.34Å; L251-A259 HydrophobicContact CG-CB 4.11Å; F257-A259 VanDerWaalsContact C-N 3.28Å; F257-A259 PolarHBondContact O-N 3.44Å; A259-R263 WeakPolarHBondContact O-CB 3.36Å; A259-R263 PolarHBondContact O-N 3.33Å; A259-R263 VanDerWaalsContact O-N 3.11Å
260	V	95.3	Very high	89.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-45	174.6	176.9	0	0	0	0	110.5	D248 L251 F252 F257 E258 R263 R264 L288	D248-V260 HydrophobicContact CB-CG1 3.94Å; D248-V260 WeakPolarHBondContact O-CG2 3.14Å; L251-V260 HydrophobicContact CB-CG2 4.23Å; L251-V260 HydrophobicContact CD2-CG2 4.33Å; L251-V260 HydrophobicContact CG-CG2 4.16Å; F252-V260 HydrophobicContact CB-CG2 3.84Å; F257-V260 WeakPolarHBondContact O-CA 3.44Å; F257-V260 WeakPolarHBondContact O-CB 3.17Å; F257-V260 PolarHBondContact O-N 2.86Å; E258-V260 VanDerWaalsContact C-N 3.32Å; E258-V260 PolarHBondContact O-N 3.09Å; V260-R263 PolarHBondContact O-N 3.1Å; V260-R264 HydrophobicContact CG1-CG 4.48Å; V260-R264 WeakPolarHBondContact O-CG 3.47Å; V260-R264 PolarHBondContact O-N 3.43Å; V260-L288 HydrophobicContact CG1-CD2 3.84Å
261	K	92.8	Very high	87.8	Confident	81 Å²	81	69.2 Å²	69.2	35%	0.352	37%	0.366	S	S	.	.	H	α-helix	trans	-58.5	-50	176.3	176.5	174.2	177.9	-168.9	0	111.8	F257 E258 R263 R264 I265 F282	F257-K261 PolarHBondContact O-N 2.76Å; E258-K261 WeakPolarHBondContact O-CB 3.38Å; E258-K261 PolarHBondContact O-N 2.82Å; K261-R263 VanDerWaalsContact C-N 3.31Å; K261-R263 PolarHBondContact O-N 3.35Å; K261-R264 PolarHBondContact O-N 3.24Å; K261-I265 HydrophobicContact CG-CD1 3.7Å; K261-I265 HydrophobicContact CG-CG1 4.47Å; K261-I265 WeakPolarHBondContact O-CB 3.07Å; K261-I265 VanDerWaalsContact O-CG1 3.27Å; K261-I265 WeakPolarHBondContact O-CG1 2.93Å; K261-I265 PolarHBondContact O-N 3.43Å; K261-F282 HydrophobicContact CB-CZ 3.74Å; K261-F282 HydrophobicContact CD-CZ 4.48Å; K261-F282 HydrophobicContact CG-CE2 4.44Å; K261-F282 HydrophobicContact CG-CZ 3.84Å
262	E	92.2	Very high	85.6	Confident	110 Å²	110	71.1 Å²	71.1	51%	0.514	40%	0.395	S	S	.	.	H	α-helix	trans	-57.4	-43.1	175.8	-74.9	-179.4	-162.1	0	0	112.4	E258 K266	E258-E262 WeakPolarHBondContact O-CG 3.13Å; E258-E262 PolarHBondContact O-N 3.45Å; E262-K266 WeakPolarHBondContact O-CB 3.29Å; E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.13Å; E262-K266 PolarHBondContact O-N 2.88Å
263	R	91.7	Very high	83.3	Confident	66 Å²	66	73.4 Å²	73.4	25%	0.249	42%	0.419	C	S	.	.	H	α-helix	trans	-63.3	-44.8	178.9	-175.1	174.9	79.5	170.8	33.6	111.9	A244 N247 D248 L251 A259 V260 K261 K266 A267	A244-R263 PolarHBondContact O-NH2 2.85Å; N247-R263 VanDerWaalsContact C-NH2 3.26Å; N247-R263 PolarHBondContact ND2-NH1 2.89Å; N247-R263 PolarHBondContact O-NH1 3.15Å; D248-R263 IonicContact OD1-CZ 2.84Å; D248-R263 IonicContact OD1-NE 3.4Å; D248-R263 PolarHBondContact OD1-NE 3.17Å; D248-R263 IonicContact OD1-NH2 2.66Å; D248-R263 PolarHBondContact OD1-NH2 3.47Å; D248-R263 IonicContact OD2-NH2 3.33Å; D248-R263 PolarHBondContact OD2-NH2 3.39Å; D248-R263 VanDerWaalsContact OD2-NH2 3.16Å; L251-R263 HydrophobicContact CD2-CB 4.07Å; A259-R263 WeakPolarHBondContact O-CB 3.36Å; A259-R263 PolarHBondContact O-N 3.33Å; A259-R263 VanDerWaalsContact O-N 3.11Å; V260-R263 PolarHBondContact O-N 3.1Å; K261-R263 VanDerWaalsContact C-N 3.31Å; K261-R263 PolarHBondContact O-N 3.35Å; R263-K266 PolarHBondContact O-N 2.73Å; R263-A267 PolarHBondContact O-N 3.14Å
264	R	89.5	Confident	81	Confident	67 Å²	67	81.2 Å²	81.2	25%	0.253	45%	0.454	S	S	.	.	H	α-helix	trans	-69.6	-41	-179.1	-71.1	-63.8	-171.6	153.8	5.9	111.9	D248 V260 K261 K266 A267 S268 F282 L288	D248-R264 IonicContact OD1-CZ 3.43Å; D248-R264 IonicContact OD1-NE 3.05Å; D248-R264 PolarHBondContact OD1-NE 2.9Å; D248-R264 VanDerWaalsContact OD1-NE 3.1Å; D248-R264 IonicContact OD2-CZ 2.62Å; D248-R264 IonicContact OD2-NE 3.03Å; D248-R264 PolarHBondContact OD2-NE 3.29Å; D248-R264 IonicContact OD2-NH2 2.72Å; D248-R264 PolarHBondContact OD2-NH2 2.9Å; V260-R264 HydrophobicContact CG1-CG 4.48Å; V260-R264 WeakPolarHBondContact O-CG 3.47Å; V260-R264 PolarHBondContact O-N 3.43Å; K261-R264 PolarHBondContact O-N 3.24Å; R264-K266 VanDerWaalsContact C-N 3.33Å; R264-K266 PolarHBondContact O-N 3.31Å; R264-A267 PolarHBondContact O-N 2.88Å; R264-S268 PolarHBondContact O-N 3.02Å; R264-S268 PolarHBondContact O-OG 2.91Å; R264-F282 HydrophobicContact CB-CE1 4.24Å; R264-F282 HydrophobicContact CG-CE1 4.36Å; R264-L288 HydrophobicContact CG-CD1 4.36Å
265	I	86.2	Confident	78.8	Confident	74 Å²	74	83.9 Å²	83.9	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-59	-44.2	173.5	-68.2	167.7	0	0	0	111.2	K261 S268 S269	K261-I265 HydrophobicContact CG-CD1 3.7Å; K261-I265 HydrophobicContact CG-CG1 4.47Å; K261-I265 WeakPolarHBondContact O-CB 3.07Å; K261-I265 VanDerWaalsContact O-CG1 3.27Å; K261-I265 WeakPolarHBondContact O-CG1 2.93Å; K261-I265 PolarHBondContact O-N 3.43Å; I265-S268 PolarHBondContact O-N 3.03Å; I265-S269 PolarHBondContact O-N 3.36Å; I265-S269 VanDerWaalsContact O-N 3.13Å; I265-S269 PolarHBondContact O-OG 3.13Å
266	K	85.9	Confident	76.6	Confident	136 Å²	136	84.7 Å²	84.7	59%	0.591	46%	0.459	S	S	*	.	H	α-helix	trans	-62.4	-42.8	177	-75.3	170.9	-177.9	167.1	0	111.9	E262 R263 R264 S269 T270	E262-K266 WeakPolarHBondContact O-CB 3.29Å; E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.13Å; E262-K266 PolarHBondContact O-N 2.88Å; R263-K266 PolarHBondContact O-N 2.73Å; R264-K266 VanDerWaalsContact C-N 3.33Å; R264-K266 PolarHBondContact O-N 3.31Å; K266-S269 PolarHBondContact O-N 3.4Å; K266-T270 PolarHBondContact O-N 2.83Å; K266-T270 PolarHBondContact O-OG1 3.33Å; K266-T270 VanDerWaalsContact O-OG1 3.12Å
267	A	81.4	Confident	74.5	Confident	46 Å²	46	90.7 Å²	90.7	38%	0.38	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-43.5	178.8	0	0	0	0	0	112.7	R263 R264 S269 T270	R263-A267 PolarHBondContact O-N 3.14Å; R264-A267 PolarHBondContact O-N 2.88Å; A267-S269 VanDerWaalsContact C-N 3.3Å; A267-S269 PolarHBondContact O-N 3.2Å; A267-T270 PolarHBondContact O-N 3.19Å; A267-T270 PolarHBondContact O-OG1 3.37Å
268	S	74.2	Confident	72.5	Confident	65 Å²	65	96 Å²	96	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-65.4	-32	176	-57.8	0	0	0	0	112.8	R264 I265 T270 E271	R264-S268 PolarHBondContact O-N 3.02Å; R264-S268 PolarHBondContact O-OG 2.91Å; I265-S268 PolarHBondContact O-N 3.03Å; S268-T270 VanDerWaalsContact C-N 3.27Å; S268-T270 PolarHBondContact O-N 3.08Å; S268-E271 PolarHBondContact O-N 3.48Å
269	S	66.1	Low	70.9	Confident	70 Å²	70	96.9 Å²	96.9	49%	0.49	52%	0.524	S	S	.	.	H	α-helix	trans	-68.8	-25.1	178.9	-53.8	0	0	0	0	113.1	I265 K266 A267	I265-S269 PolarHBondContact O-N 3.36Å; I265-S269 VanDerWaalsContact O-N 3.13Å; I265-S269 PolarHBondContact O-OG 3.13Å; K266-S269 PolarHBondContact O-N 3.4Å; A267-S269 VanDerWaalsContact C-N 3.3Å; A267-S269 PolarHBondContact O-N 3.2Å
270	T	60.9	Low	69.6	Low	118 Å²	118	98.5 Å²	98.5	72%	0.724	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.3	179.2	18.8	0	0	0	0	114.5	K266 A267 S268 G272	K266-T270 PolarHBondContact O-N 2.83Å; K266-T270 PolarHBondContact O-OG1 3.33Å; K266-T270 VanDerWaalsContact O-OG1 3.12Å; A267-T270 PolarHBondContact O-N 3.19Å; A267-T270 PolarHBondContact O-OG1 3.37Å; S268-T270 VanDerWaalsContact C-N 3.27Å; S268-T270 PolarHBondContact O-N 3.08Å; T270-G272 PolarHBondContact O-N 2.68Å
271	E	57.9	Low	68.3	Low	166 Å²	166	101.1 Å²	101.1	78%	0.776	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	11.2	-175.1	-72.3	-175	166.1	0	0	114.3	S268 A273	S268-E271 PolarHBondContact O-N 3.48Å; E271-A273 PolarHBondContact O-N 3.43Å
272	G	50.8	Low	67.7	Low	76 Å²	76	97.6 Å²	97.6	78%	0.784	53%	0.531	S	S	*	.			trans	67.4	7.4	168.9	0	0	0	0	0	115.9	T270	T270-G272 PolarHBondContact O-N 2.68Å
273	A	48.9	Very low	66.9	Low	77 Å²	77	95.5 Å²	95.5	64%	0.636	53%	0.528	S	S	*	.			trans	-83.9	135.5	174.2	0	0	0	0	0	110.9	E271 R275	E271-A273 PolarHBondContact O-N 3.43Å; A273-R275 PolarHBondContact O-N 3.5Å
274	E	49.7	Very low	66.3	Low	194 Å²	194	97.7 Å²	97.7	91%	0.907	55%	0.554	S	S	*	*			trans	-48.3	135.2	168.8	-92.6	177	147.5	0	0	110.4	D276	E274-D276 PolarHBondContact O-N 2.75Å
275	R	51.2	Low	66.4	Low	201 Å²	201	94.7 Å²	94.7	76%	0.758	54%	0.543	S	S	*	.			trans	-62.2	97.4	176.1	-78.3	-178.2	179.7	168.8	0.6	109.4	A273 L277	A273-R275 PolarHBondContact O-N 3.5Å; R275-L277 VanDerWaalsContact C-N 3.28Å; R275-L277 HydrophobicContact CB-CG 4.4Å; R275-L277 PolarHBondContact O-N 2.96Å
276	D	50.4	Low	66.8	Low	82 Å²	82	97.4 Å²	97.4	44%	0.439	55%	0.554	S	S	.	*			trans	-72.8	91.5	157.9	-172.2	-2.3	0	0	0	108.4	E274 T278 N279	E274-D276 PolarHBondContact O-N 2.75Å; D276-T278 PolarHBondContact O-N 3.34Å; D276-T278 VanDerWaalsContact O-N 3.11Å; D276-T278 WeakPolarHBondContact OD1-CB 3.22Å; D276-T278 PolarHBondContact OD1-N 3.45Å; D276-T278 PolarHBondContact OD1-OG1 3.5Å; D276-T278 PolarHBondContact OD2-OG1 3.06Å; D276-N279 HydrophobicContact CB-CB 4.46Å; D276-N279 PolarHBondContact O-N 3.17Å; D276-N279 PolarHBondContact OD2-ND2 3.02Å
277	L	51.8	Low	67.2	Low	156 Å²	156	91 Å²	91	82%	0.817	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.7	177.2	-71.8	168.3	0	0	0	112.9	R275	R275-L277 VanDerWaalsContact C-N 3.28Å; R275-L277 HydrophobicContact CB-CG 4.4Å; R275-L277 PolarHBondContact O-N 2.96Å
278	T	53.7	Low	67.9	Low	120 Å²	120	89 Å²	89	74%	0.736	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-19.3	179.8	73.2	0	0	0	0	113.2	D276	D276-T278 PolarHBondContact O-N 3.34Å; D276-T278 VanDerWaalsContact O-N 3.11Å; D276-T278 WeakPolarHBondContact OD1-CB 3.22Å; D276-T278 PolarHBondContact OD1-N 3.45Å; D276-T278 PolarHBondContact OD1-OG1 3.5Å; D276-T278 PolarHBondContact OD2-OG1 3.06Å
279	N	61.3	Low	68.9	Low	104 Å²	104	88.5 Å²	88.5	56%	0.556	50%	0.5	S	S	*	.	S	Bend	trans	-90.3	110	179.7	-90	-39.1	0	0	0	111	D276 P281	D276-N279 HydrophobicContact CB-CB 4.46Å; D276-N279 PolarHBondContact O-N 3.17Å; D276-N279 PolarHBondContact OD2-ND2 3.02Å; N279-P281 WeakPolarHBondContact O-CD 3.5Å
280	D	70	Confident	70.3	Confident	60 Å²	60	85.3 Å²	85.3	32%	0.321	48%	0.477	S	S	.	.			trans	-57.4	118.7	171.8	-175.4	-19.2	0	0	0	108.7	F282 S283 Q292	D280-F282 PolarHBondContact O-N 3.45Å; D280-F282 WeakPolarHBondContact OD1-CB 3.32Å; D280-F282 WeakPolarHBondContact OD1-CD2 3.22Å; D280-F282 WeakPolarHBondContact OD1-CG 3.46Å; D280-F282 PolarHBondContact OD1-N 2.88Å; D280-S283 VanDerWaalsContact O-CB 3.24Å; D280-S283 WeakPolarHBondContact O-CB 3.47Å; D280-S283 PolarHBondContact O-N 3.21Å; D280-S283 PolarHBondContact O-OG 3.32Å; D280-Q292 PolarHBondContact OD2-NE2 2.86Å; D280-Q292 PolarHBondContact OD2-OE1 3.44Å
281	P	68.2	Low	72	Confident	55 Å²	55	79.7 Å²	79.7	36%	0.357	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-11.7	-177.9	25.7	-36.1	0	0	0	113.5	N279	N279-P281 WeakPolarHBondContact O-CD 3.5Å
282	F	79.8	Confident	73.8	Confident	6 Å²	6	74.4 Å²	74.4	3%	0.026	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-11.8	177.6	-46.2	-55.7	0	0	0	113.1	F257 K261 R264 D280 S284 S285 L288 Q289 Q292	F257-F282 HydrophobicContact CE1-CE2 4.06Å; F257-F282 HydrophobicContact CE1-CZ 4.24Å; F257-F282 HydrophobicContact CZ-CD1 4.46Å; F257-F282 AromaticContact CZ-CD2 3.9Å; F257-F282 HydrophobicContact CZ-CD2 3.9Å; F257-F282 HydrophobicContact CZ-CE1 4.16Å; F257-F282 AromaticContact CZ-CE2 3.59Å; F257-F282 HydrophobicContact CZ-CE2 3.59Å; F257-F282 HydrophobicContact CZ-CG 4.35Å; F257-F282 AromaticContact CZ-CZ 3.72Å; F257-F282 HydrophobicContact CZ-CZ 3.72Å; K261-F282 HydrophobicContact CB-CZ 3.74Å; K261-F282 HydrophobicContact CD-CZ 4.48Å; K261-F282 HydrophobicContact CG-CE2 4.44Å; K261-F282 HydrophobicContact CG-CZ 3.84Å; R264-F282 HydrophobicContact CB-CE1 4.24Å; R264-F282 HydrophobicContact CG-CE1 4.36Å; D280-F282 PolarHBondContact O-N 3.45Å; D280-F282 WeakPolarHBondContact OD1-CB 3.32Å; D280-F282 WeakPolarHBondContact OD1-CD2 3.22Å; D280-F282 WeakPolarHBondContact OD1-CG 3.46Å; D280-F282 PolarHBondContact OD1-N 2.88Å; F282-S284 PolarHBondContact O-N 3.08Å; F282-S285 PolarHBondContact O-N 3.11Å; F282-L288 HydrophobicContact CB-CB 3.91Å; F282-L288 HydrophobicContact CD1-CB 3.91Å; F282-L288 HydrophobicContact CD1-CD1 4.03Å; F282-L288 HydrophobicContact CG-CB 4.25Å; F282-Q289 WeakPolarHBondContact O-CG 3.4Å; F282-Q292 HydrophobicContact CD2-CG 4.44Å
283	S	74.9	Confident	76	Confident	66 Å²	66	71 Å²	71	46%	0.462	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25	-173.3	58.4	0	0	0	0	114.6	D280 Q289	D280-S283 VanDerWaalsContact O-CB 3.24Å; D280-S283 WeakPolarHBondContact O-CB 3.47Å; D280-S283 PolarHBondContact O-N 3.21Å; D280-S283 PolarHBondContact O-OG 3.32Å; S283-Q289 PolarHBondContact O-NE2 2.98Å
284	S	80.4	Confident	78.2	Confident	113 Å²	113	67.3 Å²	67.3	79%	0.79	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.7	177.6	58.9	0	0	0	0	114.8	F282	F282-S284 PolarHBondContact O-N 3.08Å
285	S	90.9	Very high	80.5	Confident	3 Å²	3	62 Å²	62	2%	0.021	33%	0.327	C	S	.	.			trans	-125.6	113.6	-174.4	171.5	0	0	0	0	112	E245 F282 A287 L288 Q289	E245-S285 WeakPolarHBondContact OE1-CB 3.49Å; E245-S285 PolarHBondContact OE1-OG 3.14Å; F282-S285 PolarHBondContact O-N 3.11Å; S285-A287 PolarHBondContact O-N 3.35Å; S285-A287 PolarHBondContact OG-N 3.43Å; S285-L288 PolarHBondContact O-N 3.35Å; S285-L288 WeakPolarHBondContact OG-CG 3.42Å; S285-L288 PolarHBondContact OG-N 3.42Å; S285-Q289 WeakPolarHBondContact O-CG 3.18Å; S285-Q289 PolarHBondContact O-N 2.87Å
286	E	93.8	Very high	82.6	Confident	132 Å²	132	54.7 Å²	54.7	62%	0.617	31%	0.31	S	S	*	.	H	α-helix	trans	-59.7	-33.1	173.1	-62.5	-170.8	174.9	0	0	112.1	R211 L290	R211-E286 HydrophobicContact CB-CB 4.33Å; R211-E286 WeakPolarHBondContact CD-O 3.44Å; R211-E286 HydrophobicContact CG-CB 4.11Å; E286-L290 WeakPolarHBondContact O-CB 3.32Å; E286-L290 PolarHBondContact O-N 2.98Å
287	A	95.3	Very high	84.8	Confident	2 Å²	2	50.8 Å²	50.8	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-47.2	177.9	0	0	0	0	0	111	P210 A214 I249 S285 L290 L291	P210-A287 HydrophobicContact CB-CB 4.04Å; A214-A287 HydrophobicContact CB-CB 4.08Å; I249-A287 HydrophobicContact CD1-CB 4.43Å; S285-A287 PolarHBondContact O-N 3.35Å; S285-A287 PolarHBondContact OG-N 3.43Å; A287-L290 WeakPolarHBondContact O-CB 3.39Å; A287-L290 PolarHBondContact O-N 3.39Å; A287-L291 WeakPolarHBondContact O-CG 3.49Å; A287-L291 PolarHBondContact O-N 2.93Å; A287-L291 VanDerWaalsContact O-N 3.09Å
288	L	95.1	Very high	86.9	Confident	2 Å²	2	49 Å²	49	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-70.2	-39	-179.9	-61	179.6	0	0	0	112.1	D248 V260 R264 F282 S285 L290 L291 Q292	D248-L288 HydrophobicContact CB-CD2 3.65Å; V260-L288 HydrophobicContact CG1-CD2 3.84Å; R264-L288 HydrophobicContact CG-CD1 4.36Å; F282-L288 HydrophobicContact CB-CB 3.91Å; F282-L288 HydrophobicContact CD1-CB 3.91Å; F282-L288 HydrophobicContact CD1-CD1 4.03Å; F282-L288 HydrophobicContact CG-CB 4.25Å; S285-L288 PolarHBondContact O-N 3.35Å; S285-L288 WeakPolarHBondContact OG-CG 3.42Å; S285-L288 PolarHBondContact OG-N 3.42Å; L288-L290 VanDerWaalsContact C-N 3.28Å; L288-L290 PolarHBondContact O-N 2.72Å; L288-L291 HydrophobicContact CD2-CD1 4.29Å; L288-L291 PolarHBondContact O-N 3.34Å; L288-Q292 WeakPolarHBondContact O-CB 3.47Å; L288-Q292 PolarHBondContact O-N 2.76Å
289	Q	95.1	Very high	88.8	Confident	56 Å²	56	46.3 Å²	46.3	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-41.1	171.7	-71.6	176.2	40.4	0	0	111.6	F282 S283 S285 Q292 A293	F282-Q289 WeakPolarHBondContact O-CG 3.4Å; S283-Q289 PolarHBondContact O-NE2 2.98Å; S285-Q289 WeakPolarHBondContact O-CG 3.18Å; S285-Q289 PolarHBondContact O-N 2.87Å; Q289-Q292 PolarHBondContact O-N 3.23Å; Q289-A293 WeakPolarHBondContact O-CB 3.33Å; Q289-A293 PolarHBondContact O-N 3.27Å
290	L	96	Very high	90.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-44.8	175.6	-179.9	69.9	0	0	0	111.7	A214 E286 A287 L288 Q292 A293 V294 L315	A214-L290 HydrophobicContact CB-CD2 3.92Å; E286-L290 WeakPolarHBondContact O-CB 3.32Å; E286-L290 PolarHBondContact O-N 2.98Å; A287-L290 WeakPolarHBondContact O-CB 3.39Å; A287-L290 PolarHBondContact O-N 3.39Å; L288-L290 VanDerWaalsContact C-N 3.28Å; L288-L290 PolarHBondContact O-N 2.72Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 2.74Å; L290-A293 PolarHBondContact O-N 2.98Å; L290-V294 HydrophobicContact CD1-CG2 4.4Å; L290-V294 WeakPolarHBondContact O-CG2 3.48Å; L290-V294 PolarHBondContact O-N 2.95Å; L290-L315 HydrophobicContact CD1-CD2 3.53Å
291	L	96.8	Very high	91.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-40.6	178.5	-64	-178.5	0	0	0	111.6	A214 T218 I249 F252 F257 A287 L288 H295	A214-L291 HydrophobicContact CB-CD2 4.15Å; A214-L291 HydrophobicContact CB-CG 4.41Å; T218-L291 HydrophobicContact CG2-CD2 3.62Å; I249-L291 HydrophobicContact CG1-CD1 4.29Å; F252-L291 HydrophobicContact CB-CD1 3.86Å; F252-L291 HydrophobicContact CD1-CD1 4.49Å; F252-L291 HydrophobicContact CD1-CD2 3.74Å; F252-L291 HydrophobicContact CD2-CB 4.23Å; F252-L291 HydrophobicContact CD2-CD1 4.15Å; F252-L291 HydrophobicContact CD2-CD2 4.09Å; F252-L291 HydrophobicContact CD2-CG 4.38Å; F252-L291 HydrophobicContact CE1-CD2 3.81Å; F252-L291 HydrophobicContact CE2-CB 4.32Å; F252-L291 HydrophobicContact CE2-CD2 4.14Å; F252-L291 HydrophobicContact CG-CD1 3.92Å; F252-L291 HydrophobicContact CG-CD2 3.89Å; F252-L291 HydrophobicContact CG-CG 4.39Å; F252-L291 HydrophobicContact CZ-CD2 4Å; F257-L291 HydrophobicContact CD2-CB 3.78Å; F257-L291 HydrophobicContact CE2-CB 3.97Å; A287-L291 WeakPolarHBondContact O-CG 3.49Å; A287-L291 PolarHBondContact O-N 2.93Å; A287-L291 VanDerWaalsContact O-N 3.09Å; L288-L291 HydrophobicContact CD2-CD1 4.29Å; L288-L291 PolarHBondContact O-N 3.34Å; L291-H295 WeakPolarHBondContact O-CB 3.3Å; L291-H295 PolarHBondContact O-N 2.92Å
292	Q	95.6	Very high	92.9	Very high	56 Å²	56	49.3 Å²	49.3	26%	0.262	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-48.4	174.6	-170.9	-177	20.5	0	0	111.2	F257 D280 F282 L288 Q289 L290 V294 H295 A296	F257-Q292 HydrophobicContact CE1-CB 3.95Å; F257-Q292 HydrophobicContact CE1-CG 3.83Å; F257-Q292 HydrophobicContact CE2-CB 3.75Å; F257-Q292 HydrophobicContact CZ-CB 3.34Å; F257-Q292 HydrophobicContact CZ-CG 3.63Å; D280-Q292 PolarHBondContact OD2-NE2 2.86Å; D280-Q292 PolarHBondContact OD2-OE1 3.44Å; F282-Q292 HydrophobicContact CD2-CG 4.44Å; L288-Q292 WeakPolarHBondContact O-CB 3.47Å; L288-Q292 PolarHBondContact O-N 2.76Å; Q289-Q292 PolarHBondContact O-N 3.23Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 2.74Å; Q292-V294 PolarHBondContact O-N 3.01Å; Q292-H295 WeakPolarHBondContact O-CB 3.49Å; Q292-H295 PolarHBondContact O-N 3.27Å; Q292-A296 WeakPolarHBondContact O-CB 3.42Å; Q292-A296 PolarHBondContact O-N 2.94Å
293	A	96.4	Very high	93.7	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-41.3	179.6	0	0	0	0	0	112.4	Q289 L290 H295 A296 L297 H313 L315	Q289-A293 WeakPolarHBondContact O-CB 3.33Å; Q289-A293 PolarHBondContact O-N 3.27Å; L290-A293 PolarHBondContact O-N 2.98Å; A293-H295 VanDerWaalsContact C-N 3.33Å; A293-A296 PolarHBondContact O-N 3.27Å; A293-L297 WeakPolarHBondContact O-CB 3.42Å; A293-L297 PolarHBondContact O-N 3.37Å; A293-H313 HydrophobicContact CB-CB 3.8Å; A293-H313 WeakPolarHBondContact CB-CD2 3.28Å; A293-L315 HydrophobicContact CB-CD1 4.41Å
294	V	96.9	Very high	94.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-39.4	174.4	171	0	0	0	0	111	T218 L290 Q292 K298 L315	T218-V294 HydrophobicContact CG2-CB 4.25Å; T218-V294 HydrophobicContact CG2-CG1 4.02Å; T218-V294 HydrophobicContact CG2-CG2 4.09Å; L290-V294 HydrophobicContact CD1-CG2 4.4Å; L290-V294 WeakPolarHBondContact O-CG2 3.48Å; L290-V294 PolarHBondContact O-N 2.95Å; Q292-V294 PolarHBondContact O-N 3.01Å; V294-K298 HydrophobicContact CG1-CD 4.49Å; V294-K298 WeakPolarHBondContact O-CG 3.48Å; V294-K298 PolarHBondContact O-N 3.48Å; V294-K298 VanDerWaalsContact O-N 3.13Å; V294-L315 HydrophobicContact CG2-CD2 3.79Å
295	H	96.2	Very high	95.6	Very high	83 Å²	83	49.4 Å²	49.4	38%	0.384	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-46.6	175.3	179.3	72.2	0	0	0	111.7	F257 E258 L291 Q292 A293 K298 G299	F257-H295 HydrophobicContact CB-CB 3.87Å; F257-H295 HydrophobicContact CD1-CB 4.19Å; F257-H295 HydrophobicContact CG-CB 4.05Å; E258-H295 IonicContact OE1-NE2 3.62Å; L291-H295 WeakPolarHBondContact O-CB 3.3Å; L291-H295 PolarHBondContact O-N 2.92Å; Q292-H295 WeakPolarHBondContact O-CB 3.49Å; Q292-H295 PolarHBondContact O-N 3.27Å; A293-H295 VanDerWaalsContact C-N 3.33Å; H295-K298 PolarHBondContact O-N 3.4Å; H295-G299 PolarHBondContact O-N 2.89Å
296	A	96.4	Very high	95.9	Very high	47 Å²	47	49.3 Å²	49.3	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-46.3	177	0	0	0	0	0	112.1	Q292 A293 K298 G299 C300 L309	Q292-A296 WeakPolarHBondContact O-CB 3.42Å; Q292-A296 PolarHBondContact O-N 2.94Å; A293-A296 PolarHBondContact O-N 3.27Å; A296-K298 VanDerWaalsContact C-N 3.3Å; A296-K298 PolarHBondContact O-N 3.28Å; A296-G299 PolarHBondContact O-N 3.24Å; A296-G299 VanDerWaalsContact O-N 3.14Å; A296-C300 PolarHBondContact O-N 3.16Å; A296-C300 VanDerWaalsContact O-N 3.16Å; A296-L309 HydrophobicContact CB-CD1 4.21Å
297	L	97.2	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-37	179.1	-179.5	62.3	0	0	0	112.1	A293 G299 C300 A306 L309 I310 L315 H319 V320 P321	A293-L297 WeakPolarHBondContact O-CB 3.42Å; A293-L297 PolarHBondContact O-N 3.37Å; L297-G299 PolarHBondContact O-N 3.26Å; L297-C300 HydrophobicContact CD1-CB 4.4Å; L297-C300 WeakPolarHBondContact O-CB 3.4Å; L297-C300 PolarHBondContact O-N 3.33Å; L297-C300 VanDerWaalsContact O-N 3.12Å; L297-A306 HydrophobicContact CD1-CB 3.71Å; L297-L309 HydrophobicContact CB-CD1 4.21Å; L297-L309 HydrophobicContact CD1-CD1 4.48Å; L297-I310 HydrophobicContact CD2-CG1 4.2Å; L297-L315 HydrophobicContact CB-CD1 4.14Å; L297-L315 HydrophobicContact CD2-CB 4.34Å; L297-L315 HydrophobicContact CD2-CD1 3.51Å; L297-L315 HydrophobicContact CG-CD1 4.42Å; L297-H319 HydrophobicContact CD2-CB 3.98Å; L297-V320 HydrophobicContact CD2-CG2 4.16Å; L297-P321 WeakPolarHBondContact O-CD 3.45Å; L297-P321 VanDerWaalsContact O-CG 3.24Å; L297-P321 WeakPolarHBondContact O-CG 3.48Å
298	K	94.8	Very high	96.2	Very high	118 Å²	118	48.8 Å²	48.8	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-30.5	177.1	-81	179.4	178.7	-175.5	0	113.5	V294 H295 A296	V294-K298 HydrophobicContact CG1-CD 4.49Å; V294-K298 WeakPolarHBondContact O-CG 3.48Å; V294-K298 PolarHBondContact O-N 3.48Å; V294-K298 VanDerWaalsContact O-N 3.13Å; H295-K298 PolarHBondContact O-N 3.4Å; A296-K298 VanDerWaalsContact C-N 3.3Å; A296-K298 PolarHBondContact O-N 3.28Å
299	G	93.2	Very high	96.3	Very high	64 Å²	64	50.2 Å²	50.2	66%	0.66	28%	0.282	S	S	*	.	H	α-helix	trans	-92.9	-4.8	176.5	0	0	0	0	0	114.2	H295 A296 L297	H295-G299 PolarHBondContact O-N 2.89Å; A296-G299 PolarHBondContact O-N 3.24Å; A296-G299 VanDerWaalsContact O-N 3.14Å; L297-G299 PolarHBondContact O-N 3.26Å
300	C	95.7	Very high	96.4	Very high	20 Å²	20	47.7 Å²	47.7	14%	0.135	27%	0.271	C	S	.	.			trans	-75.5	140.9	-175.7	-166.6	0	0	0	0	111.7	A296 L297 D302	A296-C300 PolarHBondContact O-N 3.16Å; A296-C300 VanDerWaalsContact O-N 3.16Å; L297-C300 HydrophobicContact CD1-CB 4.4Å; L297-C300 WeakPolarHBondContact O-CB 3.4Å; L297-C300 PolarHBondContact O-N 3.33Å; L297-C300 VanDerWaalsContact O-N 3.12Å; C300-D302 PolarHBondContact SG-O 2.94Å; C300-D302 VanDerWaalsContact SG-O 3.33Å
301	Q	94.4	Very high	96.4	Very high	182 Å²	182	52 Å²	52	85%	0.85	29%	0.289	S	S	*	.			trans	-121.7	-9.3	173.6	-62.8	-175.8	-7.4	0	0	112.9
302	D	96.4	Very high	96.3	Very high	81 Å²	81	60.7 Å²	60.7	43%	0.433	32%	0.322	S	S	.	.			trans	-95.5	125.7	-178.7	174.2	61.1	0	0	0	110.9	C300 A304 T305 A306	C300-D302 PolarHBondContact SG-O 2.94Å; C300-D302 VanDerWaalsContact SG-O 3.33Å; D302-A304 PolarHBondContact O-N 2.8Å; D302-A304 PolarHBondContact OD2-N 3.34Å; D302-T305 VanDerWaalsContact OD2-CB 3.22Å; D302-T305 WeakPolarHBondContact OD2-CB 3.3Å; D302-T305 PolarHBondContact OD2-N 3.03Å; D302-T305 PolarHBondContact OD2-OG1 3.37Å; D302-A306 VanDerWaalsContact O-CB 3.25Å; D302-A306 WeakPolarHBondContact O-CB 3.5Å; D302-A306 PolarHBondContact O-N 3.14Å
303	D	96.7	Very high	96.2	Very high	59 Å²	59	59.5 Å²	59.5	32%	0.316	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-40.7	-176.2	-75.4	2.4	0	0	0	112.4	A307 L324 S327 L329	D303-A307 WeakPolarHBondContact O-CB 3.23Å; D303-A307 PolarHBondContact O-N 2.9Å; D303-L324 WeakPolarHBondContact OD1-CD2 3.46Å; D303-S327 VanDerWaalsContact CG-CB 3.43Å; D303-S327 WeakPolarHBondContact OD2-CB 3.45Å; D303-S327 PolarHBondContact OD2-OG 2.76Å; D303-L329 HydrophobicContact CB-CD1 4.32Å
304	A	97.4	Very high	96.1	Very high	55 Å²	55	67.1 Å²	67.1	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-45.6	-176.9	0	0	0	0	0	111.5	D302 A306 A307 E308	D302-A304 PolarHBondContact O-N 2.8Å; D302-A304 PolarHBondContact OD2-N 3.34Å; A304-A306 VanDerWaalsContact C-N 3.32Å; A304-A306 PolarHBondContact O-N 2.97Å; A304-A307 PolarHBondContact O-N 3.28Å; A304-E308 PolarHBondContact O-N 2.87Å
305	T	97.3	Very high	96.1	Very high	73 Å²	73	67.4 Å²	67.4	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-41.5	174.8	-56.7	0	0	0	0	111	D302 E308 L309	D302-T305 VanDerWaalsContact OD2-CB 3.22Å; D302-T305 WeakPolarHBondContact OD2-CB 3.3Å; D302-T305 PolarHBondContact OD2-N 3.03Å; D302-T305 PolarHBondContact OD2-OG1 3.37Å; T305-E308 PolarHBondContact O-N 3.49Å; T305-L309 HydrophobicContact CG2-CD1 4.44Å; T305-L309 WeakPolarHBondContact O-CG 3.32Å; T305-L309 PolarHBondContact O-N 2.98Å
306	A	97.8	Very high	96.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-45.3	174.9	0	0	0	0	0	112	L297 D302 A304 E308 L309 I310 L324 V330	L297-A306 HydrophobicContact CD1-CB 3.71Å; D302-A306 VanDerWaalsContact O-CB 3.25Å; D302-A306 WeakPolarHBondContact O-CB 3.5Å; D302-A306 PolarHBondContact O-N 3.14Å; A304-A306 VanDerWaalsContact C-N 3.32Å; A304-A306 PolarHBondContact O-N 2.97Å; A306-E308 VanDerWaalsContact C-N 3.34Å; A306-E308 PolarHBondContact O-N 3.31Å; A306-L309 PolarHBondContact O-N 3.46Å; A306-I310 WeakPolarHBondContact O-CD1 3.44Å; A306-I310 WeakPolarHBondContact O-CG1 3.42Å; A306-I310 PolarHBondContact O-N 3.1Å; A306-L324 HydrophobicContact CB-CD1 3.72Å; A306-V330 HydrophobicContact CB-CG2 4.18Å
307	A	97.7	Very high	96	Very high	11 Å²	11	66 Å²	66	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-43.2	176.2	0	0	0	0	0	111.9	D303 A304 I310 K311 A333	D303-A307 WeakPolarHBondContact O-CB 3.23Å; D303-A307 PolarHBondContact O-N 2.9Å; A304-A307 PolarHBondContact O-N 3.28Å; A307-I310 WeakPolarHBondContact O-CB 3.42Å; A307-I310 PolarHBondContact O-N 3.15Å; A307-K311 WeakPolarHBondContact O-CG 3.15Å; A307-K311 PolarHBondContact O-N 3.07Å; A307-A333 HydrophobicContact CB-CB 3.88Å
308	E	97.2	Very high	95.9	Very high	113 Å²	113	69.3 Å²	69.3	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-45.2	177.1	-177.8	55.2	-150.7	0	0	112.1	A304 T305 A306 I310 K311 R312	A304-E308 PolarHBondContact O-N 2.87Å; T305-E308 PolarHBondContact O-N 3.49Å; A306-E308 VanDerWaalsContact C-N 3.34Å; A306-E308 PolarHBondContact O-N 3.31Å; E308-I310 VanDerWaalsContact C-N 3.28Å; E308-I310 PolarHBondContact O-N 3Å; E308-K311 PolarHBondContact O-N 3.26Å; E308-R312 VanDerWaalsContact O-CB 3.29Å; E308-R312 WeakPolarHBondContact O-CB 3.31Å; E308-R312 PolarHBondContact O-N 3.24Å
309	L	96.8	Very high	95.9	Very high	32 Å²	32	63.9 Å²	63.9	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-40	174.9	-74.2	172.4	0	0	0	112	A296 L297 T305 A306 H313 L315	A296-L309 HydrophobicContact CB-CD1 4.21Å; L297-L309 HydrophobicContact CB-CD1 4.21Å; L297-L309 HydrophobicContact CD1-CD1 4.48Å; T305-L309 HydrophobicContact CG2-CD1 4.44Å; T305-L309 WeakPolarHBondContact O-CG 3.32Å; T305-L309 PolarHBondContact O-N 2.98Å; A306-L309 PolarHBondContact O-N 3.46Å; L309-H313 PolarHBondContact O-N 3.24Å; L309-H313 VanDerWaalsContact O-N 3.12Å; L309-L315 HydrophobicContact CB-CD1 4.41Å
310	I	97.3	Very high	96.1	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-50.1	177.3	-72.2	162	0	0	0	110.7	L297 A306 A307 E308 R314 L315 V320 V330 A333 L334	L297-I310 HydrophobicContact CD2-CG1 4.2Å; A306-I310 WeakPolarHBondContact O-CD1 3.44Å; A306-I310 WeakPolarHBondContact O-CG1 3.42Å; A306-I310 PolarHBondContact O-N 3.1Å; A307-I310 WeakPolarHBondContact O-CB 3.42Å; A307-I310 PolarHBondContact O-N 3.15Å; E308-I310 VanDerWaalsContact C-N 3.28Å; E308-I310 PolarHBondContact O-N 3Å; I310-R314 WeakPolarHBondContact O-CA 3.22Å; I310-R314 PolarHBondContact O-N 3.14Å; I310-L315 HydrophobicContact CG1-CB 4.22Å; I310-L315 PolarHBondContact O-N 2.78Å; I310-V320 HydrophobicContact CD1-CG2 3.8Å; I310-V320 HydrophobicContact CG1-CG2 4.34Å; I310-V330 HydrophobicContact CD1-CG1 3.75Å; I310-A333 HydrophobicContact CB-CB 4.16Å; I310-A333 HydrophobicContact CG2-CB 3.87Å; I310-L334 HydrophobicContact CD1-CD2 4.29Å; I310-L334 HydrophobicContact CD1-CG 4.25Å; I310-L334 HydrophobicContact CG2-CD2 3.86Å; I310-L334 HydrophobicContact CG2-CG 4.23Å
311	K	96.4	Very high	96.1	Very high	91 Å²	91	61.8 Å²	61.8	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-51.7	179.9	-66.9	-174.6	-169	-154.7	0	111.5	A307 E308 H313 R314 A333 E336	A307-K311 WeakPolarHBondContact O-CG 3.15Å; A307-K311 PolarHBondContact O-N 3.07Å; E308-K311 PolarHBondContact O-N 3.26Å; K311-H313 VanDerWaalsContact C-N 3.35Å; K311-H313 PolarHBondContact O-N 3.33Å; K311-R314 PolarHBondContact O-N 3.41Å; K311-A333 HydrophobicContact CD-CB 4.45Å; K311-A333 HydrophobicContact CG-CB 3.88Å; K311-E336 VanDerWaalsContact CE-OE1 3.22Å; K311-E336 WeakPolarHBondContact CE-OE1 3.43Å; K311-E336 IonicContact NZ-OE1 3.4Å; K311-E336 PolarHBondContact NZ-OE1 2.95Å; K311-E336 IonicContact NZ-OE2 3.98Å
312	R	94.7	Very high	96	Very high	184 Å²	184	58.5 Å²	58.5	69%	0.694	29%	0.288	S	S	*	.	H	α-helix	trans	-60.8	-40.4	-175.3	-175.9	174.1	179.2	161.5	-1.2	113.1	E308	E308-R312 VanDerWaalsContact O-CB 3.29Å; E308-R312 WeakPolarHBondContact O-CB 3.31Å; E308-R312 PolarHBondContact O-N 3.24Å
313	H	94	Very high	96	Very high	31 Å²	31	59.5 Å²	59.5	14%	0.144	30%	0.299	C	S	.	.	H	α-helix	trans	-107.8	5.9	-174.4	-61.6	-80.8	0	0	0	114.1	A293 L309 K311 L315	A293-H313 HydrophobicContact CB-CB 3.8Å; A293-H313 WeakPolarHBondContact CB-CD2 3.28Å; L309-H313 PolarHBondContact O-N 3.24Å; L309-H313 VanDerWaalsContact O-N 3.12Å; K311-H313 VanDerWaalsContact C-N 3.35Å; K311-H313 PolarHBondContact O-N 3.33Å; H313-L315 VanDerWaalsContact C-N 3.29Å; H313-L315 HydrophobicContact CB-CD1 4.44Å; H313-L315 HydrophobicContact CB-CD2 3.92Å; H313-L315 HydrophobicContact CB-CG 3.93Å; H313-L315 PolarHBondContact O-N 2.92Å
314	R	94.3	Very high	95.9	Very high	162 Å²	162	57 Å²	57	61%	0.611	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	47.7	-176.5	-55.4	-176.1	-175.7	-179.1	0.3	112	I310 K311	I310-R314 WeakPolarHBondContact O-CA 3.22Å; I310-R314 PolarHBondContact O-N 3.14Å; K311-R314 PolarHBondContact O-N 3.41Å
315	L	95.9	Very high	95.8	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	27%	0.273	C	S	.	.			trans	-74.5	152.3	179.2	-53.8	178.7	0	0	0	109.8	L290 A293 V294 L297 L309 I310 H313 H319	L290-L315 HydrophobicContact CD1-CD2 3.53Å; A293-L315 HydrophobicContact CB-CD1 4.41Å; V294-L315 HydrophobicContact CG2-CD2 3.79Å; L297-L315 HydrophobicContact CB-CD1 4.14Å; L297-L315 HydrophobicContact CD2-CB 4.34Å; L297-L315 HydrophobicContact CD2-CD1 3.51Å; L297-L315 HydrophobicContact CG-CD1 4.42Å; L309-L315 HydrophobicContact CB-CD1 4.41Å; I310-L315 HydrophobicContact CG1-CB 4.22Å; I310-L315 PolarHBondContact O-N 2.78Å; H313-L315 VanDerWaalsContact C-N 3.29Å; H313-L315 HydrophobicContact CB-CD1 4.44Å; H313-L315 HydrophobicContact CB-CD2 3.92Å; H313-L315 HydrophobicContact CB-CG 3.93Å; H313-L315 PolarHBondContact O-N 2.92Å; L315-H319 HydrophobicContact CB-CB 4.31Å
316	V	95.9	Very high	95.6	Very high	19 Å²	19	60.8 Å²	60.8	12%	0.115	29%	0.287	C	S	.	.			trans	-111.8	169.3	-179.2	-63.9	0	0	0	0	110.7	Y215 K219 E318 H319	Y215-V316 HydrophobicContact CE2-CG1 4.14Å; Y215-V316 HydrophobicContact CE2-CG2 4.43Å; K219-V316 HydrophobicContact CB-CG2 4.48Å; K219-V316 HydrophobicContact CD-CG2 3.82Å; K219-V316 HydrophobicContact CG-CG2 3.93Å; V316-E318 HydrophobicContact CG2-CB 4.33Å; V316-E318 WeakPolarHBondContact CG2-OE2 3.38Å; V316-E318 PolarHBondContact O-N 3.46Å; V316-H319 PolarHBondContact N-ND1 3.22Å; V316-H319 WeakPolarHBondContact O-CB 3.34Å; V316-H319 PolarHBondContact O-N 3.26Å
317	R	94.9	Very high	95.5	Very high	80 Å²	80	61.2 Å²	61.2	30%	0.302	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-47.4	-39.5	-179.8	-170.1	-172.1	70.3	159.5	8.8	113.6	H319 V320 L325 W331 L334 R345	R317-H319 PolarHBondContact O-N 3.21Å; R317-V320 PolarHBondContact O-N 3.07Å; R317-V320 VanDerWaalsContact O-N 3.08Å; R317-L325 HydrophobicContact CG-CD1 4.47Å; R317-L325 HydrophobicContact CG-CD2 3.78Å; R317-W331 HydrophobicContact CG-CH2 4.11Å; R317-W331 HydrophobicContact CG-CZ2 4.4Å; R317-L334 HydrophobicContact CB-CD1 4.31Å; R317-R345 VanDerWaalsContact NH2-NH2 3.15Å
318	E	94.4	Very high	95.4	Very high	70 Å²	70	66.8 Å²	66.8	33%	0.327	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-63.5	-18.7	179.6	-70.5	69.4	-149.6	0	0	114.3	K219 V316	K219-E318 HydrophobicContact CG-CB 4.07Å; K219-E318 HydrophobicContact CG-CG 4.18Å; K219-E318 WeakPolarHBondContact O-CB 3.4Å; V316-E318 HydrophobicContact CG2-CB 4.33Å; V316-E318 WeakPolarHBondContact CG2-OE2 3.38Å; V316-E318 PolarHBondContact O-N 3.46Å
319	H	96.2	Very high	95.3	Very high	5 Å²	5	65.6 Å²	65.6	2%	0.023	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-87.4	-16.7	174.8	-56.1	143.8	0	0	0	113.2	T218 K219 L297 L315 V316 R317	T218-H319 WeakPolarHBondContact CB-NE2 3.48Å; T218-H319 PolarHBondContact OG1-NE2 2.9Å; T218-H319 VanDerWaalsContact OG1-NE2 3.1Å; K219-H319 PolarHBondContact N-NE2 3.26Å; L297-H319 HydrophobicContact CD2-CB 3.98Å; L315-H319 HydrophobicContact CB-CB 4.31Å; V316-H319 PolarHBondContact N-ND1 3.22Å; V316-H319 WeakPolarHBondContact O-CB 3.34Å; V316-H319 PolarHBondContact O-N 3.26Å; R317-H319 PolarHBondContact O-N 3.21Å
320	V	96.5	Very high	95.3	Very high	11 Å²	11	64.1 Å²	64.1	7%	0.067	30%	0.298	C	S	.	.	S	Bend	trans	-84.4	127	-171.3	-177	0	0	0	0	110.4	L297 I310 R317 L324 L325 V330 L334	L297-V320 HydrophobicContact CD2-CG2 4.16Å; I310-V320 HydrophobicContact CD1-CG2 3.8Å; I310-V320 HydrophobicContact CG1-CG2 4.34Å; R317-V320 PolarHBondContact O-N 3.07Å; R317-V320 VanDerWaalsContact O-N 3.08Å; V320-L324 HydrophobicContact CG1-CB 3.78Å; V320-L325 HydrophobicContact CB-CD2 3.82Å; V320-L325 HydrophobicContact CB-CG 4.38Å; V320-L325 HydrophobicContact CG1-CD2 3.72Å; V320-L325 HydrophobicContact CG1-CG 4.06Å; V320-V330 HydrophobicContact CG1-CG1 3.82Å; V320-V330 HydrophobicContact CG2-CG1 4.43Å; V320-L334 HydrophobicContact CG2-CD1 4.3Å; V320-L334 HydrophobicContact CG2-CD2 4.21Å
321	P	95.6	Very high	95.3	Very high	28 Å²	28	64.1 Å²	64.1	18%	0.182	30%	0.298	C	S	.	.			trans	-52.9	138.5	170.2	-27.7	33.8	0	0	0	112.9	L297 P323 L324	L297-P321 WeakPolarHBondContact O-CD 3.45Å; L297-P321 VanDerWaalsContact O-CG 3.24Å; L297-P321 WeakPolarHBondContact O-CG 3.48Å; P321-P323 VanDerWaalsContact C-CD 3.4Å; P321-P323 VanDerWaalsContact C-N 3.34Å; P321-L324 HydrophobicContact CB-CD1 4.33Å; P321-L324 HydrophobicContact CG-CD1 4.14Å; P321-L324 PolarHBondContact O-N 3.13Å
322	T	93.8	Very high	95.3	Very high	114 Å²	114	63 Å²	63	70%	0.699	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-52.3	-39.9	-176.6	-52.3	0	0	0	0	115.1	L324 L325	T322-L324 VanDerWaalsContact C-N 3.29Å; T322-L324 PolarHBondContact O-N 3.14Å; T322-L325 WeakPolarHBondContact O-CB 3.32Å; T322-L325 PolarHBondContact O-N 3.31Å
323	P	94.5	Very high	95.4	Very high	102 Å²	102	54.4 Å²	54.4	66%	0.662	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-59.4	-38.5	177.6	-26	36.5	0	0	0	113.5	P321 L325 K326	P321-P323 VanDerWaalsContact C-CD 3.4Å; P321-P323 VanDerWaalsContact C-N 3.34Å; P323-L325 VanDerWaalsContact C-N 3.25Å; P323-L325 PolarHBondContact O-N 3.4Å; P323-K326 PolarHBondContact O-N 3.24Å
324	L	96.1	Very high	95.5	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-72.8	-16.6	-178.8	-64.8	177	0	0	0	112.8	D303 A306 V320 P321 T322 K326 S327 V330	D303-L324 WeakPolarHBondContact OD1-CD2 3.46Å; A306-L324 HydrophobicContact CB-CD1 3.72Å; V320-L324 HydrophobicContact CG1-CB 3.78Å; P321-L324 HydrophobicContact CB-CD1 4.33Å; P321-L324 HydrophobicContact CG-CD1 4.14Å; P321-L324 PolarHBondContact O-N 3.13Å; T322-L324 VanDerWaalsContact C-N 3.29Å; T322-L324 PolarHBondContact O-N 3.14Å; L324-K326 PolarHBondContact O-N 2.84Å; L324-K326 VanDerWaalsContact O-N 3.11Å; L324-S327 VanDerWaalsContact O-CB 3.3Å; L324-S327 WeakPolarHBondContact O-CB 3.44Å; L324-S327 PolarHBondContact O-N 3.48Å; L324-V330 HydrophobicContact CB-CG2 4.32Å
325	L	94.3	Very high	95.6	Very high	37 Å²	37	46.4 Å²	46.4	19%	0.194	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-71.7	1.8	175.6	-65.8	177.1	0	0	0	114	R317 V320 T322 P323 W331 L334	R317-L325 HydrophobicContact CG-CD1 4.47Å; R317-L325 HydrophobicContact CG-CD2 3.78Å; V320-L325 HydrophobicContact CB-CD2 3.82Å; V320-L325 HydrophobicContact CB-CG 4.38Å; V320-L325 HydrophobicContact CG1-CD2 3.72Å; V320-L325 HydrophobicContact CG1-CG 4.06Å; T322-L325 WeakPolarHBondContact O-CB 3.32Å; T322-L325 PolarHBondContact O-N 3.31Å; P323-L325 VanDerWaalsContact C-N 3.25Å; P323-L325 PolarHBondContact O-N 3.4Å; L325-W331 HydrophobicContact CD2-CZ2 4.1Å; L325-W331 PolarHBondContact O-NE1 2.79Å; L325-L334 HydrophobicContact CD2-CD1 4.49Å
326	K	92.9	Very high	95.5	Very high	169 Å²	169	50.6 Å²	50.6	74%	0.735	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-93.2	-14.6	167.8	-62.5	-179.9	-177.8	178.4	0	112.6	P323 L324	P323-K326 PolarHBondContact O-N 3.24Å; L324-K326 PolarHBondContact O-N 2.84Å; L324-K326 VanDerWaalsContact O-N 3.11Å
327	S	95.6	Very high	95.2	Very high	10 Å²	10	55.8 Å²	55.8	7%	0.07	28%	0.275	C	S	.	.			trans	-78	130.5	-174.8	179.4	0	0	0	0	112.2	D303 L324 L329 W331	D303-S327 VanDerWaalsContact CG-CB 3.43Å; D303-S327 WeakPolarHBondContact OD2-CB 3.45Å; D303-S327 PolarHBondContact OD2-OG 2.76Å; L324-S327 VanDerWaalsContact O-CB 3.3Å; L324-S327 WeakPolarHBondContact O-CB 3.44Å; L324-S327 PolarHBondContact O-N 3.48Å; S327-L329 PolarHBondContact OG-N 2.8Å; S327-W331 VanDerWaalsContact O-CD1 3.26Å; S327-W331 PolarHBondContact O-N 3.38Å
328	R	95.7	Very high	95	Very high	128 Å²	128	52.7 Å²	52.7	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-44.4	172.2	177.8	174.3	173	147.4	4.4	111.7	V330 W331 E332 G354 I355	R328-V330 VanDerWaalsContact C-N 3.31Å; R328-V330 PolarHBondContact O-N 3.33Å; R328-W331 PolarHBondContact O-N 2.88Å; R328-W331 VanDerWaalsContact O-N 3.16Å; R328-E332 HydrophobicContact CG-CG 4.32Å; R328-E332 IonicContact CZ-OE1 3.58Å; R328-E332 IonicContact NE-OE1 3.57Å; R328-E332 PolarHBondContact NE-OE1 3.41Å; R328-E332 IonicContact NH2-OE1 3.81Å; R328-E332 PolarHBondContact NH2-OE1 3.38Å; R328-E332 WeakPolarHBondContact O-CG 3.48Å; R328-E332 PolarHBondContact O-N 3.47Å; R328-G354 PolarHBondContact NH1-O 2.95Å; R328-I355 HydrophobicContact CG-CD1 4.38Å; R328-I355 HydrophobicContact CG-CG1 3.86Å
329	L	96.1	Very high	94.7	Very high	88 Å²	88	52 Å²	52	46%	0.461	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-41.5	-178.5	-67.6	175.4	0	0	0	112.1	D303 S327 E332 A333	D303-L329 HydrophobicContact CB-CD1 4.32Å; S327-L329 PolarHBondContact OG-N 2.8Å; L329-E332 PolarHBondContact O-N 2.64Å; L329-A333 PolarHBondContact O-N 3.04Å
330	V	97.2	Very high	94.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-42.8	177.3	171.3	0	0	0	0	111.2	A306 I310 V320 L324 R328 A333 L334	A306-V330 HydrophobicContact CB-CG2 4.18Å; I310-V330 HydrophobicContact CD1-CG1 3.75Å; V320-V330 HydrophobicContact CG1-CG1 3.82Å; V320-V330 HydrophobicContact CG2-CG1 4.43Å; L324-V330 HydrophobicContact CB-CG2 4.32Å; R328-V330 VanDerWaalsContact C-N 3.31Å; R328-V330 PolarHBondContact O-N 3.33Å; V330-A333 PolarHBondContact O-N 3.38Å; V330-L334 HydrophobicContact CG1-CD1 4.23Å; V330-L334 VanDerWaalsContact O-CG 3.3Å; V330-L334 WeakPolarHBondContact O-CG 3.22Å; V330-L334 PolarHBondContact O-N 2.81Å
331	W	96.6	Very high	93.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-71	-33.3	177.6	-82.4	102.4	0	0	0	113.4	R317 L325 S327 R328 L334 L335 M338 C346 R349 L350 V353 I355	R317-W331 HydrophobicContact CG-CH2 4.11Å; R317-W331 HydrophobicContact CG-CZ2 4.4Å; L325-W331 HydrophobicContact CD2-CZ2 4.1Å; L325-W331 PolarHBondContact O-NE1 2.79Å; S327-W331 VanDerWaalsContact O-CD1 3.26Å; S327-W331 PolarHBondContact O-N 3.38Å; R328-W331 PolarHBondContact O-N 2.88Å; R328-W331 VanDerWaalsContact O-N 3.16Å; W331-L334 HydrophobicContact CD2-CD1 4.26Å; W331-L334 HydrophobicContact CE3-CD1 4.15Å; W331-L334 HydrophobicContact CZ3-CD1 4.44Å; W331-L334 PolarHBondContact O-N 2.93Å; W331-L335 WeakPolarHBondContact O-CB 3.38Å; W331-L335 PolarHBondContact O-N 3.27Å; W331-M338 HydrophobicContact CE3-CE 4.14Å; W331-M338 HydrophobicContact CZ3-CE 3.89Å; W331-C346 HydrophobicContact CH2-CB 4.08Å; W331-C346 HydrophobicContact CZ3-CB 3.68Å; W331-R349 HydrophobicContact CD2-CG 4.05Å; W331-R349 HydrophobicContact CE3-CG 4.46Å; W331-R349 HydrophobicContact CH2-CB 4.27Å; W331-R349 HydrophobicContact CH2-CG 3.74Å; W331-R349 HydrophobicContact CZ2-CB 4.27Å; W331-R349 HydrophobicContact CZ2-CG 3.28Å; W331-R349 HydrophobicContact CZ3-CG 4.31Å; W331-L350 HydrophobicContact CB-CD2 4.34Å; W331-L350 HydrophobicContact CD2-CD2 4.48Å; W331-L350 HydrophobicContact CE3-CD2 3.83Å; W331-V353 HydrophobicContact CB-CG2 4.05Å; W331-V353 HydrophobicContact CG-CG2 4.17Å; W331-I355 HydrophobicContact CB-CD1 3.32Å
332	E	96.3	Very high	93.4	Very high	67 Å²	67	55.7 Å²	55.7	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-47.3	171.4	-73.7	175.1	173.4	0	0	110.1	R328 L329 L334 L335 E336 I355	R328-E332 HydrophobicContact CG-CG 4.32Å; R328-E332 IonicContact CZ-OE1 3.58Å; R328-E332 IonicContact NE-OE1 3.57Å; R328-E332 PolarHBondContact NE-OE1 3.41Å; R328-E332 IonicContact NH2-OE1 3.81Å; R328-E332 PolarHBondContact NH2-OE1 3.38Å; R328-E332 WeakPolarHBondContact O-CG 3.48Å; R328-E332 PolarHBondContact O-N 3.47Å; L329-E332 PolarHBondContact O-N 2.64Å; E332-L334 PolarHBondContact O-N 3.22Å; E332-L335 PolarHBondContact O-N 2.95Å; E332-E336 PolarHBondContact O-N 3.24Å; E332-I355 HydrophobicContact CB-CD1 4.41Å; E332-I355 HydrophobicContact CG-CD1 3.62Å; E332-I355 HydrophobicContact CG-CG1 3.77Å
333	A	96.8	Very high	93.4	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-39.6	175.4	0	0	0	0	0	113.3	A307 I310 K311 L329 V330	A307-A333 HydrophobicContact CB-CB 3.88Å; I310-A333 HydrophobicContact CB-CB 4.16Å; I310-A333 HydrophobicContact CG2-CB 3.87Å; K311-A333 HydrophobicContact CD-CB 4.45Å; K311-A333 HydrophobicContact CG-CB 3.88Å; L329-A333 PolarHBondContact O-N 3.04Å; V330-A333 PolarHBondContact O-N 3.38Å
334	L	96.9	Very high	93.2	Very high	7 Å²	7	46 Å²	46	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-37.4	176.2	-74.6	171.5	0	0	0	112.4	I310 R317 V320 L325 V330 W331 E332 M338	I310-L334 HydrophobicContact CD1-CD2 4.29Å; I310-L334 HydrophobicContact CD1-CG 4.25Å; I310-L334 HydrophobicContact CG2-CD2 3.86Å; I310-L334 HydrophobicContact CG2-CG 4.23Å; R317-L334 HydrophobicContact CB-CD1 4.31Å; V320-L334 HydrophobicContact CG2-CD1 4.3Å; V320-L334 HydrophobicContact CG2-CD2 4.21Å; L325-L334 HydrophobicContact CD2-CD1 4.49Å; V330-L334 HydrophobicContact CG1-CD1 4.23Å; V330-L334 VanDerWaalsContact O-CG 3.3Å; V330-L334 WeakPolarHBondContact O-CG 3.22Å; V330-L334 PolarHBondContact O-N 2.81Å; W331-L334 HydrophobicContact CD2-CD1 4.26Å; W331-L334 HydrophobicContact CE3-CD1 4.15Å; W331-L334 HydrophobicContact CZ3-CD1 4.44Å; W331-L334 PolarHBondContact O-N 2.93Å; E332-L334 PolarHBondContact O-N 3.22Å; L334-M338 HydrophobicContact CB-CE 3.82Å; L334-M338 WeakPolarHBondContact O-CB 3.46Å; L334-M338 PolarHBondContact O-N 3.28Å
335	L	95.3	Very high	92.8	Very high	17 Å²	17	53.2 Å²	53.2	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-34.4	-173.9	-178.3	58.8	0	0	0	112.7	W331 E332 E337 M338 M343 L350 I355 A362 I366 R369	W331-L335 WeakPolarHBondContact O-CB 3.38Å; W331-L335 PolarHBondContact O-N 3.27Å; E332-L335 PolarHBondContact O-N 2.95Å; L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 3.09Å; L335-M338 PolarHBondContact O-N 3.14Å; L335-M343 HydrophobicContact CD1-CG 4.38Å; L335-L350 HydrophobicContact CD1-CD1 3.91Å; L335-L350 HydrophobicContact CD2-CD1 4.39Å; L335-L350 HydrophobicContact CD2-CD2 4.36Å; L335-I355 HydrophobicContact CD2-CG2 3.96Å; L335-A362 HydrophobicContact CD2-CB 3.89Å; L335-I366 HydrophobicContact CD1-CD1 4.38Å; L335-I366 HydrophobicContact CD2-CD1 4.49Å; L335-R369 PolarHBondContact O-NH1 2.92Å
336	E	93.3	Very high	92.7	Very high	96 Å²	96	51.7 Å²	51.7	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-48.9	-53.1	-177.8	-72.3	178.9	-162.9	0	0	111.5	K311 E332 R369	K311-E336 VanDerWaalsContact CE-OE1 3.22Å; K311-E336 WeakPolarHBondContact CE-OE1 3.43Å; K311-E336 IonicContact NZ-OE1 3.4Å; K311-E336 PolarHBondContact NZ-OE1 2.95Å; K311-E336 IonicContact NZ-OE2 3.98Å; E332-E336 PolarHBondContact O-N 3.24Å; E336-R369 PolarHBondContact O-NH2 3.3Å
337	E	89.5	Confident	92.7	Very high	127 Å²	127	43.7 Å²	43.7	59%	0.593	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	17.6	-177.2	-65.2	-67.5	150	0	0	113.2	L335 P339	L335-E337 VanDerWaalsContact C-N 3.33Å; L335-E337 PolarHBondContact O-N 3.09Å; E337-P339 WeakPolarHBondContact O-CD 3.38Å
338	M	92	Very high	92.5	Very high	16 Å²	16	45 Å²	45	8%	0.079	22%	0.219	C	C	.	.			trans	-66.3	125.4	-175.4	-166.3	168.6	-66	0	0	111.6	W331 L334 L335 A342 M343 C346	W331-M338 HydrophobicContact CE3-CE 4.14Å; W331-M338 HydrophobicContact CZ3-CE 3.89Å; L334-M338 HydrophobicContact CB-CE 3.82Å; L334-M338 WeakPolarHBondContact O-CB 3.46Å; L334-M338 PolarHBondContact O-N 3.28Å; L335-M338 PolarHBondContact O-N 3.14Å; M338-A342 HydrophobicContact CG-CB 3.84Å; M338-A342 HydrophobicContact SD-CB 4.33Å; M338-M343 HydrophobicContact CG-CB 4.2Å; M338-M343 WeakPolarHBondContact SD-CA 3.48Å; M338-M343 HydrophobicContact SD-CB 4.06Å; M338-M343 PolarHBondContact SD-N 3.07Å; M338-C346 HydrophobicContact SD-CB 4.26Å
339	P	87.7	Confident	92.3	Very high	55 Å²	55	42.1 Å²	42.1	36%	0.357	21%	0.208	S	C	.	.			trans	-59.4	145.3	172.7	-24.2	34.3	0	0	0	111.8	E337 T341 A342 M343	E337-P339 WeakPolarHBondContact O-CD 3.38Å; P339-T341 PolarHBondContact O-N 3.3Å; P339-A342 HydrophobicContact CB-CB 4.43Å; P339-A342 WeakPolarHBondContact O-CA 3.46Å; P339-A342 WeakPolarHBondContact O-CB 3.44Å; P339-A342 PolarHBondContact O-N 2.95Å; P339-M343 PolarHBondContact O-N 3.5Å
340	F	87.9	Confident	92.2	Very high	13 Å²	13	38 Å²	38	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-51.4	-48.7	-173.1	-165.7	-86.9	0	0	0	114.2	A342 M343 L344 R369 L370 H375 L376 V381 L386	F340-A342 VanDerWaalsContact C-N 3.3Å; F340-A342 PolarHBondContact O-N 2.89Å; F340-M343 HydrophobicContact CD2-CE 3.96Å; F340-M343 HydrophobicContact CE2-CE 3.85Å; F340-M343 HydrophobicContact CG-CE 4.45Å; F340-M343 HydrophobicContact CZ-CE 4.25Å; F340-M343 WeakPolarHBondContact O-CB 3.31Å; F340-M343 PolarHBondContact O-N 3.16Å; F340-L344 HydrophobicContact CD1-CD1 4.06Å; F340-L344 HydrophobicContact CD1-CG 4.14Å; F340-L344 HydrophobicContact CE1-CD1 3.8Å; F340-L344 HydrophobicContact CE1-CD2 4.07Å; F340-L344 HydrophobicContact CE1-CG 3.95Å; F340-L344 WeakPolarHBondContact O-CG 3.2Å; F340-L344 PolarHBondContact O-N 2.93Å; F340-R369 HydrophobicContact CE2-CB 4.21Å; F340-R369 WeakPolarHBondContact CE2-O 3.26Å; F340-L370 HydrophobicContact CZ-CD2 3.82Å; F340-H375 AromaticContact CD2-CD2 3.9Å; F340-L376 HydrophobicContact CE1-CD2 3.56Å; F340-L376 HydrophobicContact CE2-CD2 4.07Å; F340-L376 HydrophobicContact CZ-CD2 3.29Å; F340-L376 HydrophobicContact CZ-CG 4.38Å; F340-V381 HydrophobicContact CD1-CB 4.48Å; F340-V381 HydrophobicContact CD1-CG1 4.23Å; F340-V381 HydrophobicContact CD1-CG2 3.47Å; F340-V381 VanDerWaalsContact CD1-CG2 3.47Å; F340-V381 HydrophobicContact CE1-CB 4.37Å; F340-V381 HydrophobicContact CE1-CG1 3.95Å; F340-V381 HydrophobicContact CE1-CG2 3.73Å; F340-V381 HydrophobicContact CG-CG2 4.28Å; F340-L386 HydrophobicContact CE1-CD2 4.25Å
341	T	84.3	Confident	92	Very high	80 Å²	80	38.7 Å²	38.7	49%	0.491	19%	0.191	S	C	.	.	H	α-helix	trans	-67.3	-29.7	179.5	54.6	0	0	0	0	113	P339 R345	P339-T341 PolarHBondContact O-N 3.3Å; T341-R345 WeakPolarHBondContact O-CD 3.19Å; T341-R345 WeakPolarHBondContact O-CG 3.28Å; T341-R345 PolarHBondContact O-N 3.29Å
342	A	89.4	Confident	91.8	Very high	29 Å²	29	41.2 Å²	41.2	24%	0.24	21%	0.207	C	C	.	.	H	α-helix	trans	-72.6	-38.1	173.3	0	0	0	0	0	111.2	M338 P339 F340 R345 C346	M338-A342 HydrophobicContact CG-CB 3.84Å; M338-A342 HydrophobicContact SD-CB 4.33Å; P339-A342 HydrophobicContact CB-CB 4.43Å; P339-A342 WeakPolarHBondContact O-CA 3.46Å; P339-A342 WeakPolarHBondContact O-CB 3.44Å; P339-A342 PolarHBondContact O-N 2.95Å; F340-A342 VanDerWaalsContact C-N 3.3Å; F340-A342 PolarHBondContact O-N 2.89Å; A342-R345 PolarHBondContact O-N 3.25Å; A342-C346 WeakPolarHBondContact O-CB 3.39Å; A342-C346 PolarHBondContact O-N 3.22Å; A342-C346 PolarHBondContact O-SG 3.21Å
343	M	93.4	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-51.1	174.3	-179.8	-166.1	76.8	0	0	111.1	L335 M338 P339 F340 R345 C346 L347 I366 R369	L335-M343 HydrophobicContact CD1-CG 4.38Å; M338-M343 HydrophobicContact CG-CB 4.2Å; M338-M343 WeakPolarHBondContact SD-CA 3.48Å; M338-M343 HydrophobicContact SD-CB 4.06Å; M338-M343 PolarHBondContact SD-N 3.07Å; P339-M343 PolarHBondContact O-N 3.5Å; F340-M343 HydrophobicContact CD2-CE 3.96Å; F340-M343 HydrophobicContact CE2-CE 3.85Å; F340-M343 HydrophobicContact CG-CE 4.45Å; F340-M343 HydrophobicContact CZ-CE 4.25Å; F340-M343 WeakPolarHBondContact O-CB 3.31Å; F340-M343 PolarHBondContact O-N 3.16Å; M343-R345 VanDerWaalsContact C-N 3.26Å; M343-R345 PolarHBondContact O-N 3.25Å; M343-C346 PolarHBondContact O-N 3.33Å; M343-L347 HydrophobicContact CG-CD2 4.39Å; M343-L347 WeakPolarHBondContact O-CG 3.19Å; M343-L347 PolarHBondContact O-N 3.39Å; M343-I366 HydrophobicContact CE-CG2 4.29Å; M343-I366 HydrophobicContact CG-CG1 4.33Å; M343-I366 HydrophobicContact SD-CB 4.41Å; M343-I366 HydrophobicContact SD-CG1 3.83Å; M343-I366 HydrophobicContact SD-CG2 4.27Å; M343-R369 HydrophobicContact CE-CB 4.48Å
344	L	90.7	Very high	91.4	Very high	12 Å²	12	40 Å²	40	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-52.9	-43.8	177	-67.2	-176.9	0	0	0	112.6	F340 C346 L370 V381 L386 A389 L455	F340-L344 HydrophobicContact CD1-CD1 4.06Å; F340-L344 HydrophobicContact CD1-CG 4.14Å; F340-L344 HydrophobicContact CE1-CD1 3.8Å; F340-L344 HydrophobicContact CE1-CD2 4.07Å; F340-L344 HydrophobicContact CE1-CG 3.95Å; F340-L344 WeakPolarHBondContact O-CG 3.2Å; F340-L344 PolarHBondContact O-N 2.93Å; L344-C346 VanDerWaalsContact C-N 3.25Å; L344-C346 PolarHBondContact O-N 3.09Å; L344-L370 HydrophobicContact CD2-CD2 3.94Å; L344-V381 HydrophobicContact CD1-CG1 4.15Å; L344-L386 HydrophobicContact CD1-CD2 3.89Å; L344-L386 HydrophobicContact CD1-CG 4.46Å; L344-L386 HydrophobicContact CD2-CD2 4.12Å; L344-A389 HydrophobicContact CB-CB 4.11Å; L344-A389 HydrophobicContact CD2-CB 4.3Å; L344-L455 HydrophobicContact CD2-CD2 3.56Å
345	R	87	Confident	91.3	Very high	159 Å²	159	40 Å²	40	60%	0.6	21%	0.208	S	C	*	.	H	α-helix	trans	-71.1	-16.3	179.7	-75.3	166.1	35.7	119.7	-2.4	114.4	R317 T341 A342 M343 N348	R317-R345 VanDerWaalsContact NH2-NH2 3.15Å; T341-R345 WeakPolarHBondContact O-CD 3.19Å; T341-R345 WeakPolarHBondContact O-CG 3.28Å; T341-R345 PolarHBondContact O-N 3.29Å; A342-R345 PolarHBondContact O-N 3.25Å; M343-R345 VanDerWaalsContact C-N 3.26Å; M343-R345 PolarHBondContact O-N 3.25Å; R345-N348 PolarHBondContact O-OD1 3.05Å
346	C	92.3	Very high	91.2	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.027	21%	0.205	C	C	.	.	H	α-helix	trans	-111.1	1.1	-174	-62.3	0	0	0	0	113.4	W331 M338 A342 M343 L344 N348 R349 L350	W331-C346 HydrophobicContact CH2-CB 4.08Å; W331-C346 HydrophobicContact CZ3-CB 3.68Å; M338-C346 HydrophobicContact SD-CB 4.26Å; A342-C346 WeakPolarHBondContact O-CB 3.39Å; A342-C346 PolarHBondContact O-N 3.22Å; A342-C346 PolarHBondContact O-SG 3.21Å; M343-C346 PolarHBondContact O-N 3.33Å; L344-C346 VanDerWaalsContact C-N 3.25Å; L344-C346 PolarHBondContact O-N 3.09Å; C346-N348 VanDerWaalsContact C-N 3.29Å; C346-N348 PolarHBondContact O-N 3.42Å; C346-R349 WeakPolarHBondContact O-CA 3.21Å; C346-R349 WeakPolarHBondContact O-CB 3.3Å; C346-R349 PolarHBondContact O-N 3.07Å; C346-L350 WeakPolarHBondContact O-CG 3.21Å; C346-L350 PolarHBondContact O-N 2.85Å
347	L	93.6	Very high	91.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-53.2	-46.1	-178.8	-65.2	178.4	0	0	0	112.4	M343 R349 L350 S351 L356 I366 Y393 V451 L455	M343-L347 HydrophobicContact CG-CD2 4.39Å; M343-L347 WeakPolarHBondContact O-CG 3.19Å; M343-L347 PolarHBondContact O-N 3.39Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.88Å; L347-L350 PolarHBondContact O-N 2.59Å; L347-S351 PolarHBondContact O-N 3.34Å; L347-S351 PolarHBondContact O-OG 2.78Å; L347-L356 HydrophobicContact CB-CD2 4.5Å; L347-L356 HydrophobicContact CD2-CD2 4.14Å; L347-I366 HydrophobicContact CD2-CD1 4.05Å; L347-I366 HydrophobicContact CD2-CG2 4.05Å; L347-Y393 HydrophobicContact CB-CD2 3.55Å; L347-Y393 HydrophobicContact CB-CE2 3.81Å; L347-Y393 HydrophobicContact CB-CG 4.11Å; L347-Y393 HydrophobicContact CD1-CG 4.36Å; L347-V451 HydrophobicContact CD1-CG1 4.2Å; L347-V451 HydrophobicContact CD2-CG1 4.46Å; L347-L455 HydrophobicContact CD1-CD1 3.67Å; L347-L455 HydrophobicContact CD1-CD2 4.12Å; L347-L455 HydrophobicContact CD1-CG 4.33Å
348	N	90.6	Very high	91.5	Very high	36 Å²	36	37 Å²	37	19%	0.193	20%	0.199	C	C	.	.	H	α-helix	trans	-55.3	-46.3	175	62.5	-22.7	0	0	0	112.1	R345 C346 S351 V352 W445	R345-N348 PolarHBondContact O-OD1 3.05Å; C346-N348 VanDerWaalsContact C-N 3.29Å; C346-N348 PolarHBondContact O-N 3.42Å; N348-S351 PolarHBondContact O-N 3.37Å; N348-V352 VanDerWaalsContact O-CG2 3.29Å; N348-V352 WeakPolarHBondContact O-CG2 3.29Å; N348-V352 PolarHBondContact O-N 3.33Å; N348-W445 HydrophobicContact CB-CD2 3.64Å; N348-W445 HydrophobicContact CB-CE3 3.72Å; N348-W445 HydrophobicContact CB-CG 4.41Å; N348-W445 HydrophobicContact CB-CH2 3.61Å; N348-W445 HydrophobicContact CB-CZ2 3.49Å; N348-W445 VanDerWaalsContact CB-CZ2 3.49Å; N348-W445 HydrophobicContact CB-CZ3 3.72Å
349	R	91.2	Very high	91.6	Very high	69 Å²	69	39.8 Å²	39.8	26%	0.26	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-40	179.6	180	56.9	67.7	-178.3	6.4	111.7	W331 C346 L347 S351 V352 V353 L443	W331-R349 HydrophobicContact CD2-CG 4.05Å; W331-R349 HydrophobicContact CE3-CG 4.46Å; W331-R349 HydrophobicContact CH2-CB 4.27Å; W331-R349 HydrophobicContact CH2-CG 3.74Å; W331-R349 HydrophobicContact CZ2-CB 4.27Å; W331-R349 HydrophobicContact CZ2-CG 3.28Å; W331-R349 HydrophobicContact CZ3-CG 4.31Å; C346-R349 WeakPolarHBondContact O-CA 3.21Å; C346-R349 WeakPolarHBondContact O-CB 3.3Å; C346-R349 PolarHBondContact O-N 3.07Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.88Å; R349-S351 VanDerWaalsContact C-N 3.28Å; R349-S351 PolarHBondContact O-N 3.16Å; R349-V352 PolarHBondContact O-N 2.78Å; R349-V353 WeakPolarHBondContact O-CG2 3.48Å; R349-V353 PolarHBondContact O-N 3.5Å; R349-L443 VanDerWaalsContact NH2-CD1 3.32Å
350	L	94.3	Very high	91.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-36.4	176.4	-66.2	171.6	0	0	0	111.7	W331 L335 C346 L347 G354 I355 L356 I366	W331-L350 HydrophobicContact CB-CD2 4.34Å; W331-L350 HydrophobicContact CD2-CD2 4.48Å; W331-L350 HydrophobicContact CE3-CD2 3.83Å; L335-L350 HydrophobicContact CD1-CD1 3.91Å; L335-L350 HydrophobicContact CD2-CD1 4.39Å; L335-L350 HydrophobicContact CD2-CD2 4.36Å; C346-L350 WeakPolarHBondContact O-CG 3.21Å; C346-L350 PolarHBondContact O-N 2.85Å; L347-L350 PolarHBondContact O-N 2.59Å; L350-G354 PolarHBondContact O-N 3.35Å; L350-I355 HydrophobicContact CD2-CB 4.49Å; L350-I355 HydrophobicContact CD2-CD1 4.01Å; L350-I355 HydrophobicContact CD2-CG2 4.4Å; L350-I355 PolarHBondContact O-N 3.44Å; L350-L356 HydrophobicContact CB-CB 3.92Å; L350-L356 HydrophobicContact CB-CD2 4.34Å; L350-L356 PolarHBondContact O-N 3.13Å; L350-I366 HydrophobicContact CD1-CD1 3.98Å
351	S	93.5	Very high	92.3	Very high	16 Å²	16	45.4 Å²	45.4	11%	0.112	25%	0.253	C	S	.	.	H	α-helix	trans	-69.2	-44.1	171.4	-59.2	0	0	0	0	112.1	L347 N348 R349 V353 G354 Y393	L347-S351 PolarHBondContact O-N 3.34Å; L347-S351 PolarHBondContact O-OG 2.78Å; N348-S351 PolarHBondContact O-N 3.37Å; R349-S351 VanDerWaalsContact C-N 3.28Å; R349-S351 PolarHBondContact O-N 3.16Å; S351-V353 VanDerWaalsContact C-N 3.31Å; S351-V353 PolarHBondContact O-N 3.1Å; S351-G354 PolarHBondContact O-N 3.44Å; S351-Y393 VanDerWaalsContact OG-CE2 3.32Å; S351-Y393 WeakPolarHBondContact OG-CE2 3.16Å; S351-Y393 PolarHBondContact OG-OH 2.95Å
352	V	91	Very high	92.8	Very high	56 Å²	56	42.2 Å²	42.2	34%	0.339	24%	0.235	S	C	.	.	H	α-helix	trans	-58.9	-40.2	178.5	170.8	0	0	0	0	112.2	N348 R349 G354 L443 E444 W445	N348-V352 VanDerWaalsContact O-CG2 3.29Å; N348-V352 WeakPolarHBondContact O-CG2 3.29Å; N348-V352 PolarHBondContact O-N 3.33Å; R349-V352 PolarHBondContact O-N 2.78Å; V352-G354 PolarHBondContact O-N 3.35Å; V352-L443 HydrophobicContact CG2-CD2 4.48Å; V352-E444 WeakPolarHBondContact CG2-O 3.12Å; V352-W445 HydrophobicContact CG2-CB 4Å
353	V	92.6	Very high	93.1	Very high	22 Å²	22	41 Å²	41	13%	0.133	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.8	178.7	-58.3	0	0	0	0	113.5	W331 R349 S351 I355	W331-V353 HydrophobicContact CB-CG2 4.05Å; W331-V353 HydrophobicContact CG-CG2 4.17Å; R349-V353 WeakPolarHBondContact O-CG2 3.48Å; R349-V353 PolarHBondContact O-N 3.5Å; S351-V353 VanDerWaalsContact C-N 3.31Å; S351-V353 PolarHBondContact O-N 3.1Å; V353-I355 VanDerWaalsContact C-N 3.34Å; V353-I355 HydrophobicContact CG2-CB 4.3Å; V353-I355 HydrophobicContact CG2-CD1 3.62Å; V353-I355 HydrophobicContact CG2-CG1 3.8Å; V353-I355 PolarHBondContact O-N 3.27Å
354	G	92.5	Very high	93.3	Very high	24 Å²	24	43.8 Å²	43.8	25%	0.247	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	17.4	176	0	0	0	0	0	115.3	R328 L350 S351 V352	R328-G354 PolarHBondContact NH1-O 2.95Å; L350-G354 PolarHBondContact O-N 3.35Å; S351-G354 PolarHBondContact O-N 3.44Å; V352-G354 PolarHBondContact O-N 3.35Å
355	I	94.8	Very high	93.5	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.036	26%	0.264	C	S	.	.	S	Bend	trans	-77.3	-42.1	172.1	-68.6	170.2	0	0	0	109.8	R328 W331 E332 L335 L350 V353 T357 S360 A362	R328-I355 HydrophobicContact CG-CD1 4.38Å; R328-I355 HydrophobicContact CG-CG1 3.86Å; W331-I355 HydrophobicContact CB-CD1 3.32Å; E332-I355 HydrophobicContact CB-CD1 4.41Å; E332-I355 HydrophobicContact CG-CD1 3.62Å; E332-I355 HydrophobicContact CG-CG1 3.77Å; L335-I355 HydrophobicContact CD2-CG2 3.96Å; L350-I355 HydrophobicContact CD2-CB 4.49Å; L350-I355 HydrophobicContact CD2-CD1 4.01Å; L350-I355 HydrophobicContact CD2-CG2 4.4Å; L350-I355 PolarHBondContact O-N 3.44Å; V353-I355 VanDerWaalsContact C-N 3.34Å; V353-I355 HydrophobicContact CG2-CB 4.3Å; V353-I355 HydrophobicContact CG2-CD1 3.62Å; V353-I355 HydrophobicContact CG2-CG1 3.8Å; V353-I355 PolarHBondContact O-N 3.27Å; I355-T357 PolarHBondContact O-N 2.97Å; I355-S360 PolarHBondContact O-OG 3.29Å; I355-A362 HydrophobicContact CG2-CB 3.48Å; I355-A362 VanDerWaalsContact CG2-CB 3.48Å
356	L	94.4	Very high	93.8	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	24%	0.236	C	C	.	.			trans	-97.3	93.5	-175.3	-166.1	57	0	0	0	110.4	L347 L350 A363 I366 Y393 V448 V451	L347-L356 HydrophobicContact CB-CD2 4.5Å; L347-L356 HydrophobicContact CD2-CD2 4.14Å; L350-L356 HydrophobicContact CB-CB 3.92Å; L350-L356 HydrophobicContact CB-CD2 4.34Å; L350-L356 PolarHBondContact O-N 3.13Å; L356-A363 HydrophobicContact CD1-CB 3.76Å; L356-I366 HydrophobicContact CD1-CD1 3.8Å; L356-I366 HydrophobicContact CD2-CD1 4.26Å; L356-Y393 HydrophobicContact CD2-CE2 4.14Å; L356-Y393 WeakPolarHBondContact CD2-OH 3.25Å; L356-V448 HydrophobicContact CG-CG2 4.02Å; L356-V448 WeakPolarHBondContact O-CG2 3.49Å; L356-V451 HydrophobicContact CD1-CG2 3.96Å; L356-V451 HydrophobicContact CD2-CG2 4.35Å; L356-V451 HydrophobicContact CG-CG2 4.41Å
357	T	93.9	Very high	94	Very high	71 Å²	71	39.7 Å²	39.7	44%	0.436	24%	0.238	S	C	.	.			trans	-123.4	157.5	171.3	66.2	0	0	0	0	110.2	I355 G359 S360 A363	I355-T357 PolarHBondContact O-N 2.97Å; T357-G359 PolarHBondContact O-N 3.43Å; T357-S360 PolarHBondContact N-OG 3.38Å; T357-S360 VanDerWaalsContact O-CB 3.27Å; T357-S360 WeakPolarHBondContact O-CB 3.37Å; T357-S360 PolarHBondContact O-N 3.15Å; T357-S360 PolarHBondContact O-OG 3.09Å; T357-S360 WeakPolarHBondContact OG1-CB 3.27Å; T357-A363 WeakPolarHBondContact O-CB 3.46Å
358	E	93.5	Very high	94.1	Very high	102 Å²	102	43.3 Å²	43.3	48%	0.477	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	136.1	174.8	-166.4	58.7	-115.3	0	0	110.2	S360 V448 P449 S450	E358-S360 PolarHBondContact O-N 3.32Å; E358-V448 HydrophobicContact CB-CG1 4.24Å; E358-V448 WeakPolarHBondContact OE2-CG1 3.27Å; E358-P449 WeakPolarHBondContact OE2-CD 3.45Å; E358-S450 WeakPolarHBondContact OE1-CB 3.31Å; E358-S450 PolarHBondContact OE1-OG 3.32Å; E358-S450 PolarHBondContact OE2-N 3.17Å; E358-S450 VanDerWaalsContact OE2-N 3.14Å; E358-S450 PolarHBondContact OE2-OG 2.96Å
359	G	93.9	Very high	94.1	Very high	75 Å²	75	45.3 Å²	45.3	77%	0.773	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-1.1	-175.2	0	0	0	0	0	116.5	T357	T357-G359 PolarHBondContact O-N 3.43Å
360	S	95.7	Very high	94.2	Very high	21 Å²	21	42 Å²	42	15%	0.147	26%	0.256	C	S	.	.			trans	-68.9	152.8	175.2	64.9	0	0	0	0	112.3	I355 T357 E358 A362 A363 A364	I355-S360 PolarHBondContact O-OG 3.29Å; T357-S360 PolarHBondContact N-OG 3.38Å; T357-S360 VanDerWaalsContact O-CB 3.27Å; T357-S360 WeakPolarHBondContact O-CB 3.37Å; T357-S360 PolarHBondContact O-N 3.15Å; T357-S360 PolarHBondContact O-OG 3.09Å; T357-S360 WeakPolarHBondContact OG1-CB 3.27Å; E358-S360 PolarHBondContact O-N 3.32Å; S360-A362 VanDerWaalsContact C-N 3.25Å; S360-A362 PolarHBondContact O-N 3.04Å; S360-A363 WeakPolarHBondContact O-CB 3.47Å; S360-A363 PolarHBondContact O-N 3.32Å; S360-A363 VanDerWaalsContact O-N 3.16Å; S360-A363 VanDerWaalsContact OG-CB 3.29Å; S360-A363 WeakPolarHBondContact OG-CB 3.45Å; S360-A363 PolarHBondContact OG-N 3.13Å; S360-A363 VanDerWaalsContact OG-N 3.08Å; S360-A364 PolarHBondContact O-N 3.5Å
361	K	95.4	Very high	94.1	Very high	165 Å²	165	48.5 Å²	48.5	72%	0.717	28%	0.281	S	S	*	.	H	α-helix	trans	-55.4	-42.7	171.7	-175.6	-175.3	175	-173.8	0	111.5	A363 A364 D365	K361-A363 PolarHBondContact O-N 2.83Å; K361-A364 PolarHBondContact O-N 2.84Å; K361-D365 WeakPolarHBondContact O-CB 3.49Å; K361-D365 VanDerWaalsContact O-CG 3.27Å; K361-D365 PolarHBondContact O-N 3.39Å
362	A	95.3	Very high	93.9	Very high	13 Å²	13	51.2 Å²	51.2	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-40.1	178.2	0	0	0	0	0	112.6	L335 I355 S360 D365 I366	L335-A362 HydrophobicContact CD2-CB 3.89Å; I355-A362 HydrophobicContact CG2-CB 3.48Å; I355-A362 VanDerWaalsContact CG2-CB 3.48Å; S360-A362 VanDerWaalsContact C-N 3.25Å; S360-A362 PolarHBondContact O-N 3.04Å; A362-D365 PolarHBondContact O-N 3.14Å; A362-I366 WeakPolarHBondContact O-CB 3.44Å; A362-I366 VanDerWaalsContact O-CG1 3.26Å; A362-I366 WeakPolarHBondContact O-CG1 3.38Å; A362-I366 PolarHBondContact O-N 2.81Å
363	A	96.3	Very high	93.4	Very high	2 Å²	2	51 Å²	51	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-47.2	173.1	0	0	0	0	0	111.3	L356 T357 S360 K361 D365 I366 V367 V448 V451	L356-A363 HydrophobicContact CD1-CB 3.76Å; T357-A363 WeakPolarHBondContact O-CB 3.46Å; S360-A363 WeakPolarHBondContact O-CB 3.47Å; S360-A363 PolarHBondContact O-N 3.32Å; S360-A363 VanDerWaalsContact O-N 3.16Å; S360-A363 VanDerWaalsContact OG-CB 3.29Å; S360-A363 WeakPolarHBondContact OG-CB 3.45Å; S360-A363 PolarHBondContact OG-N 3.13Å; S360-A363 VanDerWaalsContact OG-N 3.08Å; K361-A363 PolarHBondContact O-N 2.83Å; A363-D365 VanDerWaalsContact C-N 3.35Å; A363-D365 PolarHBondContact O-N 2.9Å; A363-I366 PolarHBondContact O-N 3.34Å; A363-V367 WeakPolarHBondContact O-CB 3.33Å; A363-V367 VanDerWaalsContact O-CG2 3.22Å; A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.46Å; A363-V448 HydrophobicContact CB-CG1 4.36Å; A363-V451 HydrophobicContact CB-CG2 4.43Å
364	A	96.4	Very high	92.9	Very high	60 Å²	60	55.7 Å²	55.7	50%	0.496	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-43.8	177.9	0	0	0	0	0	112.1	S360 K361 V367 S368	S360-A364 PolarHBondContact O-N 3.5Å; K361-A364 PolarHBondContact O-N 2.84Å; A364-V367 PolarHBondContact O-N 3.28Å; A364-S368 WeakPolarHBondContact O-CB 3.49Å; A364-S368 PolarHBondContact O-N 2.85Å
365	D	94.7	Very high	92.4	Very high	73 Å²	73	58.5 Å²	58.5	39%	0.39	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-43.8	178.2	-69.4	-16.1	0	0	0	111.5	K361 A362 A363 S368 R369	K361-D365 WeakPolarHBondContact O-CB 3.49Å; K361-D365 VanDerWaalsContact O-CG 3.27Å; K361-D365 PolarHBondContact O-N 3.39Å; A362-D365 PolarHBondContact O-N 3.14Å; A363-D365 VanDerWaalsContact C-N 3.35Å; A363-D365 PolarHBondContact O-N 2.9Å; D365-S368 WeakPolarHBondContact O-CB 3.28Å; D365-S368 PolarHBondContact O-N 3.38Å; D365-R369 WeakPolarHBondContact O-CG 3.36Å; D365-R369 PolarHBondContact O-N 2.86Å
366	I	94.9	Very high	91.6	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-44.6	177.1	-72.4	168.1	0	0	0	111.2	L335 M343 L347 L350 L356 A362 A363 S368 R369 L370 V451	L335-I366 HydrophobicContact CD1-CD1 4.38Å; L335-I366 HydrophobicContact CD2-CD1 4.49Å; M343-I366 HydrophobicContact CE-CG2 4.29Å; M343-I366 HydrophobicContact CG-CG1 4.33Å; M343-I366 HydrophobicContact SD-CB 4.41Å; M343-I366 HydrophobicContact SD-CG1 3.83Å; M343-I366 HydrophobicContact SD-CG2 4.27Å; L347-I366 HydrophobicContact CD2-CD1 4.05Å; L347-I366 HydrophobicContact CD2-CG2 4.05Å; L350-I366 HydrophobicContact CD1-CD1 3.98Å; L356-I366 HydrophobicContact CD1-CD1 3.8Å; L356-I366 HydrophobicContact CD2-CD1 4.26Å; A362-I366 WeakPolarHBondContact O-CB 3.44Å; A362-I366 VanDerWaalsContact O-CG1 3.26Å; A362-I366 WeakPolarHBondContact O-CG1 3.38Å; A362-I366 PolarHBondContact O-N 2.81Å; A363-I366 PolarHBondContact O-N 3.34Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 2.98Å; I366-R369 PolarHBondContact O-N 3.39Å; I366-L370 HydrophobicContact CG2-CD1 3.78Å; I366-L370 HydrophobicContact CG2-CG 4.41Å; I366-L370 WeakPolarHBondContact O-CB 3.21Å; I366-L370 WeakPolarHBondContact O-CG 3.13Å; I366-L370 PolarHBondContact O-N 3.45Å; I366-V451 HydrophobicContact CG2-CG1 4.27Å; I366-V451 HydrophobicContact CG2-CG2 4.43Å
367	V	96	Very high	90.6	Very high	14 Å²	14	64.7 Å²	64.7	9%	0.085	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-41.2	176.6	168.4	0	0	0	0	110.7	A363 A364 L370 R371 S450 V451 A454	A363-V367 WeakPolarHBondContact O-CB 3.33Å; A363-V367 VanDerWaalsContact O-CG2 3.22Å; A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.46Å; A364-V367 PolarHBondContact O-N 3.28Å; V367-L370 PolarHBondContact O-N 3.26Å; V367-R371 VanDerWaalsContact O-CG 3.31Å; V367-R371 WeakPolarHBondContact O-CG 3.48Å; V367-R371 PolarHBondContact O-N 3.48Å; V367-R371 VanDerWaalsContact O-N 3.08Å; V367-S450 WeakPolarHBondContact CG2-O 3.32Å; V367-V451 HydrophobicContact CG2-CG2 4.15Å; V367-A454 HydrophobicContact CB-CB 4.32Å; V367-A454 HydrophobicContact CG1-CB 4.07Å; V367-A454 HydrophobicContact CG2-CB 4.01Å
368	S	94.4	Very high	89.8	Confident	78 Å²	78	68.2 Å²	68.2	55%	0.545	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-48.8	174.6	-174.9	0	0	0	0	111.4	A364 D365 I366 L370 R371 D372	A364-S368 WeakPolarHBondContact O-CB 3.49Å; A364-S368 PolarHBondContact O-N 2.85Å; D365-S368 WeakPolarHBondContact O-CB 3.28Å; D365-S368 PolarHBondContact O-N 3.38Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 2.98Å; S368-L370 VanDerWaalsContact C-N 3.34Å; S368-L370 PolarHBondContact O-N 2.94Å; S368-R371 PolarHBondContact O-N 2.96Å; S368-R371 VanDerWaalsContact O-N 3.14Å; S368-D372 PolarHBondContact O-N 2.91Å
369	R	92	Very high	89	Confident	77 Å²	77	65.3 Å²	65.3	29%	0.291	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-40.9	176.2	-69.3	174.2	-172.8	-161.9	1.3	112.5	L335 E336 F340 M343 D365 I366 R371 D372	L335-R369 PolarHBondContact O-NH1 2.92Å; E336-R369 PolarHBondContact O-NH2 3.3Å; F340-R369 HydrophobicContact CE2-CB 4.21Å; F340-R369 WeakPolarHBondContact CE2-O 3.26Å; M343-R369 HydrophobicContact CE-CB 4.48Å; D365-R369 WeakPolarHBondContact O-CG 3.36Å; D365-R369 PolarHBondContact O-N 2.86Å; I366-R369 PolarHBondContact O-N 3.39Å; R369-R371 VanDerWaalsContact C-N 3.27Å; R369-R371 PolarHBondContact O-N 3.25Å; R369-D372 PolarHBondContact O-N 3.31Å
370	L	92.6	Very high	88.2	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.8	-25.8	178.3	-76.5	165.2	0	0	0	113.1	F340 L344 I366 V367 S368 L386 V451 A454 L455 A458	F340-L370 HydrophobicContact CZ-CD2 3.82Å; L344-L370 HydrophobicContact CD2-CD2 3.94Å; I366-L370 HydrophobicContact CG2-CD1 3.78Å; I366-L370 HydrophobicContact CG2-CG 4.41Å; I366-L370 WeakPolarHBondContact O-CB 3.21Å; I366-L370 WeakPolarHBondContact O-CG 3.13Å; I366-L370 PolarHBondContact O-N 3.45Å; V367-L370 PolarHBondContact O-N 3.26Å; S368-L370 VanDerWaalsContact C-N 3.34Å; S368-L370 PolarHBondContact O-N 2.94Å; L370-L386 HydrophobicContact CD2-CD2 4.25Å; L370-V451 HydrophobicContact CD1-CG1 4.44Å; L370-A454 HydrophobicContact CB-CB 3.95Å; L370-A454 HydrophobicContact CD1-CB 3.74Å; L370-A454 HydrophobicContact CG-CB 4.49Å; L370-L455 HydrophobicContact CD1-CD2 4.17Å; L370-L455 HydrophobicContact CD1-CG 3.98Å; L370-L455 HydrophobicContact CD2-CD2 3.67Å; L370-L455 HydrophobicContact CD2-CG 4.29Å; L370-A458 HydrophobicContact CB-CB 4.42Å; L370-A458 HydrophobicContact CD2-CB 4Å; L370-A458 WeakPolarHBondContact O-CB 3.38Å
371	R	92	Very high	87.5	Confident	136 Å²	136	67.5 Å²	67.5	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-88.9	-11.9	177.9	-70.8	175.8	178.9	-175.8	1.3	113.3	V367 S368 R369 M373 D453	V367-R371 VanDerWaalsContact O-CG 3.31Å; V367-R371 WeakPolarHBondContact O-CG 3.48Å; V367-R371 PolarHBondContact O-N 3.48Å; V367-R371 VanDerWaalsContact O-N 3.08Å; S368-R371 PolarHBondContact O-N 2.96Å; S368-R371 VanDerWaalsContact O-N 3.14Å; R369-R371 VanDerWaalsContact C-N 3.27Å; R369-R371 PolarHBondContact O-N 3.25Å; R371-M373 PolarHBondContact O-N 3.44Å; R371-D453 IonicContact NH2-OD2 3.86Å
372	D	88.9	Confident	86.9	Confident	73 Å²	73	60.1 Å²	60.1	39%	0.39	29%	0.293	S	S	.	.			trans	-76.1	92	177.6	-173	-16.2	0	0	0	111.1	S368 R369 E374 H375 L376	S368-D372 PolarHBondContact O-N 2.91Å; R369-D372 PolarHBondContact O-N 3.31Å; D372-E374 VanDerWaalsContact C-N 3.29Å; D372-E374 PolarHBondContact O-N 2.98Å; D372-E374 PolarHBondContact OD1-N 3.08Å; D372-E374 VanDerWaalsContact OD1-N 3.13Å; D372-H375 HydrophobicContact CB-CB 3.97Å; D372-H375 VanDerWaalsContact CG-CB 3.43Å; D372-H375 PolarHBondContact O-N 3.45Å; D372-H375 PolarHBondContact OD1-N 2.97Å; D372-H375 WeakPolarHBondContact OD2-CB 3.44Å; D372-L376 WeakPolarHBondContact O-CG 3.46Å; D372-L376 PolarHBondContact O-N 3.08Å
373	M	80.6	Confident	86.6	Confident	53 Å²	53	59.5 Å²	59.5	26%	0.261	29%	0.288	S	S	.	.	H	α-helix	trans	-58.6	-39	178.9	-63.1	-57.2	-62.6	0	0	113.4	R371 H375 L376 R377 N461	R371-M373 PolarHBondContact O-N 3.44Å; M373-H375 VanDerWaalsContact C-N 3.34Å; M373-L376 PolarHBondContact O-N 3.4Å; M373-L376 HydrophobicContact SD-CD1 4.34Å; M373-R377 WeakPolarHBondContact O-CG 3.43Å; M373-R377 PolarHBondContact O-N 3.4Å; M373-R377 VanDerWaalsContact O-N 3.1Å; M373-N461 HydrophobicContact CE-CB 3.36Å; M373-N461 WeakPolarHBondContact CE-O 3.39Å; M373-N461 HydrophobicContact SD-CB 3.31Å; M373-N461 WeakPolarHBondContact SD-CB 3.3Å; M373-N461 PolarHBondContact SD-ND2 3.41Å
374	E	82.4	Confident	86.2	Confident	119 Å²	119	59.5 Å²	59.5	56%	0.556	29%	0.288	S	S	*	.	H	α-helix	trans	-68.5	-42.1	-177.5	-166.1	-173.9	157.9	0	0	109.6	D372 R377 K378	D372-E374 VanDerWaalsContact C-N 3.29Å; D372-E374 PolarHBondContact O-N 2.98Å; D372-E374 PolarHBondContact OD1-N 3.08Å; D372-E374 VanDerWaalsContact OD1-N 3.13Å; E374-R377 PolarHBondContact O-N 2.95Å; E374-K378 HydrophobicContact CG-CD 4.29Å; E374-K378 WeakPolarHBondContact O-CB 3.49Å; E374-K378 WeakPolarHBondContact O-CG 3.49Å; E374-K378 PolarHBondContact O-N 3.04Å; E374-K378 WeakPolarHBondContact OE1-CE 3.14Å; E374-K378 IonicContact OE1-NZ 3.43Å; E374-K378 PolarHBondContact OE1-NZ 3.4Å
375	H	81.2	Confident	85.7	Confident	84 Å²	84	58 Å²	58	39%	0.389	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-43.6	174.7	-166	82.9	0	0	0	112.3	F340 D372 M373 R377 K378 A379	F340-H375 AromaticContact CD2-CD2 3.9Å; D372-H375 HydrophobicContact CB-CB 3.97Å; D372-H375 VanDerWaalsContact CG-CB 3.43Å; D372-H375 PolarHBondContact O-N 3.45Å; D372-H375 PolarHBondContact OD1-N 2.97Å; D372-H375 WeakPolarHBondContact OD2-CB 3.44Å; M373-H375 VanDerWaalsContact C-N 3.34Å; H375-R377 VanDerWaalsContact C-N 3.3Å; H375-R377 PolarHBondContact O-N 3.44Å; H375-K378 PolarHBondContact O-N 3.47Å; H375-A379 WeakPolarHBondContact O-CB 3.37Å; H375-A379 PolarHBondContact O-N 3.4Å
376	L	78.9	Confident	85.5	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-54.7	-45.9	176.3	-78.5	175.6	0	0	0	111.9	F340 D372 M373 R380 V381 L386 A458	F340-L376 HydrophobicContact CE1-CD2 3.56Å; F340-L376 HydrophobicContact CE2-CD2 4.07Å; F340-L376 HydrophobicContact CZ-CD2 3.29Å; F340-L376 HydrophobicContact CZ-CG 4.38Å; D372-L376 WeakPolarHBondContact O-CG 3.46Å; D372-L376 PolarHBondContact O-N 3.08Å; M373-L376 PolarHBondContact O-N 3.4Å; M373-L376 HydrophobicContact SD-CD1 4.34Å; L376-R380 PolarHBondContact O-N 3.28Å; L376-V381 HydrophobicContact CD2-CB 4.1Å; L376-V381 HydrophobicContact CD2-CG1 4.44Å; L376-V381 HydrophobicContact CD2-CG2 4.06Å; L376-V381 PolarHBondContact O-N 3.01Å; L376-L386 HydrophobicContact CD2-CD1 4.35Å; L376-A458 HydrophobicContact CD1-CB 4.09Å
377	R	74.2	Confident	85.4	Confident	138 Å²	138	54.6 Å²	54.6	52%	0.521	26%	0.257	S	S	.	.	H	α-helix	trans	-67.6	-46.9	177.7	-67.9	-174.4	81	132.7	3.7	111.8	M373 E374 H375 A379 R380	M373-R377 WeakPolarHBondContact O-CG 3.43Å; M373-R377 PolarHBondContact O-N 3.4Å; M373-R377 VanDerWaalsContact O-N 3.1Å; E374-R377 PolarHBondContact O-N 2.95Å; H375-R377 VanDerWaalsContact C-N 3.3Å; H375-R377 PolarHBondContact O-N 3.44Å; R377-A379 VanDerWaalsContact C-N 3.32Å; R377-A379 PolarHBondContact O-N 3.07Å; R377-R380 PolarHBondContact O-N 3.45Å; R377-R380 VanDerWaalsContact O-N 3.09Å
378	K	77.3	Confident	84.9	Confident	144 Å²	144	56.4 Å²	56.4	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-62.8	-37.8	178.2	-78.2	176.2	172.8	171.6	0	112.5	E374 H375 R380	E374-K378 HydrophobicContact CG-CD 4.29Å; E374-K378 WeakPolarHBondContact O-CB 3.49Å; E374-K378 WeakPolarHBondContact O-CG 3.49Å; E374-K378 PolarHBondContact O-N 3.04Å; E374-K378 WeakPolarHBondContact OE1-CE 3.14Å; E374-K378 IonicContact OE1-NZ 3.43Å; E374-K378 PolarHBondContact OE1-NZ 3.4Å; H375-K378 PolarHBondContact O-N 3.47Å; K378-R380 PolarHBondContact O-N 2.89Å
379	A	76	Confident	84.7	Confident	41 Å²	41	53.3 Å²	53.3	34%	0.339	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.9	177.5	0	0	0	0	0	113.2	H375 R377 V381	H375-A379 WeakPolarHBondContact O-CB 3.37Å; H375-A379 PolarHBondContact O-N 3.4Å; R377-A379 VanDerWaalsContact C-N 3.32Å; R377-A379 PolarHBondContact O-N 3.07Å; A379-V381 VanDerWaalsContact C-N 3.26Å; A379-V381 HydrophobicContact CB-CG2 3.78Å; A379-V381 PolarHBondContact O-N 3.09Å
380	R	75.9	Confident	84.7	Confident	133 Å²	133	49.7 Å²	49.7	50%	0.502	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	45.2	179.7	-57	179.4	-176	162.4	1.1	111.6	E125 L376 R377 K378 H382	E125-R380 WeakPolarHBondContact O-CD 3.39Å; E125-R380 PolarHBondContact O-NE 3.34Å; E125-R380 PolarHBondContact O-NH1 2.81Å; L376-R380 PolarHBondContact O-N 3.28Å; R377-R380 PolarHBondContact O-N 3.45Å; R377-R380 VanDerWaalsContact O-N 3.09Å; K378-R380 PolarHBondContact O-N 2.89Å; R380-H382 PolarHBondContact O-N 3.28Å
381	V	81.4	Confident	84.4	Confident	10 Å²	10	49.9 Å²	49.9	6%	0.061	23%	0.233	C	C	.	.			trans	-76.1	112.8	-178.3	-174.1	0	0	0	0	108.8	F340 L344 L376 A379 L386	F340-V381 HydrophobicContact CD1-CB 4.48Å; F340-V381 HydrophobicContact CD1-CG1 4.23Å; F340-V381 HydrophobicContact CD1-CG2 3.47Å; F340-V381 VanDerWaalsContact CD1-CG2 3.47Å; F340-V381 HydrophobicContact CE1-CB 4.37Å; F340-V381 HydrophobicContact CE1-CG1 3.95Å; F340-V381 HydrophobicContact CE1-CG2 3.73Å; F340-V381 HydrophobicContact CG-CG2 4.28Å; L344-V381 HydrophobicContact CD1-CG1 4.15Å; L376-V381 HydrophobicContact CD2-CB 4.1Å; L376-V381 HydrophobicContact CD2-CG1 4.44Å; L376-V381 HydrophobicContact CD2-CG2 4.06Å; L376-V381 PolarHBondContact O-N 3.01Å; A379-V381 VanDerWaalsContact C-N 3.26Å; A379-V381 HydrophobicContact CB-CG2 3.78Å; A379-V381 PolarHBondContact O-N 3.09Å; V381-L386 HydrophobicContact CB-CD1 4.47Å; V381-L386 HydrophobicContact CG1-CD1 3.76Å; V381-L386 HydrophobicContact CG1-CD2 4.1Å; V381-L386 HydrophobicContact CG1-CG 3.68Å
382	H	84	Confident	84	Confident	9 Å²	9	46.7 Å²	46.7	4%	0.042	23%	0.228	C	C	.	.			trans	-68.7	139.8	-178.3	-165.9	-88.6	0	0	0	112.2	R128 P130 R380 M384 A385 L386 F626	R128-H382 VanDerWaalsContact C-CD2 3.49Å; R128-H382 PolarHBondContact O-CD2 2.96Å; R128-H382 PolarHBondContact O-NE2 2.9Å; P130-H382 HydrophobicContact CB-CB 4.42Å; R380-H382 PolarHBondContact O-N 3.28Å; H382-M384 VanDerWaalsContact C-N 3.33Å; H382-M384 VanDerWaalsContact ND1-CB 3.27Å; H382-M384 WeakPolarHBondContact ND1-CB 3.05Å; H382-M384 PolarHBondContact ND1-N 3.34Å; H382-M384 VanDerWaalsContact ND1-N 3.14Å; H382-M384 PolarHBondContact O-N 3.49Å; H382-A385 HydrophobicContact CB-CB 4.45Å; H382-A385 WeakPolarHBondContact O-CB 3.19Å; H382-A385 PolarHBondContact O-N 2.88Å; H382-L386 PolarHBondContact O-N 3.44Å; H382-F626 PolarHBondContact CE1-O 3.43Å; H382-F626 PolarHBondContact NE2-O 2.89Å
383	P	88.7	Confident	84.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-54.2	-44.9	178.6	-21.3	25.5	0	0	0	113.4	A385 L386 L387 F459 S462 F463 F626 P628	P383-A385 PolarHBondContact O-N 3.24Å; P383-A385 VanDerWaalsContact O-N 3.16Å; P383-L386 PolarHBondContact O-N 3.08Å; P383-L387 PolarHBondContact O-N 3.02Å; P383-F459 HydrophobicContact CB-CD2 3.86Å; P383-F459 HydrophobicContact CB-CE2 3.74Å; P383-F459 VanDerWaalsContact O-CD2 3.28Å; P383-F459 WeakPolarHBondContact O-CD2 3.46Å; P383-S462 WeakPolarHBondContact CA-OG 3.46Å; P383-S462 WeakPolarHBondContact CB-OG 3.27Å; P383-S462 WeakPolarHBondContact CG-OG 3.47Å; P383-F463 HydrophobicContact CB-CD2 4.18Å; P383-F463 HydrophobicContact CB-CE1 4.04Å; P383-F463 HydrophobicContact CB-CE2 3.51Å; P383-F463 HydrophobicContact CB-CZ 3.43Å; P383-F463 VanDerWaalsContact CB-CZ 3.43Å; P383-F463 HydrophobicContact CG-CD1 4.04Å; P383-F463 HydrophobicContact CG-CD2 4.16Å; P383-F463 HydrophobicContact CG-CE1 3.77Å; P383-F463 HydrophobicContact CG-CE2 3.9Å; P383-F463 HydrophobicContact CG-CG 4.23Å; P383-F463 HydrophobicContact CG-CZ 3.7Å; P383-F626 HydrophobicContact CB-CD1 4.47Å; P383-P628 HydrophobicContact CG-CB 4.32Å; P383-P628 HydrophobicContact CG-CG 4.17Å
384	M	87.1	Confident	84.4	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-54.9	-36.7	175.7	-169.4	117.7	69.3	0	0	112.4	L82 P130 H382 M388 I487 F626	L82-M384 HydrophobicContact CD2-CE 4.4Å; P130-M384 HydrophobicContact CB-CB 4.22Å; P130-M384 HydrophobicContact CG-CB 4.39Å; P130-M384 HydrophobicContact CG-CE 3.82Å; H382-M384 VanDerWaalsContact C-N 3.33Å; H382-M384 VanDerWaalsContact ND1-CB 3.27Å; H382-M384 WeakPolarHBondContact ND1-CB 3.05Å; H382-M384 PolarHBondContact ND1-N 3.34Å; H382-M384 VanDerWaalsContact ND1-N 3.14Å; H382-M384 PolarHBondContact O-N 3.49Å; M384-M388 HydrophobicContact CG-CE 3.83Å; M384-M388 HydrophobicContact CG-CG 4.37Å; M384-M388 HydrophobicContact CG-SD 4.29Å; M384-M388 VanDerWaalsContact O-CB 3.32Å; M384-M388 WeakPolarHBondContact O-CB 3.45Å; M384-M388 WeakPolarHBondContact O-CE 3.29Å; M384-M388 VanDerWaalsContact O-CG 3.22Å; M384-M388 WeakPolarHBondContact O-CG 3.45Å; M384-M388 PolarHBondContact O-N 3.09Å; M384-I487 HydrophobicContact CE-CD1 4.32Å; M384-I487 HydrophobicContact SD-CD1 3.95Å; M384-I487 HydrophobicContact SD-CG1 4.33Å; M384-I487 HydrophobicContact SD-CG2 4.24Å; M384-F626 HydrophobicContact CB-CB 4.21Å; M384-F626 HydrophobicContact CB-CD1 3.67Å; M384-F626 HydrophobicContact CB-CE1 4.24Å; M384-F626 HydrophobicContact CB-CG 4Å; M384-F626 HydrophobicContact CE-CB 3.96Å; M384-F626 HydrophobicContact CE-CD2 3.96Å; M384-F626 HydrophobicContact CE-CG 3.96Å; M384-F626 HydrophobicContact CG-CD1 4.25Å; M384-F626 HydrophobicContact CG-CE1 4.49Å; M384-F626 HydrophobicContact CG-CG 4.4Å; M384-F626 HydrophobicContact SD-CB 4.24Å; M384-F626 HydrophobicContact SD-CD1 3.93Å; M384-F626 HydrophobicContact SD-CD2 3.52Å; M384-F626 VanDerWaalsContact SD-CD2 3.52Å; M384-F626 HydrophobicContact SD-CE1 4.14Å; M384-F626 HydrophobicContact SD-CE2 3.77Å; M384-F626 HydrophobicContact SD-CG 3.61Å; M384-F626 HydrophobicContact SD-CZ 4.07Å
385	A	86.7	Confident	84.2	Confident	30 Å²	30	40.9 Å²	40.9	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-36.1	179.2	0	0	0	0	0	112.3	H382 P383 A389	H382-A385 HydrophobicContact CB-CB 4.45Å; H382-A385 WeakPolarHBondContact O-CB 3.19Å; H382-A385 PolarHBondContact O-N 2.88Å; P383-A385 PolarHBondContact O-N 3.24Å; P383-A385 VanDerWaalsContact O-N 3.16Å; A385-A389 VanDerWaalsContact O-CB 3.26Å; A385-A389 WeakPolarHBondContact O-CB 3.29Å; A385-A389 PolarHBondContact O-N 3.11Å
386	L	91.3	Very high	83.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72	-43.2	175.7	-72.8	159.8	0	0	0	111.4	F340 L344 L370 L376 V381 H382 P383 A389 H390 L455 A458 F459	F340-L386 HydrophobicContact CE1-CD2 4.25Å; L344-L386 HydrophobicContact CD1-CD2 3.89Å; L344-L386 HydrophobicContact CD1-CG 4.46Å; L344-L386 HydrophobicContact CD2-CD2 4.12Å; L370-L386 HydrophobicContact CD2-CD2 4.25Å; L376-L386 HydrophobicContact CD2-CD1 4.35Å; V381-L386 HydrophobicContact CB-CD1 4.47Å; V381-L386 HydrophobicContact CG1-CD1 3.76Å; V381-L386 HydrophobicContact CG1-CD2 4.1Å; V381-L386 HydrophobicContact CG1-CG 3.68Å; H382-L386 PolarHBondContact O-N 3.44Å; P383-L386 PolarHBondContact O-N 3.08Å; L386-A389 PolarHBondContact O-N 3.15Å; L386-H390 WeakPolarHBondContact O-CB 3.43Å; L386-H390 PolarHBondContact O-N 3.2Å; L386-L455 HydrophobicContact CD2-CD2 4.48Å; L386-A458 HydrophobicContact CD1-CB 4.3Å; L386-A458 WeakPolarHBondContact CD1-O 3.36Å; L386-A458 HydrophobicContact CD2-CB 3.89Å; L386-F459 HydrophobicContact CB-CB 3.99Å
387	L	91.1	Very high	82.4	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-46.1	176.4	-173	65.3	0	0	0	111.4	P383 A389 H390 A391 F459 L492 A497 A500 Y532 F626	P383-L387 PolarHBondContact O-N 3.02Å; L387-A389 VanDerWaalsContact C-N 3.32Å; L387-A389 PolarHBondContact O-N 3.01Å; L387-H390 WeakPolarHBondContact O-CB 3.31Å; L387-H390 PolarHBondContact O-N 2.96Å; L387-A391 WeakPolarHBondContact O-CB 3.19Å; L387-A391 PolarHBondContact O-N 3.06Å; L387-F459 HydrophobicContact CB-CD2 3.76Å; L387-F459 HydrophobicContact CB-CE2 3.84Å; L387-F459 HydrophobicContact CB-CG 4.29Å; L387-F459 HydrophobicContact CB-CZ 4.47Å; L387-F459 HydrophobicContact CD1-CD1 4.27Å; L387-F459 HydrophobicContact CD1-CE1 4.26Å; L387-F459 HydrophobicContact CD1-CG 4.41Å; L387-F459 HydrophobicContact CD1-CZ 4.36Å; L387-F459 HydrophobicContact CD2-CE2 4.28Å; L387-F459 HydrophobicContact CD2-CZ 4.24Å; L387-F459 HydrophobicContact CG-CE2 4.43Å; L387-L492 HydrophobicContact CD2-CD1 3.84Å; L387-L492 HydrophobicContact CG-CD1 3.66Å; L387-A497 HydrophobicContact CD2-CB 4.49Å; L387-A500 HydrophobicContact CD1-CB 3.63Å; L387-A500 HydrophobicContact CD2-CB 3.83Å; L387-A500 HydrophobicContact CG-CB 4.41Å; L387-Y532 HydrophobicContact CD1-CE1 3.82Å; L387-Y532 HydrophobicContact CD1-CE2 4.01Å; L387-Y532 VanDerWaalsContact CD1-CZ 3.49Å; L387-Y532 WeakPolarHBondContact CD1-OH 3.34Å; L387-F626 HydrophobicContact CB-CE1 4.41Å; L387-F626 HydrophobicContact CD2-CE1 3.51Å; L387-F626 HydrophobicContact CD2-CZ 3.51Å
388	M	86.7	Confident	81.2	Confident	52 Å²	52	36.5 Å²	36.5	26%	0.256	19%	0.191	S	C	.	.	H	α-helix	trans	-62	-39.3	175	-73.7	-173.5	-65.3	0	0	112	M384 T392	M384-M388 HydrophobicContact CG-CE 3.83Å; M384-M388 HydrophobicContact CG-CG 4.37Å; M384-M388 HydrophobicContact CG-SD 4.29Å; M384-M388 VanDerWaalsContact O-CB 3.32Å; M384-M388 WeakPolarHBondContact O-CB 3.45Å; M384-M388 WeakPolarHBondContact O-CE 3.29Å; M384-M388 VanDerWaalsContact O-CG 3.22Å; M384-M388 WeakPolarHBondContact O-CG 3.45Å; M384-M388 PolarHBondContact O-N 3.09Å; M388-T392 VanDerWaalsContact O-CB 3.24Å; M388-T392 WeakPolarHBondContact O-CB 3.25Å; M388-T392 PolarHBondContact O-N 2.6Å; M388-T392 PolarHBondContact O-OG1 3.22Å
389	A	89.6	Confident	79.4	Confident	13 Å²	13	31.5 Å²	31.5	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-42.9	176.3	0	0	0	0	0	111.7	L344 A385 L386 L387 Y393 L455	L344-A389 HydrophobicContact CB-CB 4.11Å; L344-A389 HydrophobicContact CD2-CB 4.3Å; A385-A389 VanDerWaalsContact O-CB 3.26Å; A385-A389 WeakPolarHBondContact O-CB 3.29Å; A385-A389 PolarHBondContact O-N 3.11Å; L386-A389 PolarHBondContact O-N 3.15Å; L387-A389 VanDerWaalsContact C-N 3.32Å; L387-A389 PolarHBondContact O-N 3.01Å; A389-Y393 WeakPolarHBondContact O-CB 3.32Å; A389-Y393 PolarHBondContact O-N 3.44Å; A389-L455 HydrophobicContact CB-CD2 4.11Å
390	H	92.3	Very high	77.4	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-57.3	174.3	-179.3	-98.4	0	0	0	111.2	L386 L387 T392 Y393 K394 V452 L455 Y532 D533	L386-H390 WeakPolarHBondContact O-CB 3.43Å; L386-H390 PolarHBondContact O-N 3.2Å; L387-H390 WeakPolarHBondContact O-CB 3.31Å; L387-H390 PolarHBondContact O-N 2.96Å; H390-T392 VanDerWaalsContact C-N 3.34Å; H390-T392 PolarHBondContact O-N 3.04Å; H390-Y393 PolarHBondContact O-N 2.91Å; H390-K394 WeakPolarHBondContact O-CB 3.27Å; H390-K394 PolarHBondContact O-N 2.96Å; H390-V452 PolarHBondContact CD2-O 2.63Å; H390-V452 VanDerWaalsContact NE2-CG1 3.27Å; H390-V452 WeakPolarHBondContact NE2-CG1 3.33Å; H390-V452 PolarHBondContact NE2-O 3.4Å; H390-L455 HydrophobicContact CB-CB 3.98Å; H390-Y532 AromaticContact CE1-CE1 3.68Å; H390-Y532 AromaticContact CE1-CZ 3.9Å; H390-Y532 PolarHBondContact CE1-OH 3.24Å; H390-Y532 AromaticContact ND1-CE1 3.53Å; H390-Y532 AromaticContact ND1-CZ 3.5Å; H390-Y532 PolarHBondContact ND1-OH 2.94Å; H390-D533 IonicContact CE1-OD2 2.85Å; H390-D533 PolarHBondContact CE1-OD2 2.79Å
391	A	86	Confident	75.5	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-42.8	-178.9	0	0	0	0	0	112.4	L387 N395 L492	L387-A391 WeakPolarHBondContact O-CB 3.19Å; L387-A391 PolarHBondContact O-N 3.06Å; A391-N395 PolarHBondContact O-ND2 3.39Å; A391-L492 HydrophobicContact CB-CD1 3.8Å; A391-L492 HydrophobicContact CB-CD2 3.67Å; A391-L492 HydrophobicContact CB-CG 3.86Å
392	T	84.4	Confident	73.5	Confident	68 Å²	68	38.1 Å²	38.1	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-64.8	-49.7	177.6	-57.5	0	0	0	0	110.6	M388 H390 N395 W445	M388-T392 VanDerWaalsContact O-CB 3.24Å; M388-T392 WeakPolarHBondContact O-CB 3.25Å; M388-T392 PolarHBondContact O-N 2.6Å; M388-T392 PolarHBondContact O-OG1 3.22Å; H390-T392 VanDerWaalsContact C-N 3.34Å; H390-T392 PolarHBondContact O-N 3.04Å; T392-N395 PolarHBondContact O-N 3.45Å; T392-W445 VanDerWaalsContact O-CZ2 3.28Å; T392-W445 WeakPolarHBondContact O-CZ2 3.06Å
393	Y	90.3	Very high	71.4	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-38.6	-173.3	-176.6	-113.9	0	0	0	112.9	L347 S351 L356 A389 H390 N395 W445 P447 V448 V451 V452 L455	L347-Y393 HydrophobicContact CB-CD2 3.55Å; L347-Y393 HydrophobicContact CB-CE2 3.81Å; L347-Y393 HydrophobicContact CB-CG 4.11Å; L347-Y393 HydrophobicContact CD1-CG 4.36Å; S351-Y393 VanDerWaalsContact OG-CE2 3.32Å; S351-Y393 WeakPolarHBondContact OG-CE2 3.16Å; S351-Y393 PolarHBondContact OG-OH 2.95Å; L356-Y393 HydrophobicContact CD2-CE2 4.14Å; L356-Y393 WeakPolarHBondContact CD2-OH 3.25Å; A389-Y393 WeakPolarHBondContact O-CB 3.32Å; A389-Y393 PolarHBondContact O-N 3.44Å; H390-Y393 PolarHBondContact O-N 2.91Å; Y393-N395 VanDerWaalsContact C-N 3.3Å; Y393-N395 PolarHBondContact O-N 3.18Å; Y393-W445 AromaticContact CD2-NE1 3.43Å; Y393-W445 AromaticContact CE2-CD1 3.83Å; Y393-W445 AromaticContact CE2-NE1 3.71Å; Y393-W445 PolarHBondContact O-NE1 2.63Å; Y393-P447 HydrophobicContact CE1-CB 4.33Å; Y393-P447 WeakPolarHBondContact O-CG 3.46Å; Y393-V448 WeakPolarHBondContact OH-CB 3.35Å; Y393-V448 WeakPolarHBondContact OH-CG2 3.39Å; Y393-V448 PolarHBondContact OH-N 3.16Å; Y393-V448 VanDerWaalsContact OH-N 3.14Å; Y393-V451 HydrophobicContact CD1-CG1 4.06Å; Y393-V451 HydrophobicContact CE1-CB 3.85Å; Y393-V451 HydrophobicContact CE1-CG1 3.62Å; Y393-V452 HydrophobicContact CD1-CG2 3.84Å; Y393-V452 HydrophobicContact CE1-CG2 4Å; Y393-L455 HydrophobicContact CD1-CD1 4.06Å; Y393-L455 HydrophobicContact CG-CD1 4.47Å
394	K	87.5	Confident	69.3	Low	73 Å²	73	48.4 Å²	48.4	32%	0.317	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-33	178.9	-171	-172.9	-177.4	-168.4	0	112.7	H390 G396 P447 V452 D533	H390-K394 WeakPolarHBondContact O-CB 3.27Å; H390-K394 PolarHBondContact O-N 2.96Å; K394-G396 VanDerWaalsContact C-N 3.29Å; K394-G396 PolarHBondContact O-N 2.84Å; K394-P447 WeakPolarHBondContact O-CG 3.12Å; K394-V452 HydrophobicContact CB-CG1 4.36Å; K394-V452 HydrophobicContact CB-CG2 4.5Å; K394-V452 HydrophobicContact CD-CG1 4.31Å; K394-V452 HydrophobicContact CG-CG1 4.13Å; K394-D533 WeakPolarHBondContact CD-OD2 3.5Å; K394-D533 WeakPolarHBondContact CE-OD2 3.46Å; K394-D533 VanDerWaalsContact NZ-CG 3.28Å; K394-D533 IonicContact NZ-OD2 2.79Å; K394-D533 PolarHBondContact NZ-OD2 3.07Å
395	N	78.8	Confident	67.4	Low	47 Å²	47	52.5 Å²	52.5	25%	0.251	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	17.5	-174.5	-69.8	-50.5	0	0	0	115.1	A391 T392 Y393 M397 A398 L435	A391-N395 PolarHBondContact O-ND2 3.39Å; T392-N395 PolarHBondContact O-N 3.45Å; Y393-N395 VanDerWaalsContact C-N 3.3Å; Y393-N395 PolarHBondContact O-N 3.18Å; N395-M397 PolarHBondContact O-N 3.38Å; N395-A398 PolarHBondContact O-N 3.17Å; N395-L435 WeakPolarHBondContact CB-O 3.46Å
396	G	66.8	Low	65.6	Low	5 Å²	5	56 Å²	56	5%	0.052	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-12.7	-173.5	0	0	0	0	0	117.9	K394 E444 W445	K394-G396 VanDerWaalsContact C-N 3.29Å; K394-G396 PolarHBondContact O-N 2.84Å; G396-E444 WeakPolarHBondContact O-CA 3.23Å; G396-W445 CarbonylContact C-O 3.56Å; G396-W445 PolarHBondContact O-N 3.4Å; G396-W445 VanDerWaalsContact O-O 3.11Å
397	M	55.5	Low	63.5	Low	100 Å²	100	60.9 Å²	60.9	49%	0.493	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-8.1	-179.3	-68.4	-162.1	-171.7	0	0	115.5	N395 A399 K400 W445 T446	N395-M397 PolarHBondContact O-N 3.38Å; M397-A399 PolarHBondContact O-N 3.12Å; M397-K400 PolarHBondContact O-N 2.73Å; M397-K400 VanDerWaalsContact O-N 3.14Å; M397-W445 WeakPolarHBondContact CG-O 3.42Å; M397-T446 VanDerWaalsContact CE-CA 3.44Å; M397-T446 HydrophobicContact CE-CG2 3.38Å; M397-T446 WeakPolarHBondContact CE-OG1 3.27Å
398	A	47.5	Very low	61.4	Low	28 Å²	28	64.7 Å²	64.7	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-15.3	-168.2	0	0	0	0	0	113.9	N395 K400 Q401 D402	N395-A398 PolarHBondContact O-N 3.17Å; A398-K400 PolarHBondContact O-N 3.03Å; A398-Q401 PolarHBondContact O-N 3.25Å; A398-D402 PolarHBondContact O-N 3Å
399	A	39.8	Very low	59.7	Low	40 Å²	40	67.1 Å²	67.1	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-58.3	-30.4	173.8	0	0	0	0	0	113.9	M397 K403 E444	M397-A399 PolarHBondContact O-N 3.12Å; A399-K403 WeakPolarHBondContact O-CB 3.48Å; A399-K403 PolarHBondContact O-N 2.86Å; A399-E444 HydrophobicContact CB-CG 4.41Å
400	K	34.9	Very low	57.4	Low	143 Å²	143	68.5 Å²	68.5	62%	0.622	36%	0.359	S	S	*	.	H	α-helix	trans	-80.9	-34.1	-177.9	-150.2	177.9	-174.3	-179.2	0	112.8	M397 A398 L404	M397-K400 PolarHBondContact O-N 2.73Å; M397-K400 VanDerWaalsContact O-N 3.14Å; A398-K400 PolarHBondContact O-N 3.03Å; K400-L404 HydrophobicContact CG-CD1 4.25Å; K400-L404 VanDerWaalsContact O-CB 3.31Å; K400-L404 WeakPolarHBondContact O-CB 3.37Å; K400-L404 WeakPolarHBondContact O-CD1 3.49Å; K400-L404 WeakPolarHBondContact O-CG 3.29Å; K400-L404 PolarHBondContact O-N 2.89Å
401	Q	34.5	Very low	55	Low	142 Å²	142	77.2 Å²	77.2	66%	0.664	40%	0.397	S	S	*	.	H	α-helix	trans	-71.1	-42.3	176.2	-90	170.6	-21.9	0	0	111.2	A398 K403 L404 I405	A398-Q401 PolarHBondContact O-N 3.25Å; Q401-K403 PolarHBondContact O-N 2.93Å; Q401-L404 PolarHBondContact O-N 3.36Å; Q401-I405 HydrophobicContact CB-CD1 4.49Å; Q401-I405 WeakPolarHBondContact O-CB 3.44Å; Q401-I405 WeakPolarHBondContact O-CD1 3.27Å; Q401-I405 WeakPolarHBondContact O-CG1 3.41Å; Q401-I405 PolarHBondContact O-N 2.97Å
402	D	40.1	Very low	53.1	Low	37 Å²	37	84 Å²	84	20%	0.198	43%	0.428	C	S	.	.	H	α-helix	trans	-69.2	-33.8	178.5	-165.8	28.8	0	0	0	112.2	A398 K406	A398-D402 PolarHBondContact O-N 3Å; D402-K406 VanDerWaalsContact O-CB 3.26Å; D402-K406 WeakPolarHBondContact O-CB 3.27Å; D402-K406 VanDerWaalsContact O-CG 3.25Å; D402-K406 WeakPolarHBondContact O-CG 3.26Å; D402-K406 PolarHBondContact O-N 3.3Å; D402-K406 WeakPolarHBondContact OD1-CE 3.38Å; D402-K406 IonicContact OD1-NZ 3.02Å; D402-K406 PolarHBondContact OD1-NZ 3.43Å; D402-K406 IonicContact OD2-NZ 3.1Å; D402-K406 PolarHBondContact OD2-NZ 3.27Å
403	K	40.7	Very low	51	Low	136 Å²	136	85.2 Å²	85.2	59%	0.591	44%	0.439	S	S	*	.	H	α-helix	trans	-69.4	-43.6	173	-165.1	179.4	-179.9	-171.4	0	112.6	A399 Q401 K406 E407	A399-K403 WeakPolarHBondContact O-CB 3.48Å; A399-K403 PolarHBondContact O-N 2.86Å; Q401-K403 PolarHBondContact O-N 2.93Å; K403-K406 PolarHBondContact O-N 2.99Å; K403-E407 VanDerWaalsContact CE-OE1 3.28Å; K403-E407 WeakPolarHBondContact CE-OE1 3.37Å; K403-E407 WeakPolarHBondContact O-CB 3.48Å; K403-E407 VanDerWaalsContact O-CG 3.29Å; K403-E407 WeakPolarHBondContact O-CG 3.45Å; K403-E407 PolarHBondContact O-N 3.03Å
404	L	43.5	Very low	48.7	Very low	90 Å²	90	93.7 Å²	93.7	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-40.7	174.5	-83.3	160.4	0	0	0	111.8	K400 Q401 E407 V408	K400-L404 HydrophobicContact CG-CD1 4.25Å; K400-L404 VanDerWaalsContact O-CB 3.31Å; K400-L404 WeakPolarHBondContact O-CB 3.37Å; K400-L404 WeakPolarHBondContact O-CD1 3.49Å; K400-L404 WeakPolarHBondContact O-CG 3.29Å; K400-L404 PolarHBondContact O-N 2.89Å; Q401-L404 PolarHBondContact O-N 3.36Å; L404-E407 PolarHBondContact O-N 3.5Å; L404-V408 VanDerWaalsContact O-CB 3.29Å; L404-V408 WeakPolarHBondContact O-CB 3.31Å; L404-V408 WeakPolarHBondContact O-CG2 3.35Å; L404-V408 PolarHBondContact O-N 3.3Å
405	I	47.9	Very low	46.3	Very low	88 Å²	88	98.1 Å²	98.1	45%	0.451	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-43	175.9	-71.2	165.8	0	0	0	109.8	Q401 V408 I409	Q401-I405 HydrophobicContact CB-CD1 4.49Å; Q401-I405 WeakPolarHBondContact O-CB 3.44Å; Q401-I405 WeakPolarHBondContact O-CD1 3.27Å; Q401-I405 WeakPolarHBondContact O-CG1 3.41Å; Q401-I405 PolarHBondContact O-N 2.97Å; I405-V408 PolarHBondContact O-N 3.17Å; I405-I409 HydrophobicContact CG2-CD1 3.39Å; I405-I409 HydrophobicContact CG2-CG1 4.09Å; I405-I409 WeakPolarHBondContact O-CB 3.24Å; I405-I409 WeakPolarHBondContact O-CG1 3.34Å; I405-I409 PolarHBondContact O-N 3.29Å
406	K	47.6	Very low	44.1	Very low	104 Å²	104	105.5 Å²	105.5	45%	0.452	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-35.2	174.8	-76.7	168.6	177.8	155.5	0	113.3	D402 K403 G410	D402-K406 VanDerWaalsContact O-CB 3.26Å; D402-K406 WeakPolarHBondContact O-CB 3.27Å; D402-K406 VanDerWaalsContact O-CG 3.25Å; D402-K406 WeakPolarHBondContact O-CG 3.26Å; D402-K406 PolarHBondContact O-N 3.3Å; D402-K406 WeakPolarHBondContact OD1-CE 3.38Å; D402-K406 IonicContact OD1-NZ 3.02Å; D402-K406 PolarHBondContact OD1-NZ 3.43Å; D402-K406 IonicContact OD2-NZ 3.1Å; D402-K406 PolarHBondContact OD2-NZ 3.27Å; K403-K406 PolarHBondContact O-N 2.99Å; K406-G410 WeakPolarHBondContact O-CA 3.17Å; K406-G410 PolarHBondContact O-N 2.98Å
407	E	47.2	Very low	42.5	Very low	102 Å²	102	110.3 Å²	110.3	48%	0.477	56%	0.563	S	S	.	*	H	α-helix	trans	-70.7	-39.4	174.3	-75.9	170.7	-176.9	0	0	111.7	K403 L404 F411	K403-E407 VanDerWaalsContact CE-OE1 3.28Å; K403-E407 WeakPolarHBondContact CE-OE1 3.37Å; K403-E407 WeakPolarHBondContact O-CB 3.48Å; K403-E407 VanDerWaalsContact O-CG 3.29Å; K403-E407 WeakPolarHBondContact O-CG 3.45Å; K403-E407 PolarHBondContact O-N 3.03Å; L404-E407 PolarHBondContact O-N 3.5Å; E407-F411 PolarHBondContact O-N 3.31Å; E407-F411 VanDerWaalsContact O-N 3.12Å
408	V	48.1	Very low	41.5	Very low	81 Å²	81	115.2 Å²	115.2	49%	0.491	58%	0.582	S	S	.	*	H	α-helix	trans	-73.3	-43.2	177.8	172.6	0	0	0	0	111.8	L404 I405 F411 Q412	L404-V408 VanDerWaalsContact O-CB 3.29Å; L404-V408 WeakPolarHBondContact O-CB 3.31Å; L404-V408 WeakPolarHBondContact O-CG2 3.35Å; L404-V408 PolarHBondContact O-N 3.3Å; I405-V408 PolarHBondContact O-N 3.17Å; V408-F411 PolarHBondContact O-N 2.83Å; V408-Q412 PolarHBondContact O-N 3.42Å
409	I	49.7	Very low	40.8	Very low	103 Å²	103	120.8 Å²	120.8	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-69.4	-38.4	175	-66	176.1	0	0	0	110.4	I405 F411 Q412 S413	I405-I409 HydrophobicContact CG2-CD1 3.39Å; I405-I409 HydrophobicContact CG2-CG1 4.09Å; I405-I409 WeakPolarHBondContact O-CB 3.24Å; I405-I409 WeakPolarHBondContact O-CG1 3.34Å; I405-I409 PolarHBondContact O-N 3.29Å; I409-F411 PolarHBondContact O-N 3.49Å; I409-Q412 PolarHBondContact O-N 2.6Å; I409-Q412 VanDerWaalsContact O-N 3.11Å; I409-S413 PolarHBondContact O-N 2.96Å
410	G	42.7	Very low	40.4	Very low	43 Å²	43	126.8 Å²	126.8	44%	0.443	63%	0.633	S	S	.	*	H	α-helix	trans	-57.8	-36.8	173	0	0	0	0	0	112.5	K406 S413	K406-G410 WeakPolarHBondContact O-CA 3.17Å; K406-G410 PolarHBondContact O-N 2.98Å; G410-S413 PolarHBondContact O-OG 3.07Å
411	F	42	Very low	40.3	Very low	184 Å²	184	125.7 Å²	125.7	81%	0.807	63%	0.634	S	S	*	*	H	α-helix	trans	-76.1	-25.2	174.8	-107.7	-87.5	0	0	0	114.7	E407 V408 I409	E407-F411 PolarHBondContact O-N 3.31Å; E407-F411 VanDerWaalsContact O-N 3.12Å; V408-F411 PolarHBondContact O-N 2.83Å; I409-F411 PolarHBondContact O-N 3.49Å
412	Q	44.7	Very low	40.2	Very low	146 Å²	146	122.8 Å²	122.8	68%	0.682	63%	0.629	S	S	*	*	H	α-helix	trans	-92	-12.7	179.9	-69.7	-166.3	-9.9	0	0	114	V408 I409 E414 Q415	V408-Q412 PolarHBondContact O-N 3.42Å; I409-Q412 PolarHBondContact O-N 2.6Å; I409-Q412 VanDerWaalsContact O-N 3.11Å; Q412-E414 VanDerWaalsContact C-N 3.25Å; Q412-E414 PolarHBondContact O-N 3.15Å; Q412-Q415 PolarHBondContact O-N 3.18Å
413	S	42.2	Very low	39.8	Very low	95 Å²	95	125.8 Å²	125.8	66%	0.664	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-2.7	-177.4	69.8	0	0	0	0	115.8	I409 G410	I409-S413 PolarHBondContact O-N 2.96Å; G410-S413 PolarHBondContact O-OG 3.07Å
414	E	41.1	Very low	39.5	Very low	180 Å²	180	126.1 Å²	126.1	84%	0.841	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-5	174.2	-76.9	-171.8	158.1	0	0	114.5	Q412	Q412-E414 VanDerWaalsContact C-N 3.25Å; Q412-E414 PolarHBondContact O-N 3.15Å
415	Q	37.4	Very low	39	Very low	167 Å²	167	124.2 Å²	124.2	78%	0.78	65%	0.649	S	S	*	*	S	Bend	trans	-141.8	112.5	176.1	-73.5	-172	-5.6	0	0	113.9	Q412	Q412-Q415 PolarHBondContact O-N 3.18Å
416	K	32.4	Very low	38.3	Very low	202 Å²	202	125 Å²	125	88%	0.878	66%	0.655	S	S	*	*	S	Bend	trans	75.4	133.3	157.9	-69	176.9	173.3	176.7	0	119
417	S	32.7	Very low	37.7	Very low	105 Å²	105	123.7 Å²	123.7	73%	0.734	65%	0.652	S	S	*	*			trans	81.3	79.4	166.3	-67.2	0	0	0	0	118.5
418	K	34.1	Very low	37.3	Very low	204 Å²	204	124 Å²	124	89%	0.887	66%	0.656	S	S	*	*	S	Bend	trans	-80.6	0.6	169.1	-90.5	-176.6	174.1	179.8	0	116.1
419	N	33.4	Very low	36.6	Very low	145 Å²	145	123.2 Å²	123.2	78%	0.775	65%	0.654	S	S	*	*	S	Bend	trans	-124.4	15	-164.3	-76.2	4.3	0	0	0	118.2
420	L	32.4	Very low	35.9	Very low	165 Å²	165	123.6 Å²	123.6	86%	0.864	66%	0.657	S	S	*	*	S	Bend	trans	-140.8	7.7	178.5	-101.4	112.2	0	0	0	116.7
421	L	32.9	Very low	35.7	Very low	121 Å²	121	123.4 Å²	123.4	63%	0.634	64%	0.643	S	S	*	*	S	Bend	trans	-121.6	2.1	-174.1	-76.8	163	0	0	0	114.5	T423 A425	L421-T423 PolarHBondContact O-N 3.41Å; L421-A425 WeakPolarHBondContact O-CB 3.06Å; L421-A425 PolarHBondContact O-N 3.21Å
422	S	32.3	Very low	35.3	Very low	81 Å²	81	117.6 Å²	117.6	57%	0.566	63%	0.629	S	S	*	*	H	α-helix	trans	-75.5	-20.8	-171.8	53.2	0	0	0	0	115.1	N426	S422-N426 PolarHBondContact O-ND2 3.05Å; S422-N426 VanDerWaalsContact O-ND2 3.1Å
423	T	31.5	Very low	34.7	Very low	100 Å²	100	112.6 Å²	112.6	61%	0.613	61%	0.608	S	S	*	*	H	α-helix	trans	-91.3	-38.5	-179.5	-4.4	0	0	0	0	113	L421	L421-T423 PolarHBondContact O-N 3.41Å
424	H	34	Very low	34.7	Very low	143 Å²	143	111.5 Å²	111.5	66%	0.662	59%	0.594	S	S	*	*	H	α-helix	trans	-82.7	-31.4	178	-91.1	64.4	0	0	0	113.4	I428	H424-I428 WeakPolarHBondContact O-CG1 2.96Å; H424-I428 PolarHBondContact O-N 3.33Å
425	A	32.3	Very low	34.7	Very low	49 Å²	49	104.8 Å²	104.8	41%	0.405	56%	0.564	S	S	.	*	H	α-helix	trans	-75.5	-30.2	-179.1	0	0	0	0	0	113.1	L421 C429	L421-A425 WeakPolarHBondContact O-CB 3.06Å; L421-A425 PolarHBondContact O-N 3.21Å; A425-C429 VanDerWaalsContact O-CB 3.31Å; A425-C429 WeakPolarHBondContact O-CB 3.42Å; A425-C429 PolarHBondContact O-N 3.43Å; A425-C429 VanDerWaalsContact O-N 3.09Å
426	N	33.5	Very low	34.6	Very low	105 Å²	105	97.6 Å²	97.6	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-72	-30	178.6	-79.3	-15.9	0	0	0	112.8	S422	S422-N426 PolarHBondContact O-ND2 3.05Å; S422-N426 VanDerWaalsContact O-ND2 3.1Å
427	N	36	Very low	34.7	Very low	76 Å²	76	95 Å²	95	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-74.9	-39.1	175.9	-70.4	-13.3	0	0	0	111.6	Y431	N427-Y431 VanDerWaalsContact O-CD2 3.28Å; N427-Y431 WeakPolarHBondContact O-CD2 3.06Å
428	I	38.3	Very low	35	Very low	109 Å²	109	90.9 Å²	90.9	56%	0.559	50%	0.497	S	S	*	.	H	α-helix	trans	-74.2	-32.1	-179.6	-62	168.8	0	0	0	111.8	H424 A432	H424-I428 WeakPolarHBondContact O-CG1 2.96Å; H424-I428 PolarHBondContact O-N 3.33Å; I428-A432 PolarHBondContact O-N 3.4Å
429	C	32.6	Very low	35.3	Very low	65 Å²	65	87.9 Å²	87.9	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-76	-24.7	-177.1	-142	0	0	0	0	113.6	A425 T433	A425-C429 VanDerWaalsContact O-CB 3.31Å; A425-C429 WeakPolarHBondContact O-CB 3.42Å; A425-C429 PolarHBondContact O-N 3.43Å; A425-C429 VanDerWaalsContact O-N 3.09Å; C429-T433 WeakPolarHBondContact O-CB 3.39Å; C429-T433 PolarHBondContact O-OG1 3.1Å
430	N	35	Very low	35.9	Very low	110 Å²	110	91.4 Å²	91.4	59%	0.588	48%	0.484	S	S	*	.	H	α-helix	trans	-77	-34.5	176.2	-76.2	-16.6	0	0	0	112.7	I434	N430-I434 WeakPolarHBondContact O-CD1 3.48Å; N430-I434 WeakPolarHBondContact O-CG1 3.33Å
431	Y	38.3	Very low	36.8	Very low	40 Å²	40	85.5 Å²	85.5	16%	0.157	46%	0.463	C	S	.	.	H	α-helix	trans	-79.6	-39.2	-178.7	-78.5	-72.7	0	0	0	114.1	N427 T433 A484 W536 M545	N427-Y431 VanDerWaalsContact O-CD2 3.28Å; N427-Y431 WeakPolarHBondContact O-CD2 3.06Å; Y431-T433 VanDerWaalsContact C-N 3.33Å; Y431-T433 PolarHBondContact O-N 3.08Å; Y431-A484 WeakPolarHBondContact OH-CA 3.34Å; Y431-A484 WeakPolarHBondContact OH-CB 3.39Å; Y431-W536 HydrophobicContact CD1-CZ2 4.14Å; Y431-W536 AromaticContact CE1-CZ2 3.79Å; Y431-W536 HydrophobicContact CE1-CZ2 3.79Å; Y431-M545 HydrophobicContact CE1-CE 4.24Å; Y431-M545 HydrophobicContact CE2-CE 3.8Å; Y431-M545 HydrophobicContact CE2-SD 3.47Å; Y431-M545 WeakPolarHBondContact CE2-SD 3.33Å; Y431-M545 VanDerWaalsContact CZ-CE 3.5Å; Y431-M545 VanDerWaalsContact OH-CE 3.22Å; Y431-M545 WeakPolarHBondContact OH-CE 3.15Å; Y431-M545 PolarHBondContact OH-SD 2.61Å
432	A	33.5	Very low	38.3	Very low	61 Å²	61	85.4 Å²	85.4	50%	0.504	47%	0.472	S	S	.	.	H	α-helix	trans	-72	-26.6	-179.2	0	0	0	0	0	113.1	I428	I428-A432 PolarHBondContact O-N 3.4Å
433	T	33.1	Very low	40.3	Very low	41 Å²	41	84.2 Å²	84.2	25%	0.252	46%	0.459	S	S	.	.	H	α-helix	trans	-79.8	-22.9	-173.5	-55.1	0	0	0	0	113.3	C429 Y431	C429-T433 WeakPolarHBondContact O-CB 3.39Å; C429-T433 PolarHBondContact O-OG1 3.1Å; Y431-T433 VanDerWaalsContact C-N 3.33Å; Y431-T433 PolarHBondContact O-N 3.08Å
434	I	41.6	Very low	42.6	Very low	73 Å²	73	85 Å²	85	37%	0.374	46%	0.456	S	S	.	.	H	α-helix	trans	-83.9	-30.1	-173.9	-59.8	174.3	0	0	0	111.7	N430 A491	N430-I434 WeakPolarHBondContact O-CD1 3.48Å; N430-I434 WeakPolarHBondContact O-CG1 3.33Å; I434-A491 HydrophobicContact CG2-CB 4.1Å; I434-A491 WeakPolarHBondContact CG2-O 3.2Å
435	L	40.7	Very low	45.3	Very low	38 Å²	38	78.9 Å²	78.9	20%	0.199	43%	0.427	C	S	.	.	H	α-helix	trans	-91.1	-10.9	-172.6	-70.3	168.9	0	0	0	114.7	N395 A491 L492	N395-L435 WeakPolarHBondContact CB-O 3.46Å; L435-A491 HydrophobicContact CD2-CB 4.06Å; L435-A491 VanDerWaalsContact CD2-O 3.28Å; L435-A491 WeakPolarHBondContact CD2-O 3.18Å; L435-L492 HydrophobicContact CD2-CD2 3.98Å
436	G	35.8	Very low	48	Very low	16 Å²	16	81 Å²	81	17%	0.165	44%	0.435	C	S	.	.	S	Bend	trans	-104.5	5.5	-171.2	0	0	0	0	0	117.8
437	K	35.5	Very low	50.8	Low	147 Å²	147	77.3 Å²	77.3	64%	0.639	42%	0.417	S	S	*	.	S	Bend	trans	-106.7	133.4	172.3	-66.4	178.6	-175.9	171.7	0	108	Y439	K437-Y439 PolarHBondContact O-N 3.15Å
438	G	37.3	Very low	53.5	Low	19 Å²	19	74 Å²	74	20%	0.196	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-50.4	117.3	152.7	0	0	0	0	0	105.1	R440 G441	G438-R440 CarbonylContact O-C 3.55Å; G438-R440 WeakPolarHBondContact O-CA 3.39Å; G438-R440 PolarHBondContact O-N 3.1Å; G438-G441 PolarHBondContact N-O 3.06Å; G438-G441 PolarHBondContact O-N 3.1Å
439	Y	42.1	Very low	56.1	Low	142 Å²	142	73 Å²	73	56%	0.557	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-17.1	-167	-179.1	-102.1	0	0	0	113.1	K437 G489	K437-Y439 PolarHBondContact O-N 3.15Å; Y439-G489 VanDerWaalsContact CE2-O 3.29Å; Y439-G489 WeakPolarHBondContact CE2-O 3.17Å; Y439-G489 PolarHBondContact OH-O 3.39Å
440	R	44.1	Very low	59.1	Low	219 Å²	219	71.3 Å²	71.3	83%	0.826	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	27.3	167.3	-58.8	-174.7	178.8	172.4	-0.5	115.7	G438	G438-R440 CarbonylContact O-C 3.55Å; G438-R440 WeakPolarHBondContact O-CA 3.39Å; G438-R440 PolarHBondContact O-N 3.1Å
441	G	51.5	Low	62	Low	40 Å²	40	66.1 Å²	66.1	41%	0.412	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-162.9	157.7	-175.8	0	0	0	0	0	117.4	G438 L443	G438-G441 PolarHBondContact N-O 3.06Å; G438-G441 PolarHBondContact O-N 3.1Å; G441-L443 VanDerWaalsContact C-N 3.31Å; G441-L443 PolarHBondContact O-N 3.42Å
442	S	64.2	Low	64.7	Low	120 Å²	120	65.2 Å²	65.2	84%	0.839	36%	0.36	S	S	*	.			trans	-89.8	25	-178.9	66.2	0	0	0	0	114
443	L	74.4	Confident	67.5	Low	55 Å²	55	65 Å²	65	29%	0.288	35%	0.351	S	S	.	.			trans	-79.7	135.1	-178	-67.5	168.1	0	0	0	109.7	R349 V352 G441 W445	R349-L443 VanDerWaalsContact NH2-CD1 3.32Å; V352-L443 HydrophobicContact CG2-CD2 4.48Å; G441-L443 VanDerWaalsContact C-N 3.31Å; G441-L443 PolarHBondContact O-N 3.42Å; L443-W445 HydrophobicContact CB-CE3 4.29Å; L443-W445 HydrophobicContact CB-CZ3 4.19Å; L443-W445 VanDerWaalsContact O-CZ3 3.32Å; L443-W445 WeakPolarHBondContact O-CZ3 3.44Å
444	E	81.1	Confident	70.5	Confident	116 Å²	116	63.1 Å²	63.1	54%	0.542	34%	0.339	S	S	.	.			trans	-117	141.1	174	-63.5	179.3	179.4	0	0	108.9	V352 G396 A399	V352-E444 WeakPolarHBondContact CG2-O 3.12Å; G396-E444 WeakPolarHBondContact O-CA 3.23Å; A399-E444 HydrophobicContact CB-CG 4.41Å
445	W	89.6	Confident	73	Confident	15 Å²	15	59.6 Å²	59.6	6%	0.057	32%	0.321	C	S	.	.			trans	-151	162.2	176.5	63.9	93.5	0	0	0	111.9	N348 V352 T392 Y393 G396 M397 L443 P447	N348-W445 HydrophobicContact CB-CD2 3.64Å; N348-W445 HydrophobicContact CB-CE3 3.72Å; N348-W445 HydrophobicContact CB-CG 4.41Å; N348-W445 HydrophobicContact CB-CH2 3.61Å; N348-W445 HydrophobicContact CB-CZ2 3.49Å; N348-W445 VanDerWaalsContact CB-CZ2 3.49Å; N348-W445 HydrophobicContact CB-CZ3 3.72Å; V352-W445 HydrophobicContact CG2-CB 4Å; T392-W445 VanDerWaalsContact O-CZ2 3.28Å; T392-W445 WeakPolarHBondContact O-CZ2 3.06Å; Y393-W445 AromaticContact CD2-NE1 3.43Å; Y393-W445 AromaticContact CE2-CD1 3.83Å; Y393-W445 AromaticContact CE2-NE1 3.71Å; Y393-W445 PolarHBondContact O-NE1 2.63Å; G396-W445 CarbonylContact C-O 3.56Å; G396-W445 PolarHBondContact O-N 3.4Å; G396-W445 VanDerWaalsContact O-O 3.11Å; M397-W445 WeakPolarHBondContact CG-O 3.42Å; L443-W445 HydrophobicContact CB-CE3 4.29Å; L443-W445 HydrophobicContact CB-CZ3 4.19Å; L443-W445 VanDerWaalsContact O-CZ3 3.32Å; L443-W445 WeakPolarHBondContact O-CZ3 3.44Å; W445-P447 WeakPolarHBondContact O-CD 3.42Å
446	T	89.6	Confident	75.5	Confident	95 Å²	95	59.1 Å²	59.1	58%	0.583	32%	0.317	S	S	*	.			trans	-91.7	114.2	170.8	-53.4	0	0	0	0	109.3	M397 V448	M397-T446 VanDerWaalsContact CE-CA 3.44Å; M397-T446 HydrophobicContact CE-CG2 3.38Å; M397-T446 WeakPolarHBondContact CE-OG1 3.27Å; T446-V448 PolarHBondContact O-N 2.88Å
447	P	91.5	Very high	78.1	Confident	27 Å²	27	62.3 Å²	62.3	18%	0.175	33%	0.327	C	S	.	.			trans	-60.9	136.8	173.2	-15.4	26.8	0	0	0	110.2	Y393 K394 W445 P449 V452	Y393-P447 HydrophobicContact CE1-CB 4.33Å; Y393-P447 WeakPolarHBondContact O-CG 3.46Å; K394-P447 WeakPolarHBondContact O-CG 3.12Å; W445-P447 WeakPolarHBondContact O-CD 3.42Å; P447-P449 WeakPolarHBondContact O-CD 3.4Å; P447-V452 HydrophobicContact CB-CG2 3.94Å
448	V	94.4	Very high	80.8	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.03	30%	0.296	C	S	.	.			trans	-87.5	114.5	175.6	175.1	0	0	0	0	109	L356 E358 A363 Y393 T446 S450 V451 V452	L356-V448 HydrophobicContact CG-CG2 4.02Å; L356-V448 WeakPolarHBondContact O-CG2 3.49Å; E358-V448 HydrophobicContact CB-CG1 4.24Å; E358-V448 WeakPolarHBondContact OE2-CG1 3.27Å; A363-V448 HydrophobicContact CB-CG1 4.36Å; Y393-V448 WeakPolarHBondContact OH-CB 3.35Å; Y393-V448 WeakPolarHBondContact OH-CG2 3.39Å; Y393-V448 PolarHBondContact OH-N 3.16Å; Y393-V448 VanDerWaalsContact OH-N 3.14Å; T446-V448 PolarHBondContact O-N 2.88Å; V448-S450 VanDerWaalsContact C-N 3.31Å; V448-S450 WeakPolarHBondContact CG1-OG 3.21Å; V448-S450 PolarHBondContact O-N 3.49Å; V448-V451 HydrophobicContact CB-CB 4.26Å; V448-V451 HydrophobicContact CB-CG2 4.04Å; V448-V451 HydrophobicContact CG1-CB 4.46Å; V448-V451 HydrophobicContact CG1-CG2 3.93Å; V448-V451 PolarHBondContact O-N 2.9Å; V448-V452 WeakPolarHBondContact O-CG2 3.33Å; V448-V452 PolarHBondContact O-N 2.73Å; V448-V452 VanDerWaalsContact O-N 3.07Å
449	P	93.1	Very high	83.4	Confident	88 Å²	88	54.4 Å²	54.4	57%	0.571	29%	0.287	S	S	*	.	H	α-helix	trans	-50.6	-43	-175.4	-31.3	34.9	0	0	0	115	E358 P447 V451 V452 D453	E358-P449 WeakPolarHBondContact OE2-CD 3.45Å; P447-P449 WeakPolarHBondContact O-CD 3.4Å; P449-V451 VanDerWaalsContact C-N 3.3Å; P449-V451 PolarHBondContact O-N 3.01Å; P449-V452 PolarHBondContact O-N 3.38Å; P449-D453 PolarHBondContact O-N 3.07Å
450	S	95.5	Very high	85.6	Confident	31 Å²	31	48.4 Å²	48.4	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-32.4	179.8	52.9	0	0	0	0	113.5	E358 V367 V448 A454	E358-S450 WeakPolarHBondContact OE1-CB 3.31Å; E358-S450 PolarHBondContact OE1-OG 3.32Å; E358-S450 PolarHBondContact OE2-N 3.17Å; E358-S450 VanDerWaalsContact OE2-N 3.14Å; E358-S450 PolarHBondContact OE2-OG 2.96Å; V367-S450 WeakPolarHBondContact CG2-O 3.32Å; V448-S450 VanDerWaalsContact C-N 3.31Å; V448-S450 WeakPolarHBondContact CG1-OG 3.21Å; V448-S450 PolarHBondContact O-N 3.49Å; S450-A454 VanDerWaalsContact O-CB 3.3Å; S450-A454 WeakPolarHBondContact O-CB 3.05Å; S450-A454 PolarHBondContact O-N 3.06Å; S450-A454 VanDerWaalsContact O-N 3.11Å
451	V	95.6	Very high	87.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-74.8	-39.3	175.6	176.3	0	0	0	0	111	L347 L356 A363 I366 V367 L370 Y393 V448 P449 A454 L455	L347-V451 HydrophobicContact CD1-CG1 4.2Å; L347-V451 HydrophobicContact CD2-CG1 4.46Å; L356-V451 HydrophobicContact CD1-CG2 3.96Å; L356-V451 HydrophobicContact CD2-CG2 4.35Å; L356-V451 HydrophobicContact CG-CG2 4.41Å; A363-V451 HydrophobicContact CB-CG2 4.43Å; I366-V451 HydrophobicContact CG2-CG1 4.27Å; I366-V451 HydrophobicContact CG2-CG2 4.43Å; V367-V451 HydrophobicContact CG2-CG2 4.15Å; L370-V451 HydrophobicContact CD1-CG1 4.44Å; Y393-V451 HydrophobicContact CD1-CG1 4.06Å; Y393-V451 HydrophobicContact CE1-CB 3.85Å; Y393-V451 HydrophobicContact CE1-CG1 3.62Å; V448-V451 HydrophobicContact CB-CB 4.26Å; V448-V451 HydrophobicContact CB-CG2 4.04Å; V448-V451 HydrophobicContact CG1-CB 4.46Å; V448-V451 HydrophobicContact CG1-CG2 3.93Å; V448-V451 PolarHBondContact O-N 2.9Å; P449-V451 VanDerWaalsContact C-N 3.3Å; P449-V451 PolarHBondContact O-N 3.01Å; V451-A454 PolarHBondContact O-N 3.13Å; V451-L455 HydrophobicContact CG1-CD1 4.07Å; V451-L455 HydrophobicContact CG1-CG 4.44Å; V451-L455 WeakPolarHBondContact O-CB 3.4Å; V451-L455 WeakPolarHBondContact O-CG 3.35Å; V451-L455 PolarHBondContact O-N 2.86Å
452	V	93.6	Very high	89.3	Confident	21 Å²	21	39.4 Å²	39.4	13%	0.127	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-52.4	175.1	175.4	0	0	0	0	109.9	H390 Y393 K394 P447 V448 P449 A454 L455 E456	H390-V452 PolarHBondContact CD2-O 2.63Å; H390-V452 VanDerWaalsContact NE2-CG1 3.27Å; H390-V452 WeakPolarHBondContact NE2-CG1 3.33Å; H390-V452 PolarHBondContact NE2-O 3.4Å; Y393-V452 HydrophobicContact CD1-CG2 3.84Å; Y393-V452 HydrophobicContact CE1-CG2 4Å; K394-V452 HydrophobicContact CB-CG1 4.36Å; K394-V452 HydrophobicContact CB-CG2 4.5Å; K394-V452 HydrophobicContact CD-CG1 4.31Å; K394-V452 HydrophobicContact CG-CG1 4.13Å; P447-V452 HydrophobicContact CB-CG2 3.94Å; V448-V452 WeakPolarHBondContact O-CG2 3.33Å; V448-V452 PolarHBondContact O-N 2.73Å; V448-V452 VanDerWaalsContact O-N 3.07Å; P449-V452 PolarHBondContact O-N 3.38Å; V452-A454 VanDerWaalsContact C-N 3.31Å; V452-A454 PolarHBondContact O-N 3Å; V452-L455 PolarHBondContact O-N 2.94Å; V452-E456 PolarHBondContact O-N 3.37Å
453	D	93.5	Very high	90.1	Very high	58 Å²	58	34 Å²	34	31%	0.31	19%	0.185	S	C	.	.	H	α-helix	trans	-57.5	-41.3	175.9	171.9	74.4	0	0	0	112.7	R371 P449 E456 K457	R371-D453 IonicContact NH2-OD2 3.86Å; P449-D453 PolarHBondContact O-N 3.07Å; D453-E456 PolarHBondContact O-N 2.83Å; D453-K457 WeakPolarHBondContact O-CG 3.23Å; D453-K457 PolarHBondContact O-N 3.39Å; D453-K457 WeakPolarHBondContact OD1-CE 3.18Å; D453-K457 IonicContact OD1-NZ 3.16Å; D453-K457 PolarHBondContact OD1-NZ 2.94Å; D453-K457 WeakPolarHBondContact OD2-CE 3.31Å; D453-K457 IonicContact OD2-NZ 2.6Å; D453-K457 PolarHBondContact OD2-NZ 3.13Å
454	A	94.8	Very high	90.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.4	-37.9	179.2	0	0	0	0	0	113	V367 L370 S450 V451 V452 A458	V367-A454 HydrophobicContact CB-CB 4.32Å; V367-A454 HydrophobicContact CG1-CB 4.07Å; V367-A454 HydrophobicContact CG2-CB 4.01Å; L370-A454 HydrophobicContact CB-CB 3.95Å; L370-A454 HydrophobicContact CD1-CB 3.74Å; L370-A454 HydrophobicContact CG-CB 4.49Å; S450-A454 VanDerWaalsContact O-CB 3.3Å; S450-A454 WeakPolarHBondContact O-CB 3.05Å; S450-A454 PolarHBondContact O-N 3.06Å; S450-A454 VanDerWaalsContact O-N 3.11Å; V451-A454 PolarHBondContact O-N 3.13Å; V452-A454 VanDerWaalsContact C-N 3.31Å; V452-A454 PolarHBondContact O-N 3Å; A454-A458 VanDerWaalsContact O-CB 3.23Å; A454-A458 WeakPolarHBondContact O-CB 3.31Å; A454-A458 PolarHBondContact O-N 3.39Å
455	L	94.3	Very high	89.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-44.7	174.9	-79.6	165.8	0	0	0	111.6	L344 L347 L370 L386 A389 H390 Y393 V451 V452 A458 F459	L344-L455 HydrophobicContact CD2-CD2 3.56Å; L347-L455 HydrophobicContact CD1-CD1 3.67Å; L347-L455 HydrophobicContact CD1-CD2 4.12Å; L347-L455 HydrophobicContact CD1-CG 4.33Å; L370-L455 HydrophobicContact CD1-CD2 4.17Å; L370-L455 HydrophobicContact CD1-CG 3.98Å; L370-L455 HydrophobicContact CD2-CD2 3.67Å; L370-L455 HydrophobicContact CD2-CG 4.29Å; L386-L455 HydrophobicContact CD2-CD2 4.48Å; A389-L455 HydrophobicContact CB-CD2 4.11Å; H390-L455 HydrophobicContact CB-CB 3.98Å; Y393-L455 HydrophobicContact CD1-CD1 4.06Å; Y393-L455 HydrophobicContact CG-CD1 4.47Å; V451-L455 HydrophobicContact CG1-CD1 4.07Å; V451-L455 HydrophobicContact CG1-CG 4.44Å; V451-L455 WeakPolarHBondContact O-CB 3.4Å; V451-L455 WeakPolarHBondContact O-CG 3.35Å; V451-L455 PolarHBondContact O-N 2.86Å; V452-L455 PolarHBondContact O-N 2.94Å; L455-A458 PolarHBondContact O-N 3.44Å; L455-F459 PolarHBondContact O-N 3.12Å
456	E	93.1	Very high	89.3	Confident	28 Å²	28	33.8 Å²	33.8	13%	0.131	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-50.4	176	-179.8	172.2	-171.5	0	0	110	V452 D453 A458 F459 Y460 G531 Y532	V452-E456 PolarHBondContact O-N 3.37Å; D453-E456 PolarHBondContact O-N 2.83Å; E456-A458 VanDerWaalsContact C-N 3.34Å; E456-A458 PolarHBondContact O-N 3.37Å; E456-F459 WeakPolarHBondContact O-CB 3.26Å; E456-F459 PolarHBondContact O-N 3.37Å; E456-F459 VanDerWaalsContact O-N 3.16Å; E456-Y460 HydrophobicContact CG-CD2 4.2Å; E456-Y460 HydrophobicContact CG-CE2 3.56Å; E456-Y460 WeakPolarHBondContact O-CD2 3.25Å; E456-Y460 PolarHBondContact O-N 3.1Å; E456-G531 WeakPolarHBondContact OE1-CA 3.43Å; E456-Y532 HydrophobicContact CG-CD1 4.38Å; E456-Y532 HydrophobicContact CG-CE1 4.4Å
457	K	91.7	Very high	89.1	Confident	82 Å²	82	36.7 Å²	36.7	36%	0.357	20%	0.198	S	C	.	.	H	α-helix	trans	-58.5	-44.5	176.8	-74.2	169	-179.9	160.9	0	112.3	D453 F459 Y460 N461	D453-K457 WeakPolarHBondContact O-CG 3.23Å; D453-K457 PolarHBondContact O-N 3.39Å; D453-K457 WeakPolarHBondContact OD1-CE 3.18Å; D453-K457 IonicContact OD1-NZ 3.16Å; D453-K457 PolarHBondContact OD1-NZ 2.94Å; D453-K457 WeakPolarHBondContact OD2-CE 3.31Å; D453-K457 IonicContact OD2-NZ 2.6Å; D453-K457 PolarHBondContact OD2-NZ 3.13Å; K457-F459 VanDerWaalsContact C-N 3.29Å; K457-F459 PolarHBondContact O-N 3.12Å; K457-Y460 PolarHBondContact O-N 2.83Å; K457-N461 WeakPolarHBondContact O-CB 3.5Å; K457-N461 PolarHBondContact O-N 3.49Å; K457-N461 VanDerWaalsContact O-N 3.09Å; K457-N461 PolarHBondContact O-ND2 2.71Å
458	A	92.3	Very high	89.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-38.9	177.2	0	0	0	0	0	112.2	L370 L376 L386 A454 L455 E456 N461 S462	L370-A458 HydrophobicContact CB-CB 4.42Å; L370-A458 HydrophobicContact CD2-CB 4Å; L370-A458 WeakPolarHBondContact O-CB 3.38Å; L376-A458 HydrophobicContact CD1-CB 4.09Å; L386-A458 HydrophobicContact CD1-CB 4.3Å; L386-A458 WeakPolarHBondContact CD1-O 3.36Å; L386-A458 HydrophobicContact CD2-CB 3.89Å; A454-A458 VanDerWaalsContact O-CB 3.23Å; A454-A458 WeakPolarHBondContact O-CB 3.31Å; A454-A458 PolarHBondContact O-N 3.39Å; L455-A458 PolarHBondContact O-N 3.44Å; E456-A458 VanDerWaalsContact C-N 3.34Å; E456-A458 PolarHBondContact O-N 3.37Å; A458-N461 CarbonylContact O-C 3.57Å; A458-N461 WeakPolarHBondContact O-CB 3.06Å; A458-N461 PolarHBondContact O-N 2.79Å; A458-S462 WeakPolarHBondContact O-CB 3.24Å; A458-S462 PolarHBondContact O-N 2.88Å
459	F	91.3	Very high	89.2	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-54.3	176.2	162	-111.7	0	0	0	111.9	P383 L386 L387 L455 E456 K457 N461 S462 F463 A500 M501 F626	P383-F459 HydrophobicContact CB-CD2 3.86Å; P383-F459 HydrophobicContact CB-CE2 3.74Å; P383-F459 VanDerWaalsContact O-CD2 3.28Å; P383-F459 WeakPolarHBondContact O-CD2 3.46Å; L386-F459 HydrophobicContact CB-CB 3.99Å; L387-F459 HydrophobicContact CB-CD2 3.76Å; L387-F459 HydrophobicContact CB-CE2 3.84Å; L387-F459 HydrophobicContact CB-CG 4.29Å; L387-F459 HydrophobicContact CB-CZ 4.47Å; L387-F459 HydrophobicContact CD1-CD1 4.27Å; L387-F459 HydrophobicContact CD1-CE1 4.26Å; L387-F459 HydrophobicContact CD1-CG 4.41Å; L387-F459 HydrophobicContact CD1-CZ 4.36Å; L387-F459 HydrophobicContact CD2-CE2 4.28Å; L387-F459 HydrophobicContact CD2-CZ 4.24Å; L387-F459 HydrophobicContact CG-CE2 4.43Å; L455-F459 PolarHBondContact O-N 3.12Å; E456-F459 WeakPolarHBondContact O-CB 3.26Å; E456-F459 PolarHBondContact O-N 3.37Å; E456-F459 VanDerWaalsContact O-N 3.16Å; K457-F459 VanDerWaalsContact C-N 3.29Å; K457-F459 PolarHBondContact O-N 3.12Å; F459-N461 VanDerWaalsContact C-N 3.26Å; F459-N461 PolarHBondContact O-N 2.97Å; F459-S462 WeakPolarHBondContact O-CB 3.17Å; F459-S462 PolarHBondContact O-N 2.93Å; F459-S462 VanDerWaalsContact O-N 3.13Å; F459-S462 PolarHBondContact O-OG 3.31Å; F459-F463 HydrophobicContact CD2-CE2 4.15Å; F459-F463 HydrophobicContact CE1-CE2 4.41Å; F459-F463 AromaticContact CE2-CE2 3.6Å; F459-F463 HydrophobicContact CE2-CE2 3.6Å; F459-F463 AromaticContact CE2-CZ 3.98Å; F459-F463 HydrophobicContact CE2-CZ 3.98Å; F459-F463 AromaticContact CZ-CE2 3.76Å; F459-F463 HydrophobicContact CZ-CE2 3.76Å; F459-F463 HydrophobicContact CZ-CZ 4.17Å; F459-F463 WeakPolarHBondContact O-CD2 3.34Å; F459-A500 HydrophobicContact CE1-CB 3.96Å; F459-A500 HydrophobicContact CZ-CB 4.22Å; F459-M501 HydrophobicContact CZ-CG 4.3Å; F459-F626 HydrophobicContact CE2-CD1 4.39Å; F459-F626 AromaticContact CE2-CE1 3.96Å; F459-F626 HydrophobicContact CE2-CE1 3.96Å; F459-F626 HydrophobicContact CZ-CE1 4.33Å
460	Y	89.3	Confident	89.2	Confident	15 Å²	15	37.6 Å²	37.6	6%	0.059	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-35.4	179.7	-62.9	-80.1	0	0	0	112.7	E456 K457 S462 F463 A500 L503 I504	E456-Y460 HydrophobicContact CG-CD2 4.2Å; E456-Y460 HydrophobicContact CG-CE2 3.56Å; E456-Y460 WeakPolarHBondContact O-CD2 3.25Å; E456-Y460 PolarHBondContact O-N 3.1Å; K457-Y460 PolarHBondContact O-N 2.83Å; Y460-S462 PolarHBondContact O-N 3.02Å; Y460-F463 PolarHBondContact O-N 3.38Å; Y460-A500 VanDerWaalsContact CE1-O 3.31Å; Y460-A500 WeakPolarHBondContact CE1-O 3.48Å; Y460-L503 HydrophobicContact CE1-CB 3.73Å; Y460-I504 HydrophobicContact CD1-CG1 3.81Å; Y460-I504 HydrophobicContact CE1-CG1 4.3Å
461	N	86.5	Confident	89.3	Confident	53 Å²	53	39.5 Å²	39.5	28%	0.283	22%	0.217	S	C	.	.	H	α-helix	trans	-68.7	-17.4	177	-84.1	-1.3	0	0	0	114.3	M373 K457 A458 F459 F463	M373-N461 HydrophobicContact CE-CB 3.36Å; M373-N461 WeakPolarHBondContact CE-O 3.39Å; M373-N461 HydrophobicContact SD-CB 3.31Å; M373-N461 WeakPolarHBondContact SD-CB 3.3Å; M373-N461 PolarHBondContact SD-ND2 3.41Å; K457-N461 WeakPolarHBondContact O-CB 3.5Å; K457-N461 PolarHBondContact O-N 3.49Å; K457-N461 VanDerWaalsContact O-N 3.09Å; K457-N461 PolarHBondContact O-ND2 2.71Å; A458-N461 CarbonylContact O-C 3.57Å; A458-N461 WeakPolarHBondContact O-CB 3.06Å; A458-N461 PolarHBondContact O-N 2.79Å; F459-N461 VanDerWaalsContact C-N 3.26Å; F459-N461 PolarHBondContact O-N 2.97Å; N461-F463 VanDerWaalsContact C-N 3.29Å
462	S	85.2	Confident	89.4	Confident	17 Å²	17	43.7 Å²	43.7	12%	0.119	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.5	179	69.5	0	0	0	0	113.9	P383 A458 F459 Y460	P383-S462 WeakPolarHBondContact CA-OG 3.46Å; P383-S462 WeakPolarHBondContact CB-OG 3.27Å; P383-S462 WeakPolarHBondContact CG-OG 3.47Å; A458-S462 WeakPolarHBondContact O-CB 3.24Å; A458-S462 PolarHBondContact O-N 2.88Å; F459-S462 WeakPolarHBondContact O-CB 3.17Å; F459-S462 PolarHBondContact O-N 2.93Å; F459-S462 VanDerWaalsContact O-N 3.13Å; F459-S462 PolarHBondContact O-OG 3.31Å; Y460-S462 PolarHBondContact O-N 3.02Å
463	F	81.5	Confident	89.6	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.035	23%	0.227	C	C	.	.	S	Bend	trans	-78.3	157.4	170.2	-69.6	-84.1	0	0	0	111.5	P383 F459 Y460 N461 L465 M501 I504 P631	P383-F463 HydrophobicContact CB-CD2 4.18Å; P383-F463 HydrophobicContact CB-CE1 4.04Å; P383-F463 HydrophobicContact CB-CE2 3.51Å; P383-F463 HydrophobicContact CB-CZ 3.43Å; P383-F463 VanDerWaalsContact CB-CZ 3.43Å; P383-F463 HydrophobicContact CG-CD1 4.04Å; P383-F463 HydrophobicContact CG-CD2 4.16Å; P383-F463 HydrophobicContact CG-CE1 3.77Å; P383-F463 HydrophobicContact CG-CE2 3.9Å; P383-F463 HydrophobicContact CG-CG 4.23Å; P383-F463 HydrophobicContact CG-CZ 3.7Å; F459-F463 HydrophobicContact CD2-CE2 4.15Å; F459-F463 HydrophobicContact CE1-CE2 4.41Å; F459-F463 AromaticContact CE2-CE2 3.6Å; F459-F463 HydrophobicContact CE2-CE2 3.6Å; F459-F463 AromaticContact CE2-CZ 3.98Å; F459-F463 HydrophobicContact CE2-CZ 3.98Å; F459-F463 AromaticContact CZ-CE2 3.76Å; F459-F463 HydrophobicContact CZ-CE2 3.76Å; F459-F463 HydrophobicContact CZ-CZ 4.17Å; F459-F463 WeakPolarHBondContact O-CD2 3.34Å; Y460-F463 PolarHBondContact O-N 3.38Å; N461-F463 VanDerWaalsContact C-N 3.29Å; F463-L465 PolarHBondContact O-N 2.98Å; F463-M501 HydrophobicContact CE1-CE 4.35Å; F463-M501 HydrophobicContact CZ-CE 4.37Å; F463-I504 HydrophobicContact CD1-CD1 3.99Å; F463-I504 HydrophobicContact CD2-CD1 3.51Å; F463-I504 HydrophobicContact CD2-CG1 4.05Å; F463-I504 HydrophobicContact CE1-CD1 3.76Å; F463-I504 HydrophobicContact CE2-CD1 3.24Å; F463-I504 HydrophobicContact CE2-CG1 4.04Å; F463-I504 HydrophobicContact CG-CD1 3.87Å; F463-I504 HydrophobicContact CZ-CD1 3.37Å; F463-P631 HydrophobicContact CB-CG 4.04Å; F463-P631 HydrophobicContact CD1-CG 3.93Å; F463-P631 HydrophobicContact CG-CG 4.28Å
464	S	74	Confident	89.9	Confident	18 Å²	18	40.1 Å²	40.1	13%	0.126	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-56.6	124.5	171.5	-76.8	0	0	0	0	110.8	V466 P628	S464-V466 PolarHBondContact O-N 3.37Å; S464-P628 PolarHBondContact N-O 2.68Å; S464-P628 VanDerWaalsContact N-O 3.09Å
465	L	75.1	Confident	90	Very high	127 Å²	127	40.1 Å²	40.1	67%	0.665	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-61.2	125.9	166.9	-64.3	174	0	0	0	108.6	F463	F463-L465 PolarHBondContact O-N 2.98Å
466	V	79.5	Confident	90.1	Very high	35 Å²	35	40.1 Å²	40.1	21%	0.212	21%	0.212	C	C	.	.			trans	-127.9	142.4	178	-67.9	0	0	0	0	109.4	S464 T508 P631 E632 N635	S464-V466 PolarHBondContact O-N 3.37Å; V466-T508 HydrophobicContact CG2-CG2 4Å; V466-P631 HydrophobicContact CG1-CB 4.1Å; V466-P631 HydrophobicContact CG2-CB 4.07Å; V466-E632 HydrophobicContact CG1-CB 4.06Å; V466-N635 HydrophobicContact CB-CB 4.45Å; V466-N635 HydrophobicContact CG1-CB 4.4Å
467	E	86	Confident	90.3	Very high	156 Å²	156	38.8 Å²	38.8	73%	0.729	21%	0.206	S	C	*	.			trans	-67.1	139	170	-68.5	-59.2	145.3	0	0	109.3	T469 N635	E467-T469 PolarHBondContact O-N 2.79Å; E467-N635 PolarHBondContact O-ND2 3.4Å
468	P	92.1	Very high	90.4	Very high	71 Å²	71	34.9 Å²	34.9	46%	0.461	19%	0.189	S	C	.	.			trans	-56.9	136.9	175.8	-21.9	32.8	0	0	0	111.4	G470 T508	P468-G470 VanDerWaalsContact C-N 3.28Å; P468-T508 HydrophobicContact CB-CG2 4.31Å; P468-T508 WeakPolarHBondContact CB-O 3.33Å; P468-T508 HydrophobicContact CG-CG2 4.23Å; P468-T508 VanDerWaalsContact CG-O 3.22Å; P468-T508 WeakPolarHBondContact CG-O 3.35Å
469	T	94.8	Very high	90.3	Very high	20 Å²	20	34.9 Å²	34.9	12%	0.123	19%	0.189	C	C	.	.			trans	-75	-22.5	174.2	64.8	0	0	0	0	111.9	E467 K471 F473 E509 N635 I638 L639	E467-T469 PolarHBondContact O-N 2.79Å; T469-K471 PolarHBondContact O-N 3.01Å; T469-K471 PolarHBondContact OG1-N 3.35Å; T469-F473 VanDerWaalsContact OG1-CE2 3.3Å; T469-F473 WeakPolarHBondContact OG1-CE2 3.19Å; T469-F473 WeakPolarHBondContact OG1-CZ 3.46Å; T469-E509 WeakPolarHBondContact CB-OE1 3.38Å; T469-E509 WeakPolarHBondContact CG2-OE1 3.49Å; T469-E509 PolarHBondContact N-OE1 3.47Å; T469-E509 PolarHBondContact N-OE2 3.23Å; T469-E509 VanDerWaalsContact OG1-CD 3.25Å; T469-E509 PolarHBondContact OG1-OE1 3.33Å; T469-E509 PolarHBondContact OG1-OE2 3.15Å; T469-N635 HydrophobicContact CG2-CB 4.47Å; T469-N635 WeakPolarHBondContact CG2-ND2 3.48Å; T469-I638 HydrophobicContact CG2-CB 4.18Å; T469-I638 HydrophobicContact CG2-CG2 3.83Å; T469-L639 HydrophobicContact CG2-CD2 4.32Å; T469-L639 HydrophobicContact CG2-CG 4.29Å
470	G	94.7	Very high	90.2	Very high	49 Å²	49	34.8 Å²	34.8	51%	0.505	19%	0.189	S	C	.	.			trans	72.1	11.3	-176	0	0	0	0	0	113.6	P468 E509	P468-G470 VanDerWaalsContact C-N 3.28Å; G470-E509 PolarHBondContact N-OE2 3.41Å
471	K	97	Very high	90	Very high	70 Å²	70	35.2 Å²	35.2	30%	0.304	20%	0.198	S	C	.	.			trans	-84.1	168.1	179	-64.6	-64.4	-172.9	167.9	0	111.5	T469 F473 D565 V566 I638	T469-K471 PolarHBondContact O-N 3.01Å; T469-K471 PolarHBondContact OG1-N 3.35Å; K471-F473 HydrophobicContact CB-CD2 4.39Å; K471-F473 HydrophobicContact CB-CE2 3.8Å; K471-F473 VanDerWaalsContact O-CD2 3.29Å; K471-F473 WeakPolarHBondContact O-CD2 3.35Å; K471-D565 HydrophobicContact CB-CB 4.07Å; K471-D565 HydrophobicContact CD-CB 4.04Å; K471-D565 HydrophobicContact CG-CB 4.44Å; K471-V566 HydrophobicContact CB-CG2 4.44Å; K471-I638 HydrophobicContact CB-CG2 4.33Å; K471-I638 HydrophobicContact CG-CG2 3.77Å
472	R	97.9	Very high	90	Very high	89 Å²	89	33 Å²	33	34%	0.336	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.1	177.7	-59.6	165.2	-62.4	179.2	3.1	109.5	H511 K563 F564 D565 V566	R472-H511 HydrophobicContact CG-CB 4.16Å; R472-K563 WeakPolarHBondContact CB-O 3.36Å; R472-K563 VanDerWaalsContact CD-O 3.22Å; R472-K563 WeakPolarHBondContact CD-O 3.29Å; R472-K563 PolarHBondContact NE-O 3.06Å; R472-F564 HydrophobicContact CB-CD1 4.31Å; R472-F564 CarbonylContact O-C 3.53Å; R472-F564 WeakPolarHBondContact O-CA 3.33Å; R472-D565 WeakPolarHBondContact CB-OD2 3.34Å; R472-D565 IonicContact CZ-OD1 3.53Å; R472-D565 IonicContact CZ-OD2 3.82Å; R472-D565 PolarHBondContact N-OD2 3.27Å; R472-D565 IonicContact NE-OD1 3.49Å; R472-D565 PolarHBondContact NE-OD1 2.84Å; R472-D565 IonicContact NE-OD2 3.01Å; R472-D565 PolarHBondContact NE-OD2 2.86Å; R472-D565 IonicContact NH2-OD1 2.73Å; R472-D565 PolarHBondContact NH2-OD1 3.48Å; R472-D565 IonicContact NH2-OD2 3.75Å; R472-D565 PolarHBondContact O-N 3.23Å; R472-V566 PolarHBondContact O-N 2.97Å
473	F	98.1	Very high	90.2	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.5	-174.4	-71.9	-110.5	0	0	0	111.7	T469 K471 I475 E509 H511 C512 S513 F564 V566 V568 I638	T469-F473 VanDerWaalsContact OG1-CE2 3.3Å; T469-F473 WeakPolarHBondContact OG1-CE2 3.19Å; T469-F473 WeakPolarHBondContact OG1-CZ 3.46Å; K471-F473 HydrophobicContact CB-CD2 4.39Å; K471-F473 HydrophobicContact CB-CE2 3.8Å; K471-F473 VanDerWaalsContact O-CD2 3.29Å; K471-F473 WeakPolarHBondContact O-CD2 3.35Å; F473-I475 HydrophobicContact CB-CD1 3.94Å; F473-I475 HydrophobicContact CB-CG1 4.48Å; F473-I475 HydrophobicContact CD1-CD1 4.08Å; F473-I475 HydrophobicContact CG-CD1 4.48Å; F473-E509 HydrophobicContact CD2-CB 3.99Å; F473-E509 HydrophobicContact CD2-CG 3.83Å; F473-E509 HydrophobicContact CE1-CG 4.41Å; F473-E509 HydrophobicContact CE2-CB 4.02Å; F473-E509 HydrophobicContact CE2-CG 3.39Å; F473-E509 HydrophobicContact CZ-CG 3.71Å; F473-E509 WeakPolarHBondContact CZ-OE1 3.36Å; F473-H511 PolarHBondContact N-O 3.18Å; F473-C512 HydrophobicContact CB-CB 4.45Å; F473-C512 WeakPolarHBondContact O-CA 3.45Å; F473-S513 PolarHBondContact O-N 3.48Å; F473-F564 WeakPolarHBondContact O-CD1 3.29Å; F473-F564 VanDerWaalsContact O-CE1 3.27Å; F473-F564 WeakPolarHBondContact O-CE1 3.33Å; F473-V566 WeakPolarHBondContact CA-O 3.43Å; F473-V566 HydrophobicContact CD1-CB 4.15Å; F473-V566 HydrophobicContact CD1-CG1 4.3Å; F473-V566 HydrophobicContact CE1-CB 4.26Å; F473-V566 HydrophobicContact CE1-CG1 4.25Å; F473-V566 HydrophobicContact CE1-CG2 4.5Å; F473-V568 HydrophobicContact CD1-CG2 4.08Å; F473-I638 HydrophobicContact CE1-CD1 3.56Å; F473-I638 HydrophobicContact CZ-CD1 3.62Å
474	C	98.3	Very high	90.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112	160.7	-179	0	0	0	0	108.4	L515 F564 V566 F567 V568	C474-L515 WeakPolarHBondContact SG-CD1 3.4Å; C474-F564 HydrophobicContact CB-CB 4.12Å; C474-F564 HydrophobicContact CB-CD1 3.82Å; C474-F564 HydrophobicContact CB-CD2 3.57Å; C474-F564 HydrophobicContact CB-CE1 4.05Å; C474-F564 HydrophobicContact CB-CE2 3.8Å; C474-F564 HydrophobicContact CB-CG 3.56Å; C474-F564 HydrophobicContact CB-CZ 4.03Å; C474-V566 PolarHBondContact N-O 2.85Å; C474-F567 HydrophobicContact CB-CD1 3.52Å; C474-F567 HydrophobicContact CB-CE1 3.73Å; C474-F567 HydrophobicContact CB-CG 4.26Å; C474-F567 CarbonylContact O-C 3.52Å; C474-F567 WeakPolarHBondContact O-CA 3.48Å; C474-V568 PolarHBondContact O-N 2.75Å
475	I	97.9	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.3	177	-47.9	-57.1	0	0	0	107.9	F473 H505 F506 S513 L514 L515 V568 Y570	F473-I475 HydrophobicContact CB-CD1 3.94Å; F473-I475 HydrophobicContact CB-CG1 4.48Å; F473-I475 HydrophobicContact CD1-CD1 4.08Å; F473-I475 HydrophobicContact CG-CD1 4.48Å; I475-H505 HydrophobicContact CD1-CB 3.77Å; I475-H505 HydrophobicContact CG1-CB 4.03Å; I475-F506 HydrophobicContact CB-CE2 4.28Å; I475-F506 HydrophobicContact CG1-CE2 3.93Å; I475-F506 HydrophobicContact CG1-CZ 4.32Å; I475-S513 PolarHBondContact N-O 3.34Å; I475-L514 HydrophobicContact CB-CD1 4.04Å; I475-L514 HydrophobicContact CG2-CD1 4.02Å; I475-L514 CarbonylContact O-C 3.59Å; I475-L514 WeakPolarHBondContact O-CA 3.46Å; I475-L515 PolarHBondContact O-N 3.39Å; I475-V568 CarbonylContact C-O 3.56Å; I475-V568 WeakPolarHBondContact CA-O 3.31Å; I475-V568 HydrophobicContact CD1-CB 3.73Å; I475-V568 HydrophobicContact CD1-CG2 3.82Å; I475-Y570 HydrophobicContact CG2-CD2 4.14Å; I475-Y570 HydrophobicContact CG2-CE2 3.8Å
476	G	96.8	Very high	91.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.3	176.3	0	0	0	0	0	111.1	L515 V568 I569 Y570	G476-L515 CarbonylContact C-O 3.48Å; G476-L515 WeakPolarHBondContact CA-O 3.47Å; G476-V568 PolarHBondContact N-O 3.42Å; G476-I569 WeakPolarHBondContact O-CA 3.23Å; G476-Y570 PolarHBondContact O-N 2.62Å
477	I	95.6	Very high	91.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.6	170.1	-55.7	174.5	0	0	0	108.5	I479 L514 L515 F517	I477-I479 HydrophobicContact CB-CG2 4.49Å; I477-I479 HydrophobicContact CG2-CG2 3.87Å; I477-I479 PolarHBondContact O-N 3.31Å; I477-L514 HydrophobicContact CD1-CD1 3.69Å; I477-L514 HydrophobicContact CD1-CD2 4.29Å; I477-L514 HydrophobicContact CD1-CG 4.42Å; I477-L514 HydrophobicContact CG1-CD1 3.85Å; I477-L515 PolarHBondContact N-O 3.04Å; I477-F517 VanDerWaalsContact C-CE1 3.44Å; I477-F517 VanDerWaalsContact O-CD1 3.31Å; I477-F517 WeakPolarHBondContact O-CD1 3.36Å; I477-F517 PolarHBondContact O-N 3.48Å
478	D	94.3	Very high	90.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	117.3	166	-173.9	-13.4	0	0	0	109.6	S480 M483 F517 T548 Y570 T571	D478-S480 WeakPolarHBondContact OD1-CB 3.42Å; D478-S480 PolarHBondContact OD1-N 3.49Å; D478-S480 PolarHBondContact OD1-OG 3.34Å; D478-M483 HydrophobicContact CB-CE 4.26Å; D478-M483 HydrophobicContact CB-CG 3.93Å; D478-M483 HydrophobicContact CB-SD 4.49Å; D478-M483 WeakPolarHBondContact O-CG 3.34Å; D478-F517 HydrophobicContact CB-CE1 4.31Å; D478-F517 HydrophobicContact CB-CE2 4.03Å; D478-F517 HydrophobicContact CB-CZ 3.7Å; D478-T548 WeakPolarHBondContact OD2-CG2 3.34Å; D478-Y570 WeakPolarHBondContact CB-O 3.46Å; D478-Y570 PolarHBondContact N-O 3.41Å; D478-T571 WeakPolarHBondContact OD2-CB 3.49Å; D478-T571 PolarHBondContact OD2-OG1 3.27Å
479	I	91.4	Very high	89.5	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.123	C	C	.	.			trans	-116.6	24.7	178.3	56.7	156.5	0	0	0	110.7	I477 C516 F517 I539 F543 M545	I477-I479 HydrophobicContact CB-CG2 4.49Å; I477-I479 HydrophobicContact CG2-CG2 3.87Å; I477-I479 PolarHBondContact O-N 3.31Å; I479-C516 HydrophobicContact CD1-CB 4.06Å; I479-C516 HydrophobicContact CG1-CB 4.44Å; I479-C516 HydrophobicContact CG2-CB 4.4Å; I479-F517 WeakPolarHBondContact CG1-O 3.33Å; I479-F517 PolarHBondContact N-O 2.9Å; I479-I539 HydrophobicContact CB-CG2 4.46Å; I479-I539 HydrophobicContact CD1-CG2 4.36Å; I479-I539 HydrophobicContact CG2-CG2 3.77Å; I479-F543 HydrophobicContact CD1-CB 3.22Å; I479-F543 HydrophobicContact CD1-CD1 3.56Å; I479-F543 HydrophobicContact CD1-CG 3.54Å; I479-M545 WeakPolarHBondContact O-CA 3.2Å; I479-M545 VanDerWaalsContact O-CG 3.29Å; I479-M545 WeakPolarHBondContact O-CG 3.45Å
480	S	88.8	Confident	88.5	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-61.9	166.9	173.2	62.4	0	0	0	0	112.6	D478 S482 M483 S546 T548	D478-S480 WeakPolarHBondContact OD1-CB 3.42Å; D478-S480 PolarHBondContact OD1-N 3.49Å; D478-S480 PolarHBondContact OD1-OG 3.34Å; S480-S482 PolarHBondContact O-N 2.72Å; S480-S482 PolarHBondContact OG-OG 3.32Å; S480-M483 PolarHBondContact O-N 3.44Å; S480-M483 VanDerWaalsContact O-N 3.13Å; S480-S546 VanDerWaalsContact CA-O 3.24Å; S480-S546 WeakPolarHBondContact CA-O 3.4Å; S480-S546 WeakPolarHBondContact CB-O 3.48Å; S480-T548 WeakPolarHBondContact CB-OG1 3.15Å; S480-T548 PolarHBondContact OG-OG1 2.9Å
481	G	85.1	Confident	87.5	Confident	24 Å²	24	18.8 Å²	18.8	25%	0.247	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-57.7	-32.2	177.2	0	0	0	0	0	113.5	M483 A484 S546	G481-M483 VanDerWaalsContact C-N 3.28Å; G481-M483 PolarHBondContact O-N 2.89Å; G481-A484 WeakPolarHBondContact O-CB 3.41Å; G481-A484 PolarHBondContact O-N 3.26Å; G481-A484 VanDerWaalsContact O-N 3.14Å; G481-S546 PolarHBondContact N-O 2.89Å
482	S	86.5	Confident	86.8	Confident	5 Å²	5	15.6 Å²	15.6	4%	0.035	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-71.9	-24.5	-179.8	62.2	0	0	0	0	113.3	Y90 S480 A484 E485 D572	Y90-S482 VanDerWaalsContact CE2-CB 3.47Å; S480-S482 PolarHBondContact O-N 2.72Å; S480-S482 PolarHBondContact OG-OG 3.32Å; S482-A484 PolarHBondContact O-N 2.97Å; S482-E485 PolarHBondContact O-N 3.38Å; S482-D572 WeakPolarHBondContact CB-OD2 3.36Å; S482-D572 PolarHBondContact OG-OD2 3.29Å
483	M	89.7	Confident	86.4	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-77.4	-1.6	173.7	-65.6	-71.9	-75.7	0	0	113.2	D478 S480 G481 E485 S493 A494 A495 S498 D572 M605	D478-M483 HydrophobicContact CB-CE 4.26Å; D478-M483 HydrophobicContact CB-CG 3.93Å; D478-M483 HydrophobicContact CB-SD 4.49Å; D478-M483 WeakPolarHBondContact O-CG 3.34Å; S480-M483 PolarHBondContact O-N 3.44Å; S480-M483 VanDerWaalsContact O-N 3.13Å; G481-M483 VanDerWaalsContact C-N 3.28Å; G481-M483 PolarHBondContact O-N 2.89Å; M483-E485 VanDerWaalsContact C-N 3.26Å; M483-S493 WeakPolarHBondContact O-CB 3.1Å; M483-A494 HydrophobicContact CE-CB 3.98Å; M483-A494 PolarHBondContact O-N 2.87Å; M483-A494 HydrophobicContact SD-CB 3.89Å; M483-A495 HydrophobicContact CB-CB 3.81Å; M483-A495 WeakPolarHBondContact O-CB 3.36Å; M483-A495 PolarHBondContact O-N 2.84Å; M483-S498 WeakPolarHBondContact CE-OG 3.48Å; M483-D572 HydrophobicContact SD-CB 3.97Å; M483-D572 PolarHBondContact SD-N 2.66Å; M483-M605 HydrophobicContact CE-CB 4.3Å; M483-M605 HydrophobicContact CE-CG 4Å
484	A	86.8	Confident	86	Confident	28 Å²	28	11.9 Å²	11.9	23%	0.231	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-69.6	-22.6	170.9	0	0	0	0	0	113.5	Y431 G481 S482 S493	Y431-A484 WeakPolarHBondContact OH-CA 3.34Å; Y431-A484 WeakPolarHBondContact OH-CB 3.39Å; G481-A484 WeakPolarHBondContact O-CB 3.41Å; G481-A484 PolarHBondContact O-N 3.26Å; G481-A484 VanDerWaalsContact O-N 3.14Å; S482-A484 PolarHBondContact O-N 2.97Å; A484-S493 WeakPolarHBondContact O-CB 3.4Å
485	E	83.5	Confident	85.7	Confident	68 Å²	68	11.9 Å²	11.9	32%	0.318	8%	0.082	S	C	.	.	S	Bend	trans	-66.6	144.3	-174.3	-74.8	-60.1	145.7	0	0	112.7	Y89 S482 M483 I487 S493 A494	Y89-E485 VanDerWaalsContact CA-CG 3.5Å; Y89-E485 HydrophobicContact CD2-CG 4.07Å; Y89-E485 HydrophobicContact CG-CG 4.4Å; S482-E485 PolarHBondContact O-N 3.38Å; M483-E485 VanDerWaalsContact C-N 3.26Å; E485-I487 PolarHBondContact O-N 2.98Å; E485-S493 CarbonylContact O-C 3.32Å; E485-S493 VanDerWaalsContact O-CA 3.3Å; E485-S493 WeakPolarHBondContact O-CA 3.47Å; E485-A494 PolarHBondContact O-N 3.03Å
486	P	82.9	Confident	85.4	Confident	35 Å²	35	12.1 Å²	12.1	23%	0.227	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-67.4	132.4	-179.7	-15.7	28.7	0	0	0	112.7	S488 S490 L492	P486-S488 PolarHBondContact O-N 2.69Å; P486-S490 WeakPolarHBondContact CB-O 3.47Å; P486-L492 CarbonylContact C-O 3.57Å; P486-L492 VanDerWaalsContact CA-O 3.29Å; P486-L492 WeakPolarHBondContact CA-O 3.22Å
487	I	80	Confident	85.2	Confident	10 Å²	10	12.1 Å²	12.1	5%	0.051	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-74.3	128.3	176.8	-166.2	173.8	0	0	0	111.1	L82 M384 E485 G489 S490 L492 A497 M605 F626	L82-I487 HydrophobicContact CD2-CD1 4.46Å; M384-I487 HydrophobicContact CE-CD1 4.32Å; M384-I487 HydrophobicContact SD-CD1 3.95Å; M384-I487 HydrophobicContact SD-CG1 4.33Å; M384-I487 HydrophobicContact SD-CG2 4.24Å; E485-I487 PolarHBondContact O-N 2.98Å; I487-G489 PolarHBondContact O-N 2.93Å; I487-G489 VanDerWaalsContact O-N 3.09Å; I487-S490 WeakPolarHBondContact CG2-OG 3.24Å; I487-S490 WeakPolarHBondContact O-CB 3.47Å; I487-S490 PolarHBondContact O-N 3.3Å; I487-S490 PolarHBondContact O-OG 2.99Å; I487-L492 HydrophobicContact CG2-CB 4.49Å; I487-L492 PolarHBondContact N-O 3.28Å; I487-A497 HydrophobicContact CG2-CB 4.06Å; I487-M605 HydrophobicContact CD1-CE 3.94Å; I487-F626 HydrophobicContact CD1-CD2 3.6Å; I487-F626 HydrophobicContact CD1-CE2 3.38Å
488	S	72	Confident	85.2	Confident	13 Å²	13	12.1 Å²	12.1	9%	0.091	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	50.4	36.2	175.4	-53.3	0	0	0	0	113.9	L82 E85 K131 P486 S490	L82-S488 PolarHBondContact O-OG 3.48Å; E85-S488 CarbonylContact O-C 3.49Å; E85-S488 WeakPolarHBondContact O-CA 3.29Å; K131-S488 PolarHBondContact NZ-O 3.46Å; P486-S488 PolarHBondContact O-N 2.69Å; S488-S490 PolarHBondContact O-N 2.57Å
489	G	68	Low	85.2	Confident	10 Å²	10	12.1 Å²	12.1	10%	0.103	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	68.3	15.4	-177.4	0	0	0	0	0	114.8	E85 Y439 I487	E85-G489 PolarHBondContact O-N 2.99Å; Y439-G489 VanDerWaalsContact CE2-O 3.29Å; Y439-G489 WeakPolarHBondContact CE2-O 3.17Å; Y439-G489 PolarHBondContact OH-O 3.39Å; I487-G489 PolarHBondContact O-N 2.93Å; I487-G489 VanDerWaalsContact O-N 3.09Å
490	S	73.7	Confident	85.3	Confident	14 Å²	14	12.1 Å²	12.1	10%	0.098	8%	0.084	C	C	.	.	S	Bend	trans	-77	-172.4	178.8	80.2	0	0	0	0	112.2	P486 I487 S488 L492	P486-S490 WeakPolarHBondContact CB-O 3.47Å; I487-S490 WeakPolarHBondContact CG2-OG 3.24Å; I487-S490 WeakPolarHBondContact O-CB 3.47Å; I487-S490 PolarHBondContact O-N 3.3Å; I487-S490 PolarHBondContact O-OG 2.99Å; S488-S490 PolarHBondContact O-N 2.57Å; S490-L492 PolarHBondContact OG-N 3.3Å; S490-L492 VanDerWaalsContact OG-N 3.17Å; S490-L492 PolarHBondContact OG-O 3.09Å
491	A	72.3	Confident	85.5	Confident	25 Å²	25	12.3 Å²	12.3	21%	0.207	8%	0.084	C	C	.	.	S	Bend	trans	-92.7	-7.5	172.2	0	0	0	0	0	112.9	I434 L435	I434-A491 HydrophobicContact CG2-CB 4.1Å; I434-A491 WeakPolarHBondContact CG2-O 3.2Å; L435-A491 HydrophobicContact CD2-CB 4.06Å; L435-A491 VanDerWaalsContact CD2-O 3.28Å; L435-A491 WeakPolarHBondContact CD2-O 3.18Å
492	L	83.8	Confident	85.9	Confident	4 Å²	4	11.1 Å²	11.1	2%	0.021	7%	0.073	C	C	.	.	S	Bend	trans	-92.7	131.3	179.8	-68.5	169	0	0	0	109.1	L387 A391 L435 P486 I487 S490 H496	L387-L492 HydrophobicContact CD2-CD1 3.84Å; L387-L492 HydrophobicContact CG-CD1 3.66Å; A391-L492 HydrophobicContact CB-CD1 3.8Å; A391-L492 HydrophobicContact CB-CD2 3.67Å; A391-L492 HydrophobicContact CB-CG 3.86Å; L435-L492 HydrophobicContact CD2-CD2 3.98Å; P486-L492 CarbonylContact C-O 3.57Å; P486-L492 VanDerWaalsContact CA-O 3.29Å; P486-L492 WeakPolarHBondContact CA-O 3.22Å; I487-L492 HydrophobicContact CG2-CB 4.49Å; I487-L492 PolarHBondContact N-O 3.28Å; S490-L492 PolarHBondContact OG-N 3.3Å; S490-L492 VanDerWaalsContact OG-N 3.17Å; S490-L492 PolarHBondContact OG-O 3.09Å; L492-H496 HydrophobicContact CD2-CB 4.43Å; L492-H496 WeakPolarHBondContact CD2-ND1 3.41Å
493	S	88.6	Confident	86.3	Confident	9 Å²	9	11.5 Å²	11.5	6%	0.063	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-66.1	158.1	168.7	66.6	0	0	0	0	110.9	M483 A484 E485 A495 H496 A497	M483-S493 WeakPolarHBondContact O-CB 3.1Å; A484-S493 WeakPolarHBondContact O-CB 3.4Å; E485-S493 CarbonylContact O-C 3.32Å; E485-S493 VanDerWaalsContact O-CA 3.3Å; E485-S493 WeakPolarHBondContact O-CA 3.47Å; S493-A495 VanDerWaalsContact C-N 3.27Å; S493-A495 PolarHBondContact O-N 2.7Å; S493-H496 PolarHBondContact O-N 2.68Å; S493-H496 VanDerWaalsContact OG-CB 3.32Å; S493-H496 WeakPolarHBondContact OG-CB 3.5Å; S493-H496 PolarHBondContact OG-N 3.24Å; S493-H496 VanDerWaalsContact OG-N 3.1Å; S493-A497 VanDerWaalsContact O-CB 3.27Å; S493-A497 WeakPolarHBondContact O-CB 3.42Å; S493-A497 PolarHBondContact O-N 2.81Å
494	A	90.3	Very high	86.3	Confident	4 Å²	4	12.3 Å²	12.3	3%	0.033	8%	0.078	C	C	.	.	H	α-helix	trans	-56.1	-42.5	173.5	0	0	0	0	0	111.3	M483 E485 A497 S498 M605	M483-A494 HydrophobicContact CE-CB 3.98Å; M483-A494 PolarHBondContact O-N 2.87Å; M483-A494 HydrophobicContact SD-CB 3.89Å; E485-A494 PolarHBondContact O-N 3.03Å; A494-A497 WeakPolarHBondContact O-CB 3.23Å; A494-A497 PolarHBondContact O-N 2.95Å; A494-S498 WeakPolarHBondContact O-CB 3.21Å; A494-S498 PolarHBondContact O-N 3.32Å; A494-S498 PolarHBondContact O-OG 2.62Å; A494-M605 HydrophobicContact CB-CB 4.27Å
495	A	92.3	Very high	86.6	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-42.3	176.9	0	0	0	0	0	113.6	M483 S493 A497 S498 T499 W536	M483-A495 HydrophobicContact CB-CB 3.81Å; M483-A495 WeakPolarHBondContact O-CB 3.36Å; M483-A495 PolarHBondContact O-N 2.84Å; S493-A495 VanDerWaalsContact C-N 3.27Å; S493-A495 PolarHBondContact O-N 2.7Å; A495-A497 VanDerWaalsContact C-N 3.35Å; A495-S498 PolarHBondContact O-N 3.06Å; A495-T499 PolarHBondContact O-N 2.94Å; A495-T499 PolarHBondContact O-OG1 3.4Å; A495-W536 HydrophobicContact CB-CH2 3.3Å; A495-W536 HydrophobicContact CB-CZ2 4.35Å; A495-W536 HydrophobicContact CB-CZ3 3.56Å
496	H	91.6	Very high	87	Confident	5 Å²	5	11.1 Å²	11.1	2%	0.023	7%	0.067	C	C	.	.	H	α-helix	trans	-65.4	-42.8	177.2	-169.3	-179.5	0	0	0	110.6	L492 S493 T499 A500 Y532 D533 W536	L492-H496 HydrophobicContact CD2-CB 4.43Å; L492-H496 WeakPolarHBondContact CD2-ND1 3.41Å; S493-H496 PolarHBondContact O-N 2.68Å; S493-H496 VanDerWaalsContact OG-CB 3.32Å; S493-H496 WeakPolarHBondContact OG-CB 3.5Å; S493-H496 PolarHBondContact OG-N 3.24Å; S493-H496 VanDerWaalsContact OG-N 3.1Å; H496-T499 WeakPolarHBondContact O-CB 3.45Å; H496-T499 PolarHBondContact O-N 3.07Å; H496-A500 PolarHBondContact O-N 3.03Å; H496-A500 VanDerWaalsContact O-N 3.07Å; H496-Y532 AromaticContact CD2-CD2 3.88Å; H496-Y532 AromaticContact CD2-CE2 3.81Å; H496-Y532 AromaticContact NE2-CD2 3.75Å; H496-Y532 AromaticContact NE2-CE2 3.4Å; H496-Y532 WeakPolarHBondContact NE2-CE2 3.49Å; H496-D533 IonicContact CE1-OD1 3.16Å; H496-D533 PolarHBondContact CE1-OD1 3.27Å; H496-D533 IonicContact NE2-OD1 3.81Å; H496-D533 PolarHBondContact NE2-OD1 3.19Å; H496-W536 HydrophobicContact CB-CD2 3.79Å; H496-W536 HydrophobicContact CB-CE3 4.31Å; H496-W536 HydrophobicContact CB-CG 4.19Å; H496-W536 HydrophobicContact CB-CH2 4.46Å; H496-W536 HydrophobicContact CB-CZ2 3.93Å; H496-W536 AromaticContact CD2-CD1 3.46Å; H496-W536 VanDerWaalsContact CD2-CD1 3.46Å; H496-W536 AromaticContact CD2-CD2 3.81Å; H496-W536 AromaticContact CD2-CG 3.3Å; H496-W536 AromaticContact CD2-NE1 3.97Å; H496-W536 AromaticContact CE1-CD1 3.57Å; H496-W536 AromaticContact CG-CD1 3.52Å; H496-W536 AromaticContact CG-CD2 3.83Å; H496-W536 AromaticContact CG-CE2 3.79Å; H496-W536 AromaticContact CG-CG 3.67Å; H496-W536 AromaticContact CG-NE1 3.55Å; H496-W536 AromaticContact ND1-CD1 3.61Å; H496-W536 AromaticContact ND1-NE1 3.62Å; H496-W536 AromaticContact NE2-CD1 3.49Å; H496-W536 AromaticContact NE2-CG 3.65Å
497	A	92.6	Very high	87.3	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-61.5	-42.3	173.3	0	0	0	0	0	112.6	L387 I487 S493 A494 A495 T499 A500 M501 M605 F626	L387-A497 HydrophobicContact CD2-CB 4.49Å; I487-A497 HydrophobicContact CG2-CB 4.06Å; S493-A497 VanDerWaalsContact O-CB 3.27Å; S493-A497 WeakPolarHBondContact O-CB 3.42Å; S493-A497 PolarHBondContact O-N 2.81Å; A494-A497 WeakPolarHBondContact O-CB 3.23Å; A494-A497 PolarHBondContact O-N 2.95Å; A495-A497 VanDerWaalsContact C-N 3.35Å; A497-T499 VanDerWaalsContact C-N 3.33Å; A497-T499 PolarHBondContact O-N 3.23Å; A497-A500 WeakPolarHBondContact O-CB 3.04Å; A497-A500 PolarHBondContact O-N 2.88Å; A497-M501 WeakPolarHBondContact O-CG 3.13Å; A497-M501 PolarHBondContact O-N 2.78Å; A497-M605 HydrophobicContact CB-CE 4.18Å; A497-F626 HydrophobicContact CB-CE2 3.8Å; A497-F626 HydrophobicContact CB-CZ 3.68Å
498	S	94.6	Very high	87.7	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-37.5	174.4	-66.4	0	0	0	0	112.3	M483 A494 A495 A500 M501 S502 M605	M483-S498 WeakPolarHBondContact CE-OG 3.48Å; A494-S498 WeakPolarHBondContact O-CB 3.21Å; A494-S498 PolarHBondContact O-N 3.32Å; A494-S498 PolarHBondContact O-OG 2.62Å; A495-S498 PolarHBondContact O-N 3.06Å; S498-A500 VanDerWaalsContact C-N 3.35Å; S498-M501 PolarHBondContact O-N 3.41Å; S498-S502 WeakPolarHBondContact O-CB 3.35Å; S498-S502 PolarHBondContact O-N 2.95Å; S498-S502 PolarHBondContact O-OG 2.66Å; S498-M605 WeakPolarHBondContact OG-CE 3.45Å; S498-M605 WeakPolarHBondContact OG-CG 3.34Å
499	T	94.5	Very high	88.7	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-40.8	174.1	-59.4	0	0	0	0	111.4	A495 H496 A497 S502 L535 W536 I539	A495-T499 PolarHBondContact O-N 2.94Å; A495-T499 PolarHBondContact O-OG1 3.4Å; H496-T499 WeakPolarHBondContact O-CB 3.45Å; H496-T499 PolarHBondContact O-N 3.07Å; A497-T499 VanDerWaalsContact C-N 3.33Å; A497-T499 PolarHBondContact O-N 3.23Å; T499-S502 PolarHBondContact O-OG 2.85Å; T499-L535 HydrophobicContact CG2-CB 4.19Å; T499-L535 HydrophobicContact CG2-CD2 3.59Å; T499-L535 HydrophobicContact CG2-CG 3.66Å; T499-W536 HydrophobicContact CG2-CB 4.37Å; T499-I539 HydrophobicContact CG2-CD1 3.97Å
500	A	93.9	Very high	89.8	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-45.5	173.3	0	0	0	0	0	112.2	L387 F459 Y460 H496 A497 S498 Y532	L387-A500 HydrophobicContact CD1-CB 3.63Å; L387-A500 HydrophobicContact CD2-CB 3.83Å; L387-A500 HydrophobicContact CG-CB 4.41Å; F459-A500 HydrophobicContact CE1-CB 3.96Å; F459-A500 HydrophobicContact CZ-CB 4.22Å; Y460-A500 VanDerWaalsContact CE1-O 3.31Å; Y460-A500 WeakPolarHBondContact CE1-O 3.48Å; H496-A500 PolarHBondContact O-N 3.03Å; H496-A500 VanDerWaalsContact O-N 3.07Å; A497-A500 WeakPolarHBondContact O-CB 3.04Å; A497-A500 PolarHBondContact O-N 2.88Å; S498-A500 VanDerWaalsContact C-N 3.35Å; A500-Y532 HydrophobicContact CB-CD1 4.11Å; A500-Y532 HydrophobicContact CB-CD2 3.57Å; A500-Y532 HydrophobicContact CB-CE1 4.48Å; A500-Y532 HydrophobicContact CB-CE2 3.97Å; A500-Y532 HydrophobicContact CB-CG 3.64Å
501	M	93.4	Very high	90.8	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-66.6	-39	-179.2	-76.1	-166.7	66.7	0	0	113.3	F459 F463 A497 S498 L503 I504 Y570 V603 M605 F626	F459-M501 HydrophobicContact CZ-CG 4.3Å; F463-M501 HydrophobicContact CE1-CE 4.35Å; F463-M501 HydrophobicContact CZ-CE 4.37Å; A497-M501 WeakPolarHBondContact O-CG 3.13Å; A497-M501 PolarHBondContact O-N 2.78Å; S498-M501 PolarHBondContact O-N 3.41Å; M501-L503 PolarHBondContact O-N 3.17Å; M501-I504 WeakPolarHBondContact O-CB 3.16Å; M501-I504 VanDerWaalsContact O-CD1 3.23Å; M501-I504 WeakPolarHBondContact O-CD1 3.37Å; M501-I504 WeakPolarHBondContact O-CG1 3.22Å; M501-I504 PolarHBondContact O-N 3.03Å; M501-Y570 HydrophobicContact CB-CD1 4.32Å; M501-Y570 HydrophobicContact CB-CE1 3.51Å; M501-Y570 HydrophobicContact CE-CE1 3.99Å; M501-Y570 HydrophobicContact CG-CE1 4.46Å; M501-Y570 PolarHBondContact O-OH 2.93Å; M501-Y570 HydrophobicContact SD-CE1 4.19Å; M501-V603 HydrophobicContact CE-CG1 4.37Å; M501-M605 HydrophobicContact SD-CE 4.04Å; M501-M605 HydrophobicContact SD-SD 4.26Å; M501-F626 HydrophobicContact CG-CD1 4.37Å; M501-F626 HydrophobicContact CG-CE1 3.99Å; M501-F626 HydrophobicContact CG-CE2 4.22Å; M501-F626 HydrophobicContact CG-CZ 3.89Å; M501-F626 HydrophobicContact SD-CD1 4.09Å; M501-F626 HydrophobicContact SD-CD2 3.6Å; M501-F626 HydrophobicContact SD-CE1 4.15Å; M501-F626 HydrophobicContact SD-CE2 3.64Å; M501-F626 HydrophobicContact SD-CG 3.83Å; M501-F626 HydrophobicContact SD-CZ 3.92Å; M501-F626 PolarHBondContact SD-N 3.33Å
502	S	94	Very high	92	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-31.6	-176.8	71.5	0	0	0	0	112.2	S498 T499 I504 H505 F506	S498-S502 WeakPolarHBondContact O-CB 3.35Å; S498-S502 PolarHBondContact O-N 2.95Å; S498-S502 PolarHBondContact O-OG 2.66Å; T499-S502 PolarHBondContact O-OG 2.85Å; S502-I504 PolarHBondContact O-N 3.44Å; S502-I504 VanDerWaalsContact O-N 3.15Å; S502-H505 PolarHBondContact O-CD2 3.07Å; S502-H505 PolarHBondContact O-N 3.4Å; S502-H505 VanDerWaalsContact O-N 3.14Å; S502-F506 WeakPolarHBondContact O-CD2 3.22Å
503	L	93.3	Very high	92.6	Very high	13 Å²	13	26.5 Å²	26.5	7%	0.068	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-11.5	179.2	-65.8	-165.5	0	0	0	114.2	Y460 M501 H505 F506 R507 V526 L535	Y460-L503 HydrophobicContact CE1-CB 3.73Å; M501-L503 PolarHBondContact O-N 3.17Å; L503-H505 VanDerWaalsContact C-N 3.27Å; L503-H505 PolarHBondContact O-N 3.06Å; L503-F506 HydrophobicContact CD2-CD2 4.1Å; L503-F506 PolarHBondContact O-N 2.86Å; L503-R507 WeakPolarHBondContact O-CG 3.34Å; L503-R507 PolarHBondContact O-N 2.8Å; L503-V526 HydrophobicContact CD2-CG1 3.51Å; L503-V526 HydrophobicContact CD2-CG2 4.29Å; L503-L535 HydrophobicContact CD1-CD2 4.5Å; L503-L535 HydrophobicContact CD2-CD2 3.91Å; L503-L535 HydrophobicContact CG-CD2 4.41Å
504	I	90.6	Very high	93	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.087	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-42.9	170	-62	161.3	0	0	0	109.9	Y460 F463 M501 S502 F506 R507 T508 P631	Y460-I504 HydrophobicContact CD1-CG1 3.81Å; Y460-I504 HydrophobicContact CE1-CG1 4.3Å; F463-I504 HydrophobicContact CD1-CD1 3.99Å; F463-I504 HydrophobicContact CD2-CD1 3.51Å; F463-I504 HydrophobicContact CD2-CG1 4.05Å; F463-I504 HydrophobicContact CE1-CD1 3.76Å; F463-I504 HydrophobicContact CE2-CD1 3.24Å; F463-I504 HydrophobicContact CE2-CG1 4.04Å; F463-I504 HydrophobicContact CG-CD1 3.87Å; F463-I504 HydrophobicContact CZ-CD1 3.37Å; M501-I504 WeakPolarHBondContact O-CB 3.16Å; M501-I504 VanDerWaalsContact O-CD1 3.23Å; M501-I504 WeakPolarHBondContact O-CD1 3.37Å; M501-I504 WeakPolarHBondContact O-CG1 3.22Å; M501-I504 PolarHBondContact O-N 3.03Å; S502-I504 PolarHBondContact O-N 3.44Å; S502-I504 VanDerWaalsContact O-N 3.15Å; I504-F506 VanDerWaalsContact C-N 3.35Å; I504-F506 PolarHBondContact O-N 2.78Å; I504-R507 PolarHBondContact O-N 2.87Å; I504-R507 VanDerWaalsContact O-N 3.15Å; I504-T508 PolarHBondContact O-N 3.41Å; I504-T508 PolarHBondContact O-OG1 3.14Å; I504-P631 HydrophobicContact CG2-CG 4.35Å
505	H	92.9	Very high	93.3	Very high	16 Å²	16	25.9 Å²	25.9	7%	0.074	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-41.1	-178.5	-62.1	-68.4	0	0	0	112.1	I475 S502 L503 R507 T508 E509 Y570	I475-H505 HydrophobicContact CD1-CB 3.77Å; I475-H505 HydrophobicContact CG1-CB 4.03Å; S502-H505 PolarHBondContact O-CD2 3.07Å; S502-H505 PolarHBondContact O-N 3.4Å; S502-H505 VanDerWaalsContact O-N 3.14Å; L503-H505 VanDerWaalsContact C-N 3.27Å; L503-H505 PolarHBondContact O-N 3.06Å; H505-R507 PolarHBondContact O-N 2.84Å; H505-T508 PolarHBondContact O-N 3.07Å; H505-E509 PolarHBondContact O-N 3.09Å; H505-Y570 PolarHBondContact CD2-OH 2.82Å; H505-Y570 AromaticContact NE2-CZ 3.97Å; H505-Y570 PolarHBondContact NE2-OH 2.98Å
506	F	92.6	Very high	93.4	Very high	54 Å²	54	25.9 Å²	25.9	24%	0.237	13%	0.134	C	C	.	.	H	α-helix	trans	-68.9	-16	179.1	-67.6	-93.8	0	0	0	113.8	I475 S502 L503 I504 C512 L514 V526	I475-F506 HydrophobicContact CB-CE2 4.28Å; I475-F506 HydrophobicContact CG1-CE2 3.93Å; I475-F506 HydrophobicContact CG1-CZ 4.32Å; S502-F506 WeakPolarHBondContact O-CD2 3.22Å; L503-F506 HydrophobicContact CD2-CD2 4.1Å; L503-F506 PolarHBondContact O-N 2.86Å; I504-F506 VanDerWaalsContact C-N 3.35Å; I504-F506 PolarHBondContact O-N 2.78Å; F506-C512 HydrophobicContact CD1-CB 3.62Å; F506-C512 HydrophobicContact CD2-CB 4.39Å; F506-C512 HydrophobicContact CE1-CB 3.37Å; F506-C512 WeakPolarHBondContact CE1-O 3.44Å; F506-C512 HydrophobicContact CE2-CB 4.18Å; F506-C512 HydrophobicContact CG-CB 4.11Å; F506-C512 HydrophobicContact CZ-CB 3.65Å; F506-L514 HydrophobicContact CE1-CB 4.47Å; F506-L514 HydrophobicContact CE2-CB 4.2Å; F506-L514 HydrophobicContact CE2-CD1 4.25Å; F506-L514 HydrophobicContact CZ-CB 3.62Å; F506-L514 HydrophobicContact CZ-CD1 4.47Å; F506-V526 HydrophobicContact CD1-CB 4.02Å; F506-V526 HydrophobicContact CD1-CG1 4.14Å; F506-V526 HydrophobicContact CD1-CG2 3.98Å; F506-V526 HydrophobicContact CD2-CG2 4.43Å; F506-V526 HydrophobicContact CE1-CB 4.08Å; F506-V526 HydrophobicContact CE1-CG2 3.63Å; F506-V526 HydrophobicContact CE2-CG2 4.13Å; F506-V526 HydrophobicContact CG-CG1 4.21Å; F506-V526 HydrophobicContact CG-CG2 4.39Å; F506-V526 HydrophobicContact CZ-CG2 3.75Å
507	R	88.1	Confident	93.4	Very high	125 Å²	125	25.7 Å²	25.7	47%	0.472	13%	0.133	S	C	.	.	H	α-helix	trans	-88.8	-24.2	175.5	-69.1	171.1	178.6	-135.3	-2.5	112.8	L503 I504 H505	L503-R507 WeakPolarHBondContact O-CG 3.34Å; L503-R507 PolarHBondContact O-N 2.8Å; I504-R507 PolarHBondContact O-N 2.87Å; I504-R507 VanDerWaalsContact O-N 3.15Å; H505-R507 PolarHBondContact O-N 2.84Å
508	T	88.8	Confident	93.1	Very high	41 Å²	41	25.7 Å²	25.7	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-100.5	-45.1	-176.7	-60.3	0	0	0	0	111.5	V466 P468 I504 H505	V466-T508 HydrophobicContact CG2-CG2 4Å; P468-T508 HydrophobicContact CB-CG2 4.31Å; P468-T508 WeakPolarHBondContact CB-O 3.33Å; P468-T508 HydrophobicContact CG-CG2 4.23Å; P468-T508 VanDerWaalsContact CG-O 3.22Å; P468-T508 WeakPolarHBondContact CG-O 3.35Å; I504-T508 PolarHBondContact O-N 3.41Å; I504-T508 PolarHBondContact O-OG1 3.14Å; H505-T508 PolarHBondContact O-N 3.07Å
509	E	93.8	Very high	92.3	Very high	13 Å²	13	28.2 Å²	28.2	6%	0.061	15%	0.146	C	C	.	.			trans	-107.1	132	-168	-61.1	-71.9	-179.5	0	0	111.4	T469 G470 F473 H505 H511 C512	T469-E509 WeakPolarHBondContact CB-OE1 3.38Å; T469-E509 WeakPolarHBondContact CG2-OE1 3.49Å; T469-E509 PolarHBondContact N-OE1 3.47Å; T469-E509 PolarHBondContact N-OE2 3.23Å; T469-E509 VanDerWaalsContact OG1-CD 3.25Å; T469-E509 PolarHBondContact OG1-OE1 3.33Å; T469-E509 PolarHBondContact OG1-OE2 3.15Å; G470-E509 PolarHBondContact N-OE2 3.41Å; F473-E509 HydrophobicContact CD2-CB 3.99Å; F473-E509 HydrophobicContact CD2-CG 3.83Å; F473-E509 HydrophobicContact CE1-CG 4.41Å; F473-E509 HydrophobicContact CE2-CB 4.02Å; F473-E509 HydrophobicContact CE2-CG 3.39Å; F473-E509 HydrophobicContact CZ-CG 3.71Å; F473-E509 WeakPolarHBondContact CZ-OE1 3.36Å; H505-E509 PolarHBondContact O-N 3.09Å; E509-H511 VanDerWaalsContact C-N 3.29Å; E509-H511 PolarHBondContact O-N 2.85Å; E509-C512 VanDerWaalsContact CB-SG 3.54Å
510	S	91.1	Very high	91.7	Very high	97 Å²	97	31.1 Å²	31.1	68%	0.678	16%	0.161	S	C	*	.	S	Bend	trans	-72.6	-20	-177.8	55.9	0	0	0	0	114
511	H	94.8	Very high	91.5	Very high	111 Å²	111	32.3 Å²	32.3	51%	0.514	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	77.6	-175.7	-63.3	-65.8	0	0	0	111.3	R472 F473 E509	R472-H511 HydrophobicContact CG-CB 4.16Å; F473-H511 PolarHBondContact N-O 3.18Å; E509-H511 VanDerWaalsContact C-N 3.29Å; E509-H511 PolarHBondContact O-N 2.85Å
512	C	96.1	Very high	91.4	Very high	27 Å²	27	36.7 Å²	36.7	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137	175.1	-66.2	0	0	0	0	111.7	F473 F506 E509	F473-C512 HydrophobicContact CB-CB 4.45Å; F473-C512 WeakPolarHBondContact O-CA 3.45Å; F506-C512 HydrophobicContact CD1-CB 3.62Å; F506-C512 HydrophobicContact CD2-CB 4.39Å; F506-C512 HydrophobicContact CE1-CB 3.37Å; F506-C512 WeakPolarHBondContact CE1-O 3.44Å; F506-C512 HydrophobicContact CE2-CB 4.18Å; F506-C512 HydrophobicContact CG-CB 4.11Å; F506-C512 HydrophobicContact CZ-CB 3.65Å; E509-C512 VanDerWaalsContact CB-SG 3.54Å
513	S	97.3	Very high	91.5	Very high	20 Å²	20	39.8 Å²	39.8	14%	0.14	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.8	164.3	-76.4	0	0	0	0	109.7	F473 I475 E523	F473-S513 PolarHBondContact O-N 3.48Å; I475-S513 PolarHBondContact N-O 3.34Å; S513-E523 WeakPolarHBondContact CB-OE1 3.39Å; S513-E523 PolarHBondContact OG-OE1 2.94Å
514	L	97.3	Very high	91.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122	175.3	-174.2	64.3	0	0	0	109.3	I475 I477 F506 E523 V524 V526 L535	I475-L514 HydrophobicContact CB-CD1 4.04Å; I475-L514 HydrophobicContact CG2-CD1 4.02Å; I475-L514 CarbonylContact O-C 3.59Å; I475-L514 WeakPolarHBondContact O-CA 3.46Å; I477-L514 HydrophobicContact CD1-CD1 3.69Å; I477-L514 HydrophobicContact CD1-CD2 4.29Å; I477-L514 HydrophobicContact CD1-CG 4.42Å; I477-L514 HydrophobicContact CG1-CD1 3.85Å; F506-L514 HydrophobicContact CE1-CB 4.47Å; F506-L514 HydrophobicContact CE2-CB 4.2Å; F506-L514 HydrophobicContact CE2-CD1 4.25Å; F506-L514 HydrophobicContact CZ-CB 3.62Å; F506-L514 HydrophobicContact CZ-CD1 4.47Å; L514-E523 CarbonylContact O-C 3.57Å; L514-E523 WeakPolarHBondContact O-CA 3.41Å; L514-V524 HydrophobicContact CD2-CB 4.31Å; L514-V524 PolarHBondContact O-N 3.38Å; L514-V526 HydrophobicContact CB-CG2 3.74Å; L514-V526 HydrophobicContact CD2-CG2 3.6Å; L514-V526 HydrophobicContact CG-CG2 4.3Å; L514-L535 HydrophobicContact CD2-CD1 4.22Å; L514-L535 HydrophobicContact CD2-CD2 3.75Å
515	L	96.4	Very high	91.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.1	170.1	-56.1	-175.4	0	0	0	108.9	C474 I475 G476 I477 I521 D522 E523 P553 W556	C474-L515 WeakPolarHBondContact SG-CD1 3.4Å; I475-L515 PolarHBondContact O-N 3.39Å; G476-L515 CarbonylContact C-O 3.48Å; G476-L515 WeakPolarHBondContact CA-O 3.47Å; I477-L515 PolarHBondContact N-O 3.04Å; L515-I521 HydrophobicContact CB-CD1 4.06Å; L515-I521 HydrophobicContact CB-CG1 4.16Å; L515-I521 HydrophobicContact CD1-CD1 3.79Å; L515-I521 HydrophobicContact CD1-CG1 4.44Å; L515-I521 HydrophobicContact CG-CD1 4.46Å; L515-D522 WeakPolarHBondContact CA-O 3.3Å; L515-E523 HydrophobicContact CD2-CB 3.6Å; L515-E523 HydrophobicContact CD2-CG 3.98Å; L515-P553 HydrophobicContact CD1-CB 4.14Å; L515-W556 HydrophobicContact CD1-CD2 4.05Å; L515-W556 HydrophobicContact CD1-CE3 3.57Å; L515-W556 HydrophobicContact CD1-CG 4.48Å; L515-W556 HydrophobicContact CD1-CZ3 4.09Å; L515-W556 HydrophobicContact CD2-CD2 4.21Å; L515-W556 HydrophobicContact CD2-CE3 3.95Å; L515-W556 HydrophobicContact CD2-CH2 3.98Å; L515-W556 HydrophobicContact CD2-CZ2 4.23Å; L515-W556 HydrophobicContact CD2-CZ3 3.83Å; L515-W556 HydrophobicContact CG-CE3 4.43Å
516	C	94.2	Very high	91.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.4	167.7	-60.8	0	0	0	0	107.6	I479 I521 D522 V524 F543	I479-C516 HydrophobicContact CD1-CB 4.06Å; I479-C516 HydrophobicContact CG1-CB 4.44Å; I479-C516 HydrophobicContact CG2-CB 4.4Å; C516-I521 WeakPolarHBondContact O-CA 3.35Å; C516-D522 PolarHBondContact N-O 3.29Å; C516-D522 PolarHBondContact O-N 3.39Å; C516-D522 VanDerWaalsContact O-N 3.17Å; C516-V524 HydrophobicContact CB-CG2 4.46Å; C516-F543 HydrophobicContact CB-CD1 4.06Å; C516-F543 HydrophobicContact CB-CE1 3.67Å; C516-F543 HydrophobicContact CB-CE2 4.33Å; C516-F543 HydrophobicContact CB-CZ 3.82Å
517	F	92	Very high	91.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.1	-174.8	71.7	-87.7	0	0	0	114.3	I477 D478 I479 N520 I521 D549 C550 L552 P553 I569	I477-F517 VanDerWaalsContact C-CE1 3.44Å; I477-F517 VanDerWaalsContact O-CD1 3.31Å; I477-F517 WeakPolarHBondContact O-CD1 3.36Å; I477-F517 PolarHBondContact O-N 3.48Å; D478-F517 HydrophobicContact CB-CE1 4.31Å; D478-F517 HydrophobicContact CB-CE2 4.03Å; D478-F517 HydrophobicContact CB-CZ 3.7Å; I479-F517 WeakPolarHBondContact CG1-O 3.33Å; I479-F517 PolarHBondContact N-O 2.9Å; F517-N520 CarbonylContact C-O 3.53Å; F517-N520 WeakPolarHBondContact CA-O 3.25Å; F517-I521 HydrophobicContact CB-CB 4Å; F517-I521 HydrophobicContact CB-CD1 3.97Å; F517-I521 HydrophobicContact CB-CG1 3.94Å; F517-D549 WeakPolarHBondContact CD2-O 3.31Å; F517-C550 HydrophobicContact CE2-CB 4.44Å; F517-L552 HydrophobicContact CB-CB 4.44Å; F517-L552 HydrophobicContact CB-CD1 4.26Å; F517-P553 HydrophobicContact CD1-CG 3.68Å; F517-P553 HydrophobicContact CE1-CG 3.82Å; F517-P553 HydrophobicContact CG-CG 4.2Å; F517-P553 HydrophobicContact CZ-CG 4.44Å; F517-I569 HydrophobicContact CE1-CG2 4.09Å; F517-I569 HydrophobicContact CZ-CG2 3.77Å
518	S	85.4	Confident	91.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	26%	0.262	C	S	.	.	S	Bend	trans	-140.2	-115.3	167.9	60	0	0	0	0	107.4	N520 E544 S546 A547 L552	S518-N520 VanDerWaalsContact C-N 3.3Å; S518-N520 PolarHBondContact N-O 3.38Å; S518-E544 PolarHBondContact OG-O 3.18Å; S518-S546 VanDerWaalsContact CB-OG 3.23Å; S518-S546 WeakPolarHBondContact CB-OG 3.46Å; S518-S546 PolarHBondContact OG-OG 2.99Å; S518-A547 CarbonylContact C-O 3.56Å; S518-A547 VanDerWaalsContact CA-O 3.31Å; S518-A547 WeakPolarHBondContact CA-O 3.49Å; S518-L552 WeakPolarHBondContact O-CD1 3.37Å
519	M	77.9	Confident	92.1	Very high	54 Å²	54	51.2 Å²	51.2	27%	0.266	26%	0.259	S	S	.	.	S	Bend	trans	-77.6	-18.9	160.4	78.4	172	59.4	0	0	112.6	I36 S546 A547	I36-M519 HydrophobicContact CD1-CB 4.42Å; I36-M519 WeakPolarHBondContact CD1-O 3.19Å; I36-M519 WeakPolarHBondContact CG1-O 3.27Å; M519-S546 WeakPolarHBondContact CB-OG 3.31Å; M519-S546 WeakPolarHBondContact CG-OG 3.34Å; M519-S546 PolarHBondContact N-OG 2.98Å; M519-A547 PolarHBondContact N-O 3.46Å; M519-A547 VanDerWaalsContact N-O 3.15Å
520	N	82.1	Confident	91.7	Very high	61 Å²	61	61.9 Å²	61.9	33%	0.326	30%	0.299	S	S	.	.	S	Bend	trans	-111.6	158.2	174.2	-67.5	-55	0	0	0	109	P35 F517 S518	P35-N520 WeakPolarHBondContact CB-OD1 3.45Å; P35-N520 WeakPolarHBondContact CG-OD1 3.39Å; F517-N520 CarbonylContact C-O 3.53Å; F517-N520 WeakPolarHBondContact CA-O 3.25Å; S518-N520 VanDerWaalsContact C-N 3.3Å; S518-N520 PolarHBondContact N-O 3.38Å
521	I	90.4	Very high	91.6	Very high	24 Å²	24	57.7 Å²	57.7	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.3	174.6	-177.1	163.8	0	0	0	109.6	L39 L515 C516 F517 L552 P553 W556	L39-I521 HydrophobicContact CD1-CG2 3.38Å; L515-I521 HydrophobicContact CB-CD1 4.06Å; L515-I521 HydrophobicContact CB-CG1 4.16Å; L515-I521 HydrophobicContact CD1-CD1 3.79Å; L515-I521 HydrophobicContact CD1-CG1 4.44Å; L515-I521 HydrophobicContact CG-CD1 4.46Å; C516-I521 WeakPolarHBondContact O-CA 3.35Å; F517-I521 HydrophobicContact CB-CB 4Å; F517-I521 HydrophobicContact CB-CD1 3.97Å; F517-I521 HydrophobicContact CB-CG1 3.94Å; I521-L552 HydrophobicContact CB-CB 4.3Å; I521-L552 HydrophobicContact CB-CD1 4.32Å; I521-L552 HydrophobicContact CD1-CB 3.75Å; I521-L552 HydrophobicContact CG2-CB 4.35Å; I521-P553 HydrophobicContact CD1-CB 4.45Å; I521-P553 HydrophobicContact CD1-CG 4.15Å; I521-W556 HydrophobicContact CD1-CB 3.93Å; I521-W556 HydrophobicContact CD1-CG 4.28Å; I521-W556 HydrophobicContact CG1-CG 4.49Å; I521-W556 HydrophobicContact CG2-CB 4.29Å; I521-W556 HydrophobicContact CG2-CG 4.3Å
522	D	91.2	Very high	91.4	Very high	95 Å²	95	52.5 Å²	52.5	51%	0.508	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.5	174.3	-151.6	-4.8	0	0	0	112	L515 C516 F543	L515-D522 WeakPolarHBondContact CA-O 3.3Å; C516-D522 PolarHBondContact N-O 3.29Å; C516-D522 PolarHBondContact O-N 3.39Å; C516-D522 VanDerWaalsContact O-N 3.17Å; D522-F543 HydrophobicContact CB-CE1 3.65Å; D522-F543 HydrophobicContact CB-CZ 3.87Å
523	E	94.6	Very high	91	Very high	65 Å²	65	52 Å²	52	30%	0.304	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.2	176.5	-174	174	-157.3	0	0	109.9	S513 L514 L515 W556 K562	S513-E523 WeakPolarHBondContact CB-OE1 3.39Å; S513-E523 PolarHBondContact OG-OE1 2.94Å; L514-E523 CarbonylContact O-C 3.57Å; L514-E523 WeakPolarHBondContact O-CA 3.41Å; L515-E523 HydrophobicContact CD2-CB 3.6Å; L515-E523 HydrophobicContact CD2-CG 3.98Å; E523-W556 HydrophobicContact CB-CH2 4.04Å; E523-W556 HydrophobicContact CB-CZ2 3.96Å; E523-W556 HydrophobicContact CG-CH2 4.43Å; E523-W556 WeakPolarHBondContact OE2-CH2 3.21Å; E523-K562 IonicContact OE1-NZ 2.71Å; E523-K562 PolarHBondContact OE1-NZ 3.07Å; E523-K562 IonicContact OE2-NZ 3.41Å; E523-K562 PolarHBondContact OE2-NZ 3.26Å
524	V	94.4	Very high	90.7	Very high	9 Å²	9	54 Å²	54	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124	-178.3	-177.9	0	0	0	0	110.1	L514 C516 V526 F529 L535 F543	L514-V524 HydrophobicContact CD2-CB 4.31Å; L514-V524 PolarHBondContact O-N 3.38Å; C516-V524 HydrophobicContact CB-CG2 4.46Å; V524-V526 PolarHBondContact O-N 3.02Å; V524-F529 HydrophobicContact CG1-CE2 3.59Å; V524-F529 HydrophobicContact CG1-CZ 4.17Å; V524-L535 HydrophobicContact CG1-CD1 3.58Å; V524-F543 HydrophobicContact CG2-CE2 3.88Å; V524-F543 HydrophobicContact CG2-CZ 3.56Å
525	D	93.8	Very high	90.4	Very high	75 Å²	75	54 Å²	54	40%	0.401	25%	0.252	S	S	.	.			trans	-77.4	94.1	176.1	-177.9	8.2	0	0	0	111.1	K527 K528 F529	D525-K527 PolarHBondContact O-N 3.45Å; D525-K527 WeakPolarHBondContact OD1-CB 3.38Å; D525-K527 PolarHBondContact OD1-N 2.95Å; D525-K527 VanDerWaalsContact OD1-N 3.15Å; D525-K528 HydrophobicContact CB-CD 4.05Å; D525-K528 HydrophobicContact CB-CG 4.21Å; D525-K528 WeakPolarHBondContact O-CB 3.44Å; D525-K528 PolarHBondContact O-N 3.08Å; D525-K528 VanDerWaalsContact O-N 3.08Å; D525-K528 VanDerWaalsContact OD2-CE 3.31Å; D525-K528 WeakPolarHBondContact OD2-CE 3.47Å; D525-F529 WeakPolarHBondContact O-CD2 3.49Å; D525-F529 VanDerWaalsContact O-CE2 3.27Å; D525-F529 WeakPolarHBondContact O-CE2 3.27Å
526	V	92.9	Very high	90.2	Very high	23 Å²	23	54.3 Å²	54.3	14%	0.139	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-53	-29.1	179.9	176.5	0	0	0	0	112.8	L503 F506 L514 V524 K528 F529	L503-V526 HydrophobicContact CD2-CG1 3.51Å; L503-V526 HydrophobicContact CD2-CG2 4.29Å; F506-V526 HydrophobicContact CD1-CB 4.02Å; F506-V526 HydrophobicContact CD1-CG1 4.14Å; F506-V526 HydrophobicContact CD1-CG2 3.98Å; F506-V526 HydrophobicContact CD2-CG2 4.43Å; F506-V526 HydrophobicContact CE1-CB 4.08Å; F506-V526 HydrophobicContact CE1-CG2 3.63Å; F506-V526 HydrophobicContact CE2-CG2 4.13Å; F506-V526 HydrophobicContact CG-CG1 4.21Å; F506-V526 HydrophobicContact CG-CG2 4.39Å; F506-V526 HydrophobicContact CZ-CG2 3.75Å; L514-V526 HydrophobicContact CB-CG2 3.74Å; L514-V526 HydrophobicContact CD2-CG2 3.6Å; L514-V526 HydrophobicContact CG-CG2 4.3Å; V524-V526 PolarHBondContact O-N 3.02Å; V526-K528 PolarHBondContact O-N 3.23Å; V526-K528 VanDerWaalsContact O-N 3.1Å; V526-F529 PolarHBondContact O-N 3.04Å; V526-F529 VanDerWaalsContact O-N 3.14Å
527	K	91.6	Very high	90	Very high	195 Å²	195	58.4 Å²	58.4	85%	0.848	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-65.9	-15.2	-178.2	-62.6	175	-179.3	172.3	0	113.4	D525 F529	D525-K527 PolarHBondContact O-N 3.45Å; D525-K527 WeakPolarHBondContact OD1-CB 3.38Å; D525-K527 PolarHBondContact OD1-N 2.95Å; D525-K527 VanDerWaalsContact OD1-N 3.15Å; K527-F529 VanDerWaalsContact C-N 3.3Å
528	K	93.1	Very high	89.9	Confident	157 Å²	157	61.3 Å²	61.3	68%	0.683	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-80.1	-9.2	178	-63.9	179	-177.7	170.3	0	113.4	D525 V526	D525-K528 HydrophobicContact CB-CD 4.05Å; D525-K528 HydrophobicContact CB-CG 4.21Å; D525-K528 WeakPolarHBondContact O-CB 3.44Å; D525-K528 PolarHBondContact O-N 3.08Å; D525-K528 VanDerWaalsContact O-N 3.08Å; D525-K528 VanDerWaalsContact OD2-CE 3.31Å; D525-K528 WeakPolarHBondContact OD2-CE 3.47Å; V526-K528 PolarHBondContact O-N 3.23Å; V526-K528 VanDerWaalsContact O-N 3.1Å
529	F	92.7	Very high	90.1	Very high	47 Å²	47	61.3 Å²	61.3	21%	0.206	29%	0.288	C	S	.	.			trans	-117.3	144	-172.9	-51.3	-75.7	0	0	0	111	V524 D525 V526 K527 D534 L535 H538	V524-F529 HydrophobicContact CG1-CE2 3.59Å; V524-F529 HydrophobicContact CG1-CZ 4.17Å; D525-F529 WeakPolarHBondContact O-CD2 3.49Å; D525-F529 VanDerWaalsContact O-CE2 3.27Å; D525-F529 WeakPolarHBondContact O-CE2 3.27Å; V526-F529 PolarHBondContact O-N 3.04Å; V526-F529 VanDerWaalsContact O-N 3.14Å; K527-F529 VanDerWaalsContact C-N 3.3Å; F529-D534 HydrophobicContact CB-CB 4.16Å; F529-D534 HydrophobicContact CD1-CB 4.34Å; F529-L535 HydrophobicContact CB-CB 4.04Å; F529-L535 HydrophobicContact CD1-CB 4.49Å; F529-L535 HydrophobicContact CD2-CB 4.23Å; F529-L535 HydrophobicContact CD2-CD1 3.71Å; F529-L535 HydrophobicContact CE2-CD1 3.76Å; F529-L535 HydrophobicContact CG-CB 3.97Å; F529-L535 HydrophobicContact CG-CD1 4.25Å; F529-L535 HydrophobicContact CZ-CD1 4.36Å; F529-H538 HydrophobicContact CD1-CB 4.22Å; F529-H538 HydrophobicContact CE1-CB 3.35Å; F529-H538 AromaticContact CE1-CG 3.59Å; F529-H538 HydrophobicContact CZ-CB 3.68Å; F529-H538 AromaticContact CZ-CD2 3.46Å; F529-H538 VanDerWaalsContact CZ-CD2 3.46Å; F529-H538 WeakPolarHBondContact CZ-CD2 3.22Å; F529-H538 AromaticContact CZ-CG 3.41Å; F529-H538 VanDerWaalsContact CZ-CG 3.41Å; F529-H538 AromaticContact CZ-ND1 3.97Å
530	R	86.8	Confident	90.5	Very high	238 Å²	238	60.7 Å²	60.7	90%	0.898	29%	0.288	S	S	*	.	S	Bend	trans	-82.4	-23.5	-176.8	-60.4	179.4	171.8	-175.4	-1	113.3	D534	R530-D534 VanDerWaalsContact CB-OD2 3.32Å; R530-D534 WeakPolarHBondContact CB-OD2 3.37Å; R530-D534 PolarHBondContact N-OD2 2.91Å
531	G	88.3	Confident	90.7	Very high	9 Å²	9	63.5 Å²	63.5	9%	0.093	30%	0.302	C	S	.	.	S	Bend	trans	-166.8	-178.2	-177.6	0	0	0	0	0	110.5	E456 D533 D534 L535	E456-G531 WeakPolarHBondContact OE1-CA 3.43Å; G531-D533 VanDerWaalsContact C-N 3.3Å; G531-D533 PolarHBondContact O-N 2.88Å; G531-D534 PolarHBondContact O-N 2.78Å; G531-L535 PolarHBondContact O-N 3.32Å
532	Y	91.4	Very high	90.4	Very high	1 Å²	1	67.4 Å²	67.4	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-68.8	-28.1	-173.7	76.1	-90	0	0	0	113.4	L387 H390 E456 H496 A500 W536	L387-Y532 HydrophobicContact CD1-CE1 3.82Å; L387-Y532 HydrophobicContact CD1-CE2 4.01Å; L387-Y532 VanDerWaalsContact CD1-CZ 3.49Å; L387-Y532 WeakPolarHBondContact CD1-OH 3.34Å; H390-Y532 AromaticContact CE1-CE1 3.68Å; H390-Y532 AromaticContact CE1-CZ 3.9Å; H390-Y532 PolarHBondContact CE1-OH 3.24Å; H390-Y532 AromaticContact ND1-CE1 3.53Å; H390-Y532 AromaticContact ND1-CZ 3.5Å; H390-Y532 PolarHBondContact ND1-OH 2.94Å; E456-Y532 HydrophobicContact CG-CD1 4.38Å; E456-Y532 HydrophobicContact CG-CE1 4.4Å; H496-Y532 AromaticContact CD2-CD2 3.88Å; H496-Y532 AromaticContact CD2-CE2 3.81Å; H496-Y532 AromaticContact NE2-CD2 3.75Å; H496-Y532 AromaticContact NE2-CE2 3.4Å; H496-Y532 WeakPolarHBondContact NE2-CE2 3.49Å; A500-Y532 HydrophobicContact CB-CD1 4.11Å; A500-Y532 HydrophobicContact CB-CD2 3.57Å; A500-Y532 HydrophobicContact CB-CE1 4.48Å; A500-Y532 HydrophobicContact CB-CE2 3.97Å; A500-Y532 HydrophobicContact CB-CG 3.64Å; Y532-W536 VanDerWaalsContact O-CB 3.3Å; Y532-W536 WeakPolarHBondContact O-CB 3.49Å; Y532-W536 PolarHBondContact O-N 3.19Å
533	D	87.3	Confident	90	Very high	16 Å²	16	64.3 Å²	64.3	9%	0.086	31%	0.306	C	S	.	.	H	α-helix	trans	-70.3	-44.6	177.9	-76	-33.6	0	0	0	111.8	H390 K394 H496 G531 L535 W536 D537	H390-D533 IonicContact CE1-OD2 2.85Å; H390-D533 PolarHBondContact CE1-OD2 2.79Å; K394-D533 WeakPolarHBondContact CD-OD2 3.5Å; K394-D533 WeakPolarHBondContact CE-OD2 3.46Å; K394-D533 VanDerWaalsContact NZ-CG 3.28Å; K394-D533 IonicContact NZ-OD2 2.79Å; K394-D533 PolarHBondContact NZ-OD2 3.07Å; H496-D533 IonicContact CE1-OD1 3.16Å; H496-D533 PolarHBondContact CE1-OD1 3.27Å; H496-D533 IonicContact NE2-OD1 3.81Å; H496-D533 PolarHBondContact NE2-OD1 3.19Å; G531-D533 VanDerWaalsContact C-N 3.3Å; G531-D533 PolarHBondContact O-N 2.88Å; D533-L535 PolarHBondContact O-N 2.87Å; D533-W536 WeakPolarHBondContact O-CB 3.43Å; D533-W536 PolarHBondContact O-N 3.42Å; D533-W536 VanDerWaalsContact O-N 3.08Å; D533-D537 PolarHBondContact O-N 3.49Å
534	D	89.9	Confident	89.1	Confident	63 Å²	63	66.5 Å²	66.5	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-37	176.3	-67	3.1	0	0	0	111	F529 R530 G531 H538	F529-D534 HydrophobicContact CB-CB 4.16Å; F529-D534 HydrophobicContact CD1-CB 4.34Å; R530-D534 VanDerWaalsContact CB-OD2 3.32Å; R530-D534 WeakPolarHBondContact CB-OD2 3.37Å; R530-D534 PolarHBondContact N-OD2 2.91Å; G531-D534 PolarHBondContact O-N 2.78Å; D534-H538 PolarHBondContact O-N 2.95Å; D534-H538 VanDerWaalsContact O-N 3.13Å
535	L	92.8	Very high	88	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.2	-42.1	173.7	173.4	59.5	0	0	0	111.3	T499 L503 L514 V524 F529 G531 D533 H538 I539	T499-L535 HydrophobicContact CG2-CB 4.19Å; T499-L535 HydrophobicContact CG2-CD2 3.59Å; T499-L535 HydrophobicContact CG2-CG 3.66Å; L503-L535 HydrophobicContact CD1-CD2 4.5Å; L503-L535 HydrophobicContact CD2-CD2 3.91Å; L503-L535 HydrophobicContact CG-CD2 4.41Å; L514-L535 HydrophobicContact CD2-CD1 4.22Å; L514-L535 HydrophobicContact CD2-CD2 3.75Å; V524-L535 HydrophobicContact CG1-CD1 3.58Å; F529-L535 HydrophobicContact CB-CB 4.04Å; F529-L535 HydrophobicContact CD1-CB 4.49Å; F529-L535 HydrophobicContact CD2-CB 4.23Å; F529-L535 HydrophobicContact CD2-CD1 3.71Å; F529-L535 HydrophobicContact CE2-CD1 3.76Å; F529-L535 HydrophobicContact CG-CB 3.97Å; F529-L535 HydrophobicContact CG-CD1 4.25Å; F529-L535 HydrophobicContact CZ-CD1 4.36Å; G531-L535 PolarHBondContact O-N 3.32Å; D533-L535 PolarHBondContact O-N 2.87Å; L535-H538 WeakPolarHBondContact O-CB 3.24Å; L535-H538 PolarHBondContact O-N 3.18Å; L535-I539 HydrophobicContact CD1-CD1 4.11Å; L535-I539 HydrophobicContact CD1-CG1 4.29Å; L535-I539 HydrophobicContact CG-CD1 4Å; L535-I539 WeakPolarHBondContact O-CG1 3.42Å; L535-I539 PolarHBondContact O-N 2.9Å
536	W	91.9	Very high	87.3	Confident	7 Å²	7	65.1 Å²	65.1	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-40.6	177.3	-178.5	-112.2	0	0	0	112.5	Y431 A495 H496 T499 Y532 D533 H538 I539 T540 M545	Y431-W536 HydrophobicContact CD1-CZ2 4.14Å; Y431-W536 AromaticContact CE1-CZ2 3.79Å; Y431-W536 HydrophobicContact CE1-CZ2 3.79Å; A495-W536 HydrophobicContact CB-CH2 3.3Å; A495-W536 HydrophobicContact CB-CZ2 4.35Å; A495-W536 HydrophobicContact CB-CZ3 3.56Å; H496-W536 HydrophobicContact CB-CD2 3.79Å; H496-W536 HydrophobicContact CB-CE3 4.31Å; H496-W536 HydrophobicContact CB-CG 4.19Å; H496-W536 HydrophobicContact CB-CH2 4.46Å; H496-W536 HydrophobicContact CB-CZ2 3.93Å; H496-W536 AromaticContact CD2-CD1 3.46Å; H496-W536 VanDerWaalsContact CD2-CD1 3.46Å; H496-W536 AromaticContact CD2-CD2 3.81Å; H496-W536 AromaticContact CD2-CG 3.3Å; H496-W536 AromaticContact CD2-NE1 3.97Å; H496-W536 AromaticContact CE1-CD1 3.57Å; H496-W536 AromaticContact CG-CD1 3.52Å; H496-W536 AromaticContact CG-CD2 3.83Å; H496-W536 AromaticContact CG-CE2 3.79Å; H496-W536 AromaticContact CG-CG 3.67Å; H496-W536 AromaticContact CG-NE1 3.55Å; H496-W536 AromaticContact ND1-CD1 3.61Å; H496-W536 AromaticContact ND1-NE1 3.62Å; H496-W536 AromaticContact NE2-CD1 3.49Å; H496-W536 AromaticContact NE2-CG 3.65Å; T499-W536 HydrophobicContact CG2-CB 4.37Å; Y532-W536 VanDerWaalsContact O-CB 3.3Å; Y532-W536 WeakPolarHBondContact O-CB 3.49Å; Y532-W536 PolarHBondContact O-N 3.19Å; D533-W536 WeakPolarHBondContact O-CB 3.43Å; D533-W536 PolarHBondContact O-N 3.42Å; D533-W536 VanDerWaalsContact O-N 3.08Å; W536-H538 VanDerWaalsContact C-N 3.26Å; W536-H538 PolarHBondContact O-N 3.24Å; W536-I539 HydrophobicContact CE3-CB 4.21Å; W536-I539 HydrophobicContact CE3-CD1 4.29Å; W536-I539 HydrophobicContact CE3-CG2 4.15Å; W536-I539 HydrophobicContact CZ3-CB 4.44Å; W536-I539 HydrophobicContact CZ3-CG2 3.88Å; W536-I539 PolarHBondContact O-N 2.98Å; W536-T540 HydrophobicContact CD2-CG2 3.93Å; W536-T540 HydrophobicContact CE3-CG2 4.46Å; W536-T540 HydrophobicContact CG-CG2 4.42Å; W536-T540 HydrophobicContact CH2-CG2 3.99Å; W536-T540 HydrophobicContact CZ2-CG2 3.41Å; W536-T540 VanDerWaalsContact CZ2-CG2 3.41Å; W536-T540 HydrophobicContact CZ3-CG2 4.49Å; W536-T540 WeakPolarHBondContact O-CG2 3.35Å; W536-T540 PolarHBondContact O-N 3.2Å; W536-T540 PolarHBondContact O-OG1 3.32Å; W536-M545 HydrophobicContact CH2-CE 3.63Å; W536-M545 HydrophobicContact CZ2-CE 4.09Å
537	D	89.5	Confident	86.8	Confident	87 Å²	87	64.8 Å²	64.8	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-39.9	172.3	-72.4	-15.4	0	0	0	110.4	D533 T540 N541	D533-D537 PolarHBondContact O-N 3.49Å; D537-T540 WeakPolarHBondContact CA-OG1 3.34Å; D537-T540 PolarHBondContact O-OG1 3.14Å; D537-N541 VanDerWaalsContact O-CB 3.28Å; D537-N541 WeakPolarHBondContact O-CB 3.41Å; D537-N541 VanDerWaalsContact O-CG 3.24Å; D537-N541 PolarHBondContact O-N 3.24Å; D537-N541 VanDerWaalsContact O-N 3.14Å; D537-N541 PolarHBondContact O-ND2 2.89Å
538	H	90.5	Very high	86.4	Confident	60 Å²	60	55.5 Å²	55.5	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-46.9	173.1	174.9	72.8	0	0	0	112.4	F529 D534 L535 W536 T540 N541 N542	F529-H538 HydrophobicContact CD1-CB 4.22Å; F529-H538 HydrophobicContact CE1-CB 3.35Å; F529-H538 AromaticContact CE1-CG 3.59Å; F529-H538 HydrophobicContact CZ-CB 3.68Å; F529-H538 AromaticContact CZ-CD2 3.46Å; F529-H538 VanDerWaalsContact CZ-CD2 3.46Å; F529-H538 WeakPolarHBondContact CZ-CD2 3.22Å; F529-H538 AromaticContact CZ-CG 3.41Å; F529-H538 VanDerWaalsContact CZ-CG 3.41Å; F529-H538 AromaticContact CZ-ND1 3.97Å; D534-H538 PolarHBondContact O-N 2.95Å; D534-H538 VanDerWaalsContact O-N 3.13Å; L535-H538 WeakPolarHBondContact O-CB 3.24Å; L535-H538 PolarHBondContact O-N 3.18Å; W536-H538 VanDerWaalsContact C-N 3.26Å; W536-H538 PolarHBondContact O-N 3.24Å; H538-T540 PolarHBondContact O-N 2.89Å; H538-N541 PolarHBondContact O-N 2.88Å; H538-N542 PolarHBondContact CE1-ND2 2.94Å; H538-N542 PolarHBondContact ND1-ND2 2.86Å; H538-N542 WeakPolarHBondContact O-CB 3.25Å; H538-N542 PolarHBondContact O-N 3.18Å; H538-N542 VanDerWaalsContact O-N 3.07Å; H538-N542 PolarHBondContact O-ND2 3.15Å
539	I	89.2	Confident	86.3	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-51.8	179.6	-70.4	166.4	0	0	0	110.3	I479 T499 L535 W536 N541 N542 F543	I479-I539 HydrophobicContact CB-CG2 4.46Å; I479-I539 HydrophobicContact CD1-CG2 4.36Å; I479-I539 HydrophobicContact CG2-CG2 3.77Å; T499-I539 HydrophobicContact CG2-CD1 3.97Å; L535-I539 HydrophobicContact CD1-CD1 4.11Å; L535-I539 HydrophobicContact CD1-CG1 4.29Å; L535-I539 HydrophobicContact CG-CD1 4Å; L535-I539 WeakPolarHBondContact O-CG1 3.42Å; L535-I539 PolarHBondContact O-N 2.9Å; W536-I539 HydrophobicContact CE3-CB 4.21Å; W536-I539 HydrophobicContact CE3-CD1 4.29Å; W536-I539 HydrophobicContact CE3-CG2 4.15Å; W536-I539 HydrophobicContact CZ3-CB 4.44Å; W536-I539 HydrophobicContact CZ3-CG2 3.88Å; W536-I539 PolarHBondContact O-N 2.98Å; I539-N541 VanDerWaalsContact C-N 3.28Å; I539-N541 PolarHBondContact O-N 2.85Å; I539-N542 PolarHBondContact O-N 2.7Å; I539-F543 HydrophobicContact CB-CD2 4.43Å; I539-F543 HydrophobicContact CG2-CD2 4.33Å; I539-F543 WeakPolarHBondContact O-CB 3.27Å; I539-F543 WeakPolarHBondContact O-CD2 3.46Å; I539-F543 PolarHBondContact O-N 3.06Å
540	T	86.5	Confident	86.3	Confident	42 Å²	42	45.9 Å²	45.9	26%	0.258	23%	0.227	S	C	.	.	H	α-helix	trans	-65	-28.3	-178	51.5	0	0	0	0	113.9	W536 D537 H538 M545	W536-T540 HydrophobicContact CD2-CG2 3.93Å; W536-T540 HydrophobicContact CE3-CG2 4.46Å; W536-T540 HydrophobicContact CG-CG2 4.42Å; W536-T540 HydrophobicContact CH2-CG2 3.99Å; W536-T540 HydrophobicContact CZ2-CG2 3.41Å; W536-T540 VanDerWaalsContact CZ2-CG2 3.41Å; W536-T540 HydrophobicContact CZ3-CG2 4.49Å; W536-T540 WeakPolarHBondContact O-CG2 3.35Å; W536-T540 PolarHBondContact O-N 3.2Å; W536-T540 PolarHBondContact O-OG1 3.32Å; D537-T540 WeakPolarHBondContact CA-OG1 3.34Å; D537-T540 PolarHBondContact O-OG1 3.14Å; H538-T540 PolarHBondContact O-N 2.89Å; T540-M545 HydrophobicContact CG2-CE 4.38Å
541	N	86	Confident	86.6	Confident	119 Å²	119	34.5 Å²	34.5	64%	0.636	18%	0.184	S	C	*	.	H	α-helix	trans	-86.6	-17.4	178.1	-73.7	-50	0	0	0	114.2	D537 H538 I539	D537-N541 VanDerWaalsContact O-CB 3.28Å; D537-N541 WeakPolarHBondContact O-CB 3.41Å; D537-N541 VanDerWaalsContact O-CG 3.24Å; D537-N541 PolarHBondContact O-N 3.24Å; D537-N541 VanDerWaalsContact O-N 3.14Å; D537-N541 PolarHBondContact O-ND2 2.89Å; H538-N541 PolarHBondContact O-N 2.88Å; I539-N541 VanDerWaalsContact C-N 3.28Å; I539-N541 PolarHBondContact O-N 2.85Å
542	N	84.9	Confident	86.9	Confident	107 Å²	107	34.1 Å²	34.1	57%	0.572	18%	0.18	S	C	*	.	H	α-helix	trans	-122.1	-15.7	-170.9	-64.9	-85.2	0	0	0	114.5	H538 I539	H538-N542 PolarHBondContact CE1-ND2 2.94Å; H538-N542 PolarHBondContact ND1-ND2 2.86Å; H538-N542 WeakPolarHBondContact O-CB 3.25Å; H538-N542 PolarHBondContact O-N 3.18Å; H538-N542 VanDerWaalsContact O-N 3.07Å; H538-N542 PolarHBondContact O-ND2 3.15Å; I539-N542 PolarHBondContact O-N 2.7Å
543	F	81.7	Confident	87.1	Confident	29 Å²	29	34 Å²	34	13%	0.127	18%	0.179	C	C	.	.			trans	-115	136	-179.6	-64.9	-103.1	0	0	0	111.4	I479 C516 D522 V524 I539	I479-F543 HydrophobicContact CD1-CB 3.22Å; I479-F543 HydrophobicContact CD1-CD1 3.56Å; I479-F543 HydrophobicContact CD1-CG 3.54Å; C516-F543 HydrophobicContact CB-CD1 4.06Å; C516-F543 HydrophobicContact CB-CE1 3.67Å; C516-F543 HydrophobicContact CB-CE2 4.33Å; C516-F543 HydrophobicContact CB-CZ 3.82Å; D522-F543 HydrophobicContact CB-CE1 3.65Å; D522-F543 HydrophobicContact CB-CZ 3.87Å; V524-F543 HydrophobicContact CG2-CE2 3.88Å; V524-F543 HydrophobicContact CG2-CZ 3.56Å; I539-F543 HydrophobicContact CB-CD2 4.43Å; I539-F543 HydrophobicContact CG2-CD2 4.33Å; I539-F543 WeakPolarHBondContact O-CB 3.27Å; I539-F543 WeakPolarHBondContact O-CD2 3.46Å; I539-F543 PolarHBondContact O-N 3.06Å
544	E	75.7	Confident	87.6	Confident	112 Å²	112	33.3 Å²	33.3	52%	0.523	18%	0.175	S	C	.	.			trans	-84.8	122.3	173.4	-171.3	169.9	-164.9	0	0	110.3	S518 S546	S518-E544 PolarHBondContact OG-O 3.18Å; E544-S546 PolarHBondContact O-N 3.5Å
545	M	72	Confident	87.9	Confident	33 Å²	33	30.3 Å²	30.3	16%	0.163	16%	0.16	C	C	.	.			trans	-76	119.4	175.2	-60.3	-171.8	164.8	0	0	109.2	Y431 I479 W536 T540	Y431-M545 HydrophobicContact CE1-CE 4.24Å; Y431-M545 HydrophobicContact CE2-CE 3.8Å; Y431-M545 HydrophobicContact CE2-SD 3.47Å; Y431-M545 WeakPolarHBondContact CE2-SD 3.33Å; Y431-M545 VanDerWaalsContact CZ-CE 3.5Å; Y431-M545 VanDerWaalsContact OH-CE 3.22Å; Y431-M545 WeakPolarHBondContact OH-CE 3.15Å; Y431-M545 PolarHBondContact OH-SD 2.61Å; I479-M545 WeakPolarHBondContact O-CA 3.2Å; I479-M545 VanDerWaalsContact O-CG 3.29Å; I479-M545 WeakPolarHBondContact O-CG 3.45Å; W536-M545 HydrophobicContact CH2-CE 3.63Å; W536-M545 HydrophobicContact CZ2-CE 4.09Å; T540-M545 HydrophobicContact CG2-CE 4.38Å
546	S	79.7	Confident	88	Confident	21 Å²	21	31.2 Å²	31.2	15%	0.147	16%	0.163	C	C	.	.			trans	-149.1	-154	-169.9	60.7	0	0	0	0	110.8	S480 G481 S518 M519 E544	S480-S546 VanDerWaalsContact CA-O 3.24Å; S480-S546 WeakPolarHBondContact CA-O 3.4Å; S480-S546 WeakPolarHBondContact CB-O 3.48Å; G481-S546 PolarHBondContact N-O 2.89Å; S518-S546 VanDerWaalsContact CB-OG 3.23Å; S518-S546 WeakPolarHBondContact CB-OG 3.46Å; S518-S546 PolarHBondContact OG-OG 2.99Å; M519-S546 WeakPolarHBondContact CB-OG 3.31Å; M519-S546 WeakPolarHBondContact CG-OG 3.34Å; M519-S546 PolarHBondContact N-OG 2.98Å; E544-S546 PolarHBondContact O-N 3.5Å
547	A	81.5	Confident	88.3	Confident	16 Å²	16	30.9 Å²	30.9	13%	0.132	16%	0.161	C	C	.	.			trans	-63.2	162.4	180	0	0	0	0	0	112.2	S518 M519 W576 Y577	S518-A547 CarbonylContact C-O 3.56Å; S518-A547 VanDerWaalsContact CA-O 3.31Å; S518-A547 WeakPolarHBondContact CA-O 3.49Å; M519-A547 PolarHBondContact N-O 3.46Å; M519-A547 VanDerWaalsContact N-O 3.15Å; A547-W576 HydrophobicContact CB-CH2 4.45Å; A547-W576 HydrophobicContact CB-CZ2 3.67Å; A547-Y577 HydrophobicContact CB-CD1 4.38Å; A547-Y577 HydrophobicContact CB-CD2 3.79Å; A547-Y577 HydrophobicContact CB-CG 3.69Å
548	T	84	Confident	88.6	Confident	1 Å²	1	27 Å²	27	1%	0.006	14%	0.141	C	C	.	.			trans	-106.8	120.3	-173.1	-48.3	0	0	0	0	110.6	D478 S480 T575 W576 Y577	D478-T548 WeakPolarHBondContact OD2-CG2 3.34Å; S480-T548 WeakPolarHBondContact CB-OG1 3.15Å; S480-T548 PolarHBondContact OG-OG1 2.9Å; T548-T575 PolarHBondContact O-OG1 2.76Å; T548-W576 PolarHBondContact O-N 3.43Å; T548-Y577 PolarHBondContact O-N 2.96Å
549	D	90.1	Very high	88.8	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.147	C	C	.	.			trans	-127.5	94.8	168	-176.2	2.2	0	0	0	111.1	I36 Q50 F517 A551 L552 G578	I36-D549 HydrophobicContact CD1-CB 4.25Å; Q50-D549 PolarHBondContact NE2-OD1 3.03Å; F517-D549 WeakPolarHBondContact CD2-O 3.31Å; D549-A551 PolarHBondContact O-N 2.62Å; D549-A551 WeakPolarHBondContact OD1-CB 3.42Å; D549-A551 PolarHBondContact OD1-N 2.66Å; D549-L552 HydrophobicContact CB-CD1 3.92Å; D549-L552 HydrophobicContact CB-CG 3.78Å; D549-L552 WeakPolarHBondContact O-CB 3.45Å; D549-L552 WeakPolarHBondContact O-CG 3.26Å; D549-L552 PolarHBondContact O-N 2.77Å; D549-G578 VanDerWaalsContact CG-CA 3.48Å; D549-G578 VanDerWaalsContact OD2-CA 3.27Å; D549-G578 WeakPolarHBondContact OD2-CA 3.44Å
550	C	92.5	Very high	89	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.7	178.2	-62.5	0	0	0	0	114	F517 M554 T575 P582 I612	F517-C550 HydrophobicContact CE2-CB 4.44Å; C550-M554 VanDerWaalsContact O-CE 3.31Å; C550-M554 WeakPolarHBondContact O-CE 3.42Å; C550-T575 PolarHBondContact N-OG1 2.95Å; C550-P582 HydrophobicContact CB-CB 4.5Å; C550-P582 HydrophobicContact CB-CG 3.84Å; C550-I612 HydrophobicContact CB-CD1 3.56Å; C550-I612 HydrophobicContact CB-CG2 4.45Å
551	A	94.1	Very high	89.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-22	173.3	0	0	0	0	0	112.5	D549 M554 L555 V580 P582 A585	D549-A551 PolarHBondContact O-N 2.62Å; D549-A551 WeakPolarHBondContact OD1-CB 3.42Å; D549-A551 PolarHBondContact OD1-N 2.66Å; A551-M554 PolarHBondContact O-N 2.91Å; A551-L555 HydrophobicContact CB-CD1 4.1Å; A551-L555 HydrophobicContact CB-CG 4.46Å; A551-L555 WeakPolarHBondContact O-CG 3.48Å; A551-L555 PolarHBondContact O-N 3.04Å; A551-L555 VanDerWaalsContact O-N 3.09Å; A551-V580 WeakPolarHBondContact CB-O 3.46Å; A551-P582 HydrophobicContact CB-CG 4.43Å; A551-A585 HydrophobicContact CB-CB 3.77Å
552	L	94.3	Very high	90	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-54.6	-43.5	-172.6	-68.2	177.5	0	0	0	114.4	I36 L39 F517 S518 I521 D549 M554 L555 W556	I36-L552 HydrophobicContact CB-CD2 4.42Å; I36-L552 HydrophobicContact CD1-CD1 4.36Å; I36-L552 HydrophobicContact CD1-CD2 4.28Å; I36-L552 HydrophobicContact CG1-CD2 4.1Å; I36-L552 HydrophobicContact CG2-CD2 3.74Å; L39-L552 HydrophobicContact CD1-CD2 3.79Å; F517-L552 HydrophobicContact CB-CB 4.44Å; F517-L552 HydrophobicContact CB-CD1 4.26Å; S518-L552 WeakPolarHBondContact O-CD1 3.37Å; I521-L552 HydrophobicContact CB-CB 4.3Å; I521-L552 HydrophobicContact CB-CD1 4.32Å; I521-L552 HydrophobicContact CD1-CB 3.75Å; I521-L552 HydrophobicContact CG2-CB 4.35Å; D549-L552 HydrophobicContact CB-CD1 3.92Å; D549-L552 HydrophobicContact CB-CG 3.78Å; D549-L552 WeakPolarHBondContact O-CB 3.45Å; D549-L552 WeakPolarHBondContact O-CG 3.26Å; D549-L552 PolarHBondContact O-N 2.77Å; L552-M554 VanDerWaalsContact C-N 3.31Å; L552-M554 PolarHBondContact O-N 3.33Å; L552-L555 PolarHBondContact O-N 2.75Å; L552-W556 WeakPolarHBondContact O-CB 3.27Å; L552-W556 PolarHBondContact O-N 3.14Å
553	P	95.8	Very high	90.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-40.4	-179.7	-29.2	39.5	0	0	0	113.4	L515 F517 I521 A557 F567 I569	L515-P553 HydrophobicContact CD1-CB 4.14Å; F517-P553 HydrophobicContact CD1-CG 3.68Å; F517-P553 HydrophobicContact CE1-CG 3.82Å; F517-P553 HydrophobicContact CG-CG 4.2Å; F517-P553 HydrophobicContact CZ-CG 4.44Å; I521-P553 HydrophobicContact CD1-CB 4.45Å; I521-P553 HydrophobicContact CD1-CG 4.15Å; P553-A557 VanDerWaalsContact O-CB 3.31Å; P553-A557 WeakPolarHBondContact O-CB 3.46Å; P553-A557 PolarHBondContact O-N 3.29Å; P553-A557 VanDerWaalsContact O-N 3.09Å; P553-F567 HydrophobicContact CB-CD1 4.35Å; P553-I569 HydrophobicContact CB-CD1 3.84Å; P553-I569 HydrophobicContact CG-CD1 3.7Å
554	M	97.2	Very high	91.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-73.8	-42.6	178.5	-67	77.1	74.5	0	0	111.5	C550 A551 L552 A557 A558 F567 P582 A585 L586	C550-M554 VanDerWaalsContact O-CE 3.31Å; C550-M554 WeakPolarHBondContact O-CE 3.42Å; A551-M554 PolarHBondContact O-N 2.91Å; L552-M554 VanDerWaalsContact C-N 3.31Å; L552-M554 PolarHBondContact O-N 3.33Å; M554-A557 PolarHBondContact O-N 3.46Å; M554-A558 VanDerWaalsContact O-CB 3.31Å; M554-A558 WeakPolarHBondContact O-CB 3.41Å; M554-A558 PolarHBondContact O-N 2.82Å; M554-F567 HydrophobicContact CB-CE1 4.44Å; M554-F567 HydrophobicContact CG-CD1 3.94Å; M554-F567 HydrophobicContact CG-CD2 4.19Å; M554-F567 HydrophobicContact CG-CE1 3.94Å; M554-F567 HydrophobicContact CG-CE2 4.19Å; M554-F567 HydrophobicContact CG-CG 4.07Å; M554-F567 HydrophobicContact CG-CZ 4.07Å; M554-F567 HydrophobicContact SD-CB 4.44Å; M554-F567 HydrophobicContact SD-CD1 3.98Å; M554-F567 HydrophobicContact SD-CE1 4.48Å; M554-F567 HydrophobicContact SD-CG 4.16Å; M554-P582 HydrophobicContact CE-CB 3.97Å; M554-P582 WeakPolarHBondContact CE-O 3.49Å; M554-A585 HydrophobicContact CB-CB 3.96Å; M554-A585 HydrophobicContact CE-CB 4.31Å; M554-L586 HydrophobicContact CG-CB 4.31Å; M554-L586 HydrophobicContact CG-CD1 4Å
555	L	95.6	Very high	92.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-43.6	176.6	-66.7	176.5	0	0	0	111.8	L39 I40 L44 A551 L552 A558 K559 V580 A585	L39-L555 HydrophobicContact CB-CB 4.49Å; I40-L555 HydrophobicContact CG1-CD1 4.29Å; L44-L555 HydrophobicContact CD1-CD2 3.77Å; A551-L555 HydrophobicContact CB-CD1 4.1Å; A551-L555 HydrophobicContact CB-CG 4.46Å; A551-L555 WeakPolarHBondContact O-CG 3.48Å; A551-L555 PolarHBondContact O-N 3.04Å; A551-L555 VanDerWaalsContact O-N 3.09Å; L552-L555 PolarHBondContact O-N 2.75Å; L555-A558 PolarHBondContact O-N 3.06Å; L555-K559 WeakPolarHBondContact O-CB 3.31Å; L555-K559 PolarHBondContact O-N 3.46Å; L555-V580 HydrophobicContact CD1-CB 4.29Å; L555-V580 HydrophobicContact CD1-CG2 4.39Å; L555-A585 HydrophobicContact CD2-CB 3.98Å; L555-A585 HydrophobicContact CG-CB 3.97Å
556	W	96	Very high	93.8	Very high	18 Å²	18	25.7 Å²	25.7	7%	0.068	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-45.3	177	-178.7	98.8	0	0	0	111.3	L515 I521 E523 L552 A558 K559 H560 K562 F564	L515-W556 HydrophobicContact CD1-CD2 4.05Å; L515-W556 HydrophobicContact CD1-CE3 3.57Å; L515-W556 HydrophobicContact CD1-CG 4.48Å; L515-W556 HydrophobicContact CD1-CZ3 4.09Å; L515-W556 HydrophobicContact CD2-CD2 4.21Å; L515-W556 HydrophobicContact CD2-CE3 3.95Å; L515-W556 HydrophobicContact CD2-CH2 3.98Å; L515-W556 HydrophobicContact CD2-CZ2 4.23Å; L515-W556 HydrophobicContact CD2-CZ3 3.83Å; L515-W556 HydrophobicContact CG-CE3 4.43Å; I521-W556 HydrophobicContact CD1-CB 3.93Å; I521-W556 HydrophobicContact CD1-CG 4.28Å; I521-W556 HydrophobicContact CG1-CG 4.49Å; I521-W556 HydrophobicContact CG2-CB 4.29Å; I521-W556 HydrophobicContact CG2-CG 4.3Å; E523-W556 HydrophobicContact CB-CH2 4.04Å; E523-W556 HydrophobicContact CB-CZ2 3.96Å; E523-W556 HydrophobicContact CG-CH2 4.43Å; E523-W556 WeakPolarHBondContact OE2-CH2 3.21Å; L552-W556 WeakPolarHBondContact O-CB 3.27Å; L552-W556 PolarHBondContact O-N 3.14Å; W556-A558 VanDerWaalsContact C-N 3.35Å; W556-A558 PolarHBondContact O-N 2.83Å; W556-K559 PolarHBondContact O-N 2.84Å; W556-H560 AromaticContact CD1-CE1 3.4Å; W556-H560 VanDerWaalsContact CD1-CE1 3.4Å; W556-H560 AromaticContact CD1-ND1 3.59Å; W556-H560 AromaticContact CD2-ND1 3.6Å; W556-H560 AromaticContact CE2-CE1 3.7Å; W556-H560 AromaticContact CE2-ND1 3.47Å; W556-H560 AromaticContact CG-CE1 3.95Å; W556-H560 AromaticContact CG-ND1 3.67Å; W556-H560 AromaticContact NE1-CE1 3.23Å; W556-H560 PolarHBondContact NE1-CE1 2.84Å; W556-H560 AromaticContact NE1-ND1 3.48Å; W556-H560 PolarHBondContact NE1-ND1 3.31Å; W556-H560 PolarHBondContact O-N 3.09Å; W556-H560 PolarHBondContact O-ND1 3.3Å; W556-K562 HydrophobicContact CH2-CD 4.33Å; W556-K562 HydrophobicContact CH2-CG 4.04Å; W556-K562 HydrophobicContact CZ3-CB 4.37Å; W556-K562 HydrophobicContact CZ3-CD 4.34Å; W556-K562 HydrophobicContact CZ3-CG 3.72Å; W556-F564 HydrophobicContact CZ3-CE2 4.5Å
557	A	97.1	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-43.1	177.9	0	0	0	0	0	111.5	P553 M554 D561 K562 F564 F567 Y589	P553-A557 VanDerWaalsContact O-CB 3.31Å; P553-A557 WeakPolarHBondContact O-CB 3.46Å; P553-A557 PolarHBondContact O-N 3.29Å; P553-A557 VanDerWaalsContact O-N 3.09Å; M554-A557 PolarHBondContact O-N 3.46Å; A557-D561 PolarHBondContact O-N 3.09Å; A557-K562 HydrophobicContact CB-CB 4.33Å; A557-K562 PolarHBondContact O-N 3.19Å; A557-F564 HydrophobicContact CB-CD2 3.81Å; A557-F564 HydrophobicContact CB-CE2 3.91Å; A557-F567 HydrophobicContact CB-CE1 3.87Å; A557-F567 HydrophobicContact CB-CZ 3.87Å; A557-Y589 HydrophobicContact CB-CD2 3.97Å; A557-Y589 HydrophobicContact CB-CE2 3.72Å
558	A	96	Very high	95.5	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.041	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-47.7	174.9	0	0	0	0	0	111.1	M554 L555 W556 H560 D561 Y589 K592	M554-A558 VanDerWaalsContact O-CB 3.31Å; M554-A558 WeakPolarHBondContact O-CB 3.41Å; M554-A558 PolarHBondContact O-N 2.82Å; L555-A558 PolarHBondContact O-N 3.06Å; W556-A558 VanDerWaalsContact C-N 3.35Å; W556-A558 PolarHBondContact O-N 2.83Å; A558-H560 PolarHBondContact O-N 2.78Å; A558-D561 PolarHBondContact O-N 2.88Å; A558-Y589 HydrophobicContact CB-CD2 4.12Å; A558-K592 HydrophobicContact CB-CD 3.97Å; A558-K592 WeakPolarHBondContact O-CD 3.43Å; A558-K592 WeakPolarHBondContact O-CE 3.31Å; A558-K592 PolarHBondContact O-NZ 3.31Å
559	K	94.5	Very high	96.1	Very high	89 Å²	89	23.9 Å²	23.9	39%	0.387	11%	0.112	S	C	.	.	H	α-helix	trans	-62.9	-41.1	-179.3	-178.8	179.5	174.1	-179.3	0	113.3	K38 L39 L555 W556 D561	K38-K559 WeakPolarHBondContact O-CD 3.38Å; K38-K559 VanDerWaalsContact O-CE 3.32Å; K38-K559 WeakPolarHBondContact O-CE 3.29Å; K38-K559 PolarHBondContact O-NZ 2.85Å; L39-K559 HydrophobicContact CD2-CD 3.51Å; L555-K559 WeakPolarHBondContact O-CB 3.31Å; L555-K559 PolarHBondContact O-N 3.46Å; W556-K559 PolarHBondContact O-N 2.84Å; K559-D561 VanDerWaalsContact C-N 3.29Å; K559-D561 PolarHBondContact O-N 3.43Å
560	H	94.9	Very high	96.4	Very high	89 Å²	89	24 Å²	24	41%	0.412	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	11.6	-176.5	-61.9	90.6	0	0	0	113.4	W556 A558 K562	W556-H560 AromaticContact CD1-CE1 3.4Å; W556-H560 VanDerWaalsContact CD1-CE1 3.4Å; W556-H560 AromaticContact CD1-ND1 3.59Å; W556-H560 AromaticContact CD2-ND1 3.6Å; W556-H560 AromaticContact CE2-CE1 3.7Å; W556-H560 AromaticContact CE2-ND1 3.47Å; W556-H560 AromaticContact CG-CE1 3.95Å; W556-H560 AromaticContact CG-ND1 3.67Å; W556-H560 AromaticContact NE1-CE1 3.23Å; W556-H560 PolarHBondContact NE1-CE1 2.84Å; W556-H560 AromaticContact NE1-ND1 3.48Å; W556-H560 PolarHBondContact NE1-ND1 3.31Å; W556-H560 PolarHBondContact O-N 3.09Å; W556-H560 PolarHBondContact O-ND1 3.3Å; A558-H560 PolarHBondContact O-N 2.78Å; H560-K562 HydrophobicContact CB-CG 4Å; H560-K562 PolarHBondContact O-N 2.82Å
561	D	95.8	Very high	96.5	Very high	108 Å²	108	24 Å²	24	58%	0.578	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	29.2	-177.9	-60.7	-44.8	0	0	0	113.8	A557 A558 K559 K592	A557-D561 PolarHBondContact O-N 3.09Å; A558-D561 PolarHBondContact O-N 2.88Å; K559-D561 VanDerWaalsContact C-N 3.29Å; K559-D561 PolarHBondContact O-N 3.43Å; D561-K592 IonicContact OD1-NZ 2.7Å
562	K	97.4	Very high	96.2	Very high	70 Å²	70	24.1 Å²	24.1	30%	0.304	11%	0.113	S	C	.	.			trans	-75.1	137.1	176.8	-66.6	-86.3	-169.6	145.8	0	108.9	E523 W556 A557 H560 F564 Y589	E523-K562 IonicContact OE1-NZ 2.71Å; E523-K562 PolarHBondContact OE1-NZ 3.07Å; E523-K562 IonicContact OE2-NZ 3.41Å; E523-K562 PolarHBondContact OE2-NZ 3.26Å; W556-K562 HydrophobicContact CH2-CD 4.33Å; W556-K562 HydrophobicContact CH2-CG 4.04Å; W556-K562 HydrophobicContact CZ3-CB 4.37Å; W556-K562 HydrophobicContact CZ3-CD 4.34Å; W556-K562 HydrophobicContact CZ3-CG 3.72Å; A557-K562 HydrophobicContact CB-CB 4.33Å; A557-K562 PolarHBondContact O-N 3.19Å; H560-K562 HydrophobicContact CB-CG 4Å; H560-K562 PolarHBondContact O-N 2.82Å; K562-F564 HydrophobicContact CB-CD2 4.17Å; K562-F564 HydrophobicContact CB-CE2 3.53Å; K562-F564 HydrophobicContact CB-CZ 4.09Å; K562-F564 HydrophobicContact CG-CE2 4.39Å; K562-Y589 WeakPolarHBondContact O-CE2 3.46Å; K562-Y589 PolarHBondContact O-OH 3.15Å
563	K	97.9	Very high	95.8	Very high	85 Å²	85	24.1 Å²	24.1	37%	0.37	11%	0.113	S	C	.	.			trans	-109.4	107.5	-177.1	-56.2	-65.1	-174.2	-179.7	0	110.3	R472 S593 I595	R472-K563 WeakPolarHBondContact CB-O 3.36Å; R472-K563 VanDerWaalsContact CD-O 3.22Å; R472-K563 WeakPolarHBondContact CD-O 3.29Å; R472-K563 PolarHBondContact NE-O 3.06Å; K563-S593 PolarHBondContact NZ-O 3.49Å; K563-I595 HydrophobicContact CB-CD1 4.1Å; K563-I595 HydrophobicContact CD-CD1 4.23Å
564	F	98.3	Very high	95.1	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.044	11%	0.113	C	C	.	.			trans	-117.8	140.6	172.9	-57.6	-67.4	0	0	0	110.9	R472 F473 C474 W556 A557 K562 F567 Y589 I595	R472-F564 HydrophobicContact CB-CD1 4.31Å; R472-F564 CarbonylContact O-C 3.53Å; R472-F564 WeakPolarHBondContact O-CA 3.33Å; F473-F564 WeakPolarHBondContact O-CD1 3.29Å; F473-F564 VanDerWaalsContact O-CE1 3.27Å; F473-F564 WeakPolarHBondContact O-CE1 3.33Å; C474-F564 HydrophobicContact CB-CB 4.12Å; C474-F564 HydrophobicContact CB-CD1 3.82Å; C474-F564 HydrophobicContact CB-CD2 3.57Å; C474-F564 HydrophobicContact CB-CE1 4.05Å; C474-F564 HydrophobicContact CB-CE2 3.8Å; C474-F564 HydrophobicContact CB-CG 3.56Å; C474-F564 HydrophobicContact CB-CZ 4.03Å; W556-F564 HydrophobicContact CZ3-CE2 4.5Å; A557-F564 HydrophobicContact CB-CD2 3.81Å; A557-F564 HydrophobicContact CB-CE2 3.91Å; K562-F564 HydrophobicContact CB-CD2 4.17Å; K562-F564 HydrophobicContact CB-CE2 3.53Å; K562-F564 HydrophobicContact CB-CZ 4.09Å; K562-F564 HydrophobicContact CG-CE2 4.39Å; F564-F567 HydrophobicContact CB-CE2 4.28Å; F564-F567 HydrophobicContact CB-CZ 4.19Å; F564-F567 HydrophobicContact CD2-CE1 4.19Å; F564-F567 HydrophobicContact CD2-CZ 4.17Å; F564-Y589 WeakPolarHBondContact CA-OH 3.22Å; F564-Y589 PolarHBondContact N-OH 2.69Å; F564-Y589 PolarHBondContact O-OH 3.49Å; F564-I595 VanDerWaalsContact O-CD1 3.31Å; F564-I595 WeakPolarHBondContact O-CD1 3.42Å
565	D	98.3	Very high	94.4	Very high	24 Å²	24	24.2 Å²	24.2	13%	0.128	11%	0.113	C	C	.	.	S	Bend	trans	-90.7	-25.5	172.7	-51.2	-62.3	0	0	0	110.7	K471 R472 A598 K599	K471-D565 HydrophobicContact CB-CB 4.07Å; K471-D565 HydrophobicContact CD-CB 4.04Å; K471-D565 HydrophobicContact CG-CB 4.44Å; R472-D565 WeakPolarHBondContact CB-OD2 3.34Å; R472-D565 IonicContact CZ-OD1 3.53Å; R472-D565 IonicContact CZ-OD2 3.82Å; R472-D565 PolarHBondContact N-OD2 3.27Å; R472-D565 IonicContact NE-OD1 3.49Å; R472-D565 PolarHBondContact NE-OD1 2.84Å; R472-D565 IonicContact NE-OD2 3.01Å; R472-D565 PolarHBondContact NE-OD2 2.86Å; R472-D565 IonicContact NH2-OD1 2.73Å; R472-D565 PolarHBondContact NH2-OD1 3.48Å; R472-D565 IonicContact NH2-OD2 3.75Å; R472-D565 PolarHBondContact O-N 3.23Å; D565-A598 WeakPolarHBondContact O-CA 3.08Å; D565-K599 PolarHBondContact O-N 3.19Å
566	V	98.3	Very high	93.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129.3	-175.5	-170	0	0	0	0	110.3	K471 R472 F473 C474 V568 K599 I601 I638	K471-V566 HydrophobicContact CB-CG2 4.44Å; R472-V566 PolarHBondContact O-N 2.97Å; F473-V566 WeakPolarHBondContact CA-O 3.43Å; F473-V566 HydrophobicContact CD1-CB 4.15Å; F473-V566 HydrophobicContact CD1-CG1 4.3Å; F473-V566 HydrophobicContact CE1-CB 4.26Å; F473-V566 HydrophobicContact CE1-CG1 4.25Å; F473-V566 HydrophobicContact CE1-CG2 4.5Å; C474-V566 PolarHBondContact N-O 2.85Å; V566-V568 HydrophobicContact CG1-CG2 3.97Å; V566-K599 CarbonylContact C-O 3.57Å; V566-K599 WeakPolarHBondContact CA-O 3.42Å; V566-K599 HydrophobicContact CG1-CB 4.48Å; V566-I601 HydrophobicContact CG1-CD1 3.92Å; V566-I601 HydrophobicContact CG1-CG1 4.22Å; V566-I638 HydrophobicContact CG1-CD1 4.02Å; V566-I638 HydrophobicContact CG1-CG1 4.06Å; V566-I638 HydrophobicContact CG2-CB 4.39Å; V566-I638 HydrophobicContact CG2-CD1 4.07Å; V566-I638 HydrophobicContact CG2-CG1 3.79Å; V566-I638 HydrophobicContact CG2-CG2 3.77Å
567	F	98.5	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.2	164.7	-66.2	-94.2	0	0	0	109	C474 P553 M554 A557 F564 L586 Y589 K599 L600 I601	C474-F567 HydrophobicContact CB-CD1 3.52Å; C474-F567 HydrophobicContact CB-CE1 3.73Å; C474-F567 HydrophobicContact CB-CG 4.26Å; C474-F567 CarbonylContact O-C 3.52Å; C474-F567 WeakPolarHBondContact O-CA 3.48Å; P553-F567 HydrophobicContact CB-CD1 4.35Å; M554-F567 HydrophobicContact CB-CE1 4.44Å; M554-F567 HydrophobicContact CG-CD1 3.94Å; M554-F567 HydrophobicContact CG-CD2 4.19Å; M554-F567 HydrophobicContact CG-CE1 3.94Å; M554-F567 HydrophobicContact CG-CE2 4.19Å; M554-F567 HydrophobicContact CG-CG 4.07Å; M554-F567 HydrophobicContact CG-CZ 4.07Å; M554-F567 HydrophobicContact SD-CB 4.44Å; M554-F567 HydrophobicContact SD-CD1 3.98Å; M554-F567 HydrophobicContact SD-CE1 4.48Å; M554-F567 HydrophobicContact SD-CG 4.16Å; A557-F567 HydrophobicContact CB-CE1 3.87Å; A557-F567 HydrophobicContact CB-CZ 3.87Å; F564-F567 HydrophobicContact CB-CE2 4.28Å; F564-F567 HydrophobicContact CB-CZ 4.19Å; F564-F567 HydrophobicContact CD2-CE1 4.19Å; F564-F567 HydrophobicContact CD2-CZ 4.17Å; F567-L586 HydrophobicContact CD2-CD1 3.84Å; F567-L586 HydrophobicContact CE2-CD1 4.08Å; F567-Y589 AromaticContact CE2-CD1 3.55Å; F567-Y589 HydrophobicContact CE2-CD1 3.55Å; F567-Y589 HydrophobicContact CE2-CD2 4.34Å; F567-Y589 AromaticContact CE2-CE1 3.47Å; F567-Y589 HydrophobicContact CE2-CE1 3.47Å; F567-Y589 VanDerWaalsContact CE2-CE1 3.47Å; F567-Y589 HydrophobicContact CE2-CE2 4.28Å; F567-Y589 HydrophobicContact CE2-CG 4.01Å; F567-Y589 AromaticContact CE2-CZ 3.85Å; F567-Y589 AromaticContact CZ-CD1 3.92Å; F567-Y589 HydrophobicContact CZ-CD1 3.92Å; F567-Y589 AromaticContact CZ-CD2 3.84Å; F567-Y589 HydrophobicContact CZ-CD2 3.84Å; F567-Y589 AromaticContact CZ-CE1 3.83Å; F567-Y589 HydrophobicContact CZ-CE1 3.83Å; F567-Y589 AromaticContact CZ-CE2 3.76Å; F567-Y589 HydrophobicContact CZ-CE2 3.76Å; F567-Y589 AromaticContact CZ-CG 3.93Å; F567-Y589 HydrophobicContact CZ-CG 3.93Å; F567-Y589 AromaticContact CZ-CZ 3.75Å; F567-K599 PolarHBondContact N-O 2.95Å; F567-L600 HydrophobicContact CB-CD1 3.94Å; F567-L600 CarbonylContact O-C 3.59Å; F567-L600 WeakPolarHBondContact O-CA 3.44Å; F567-I601 PolarHBondContact O-N 3.05Å
568	V	97.9	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.5	174.3	-173.8	0	0	0	0	108.5	F473 C474 I475 G476 V566 Y570 I601 V603 M634	F473-V568 HydrophobicContact CD1-CG2 4.08Å; C474-V568 PolarHBondContact O-N 2.75Å; I475-V568 CarbonylContact C-O 3.56Å; I475-V568 WeakPolarHBondContact CA-O 3.31Å; I475-V568 HydrophobicContact CD1-CB 3.73Å; I475-V568 HydrophobicContact CD1-CG2 3.82Å; G476-V568 PolarHBondContact N-O 3.42Å; V566-V568 HydrophobicContact CG1-CG2 3.97Å; V568-Y570 HydrophobicContact CG1-CD2 4.46Å; V568-Y570 HydrophobicContact CG1-CE2 3.9Å; V568-I601 CarbonylContact C-O 3.53Å; V568-I601 WeakPolarHBondContact CA-O 3.49Å; V568-I601 HydrophobicContact CG2-CB 4.39Å; V568-I601 HydrophobicContact CG2-CD1 4.47Å; V568-V603 HydrophobicContact CG1-CG2 3.62Å; V568-M634 HydrophobicContact CG1-CE 3.82Å
569	I	97.5	Very high	91.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.8	-173.1	-54.6	-53.2	0	0	0	110	G476 F517 P553 T571 L600 I601 V603 I612	G476-I569 WeakPolarHBondContact O-CA 3.23Å; F517-I569 HydrophobicContact CE1-CG2 4.09Å; F517-I569 HydrophobicContact CZ-CG2 3.77Å; P553-I569 HydrophobicContact CB-CD1 3.84Å; P553-I569 HydrophobicContact CG-CD1 3.7Å; I569-T571 HydrophobicContact CG2-CG2 4.04Å; I569-L600 HydrophobicContact CB-CD1 4.44Å; I569-L600 HydrophobicContact CG1-CD1 3.57Å; I569-I601 PolarHBondContact N-O 3.39Å; I569-V603 PolarHBondContact O-N 3.41Å; I569-I612 HydrophobicContact CG2-CD1 4.29Å
570	Y	96.4	Very high	91.6	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.7	172.5	-68.5	-98.5	0	0	0	109.4	I475 G476 D478 M501 H505 V568 V603 M605	I475-Y570 HydrophobicContact CG2-CD2 4.14Å; I475-Y570 HydrophobicContact CG2-CE2 3.8Å; G476-Y570 PolarHBondContact O-N 2.62Å; D478-Y570 WeakPolarHBondContact CB-O 3.46Å; D478-Y570 PolarHBondContact N-O 3.41Å; M501-Y570 HydrophobicContact CB-CD1 4.32Å; M501-Y570 HydrophobicContact CB-CE1 3.51Å; M501-Y570 HydrophobicContact CE-CE1 3.99Å; M501-Y570 HydrophobicContact CG-CE1 4.46Å; M501-Y570 PolarHBondContact O-OH 2.93Å; M501-Y570 HydrophobicContact SD-CE1 4.19Å; H505-Y570 PolarHBondContact CD2-OH 2.82Å; H505-Y570 AromaticContact NE2-CZ 3.97Å; H505-Y570 PolarHBondContact NE2-OH 2.98Å; V568-Y570 HydrophobicContact CG1-CD2 4.46Å; V568-Y570 HydrophobicContact CG1-CE2 3.9Å; Y570-V603 HydrophobicContact CD1-CB 3.68Å; Y570-V603 HydrophobicContact CD1-CG1 3.64Å; Y570-V603 HydrophobicContact CD1-CG2 4.18Å; Y570-V603 HydrophobicContact CE1-CB 3.88Å; Y570-V603 HydrophobicContact CE1-CG1 3.6Å; Y570-V603 HydrophobicContact CE1-CG2 3.99Å; Y570-V603 HydrophobicContact CE2-CG2 4.33Å; Y570-V603 HydrophobicContact CG-CB 4.09Å; Y570-V603 HydrophobicContact CG-CG2 4.44Å; Y570-M605 HydrophobicContact CD1-SD 3.9Å
571	T	94.3	Very high	91.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	167.5	-175.6	-179.8	0	0	0	0	111.1	D478 I569 N573 V602 V603 M605 I612	D478-T571 WeakPolarHBondContact OD2-CB 3.49Å; D478-T571 PolarHBondContact OD2-OG1 3.27Å; I569-T571 HydrophobicContact CG2-CG2 4.04Å; T571-N573 VanDerWaalsContact C-N 3.33Å; T571-N573 PolarHBondContact OG1-N 3.43Å; T571-N573 VanDerWaalsContact OG1-N 3.09Å; T571-V602 HydrophobicContact CG2-CG1 4.17Å; T571-V603 PolarHBondContact N-O 3.36Å; T571-M605 PolarHBondContact O-N 2.99Å; T571-I612 HydrophobicContact CG2-CD1 4.46Å
572	D	88.1	Confident	91.5	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	9%	0.092	C	C	.	.			trans	-86.6	-3.2	166.5	62.5	1.9	0	0	0	113.3	S482 M483 E574 T606 T608	S482-D572 WeakPolarHBondContact CB-OD2 3.36Å; S482-D572 PolarHBondContact OG-OD2 3.29Å; M483-D572 HydrophobicContact SD-CB 3.97Å; M483-D572 PolarHBondContact SD-N 2.66Å; D572-E574 HydrophobicContact CB-CG 4.46Å; D572-E574 WeakPolarHBondContact OD1-CB 3.06Å; D572-E574 PolarHBondContact OD1-N 2.76Å; D572-T606 HydrophobicContact CB-CG2 3.59Å; D572-T606 PolarHBondContact O-OG1 3.27Å; D572-T608 PolarHBondContact O-OG1 3.12Å
573	N	85.2	Confident	91.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	75	17.5	-178	-47.6	-72.4	0	0	0	115.3	N61 R78 T571 T575 V602 F610	N61-N573 PolarHBondContact ND2-O 3.27Å; R78-N573 PolarHBondContact NH1-ND2 2.83Å; R78-N573 PolarHBondContact NH2-ND2 3.1Å; T571-N573 VanDerWaalsContact C-N 3.33Å; T571-N573 PolarHBondContact OG1-N 3.43Å; T571-N573 VanDerWaalsContact OG1-N 3.09Å; N573-T575 VanDerWaalsContact C-N 3.35Å; N573-T575 PolarHBondContact O-N 3.39Å; N573-V602 WeakPolarHBondContact OD1-CG1 3.11Å; N573-F610 HydrophobicContact CB-CB 4.07Å; N573-F610 WeakPolarHBondContact CB-O 3.19Å; N573-F610 VanDerWaalsContact CG-O 3.27Å; N573-F610 PolarHBondContact ND2-O 3.12Å
574	E	82.7	Confident	91.2	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	7%	0.069	C	C	.	.			trans	-97.4	50.4	-175.7	-60	-73.3	173.2	0	0	112	N61 Y62 G63 Y90 D572 F610	N61-E574 WeakPolarHBondContact CB-OE2 3.48Å; Y62-E574 WeakPolarHBondContact CA-OE2 3.43Å; Y62-E574 VanDerWaalsContact CD2-OE1 3.27Å; Y62-E574 WeakPolarHBondContact CD2-OE1 3.46Å; Y62-E574 PolarHBondContact N-OE2 3.25Å; G63-E574 PolarHBondContact N-OE2 3.21Å; Y90-E574 HydrophobicContact CD2-CB 4.01Å; Y90-E574 HydrophobicContact CD2-CG 3.58Å; Y90-E574 HydrophobicContact CE2-CB 3.33Å; Y90-E574 HydrophobicContact CE2-CG 3.45Å; Y90-E574 VanDerWaalsContact CE2-CG 3.45Å; D572-E574 HydrophobicContact CB-CG 4.46Å; D572-E574 WeakPolarHBondContact OD1-CB 3.06Å; D572-E574 PolarHBondContact OD1-N 2.76Å; E574-F610 WeakPolarHBondContact OE1-CD2 3.27Å
575	T	82.4	Confident	91.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	7%	0.067	C	C	.	.			trans	-75.1	136.6	176	-159.2	0	0	0	0	110.7	Q50 N61 G65 V67 T548 C550 N573 P582 I612	Q50-T575 PolarHBondContact OE1-OG1 3.01Å; N61-T575 PolarHBondContact ND2-N 2.96Å; N61-T575 PolarHBondContact ND2-O 3.26Å; G65-T575 WeakPolarHBondContact CA-O 3.48Å; V67-T575 HydrophobicContact CG1-CG2 3.81Å; T548-T575 PolarHBondContact O-OG1 2.76Å; C550-T575 PolarHBondContact N-OG1 2.95Å; N573-T575 VanDerWaalsContact C-N 3.35Å; N573-T575 PolarHBondContact O-N 3.39Å; T575-P582 HydrophobicContact CG2-CG 4.24Å; T575-I612 HydrophobicContact CG2-CG2 3.76Å
576	W	82.7	Confident	91.1	Very high	97 Å²	97	14.2 Å²	14.2	37%	0.367	6%	0.06	S	C	.	.			trans	-151.4	-25.7	-178.8	69	-90.1	0	0	0	114.7	G63 A547 T548	G63-W576 WeakPolarHBondContact O-CB 2.89Å; A547-W576 HydrophobicContact CB-CH2 4.45Å; A547-W576 HydrophobicContact CB-CZ2 3.67Å; T548-W576 PolarHBondContact O-N 3.43Å
577	Y	78.9	Confident	90.9	Very high	70 Å²	70	17.9 Å²	17.9	28%	0.275	8%	0.077	S	C	.	.	S	Bend	trans	-82.5	-30.6	-166.9	-173.5	-100.6	0	0	0	113.5	D34 I36 A547 T548	D34-Y577 VanDerWaalsContact OD2-CE1 3.24Å; D34-Y577 WeakPolarHBondContact OD2-CE1 3.24Å; D34-Y577 VanDerWaalsContact OD2-CZ 3.25Å; D34-Y577 PolarHBondContact OD2-OH 3.23Å; I36-Y577 HydrophobicContact CD1-CD1 3.53Å; I36-Y577 HydrophobicContact CD1-CE1 3.54Å; A547-Y577 HydrophobicContact CB-CD1 4.38Å; A547-Y577 HydrophobicContact CB-CD2 3.79Å; A547-Y577 HydrophobicContact CB-CG 3.69Å; T548-Y577 PolarHBondContact O-N 2.96Å
578	G	79.7	Confident	90.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	8%	0.082	C	C	.	.			trans	-68.6	148.5	-167.9	0	0	0	0	0	114.6	Q50 D549 V580	Q50-G578 VanDerWaalsContact CB-O 3.24Å; Q50-G578 WeakPolarHBondContact CB-O 3.07Å; Q50-G578 VanDerWaalsContact CG-O 3.25Å; Q50-G578 WeakPolarHBondContact CG-O 3.48Å; Q50-G578 PolarHBondContact N-O 3.33Å; D549-G578 VanDerWaalsContact CG-CA 3.48Å; D549-G578 VanDerWaalsContact OD2-CA 3.27Å; D549-G578 WeakPolarHBondContact OD2-CA 3.44Å; G578-V580 VanDerWaalsContact C-N 3.26Å; G578-V580 PolarHBondContact O-N 2.75Å
579	F	87.5	Confident	90.8	Very high	84 Å²	84	18.9 Å²	18.9	37%	0.368	8%	0.082	S	C	.	.	S	Bend	trans	-79.1	-8.8	174.4	-60.5	-87.6	0	0	0	113.4	L37 I40 P49	L37-F579 HydrophobicContact CD2-CD2 4.09Å; L37-F579 HydrophobicContact CD2-CE2 3.78Å; L37-F579 HydrophobicContact CD2-CZ 4.1Å; L37-F579 HydrophobicContact CG-CE2 4.44Å; I40-F579 HydrophobicContact CD1-CB 3.62Å; I40-F579 HydrophobicContact CD1-CD2 3.54Å; I40-F579 HydrophobicContact CD1-CG 3.89Å; P49-F579 WeakPolarHBondContact CA-O 3.22Å
580	V	91.5	Very high	90.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-130.8	130	-179	-176.7	0	0	0	0	108.6	I40 L44 Q50 A551 L555 G578 V584 A585	I40-V580 HydrophobicContact CG1-CG2 4.37Å; I40-V580 HydrophobicContact CG2-CG2 4.24Å; L44-V580 HydrophobicContact CB-CG2 3.94Å; L44-V580 HydrophobicContact CD1-CG1 4.09Å; L44-V580 HydrophobicContact CD1-CG2 4.2Å; Q50-V580 PolarHBondContact NE2-O 3.48Å; A551-V580 WeakPolarHBondContact CB-O 3.46Å; L555-V580 HydrophobicContact CD1-CB 4.29Å; L555-V580 HydrophobicContact CD1-CG2 4.39Å; G578-V580 VanDerWaalsContact C-N 3.26Å; G578-V580 PolarHBondContact O-N 2.75Å; V580-V584 HydrophobicContact CG1-CB 3.95Å; V580-V584 HydrophobicContact CG1-CG1 3.87Å; V580-A585 HydrophobicContact CG1-CB 4.04Å
581	H	93.6	Very high	90.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.121	C	C	.	.			trans	-64.1	143.2	173.5	-78	-93.2	0	0	0	111.8	V48 P49 A52 A54 Q58 Y66 F583 V584 A585	V48-H581 PolarHBondContact O-CD2 3.23Å; V48-H581 VanDerWaalsContact O-CD2 3.23Å; P49-H581 PolarHBondContact O-NE2 2.99Å; A52-H581 PolarHBondContact O-CE1 2.6Å; A52-H581 PolarHBondContact O-NE2 3.34Å; A54-H581 VanDerWaalsContact CB-CD2 3.48Å; A54-H581 WeakPolarHBondContact CB-CD2 3.42Å; Q58-H581 PolarHBondContact NE2-CE1 2.91Å; Q58-H581 VanDerWaalsContact NE2-CE1 3.28Å; Q58-H581 PolarHBondContact NE2-ND1 3.02Å; Y66-H581 PolarHBondContact O-CE1 3.05Å; Y66-H581 VanDerWaalsContact O-CE1 3.24Å; Y66-H581 PolarHBondContact O-ND1 3.26Å; H581-F583 VanDerWaalsContact C-N 3.28Å; H581-F583 HydrophobicContact CB-CD1 3.58Å; H581-F583 HydrophobicContact CB-CE1 3.43Å; H581-F583 VanDerWaalsContact CB-CE1 3.43Å; H581-F583 HydrophobicContact CB-CZ 4.3Å; H581-F583 AromaticContact CG-CE1 3.73Å; H581-F583 PolarHBondContact O-N 2.93Å; H581-V584 HydrophobicContact CB-CB 4.32Å; H581-V584 HydrophobicContact CB-CG2 3.96Å; H581-V584 WeakPolarHBondContact O-CA 3.27Å; H581-V584 WeakPolarHBondContact O-CB 3.48Å; H581-V584 PolarHBondContact O-N 2.94Å; H581-A585 PolarHBondContact O-N 3.28Å
582	P	94.1	Very high	90.9	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-55.1	-39.1	179.5	-28.4	35.7	0	0	0	114.2	C550 A551 M554 T575 V584 A585 L586 I612	C550-P582 HydrophobicContact CB-CB 4.5Å; C550-P582 HydrophobicContact CB-CG 3.84Å; A551-P582 HydrophobicContact CB-CG 4.43Å; M554-P582 HydrophobicContact CE-CB 3.97Å; M554-P582 WeakPolarHBondContact CE-O 3.49Å; T575-P582 HydrophobicContact CG2-CG 4.24Å; P582-V584 VanDerWaalsContact C-N 3.34Å; P582-V584 PolarHBondContact O-N 3.3Å; P582-A585 PolarHBondContact O-N 3.21Å; P582-L586 PolarHBondContact O-N 3.22Å; P582-I612 HydrophobicContact CB-CB 4.19Å; P582-I612 HydrophobicContact CB-CD1 4.35Å; P582-I612 HydrophobicContact CG-CB 4.12Å; P582-I612 HydrophobicContact CG-CG2 4.25Å
583	F	94.3	Very high	91.3	Very high	17 Å²	17	32.4 Å²	32.4	8%	0.075	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-36.6	177.2	79.5	-92.8	0	0	0	112.2	A54 F68 H581 L586 Q587 D614 M620	A54-F583 HydrophobicContact CB-CE1 4.21Å; A54-F583 HydrophobicContact CB-CZ 3.97Å; F68-F583 AromaticContact CE2-CD1 3.96Å; F68-F583 HydrophobicContact CE2-CD1 3.96Å; F68-F583 HydrophobicContact CE2-CE1 4.45Å; F68-F583 HydrophobicContact CE2-CG 4.4Å; F68-F583 HydrophobicContact CZ-CD1 4.29Å; F68-F583 HydrophobicContact CZ-CE1 4.4Å; H581-F583 VanDerWaalsContact C-N 3.28Å; H581-F583 HydrophobicContact CB-CD1 3.58Å; H581-F583 HydrophobicContact CB-CE1 3.43Å; H581-F583 VanDerWaalsContact CB-CE1 3.43Å; H581-F583 HydrophobicContact CB-CZ 4.3Å; H581-F583 AromaticContact CG-CE1 3.73Å; H581-F583 PolarHBondContact O-N 2.93Å; F583-L586 PolarHBondContact O-N 2.87Å; F583-Q587 WeakPolarHBondContact O-CG 3.46Å; F583-Q587 PolarHBondContact O-N 3.38Å; F583-Q587 VanDerWaalsContact O-N 3.07Å; F583-D614 HydrophobicContact CB-CB 4.35Å; F583-M620 HydrophobicContact CB-CE 3.75Å; F583-M620 HydrophobicContact CB-SD 4.31Å
584	V	95.3	Very high	91.9	Very high	17 Å²	17	35.1 Å²	35.1	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	-69.4	-41.6	174.8	178.1	0	0	0	0	110.6	L44 I47 V580 H581 P582 L586 Q587 H588	L44-V584 HydrophobicContact CD2-CG1 4.5Å; I47-V584 HydrophobicContact CD1-CG1 3.64Å; I47-V584 HydrophobicContact CG2-CG1 4.23Å; V580-V584 HydrophobicContact CG1-CB 3.95Å; V580-V584 HydrophobicContact CG1-CG1 3.87Å; H581-V584 HydrophobicContact CB-CB 4.32Å; H581-V584 HydrophobicContact CB-CG2 3.96Å; H581-V584 WeakPolarHBondContact O-CA 3.27Å; H581-V584 WeakPolarHBondContact O-CB 3.48Å; H581-V584 PolarHBondContact O-N 2.94Å; P582-V584 VanDerWaalsContact C-N 3.34Å; P582-V584 PolarHBondContact O-N 3.3Å; V584-L586 VanDerWaalsContact C-N 3.3Å; V584-L586 PolarHBondContact O-N 3.39Å; V584-Q587 PolarHBondContact O-N 2.97Å; V584-H588 PolarHBondContact O-N 3.42Å
585	A	96	Very high	92.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-38.3	176.3	0	0	0	0	0	112	A551 M554 L555 V580 H581 P582 Y589	A551-A585 HydrophobicContact CB-CB 3.77Å; M554-A585 HydrophobicContact CB-CB 3.96Å; M554-A585 HydrophobicContact CE-CB 4.31Å; L555-A585 HydrophobicContact CD2-CB 3.98Å; L555-A585 HydrophobicContact CG-CB 3.97Å; V580-A585 HydrophobicContact CG1-CB 4.04Å; H581-A585 PolarHBondContact O-N 3.28Å; P582-A585 PolarHBondContact O-N 3.21Å; A585-Y589 WeakPolarHBondContact O-CB 3.19Å; A585-Y589 PolarHBondContact O-N 3.31Å
586	L	97.2	Very high	93.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-43	173.4	-172.5	66.2	0	0	0	112.1	M554 F567 P582 F583 V584 H588 Y589 R590 L600 M620	M554-L586 HydrophobicContact CG-CB 4.31Å; M554-L586 HydrophobicContact CG-CD1 4Å; F567-L586 HydrophobicContact CD2-CD1 3.84Å; F567-L586 HydrophobicContact CE2-CD1 4.08Å; P582-L586 PolarHBondContact O-N 3.22Å; F583-L586 PolarHBondContact O-N 2.87Å; V584-L586 VanDerWaalsContact C-N 3.3Å; V584-L586 PolarHBondContact O-N 3.39Å; L586-H588 PolarHBondContact O-N 2.8Å; L586-Y589 PolarHBondContact O-N 2.77Å; L586-R590 WeakPolarHBondContact O-CG 3.36Å; L586-R590 PolarHBondContact O-N 2.7Å; L586-L600 HydrophobicContact CD2-CB 3.55Å; L586-L600 HydrophobicContact CD2-CD2 4.43Å; L586-M620 HydrophobicContact CB-CE 4.2Å; L586-M620 HydrophobicContact CD2-CE 3.41Å; L586-M620 VanDerWaalsContact CD2-CE 3.41Å; L586-M620 HydrophobicContact CD2-CG 4.04Å; L586-M620 HydrophobicContact CD2-SD 4.31Å; L586-M620 HydrophobicContact CG-CE 4.36Å
587	Q	95.7	Very high	93.9	Very high	78 Å²	78	42.6 Å²	42.6	36%	0.364	21%	0.214	S	C	.	.	H	α-helix	trans	-59.8	-45.3	175.3	-72.6	171.9	0	0	0	111.7	F583 V584 R590 Q591	F583-Q587 WeakPolarHBondContact O-CG 3.46Å; F583-Q587 PolarHBondContact O-N 3.38Å; F583-Q587 VanDerWaalsContact O-N 3.07Å; V584-Q587 PolarHBondContact O-N 2.97Å; Q587-R590 PolarHBondContact O-N 2.87Å; Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 2.94Å; Q587-Q591 VanDerWaalsContact O-N 3.13Å
588	H	95.9	Very high	94.8	Very high	20 Å²	20	39.2 Å²	39.2	9%	0.093	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-45.3	174.2	176.3	79.7	0	0	0	111.5	L44 V584 L586 R590 Q591 K592	L44-H588 HydrophobicContact CD1-CB 3.89Å; L44-H588 HydrophobicContact CD2-CB 4.17Å; V584-H588 PolarHBondContact O-N 3.42Å; L586-H588 PolarHBondContact O-N 2.8Å; H588-R590 VanDerWaalsContact C-N 3.35Å; H588-R590 PolarHBondContact O-N 2.83Å; H588-Q591 PolarHBondContact O-N 3.26Å; H588-K592 WeakPolarHBondContact O-CB 3.46Å; H588-K592 PolarHBondContact O-N 3.27Å
589	Y	98	Very high	95.7	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-44	177.1	172.6	-89.3	0	0	0	111.9	A557 A558 K562 F564 F567 A585 L586 Q591 K592 S593 A598	A557-Y589 HydrophobicContact CB-CD2 3.97Å; A557-Y589 HydrophobicContact CB-CE2 3.72Å; A558-Y589 HydrophobicContact CB-CD2 4.12Å; K562-Y589 WeakPolarHBondContact O-CE2 3.46Å; K562-Y589 PolarHBondContact O-OH 3.15Å; F564-Y589 WeakPolarHBondContact CA-OH 3.22Å; F564-Y589 PolarHBondContact N-OH 2.69Å; F564-Y589 PolarHBondContact O-OH 3.49Å; F567-Y589 AromaticContact CE2-CD1 3.55Å; F567-Y589 HydrophobicContact CE2-CD1 3.55Å; F567-Y589 HydrophobicContact CE2-CD2 4.34Å; F567-Y589 AromaticContact CE2-CE1 3.47Å; F567-Y589 HydrophobicContact CE2-CE1 3.47Å; F567-Y589 VanDerWaalsContact CE2-CE1 3.47Å; F567-Y589 HydrophobicContact CE2-CE2 4.28Å; F567-Y589 HydrophobicContact CE2-CG 4.01Å; F567-Y589 AromaticContact CE2-CZ 3.85Å; F567-Y589 AromaticContact CZ-CD1 3.92Å; F567-Y589 HydrophobicContact CZ-CD1 3.92Å; F567-Y589 AromaticContact CZ-CD2 3.84Å; F567-Y589 HydrophobicContact CZ-CD2 3.84Å; F567-Y589 AromaticContact CZ-CE1 3.83Å; F567-Y589 HydrophobicContact CZ-CE1 3.83Å; F567-Y589 AromaticContact CZ-CE2 3.76Å; F567-Y589 HydrophobicContact CZ-CE2 3.76Å; F567-Y589 AromaticContact CZ-CG 3.93Å; F567-Y589 HydrophobicContact CZ-CG 3.93Å; F567-Y589 AromaticContact CZ-CZ 3.75Å; A585-Y589 WeakPolarHBondContact O-CB 3.19Å; A585-Y589 PolarHBondContact O-N 3.31Å; L586-Y589 PolarHBondContact O-N 2.77Å; Y589-Q591 PolarHBondContact O-N 3.42Å; Y589-K592 PolarHBondContact O-N 2.98Å; Y589-S593 WeakPolarHBondContact CE1-OG 3.48Å; Y589-S593 WeakPolarHBondContact O-CB 3.25Å; Y589-S593 PolarHBondContact O-N 3.47Å; Y589-S593 PolarHBondContact O-OG 3.42Å; Y589-A598 HydrophobicContact CD1-CB 3.98Å; Y589-A598 HydrophobicContact CE1-CB 3.71Å
590	R	98.1	Very high	96.2	Very high	26 Å²	26	36 Å²	36	10%	0.098	19%	0.186	C	C	.	.	H	α-helix	trans	-57.2	-48.1	175.9	-72.6	171	-179.9	158.7	5.4	111.4	L586 Q587 H588 S593 G594 I595 E596 A598 D617	L586-R590 WeakPolarHBondContact O-CG 3.36Å; L586-R590 PolarHBondContact O-N 2.7Å; Q587-R590 PolarHBondContact O-N 2.87Å; H588-R590 VanDerWaalsContact C-N 3.35Å; H588-R590 PolarHBondContact O-N 2.83Å; R590-S593 PolarHBondContact O-OG 3Å; R590-G594 PolarHBondContact O-N 3.35Å; R590-I595 WeakPolarHBondContact CG-O 3.32Å; R590-I595 PolarHBondContact O-N 3.47Å; R590-E596 WeakPolarHBondContact CD-O 3.31Å; R590-A598 HydrophobicContact CG-CB 3.9Å; R590-A598 VanDerWaalsContact CZ-O 3.31Å; R590-A598 PolarHBondContact NE-O 3.38Å; R590-A598 PolarHBondContact NH2-O 3.03Å; R590-D617 IonicContact CZ-OD1 3.79Å; R590-D617 IonicContact CZ-OD2 3.33Å; R590-D617 IonicContact NH1-OD1 2.87Å; R590-D617 IonicContact NH1-OD2 3.91Å; R590-D617 PolarHBondContact NH1-OD2 2.89Å; R590-D617 IonicContact NH2-OD1 4Å; R590-D617 PolarHBondContact NH2-OD1 3.5Å; R590-D617 IonicContact NH2-OD2 3.59Å; R590-D617 PolarHBondContact NH2-OD2 3.21Å
591	Q	96.2	Very high	96.5	Very high	158 Å²	158	36 Å²	36	74%	0.738	19%	0.186	S	C	*	.	H	α-helix	trans	-62.1	-50.3	178.2	-68.3	172.5	6.2	0	0	112.1	Q587 H588 Y589	Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 2.94Å; Q587-Q591 VanDerWaalsContact O-N 3.13Å; H588-Q591 PolarHBondContact O-N 3.26Å; Y589-Q591 PolarHBondContact O-N 3.42Å
592	K	95.8	Very high	96.7	Very high	91 Å²	91	36 Å²	36	40%	0.396	19%	0.186	S	C	.	.	H	α-helix	trans	-69.7	-38.4	-177.2	-172	177.8	-177.6	-175.4	0	112.5	A558 D561 H588 Y589	A558-K592 HydrophobicContact CB-CD 3.97Å; A558-K592 WeakPolarHBondContact O-CD 3.43Å; A558-K592 WeakPolarHBondContact O-CE 3.31Å; A558-K592 PolarHBondContact O-NZ 3.31Å; D561-K592 IonicContact OD1-NZ 2.7Å; H588-K592 WeakPolarHBondContact O-CB 3.46Å; H588-K592 PolarHBondContact O-N 3.27Å; Y589-K592 PolarHBondContact O-N 2.98Å
593	S	96.9	Very high	96.8	Very high	14 Å²	14	35.8 Å²	35.8	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-80	-23.9	-177.4	69.6	0	0	0	0	113.1	K563 Y589 R590 I595	K563-S593 PolarHBondContact NZ-O 3.49Å; Y589-S593 WeakPolarHBondContact CE1-OG 3.48Å; Y589-S593 WeakPolarHBondContact O-CB 3.25Å; Y589-S593 PolarHBondContact O-N 3.47Å; Y589-S593 PolarHBondContact O-OG 3.42Å; R590-S593 PolarHBondContact O-OG 3Å; S593-I595 PolarHBondContact OG-N 2.98Å
594	G	97.2	Very high	96.7	Very high	58 Å²	58	35 Å²	35	60%	0.598	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	11	-170.6	0	0	0	0	0	113.8	R590	R590-G594 PolarHBondContact O-N 3.35Å
595	I	97.7	Very high	96.6	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.082	18%	0.177	C	C	.	.			trans	-100.4	82.7	177.6	-53.8	167.6	0	0	0	107	K563 F564 R590 S593 D597 A598	K563-I595 HydrophobicContact CB-CD1 4.1Å; K563-I595 HydrophobicContact CD-CD1 4.23Å; F564-I595 VanDerWaalsContact O-CD1 3.31Å; F564-I595 WeakPolarHBondContact O-CD1 3.42Å; R590-I595 WeakPolarHBondContact CG-O 3.32Å; R590-I595 PolarHBondContact O-N 3.47Å; S593-I595 PolarHBondContact OG-N 2.98Å; I595-D597 WeakPolarHBondContact CG2-OD1 3.33Å; I595-D597 PolarHBondContact O-N 3.21Å; I595-A598 HydrophobicContact CB-CB 4.27Å; I595-A598 HydrophobicContact CG2-CB 3.91Å; I595-A598 WeakPolarHBondContact O-CB 3.34Å; I595-A598 PolarHBondContact O-N 2.73Å; I595-A598 VanDerWaalsContact O-N 3.15Å
596	E	96.3	Very high	96.2	Very high	165 Å²	165	35.2 Å²	35.2	77%	0.771	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.9	-173.3	-63.6	-177.2	174.6	0	0	113	R590	R590-E596 WeakPolarHBondContact CD-O 3.31Å
597	D	96.2	Very high	95.8	Very high	74 Å²	74	35.4 Å²	35.4	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	18.1	180	70.7	-29	0	0	0	113.3	I595 K599 Y619	I595-D597 WeakPolarHBondContact CG2-OD1 3.33Å; I595-D597 PolarHBondContact O-N 3.21Å; D597-K599 VanDerWaalsContact O-CG 3.31Å; D597-K599 WeakPolarHBondContact O-CG 3.47Å; D597-K599 PolarHBondContact O-N 2.83Å; D597-Y619 HydrophobicContact CB-CE1 4.05Å
598	A	98.2	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.			trans	-58.9	126.3	177	0	0	0	0	0	110.6	D565 Y589 R590 I595	D565-A598 WeakPolarHBondContact O-CA 3.08Å; Y589-A598 HydrophobicContact CD1-CB 3.98Å; Y589-A598 HydrophobicContact CE1-CB 3.71Å; R590-A598 HydrophobicContact CG-CB 3.9Å; R590-A598 VanDerWaalsContact CZ-O 3.31Å; R590-A598 PolarHBondContact NE-O 3.38Å; R590-A598 PolarHBondContact NH2-O 3.03Å; I595-A598 HydrophobicContact CB-CB 4.27Å; I595-A598 HydrophobicContact CG2-CB 3.91Å; I595-A598 WeakPolarHBondContact O-CB 3.34Å; I595-A598 PolarHBondContact O-N 2.73Å; I595-A598 VanDerWaalsContact O-N 3.15Å
599	K	98.4	Very high	95.2	Very high	16 Å²	16	32.9 Å²	32.9	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	149.9	-171.4	-62.3	179.5	-178.2	174.8	0	112.1	D565 V566 F567 D597 Y619 F637 I638	D565-K599 PolarHBondContact O-N 3.19Å; V566-K599 CarbonylContact C-O 3.57Å; V566-K599 WeakPolarHBondContact CA-O 3.42Å; V566-K599 HydrophobicContact CG1-CB 4.48Å; F567-K599 PolarHBondContact N-O 2.95Å; D597-K599 VanDerWaalsContact O-CG 3.31Å; D597-K599 WeakPolarHBondContact O-CG 3.47Å; D597-K599 PolarHBondContact O-N 2.83Å; K599-Y619 CarbonylContact C-O 3.54Å; K599-Y619 WeakPolarHBondContact CA-O 3.37Å; K599-Y619 HydrophobicContact CG-CD1 4.23Å; K599-F637 HydrophobicContact CB-CE1 3.85Å; K599-F637 HydrophobicContact CB-CZ 4.38Å; K599-F637 HydrophobicContact CD-CD1 4.13Å; K599-F637 HydrophobicContact CD-CE1 3.85Å; K599-F637 HydrophobicContact CD-CZ 4.2Å; K599-F637 HydrophobicContact CG-CE1 4.15Å; K599-F637 HydrophobicContact CG-CZ 4.38Å; K599-F637 PolarHBondContact NZ-O 3.49Å; K599-I638 VanDerWaalsContact NZ-C 3.32Å; K599-I638 PolarHBondContact NZ-O 2.72Å
600	L	98.2	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.7	168.8	171.5	65.8	0	0	0	109.4	F567 I569 L586 V602 Y619 M620 L621	F567-L600 HydrophobicContact CB-CD1 3.94Å; F567-L600 CarbonylContact O-C 3.59Å; F567-L600 WeakPolarHBondContact O-CA 3.44Å; I569-L600 HydrophobicContact CB-CD1 4.44Å; I569-L600 HydrophobicContact CG1-CD1 3.57Å; L586-L600 HydrophobicContact CD2-CB 3.55Å; L586-L600 HydrophobicContact CD2-CD2 4.43Å; L600-V602 HydrophobicContact CD1-CG2 4.48Å; L600-V602 HydrophobicContact CD2-CG2 4.26Å; L600-V602 HydrophobicContact CG-CG2 4.11Å; L600-Y619 PolarHBondContact N-O 3.07Å; L600-M620 HydrophobicContact CB-CG 4.15Å; L600-M620 HydrophobicContact CD2-CG 4.47Å; L600-M620 HydrophobicContact CD2-SD 4.1Å; L600-M620 CarbonylContact O-C 3.59Å; L600-M620 VanDerWaalsContact O-CA 3.25Å; L600-M620 WeakPolarHBondContact O-CA 3.3Å; L600-L621 PolarHBondContact O-N 3.23Å
601	I	97.6	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.5	172.8	-54.2	178.3	0	0	0	107.8	V566 F567 V568 I569 L621 V623 M634 F637 I638	V566-I601 HydrophobicContact CG1-CD1 3.92Å; V566-I601 HydrophobicContact CG1-CG1 4.22Å; F567-I601 PolarHBondContact O-N 3.05Å; V568-I601 CarbonylContact C-O 3.53Å; V568-I601 WeakPolarHBondContact CA-O 3.49Å; V568-I601 HydrophobicContact CG2-CB 4.39Å; V568-I601 HydrophobicContact CG2-CD1 4.47Å; I569-I601 PolarHBondContact N-O 3.39Å; I601-L621 CarbonylContact C-O 2.96Å; I601-L621 WeakPolarHBondContact CA-O 3.31Å; I601-L621 HydrophobicContact CG1-CB 4.45Å; I601-V623 HydrophobicContact CG2-CG1 4.17Å; I601-V623 HydrophobicContact CG2-CG2 3.7Å; I601-M634 HydrophobicContact CD1-CB 4.07Å; I601-M634 HydrophobicContact CD1-CG 3.94Å; I601-M634 HydrophobicContact CG2-CE 3.9Å; I601-M634 HydrophobicContact CG2-CG 4.21Å; I601-F637 HydrophobicContact CD1-CD1 3.81Å; I601-F637 HydrophobicContact CD1-CE1 4.26Å; I601-F637 HydrophobicContact CG1-CD1 3.82Å; I601-F637 HydrophobicContact CG1-CE1 3.77Å; I601-I638 HydrophobicContact CD1-CD1 3.96Å; I601-I638 HydrophobicContact CD1-CG1 3.96Å
602	V	97	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.3	179.5	-175.9	0	0	0	0	108.4	T571 N573 L600 I612 A613 L621 V623	T571-V602 HydrophobicContact CG2-CG1 4.17Å; N573-V602 WeakPolarHBondContact OD1-CG1 3.11Å; L600-V602 HydrophobicContact CD1-CG2 4.48Å; L600-V602 HydrophobicContact CD2-CG2 4.26Å; L600-V602 HydrophobicContact CG-CG2 4.11Å; V602-I612 HydrophobicContact CB-CG1 4.37Å; V602-I612 HydrophobicContact CG1-CD1 4.37Å; V602-I612 HydrophobicContact CG1-CG1 3.95Å; V602-I612 HydrophobicContact CG2-CD1 4Å; V602-I612 HydrophobicContact CG2-CG1 3.44Å; V602-I612 VanDerWaalsContact CG2-CG1 3.44Å; V602-A613 HydrophobicContact CG2-CB 3.97Å; V602-L621 PolarHBondContact N-O 3.48Å; V602-V623 WeakPolarHBondContact O-CG2 3.41Å; V602-V623 PolarHBondContact O-N 2.81Å
603	V	96.3	Very high	94.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	99.5	176.4	-169.6	0	0	0	0	108.6	M501 V568 I569 Y570 T571 M605 V623 M634	M501-V603 HydrophobicContact CE-CG1 4.37Å; V568-V603 HydrophobicContact CG1-CG2 3.62Å; I569-V603 PolarHBondContact O-N 3.41Å; Y570-V603 HydrophobicContact CD1-CB 3.68Å; Y570-V603 HydrophobicContact CD1-CG1 3.64Å; Y570-V603 HydrophobicContact CD1-CG2 4.18Å; Y570-V603 HydrophobicContact CE1-CB 3.88Å; Y570-V603 HydrophobicContact CE1-CG1 3.6Å; Y570-V603 HydrophobicContact CE1-CG2 3.99Å; Y570-V603 HydrophobicContact CE2-CG2 4.33Å; Y570-V603 HydrophobicContact CG-CB 4.09Å; Y570-V603 HydrophobicContact CG-CG2 4.44Å; T571-V603 PolarHBondContact N-O 3.36Å; V603-M605 HydrophobicContact CG1-SD 4.19Å; V603-M605 PolarHBondContact O-N 2.95Å; V603-V623 HydrophobicContact CB-CG2 4.2Å; V603-V623 HydrophobicContact CG1-CG2 4.33Å; V603-V623 HydrophobicContact CG2-CG2 3.75Å; V603-M634 HydrophobicContact CG2-CE 3.45Å; V603-M634 VanDerWaalsContact CG2-CE 3.45Å
604	A	93.8	Very high	94.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.9	-178.3	0	0	0	0	0	111.4	R78 V623 G625	R78-A604 HydrophobicContact CG-CB 4.46Å; A604-V623 PolarHBondContact N-O 3.34Å; A604-G625 WeakPolarHBondContact O-CA 3.47Å; A604-G625 PolarHBondContact O-N 3.35Å
605	M	92.4	Very high	94.2	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	11%	0.111	C	C	.	.			trans	-95.8	-4.7	179.6	-57.4	-57.2	-65.2	0	0	113.2	M483 I487 A494 A497 S498 M501 Y570 T571 V603 F626	M483-M605 HydrophobicContact CE-CB 4.3Å; M483-M605 HydrophobicContact CE-CG 4Å; I487-M605 HydrophobicContact CD1-CE 3.94Å; A494-M605 HydrophobicContact CB-CB 4.27Å; A497-M605 HydrophobicContact CB-CE 4.18Å; S498-M605 WeakPolarHBondContact OG-CE 3.45Å; S498-M605 WeakPolarHBondContact OG-CG 3.34Å; M501-M605 HydrophobicContact SD-CE 4.04Å; M501-M605 HydrophobicContact SD-SD 4.26Å; Y570-M605 HydrophobicContact CD1-SD 3.9Å; T571-M605 PolarHBondContact O-N 2.99Å; V603-M605 HydrophobicContact CG1-SD 4.19Å; V603-M605 PolarHBondContact O-N 2.95Å; M605-F626 HydrophobicContact CE-CD2 4.14Å; M605-F626 HydrophobicContact CE-CE2 3.62Å
606	T	88.3	Confident	94	Very high	20 Å²	20	25.9 Å²	25.9	12%	0.123	14%	0.136	C	C	.	.	S	Bend	trans	-132.6	159	179.7	62.3	0	0	0	0	111.6	L82 T88 D572 T608	L82-T606 VanDerWaalsContact CD1-C 3.49Å; L82-T606 WeakPolarHBondContact CD1-O 3.33Å; T88-T606 HydrophobicContact CG2-CG2 3.84Å; D572-T606 HydrophobicContact CB-CG2 3.59Å; D572-T606 PolarHBondContact O-OG1 3.27Å; T606-T608 VanDerWaalsContact C-N 3.25Å; T606-T608 PolarHBondContact O-N 2.83Å; T606-T608 PolarHBondContact OG1-OG1 2.7Å
607	A	87.3	Confident	93.9	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.025	10%	0.104	C	C	.	.			trans	-89.7	36.1	-179.8	0	0	0	0	0	113.8	R78 L82 G83 N100	R78-A607 HydrophobicContact CB-CB 4.4Å; L82-A607 HydrophobicContact CB-CB 4.4Å; G83-A607 WeakPolarHBondContact O-CB 3.43Å; N100-A607 PolarHBondContact ND2-O 3.26Å; N100-A607 VanDerWaalsContact ND2-O 3.08Å
608	T	89.3	Confident	93.8	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	12%	0.116	C	C	.	.			trans	-79.2	165.5	175	62.8	0	0	0	0	111.1	Y62 R78 T88 D572 T606 F610	Y62-T608 HydrophobicContact CE2-CG2 4.4Å; R78-T608 PolarHBondContact NH1-O 2.93Å; T88-T608 HydrophobicContact CG2-CG2 3.88Å; D572-T608 PolarHBondContact O-OG1 3.12Å; T606-T608 VanDerWaalsContact C-N 3.25Å; T606-T608 PolarHBondContact O-N 2.83Å; T606-T608 PolarHBondContact OG1-OG1 2.7Å; T608-F610 VanDerWaalsContact C-N 3.32Å
609	E	91.3	Very high	93.7	Very high	44 Å²	44	24.6 Å²	24.6	21%	0.206	13%	0.133	C	C	.	.	S	Bend	trans	-87.9	1.2	-179.7	71.6	-169.4	105.2	0	0	114.7	T69 I70 R75	T69-E609 WeakPolarHBondContact CA-O 3.24Å; I70-E609 WeakPolarHBondContact CG2-O 3.47Å; I70-E609 PolarHBondContact N-O 2.85Å; R75-E609 IonicContact CZ-OE1 3.92Å; R75-E609 IonicContact CZ-OE2 2.85Å; R75-E609 VanDerWaalsContact NH1-CD 3.34Å; R75-E609 IonicContact NH1-OE1 3.47Å; R75-E609 IonicContact NH1-OE2 3.66Å; R75-E609 PolarHBondContact NH1-OE2 2.99Å; R75-E609 VanDerWaalsContact NH2-CD 3.28Å; R75-E609 IonicContact NH2-OE1 2.7Å; R75-E609 PolarHBondContact NH2-OE1 2.76Å; R75-E609 IonicContact NH2-OE2 3.19Å; R75-E609 PolarHBondContact NH2-OE2 3.48Å
610	F	93.3	Very high	93.6	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.039	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	147.5	-170.9	-58.7	-49.8	0	0	0	112.2	V59 L60 N61 Y62 V67 F68 R78 N573 E574 T608	V59-F610 HydrophobicContact CG2-CD1 3.97Å; V59-F610 HydrophobicContact CG2-CE1 3.91Å; L60-F610 WeakPolarHBondContact O-CE1 3.22Å; N61-F610 HydrophobicContact CB-CB 4.47Å; N61-F610 HydrophobicContact CB-CD1 4.08Å; N61-F610 HydrophobicContact CB-CD2 3.64Å; N61-F610 HydrophobicContact CB-CE1 4.27Å; N61-F610 HydrophobicContact CB-CE2 3.81Å; N61-F610 HydrophobicContact CB-CG 3.79Å; N61-F610 HydrophobicContact CB-CZ 4.16Å; Y62-F610 HydrophobicContact CD1-CE2 4.3Å; Y62-F610 HydrophobicContact CD2-CD2 4.24Å; Y62-F610 AromaticContact CD2-CE2 3.44Å; Y62-F610 HydrophobicContact CD2-CE2 3.44Å; Y62-F610 VanDerWaalsContact CD2-CE2 3.44Å; Y62-F610 HydrophobicContact CD2-CZ 4.37Å; Y62-F610 HydrophobicContact CE1-CE2 4.34Å; Y62-F610 HydrophobicContact CE1-CZ 4.4Å; Y62-F610 HydrophobicContact CE2-CD2 4.34Å; Y62-F610 AromaticContact CE2-CE2 3.46Å; Y62-F610 HydrophobicContact CE2-CE2 3.46Å; Y62-F610 VanDerWaalsContact CE2-CE2 3.46Å; Y62-F610 HydrophobicContact CE2-CZ 4.17Å; Y62-F610 AromaticContact CG-CE2 3.85Å; Y62-F610 HydrophobicContact CG-CE2 3.85Å; Y62-F610 AromaticContact CZ-CE2 3.94Å; V67-F610 HydrophobicContact CG2-CB 3.76Å; V67-F610 HydrophobicContact CG2-CD1 3.77Å; V67-F610 HydrophobicContact CG2-CG 3.95Å; F68-F610 WeakPolarHBondContact O-CA 3.44Å; R78-F610 PolarHBondContact NH1-O 3.11Å; R78-F610 PolarHBondContact NH2-O 3.06Å; R78-F610 VanDerWaalsContact NH2-O 3.15Å; N573-F610 HydrophobicContact CB-CB 4.07Å; N573-F610 WeakPolarHBondContact CB-O 3.19Å; N573-F610 VanDerWaalsContact CG-O 3.27Å; N573-F610 PolarHBondContact ND2-O 3.12Å; E574-F610 WeakPolarHBondContact OE1-CD2 3.27Å; T608-F610 VanDerWaalsContact C-N 3.32Å
611	T	94.2	Very high	93.5	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.4	171.9	179.3	0	0	0	0	110.7	F68 I70 A613 D622	F68-T611 HydrophobicContact CB-CG2 3.94Å; F68-T611 PolarHBondContact N-O 3.15Å; F68-T611 PolarHBondContact O-N 3.34Å; I70-T611 HydrophobicContact CB-CG2 4.06Å; I70-T611 HydrophobicContact CG1-CG2 4.49Å; T611-A613 VanDerWaalsContact C-N 3.34Å; T611-A613 WeakPolarHBondContact OG1-CB 3.46Å; T611-A613 PolarHBondContact OG1-N 3.47Å; T611-D622 WeakPolarHBondContact CB-OD1 3.41Å; T611-D622 WeakPolarHBondContact CB-OD2 3.4Å; T611-D622 WeakPolarHBondContact CG2-OD2 3.3Å; T611-D622 PolarHBondContact OG1-OD1 3.38Å; T611-D622 PolarHBondContact OG1-OD2 2.7Å
612	I	93.5	Very high	93.4	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-87	-8	171.8	65.3	175.5	0	0	0	112.4	V67 C550 I569 T571 T575 P582 V602	V67-I612 HydrophobicContact CG1-CG2 4.28Å; C550-I612 HydrophobicContact CB-CD1 3.56Å; C550-I612 HydrophobicContact CB-CG2 4.45Å; I569-I612 HydrophobicContact CG2-CD1 4.29Å; T571-I612 HydrophobicContact CG2-CD1 4.46Å; T575-I612 HydrophobicContact CG2-CG2 3.76Å; P582-I612 HydrophobicContact CB-CB 4.19Å; P582-I612 HydrophobicContact CB-CD1 4.35Å; P582-I612 HydrophobicContact CG-CB 4.12Å; P582-I612 HydrophobicContact CG-CG2 4.25Å; V602-I612 HydrophobicContact CB-CG1 4.37Å; V602-I612 HydrophobicContact CG1-CD1 4.37Å; V602-I612 HydrophobicContact CG1-CG1 3.95Å; V602-I612 HydrophobicContact CG2-CD1 4Å; V602-I612 HydrophobicContact CG2-CG1 3.44Å; V602-I612 VanDerWaalsContact CG2-CG1 3.44Å
613	A	94.8	Very high	93.2	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.025	15%	0.147	C	C	.	.	S	Bend	trans	-77.7	127.7	174.3	0	0	0	0	0	110.1	F68 V602 T611 P615 M620	F68-A613 WeakPolarHBondContact CD2-O 3.44Å; V602-A613 HydrophobicContact CG2-CB 3.97Å; T611-A613 VanDerWaalsContact C-N 3.34Å; T611-A613 WeakPolarHBondContact OG1-CB 3.46Å; T611-A613 PolarHBondContact OG1-N 3.47Å; A613-P615 VanDerWaalsContact O-CD 3.27Å; A613-P615 WeakPolarHBondContact O-CD 3.32Å; A613-M620 HydrophobicContact CB-CB 3.8Å
614	D	94.2	Very high	93	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.064	15%	0.149	C	C	.	.			trans	-70.2	118.4	172.4	-176.1	-18.5	0	0	0	109.5	R57 F68 F583 N616 D617 M620	R57-D614 IonicContact CZ-OD1 3.38Å; R57-D614 IonicContact CZ-OD2 3.42Å; R57-D614 IonicContact NH1-OD1 3.91Å; R57-D614 PolarHBondContact NH1-OD1 3.02Å; R57-D614 IonicContact NH1-OD2 3.5Å; R57-D614 IonicContact NH2-OD1 2.7Å; R57-D614 PolarHBondContact NH2-OD1 3.07Å; R57-D614 VanDerWaalsContact NH2-OD1 3.12Å; R57-D614 IonicContact NH2-OD2 2.76Å; R57-D614 PolarHBondContact NH2-OD2 3.04Å; F68-D614 HydrophobicContact CD2-CB 4.38Å; F68-D614 HydrophobicContact CE2-CB 3.75Å; F68-D614 HydrophobicContact CZ-CB 4Å; F583-D614 HydrophobicContact CB-CB 4.35Å; D614-N616 PolarHBondContact O-N 3.25Å; D614-N616 PolarHBondContact OD1-N 3Å; D614-D617 HydrophobicContact CB-CB 4.02Å; D614-D617 PolarHBondContact O-N 2.89Å; D614-M620 HydrophobicContact CB-CE 4.47Å; D614-M620 HydrophobicContact CB-SD 3.93Å; D614-M620 PolarHBondContact N-SD 2.89Å
615	P	91	Very high	92.9	Very high	72 Å²	72	27.4 Å²	27.4	47%	0.468	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.3	179.6	-23.4	34.5	0	0	0	115.1	F68 A613	F68-P615 HydrophobicContact CB-CG 4.09Å; F68-P615 HydrophobicContact CD1-CG 4.5Å; F68-P615 HydrophobicContact CG-CG 4.35Å; A613-P615 VanDerWaalsContact O-CD 3.27Å; A613-P615 WeakPolarHBondContact O-CD 3.32Å
616	N	92	Very high	92.7	Very high	116 Å²	116	27.3 Å²	27.3	62%	0.62	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.7	177.4	-73.5	-0.9	0	0	0	113.1	R57 D614 P618	R57-N616 VanDerWaalsContact NH1-CB 3.32Å; R57-N616 PolarHBondContact NH1-ND2 3.24Å; R57-N616 PolarHBondContact NH1-OD1 2.92Å; D614-N616 PolarHBondContact O-N 3.25Å; D614-N616 PolarHBondContact OD1-N 3Å; N616-P618 WeakPolarHBondContact O-CD 3.29Å
617	D	94.2	Very high	92.7	Very high	18 Å²	18	26.6 Å²	26.6	10%	0.096	14%	0.144	C	C	.	.			trans	-93.7	110.7	176.7	-169.9	-41	0	0	0	109.7	R590 D614 Y619 M620	R590-D617 IonicContact CZ-OD1 3.79Å; R590-D617 IonicContact CZ-OD2 3.33Å; R590-D617 IonicContact NH1-OD1 2.87Å; R590-D617 IonicContact NH1-OD2 3.91Å; R590-D617 PolarHBondContact NH1-OD2 2.89Å; R590-D617 IonicContact NH2-OD1 4Å; R590-D617 PolarHBondContact NH2-OD1 3.5Å; R590-D617 IonicContact NH2-OD2 3.59Å; R590-D617 PolarHBondContact NH2-OD2 3.21Å; D614-D617 HydrophobicContact CB-CB 4.02Å; D614-D617 PolarHBondContact O-N 2.89Å; D617-Y619 PolarHBondContact O-N 2.88Å; D617-Y619 VanDerWaalsContact O-N 3.07Å; D617-Y619 WeakPolarHBondContact OD1-CA 3.33Å; D617-Y619 VanDerWaalsContact OD1-CB 3.31Å; D617-Y619 WeakPolarHBondContact OD1-CB 3.32Å; D617-Y619 PolarHBondContact OD1-N 3.41Å; D617-M620 HydrophobicContact CB-CB 4.29Å; D617-M620 HydrophobicContact CB-CE 4.09Å; D617-M620 HydrophobicContact CB-CG 3.78Å; D617-M620 HydrophobicContact CB-SD 4.08Å; D617-M620 PolarHBondContact O-N 3.49Å; D617-M620 VanDerWaalsContact OD2-CE 3.3Å; D617-M620 WeakPolarHBondContact OD2-CE 3.21Å
618	P	93.7	Very high	92.6	Very high	99 Å²	99	27.3 Å²	27.3	64%	0.643	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.8	-177.3	31	-37	0	0	0	113.3	N616 F637	N616-P618 WeakPolarHBondContact O-CD 3.29Å; P618-F637 WeakPolarHBondContact O-CE2 3.45Å
619	Y	96.7	Very high	92.4	Very high	94 Å²	94	29 Å²	29	37%	0.369	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	15.4	175.7	-57	-57.1	0	0	0	111.7	D597 K599 L600 D617	D597-Y619 HydrophobicContact CB-CE1 4.05Å; K599-Y619 CarbonylContact C-O 3.54Å; K599-Y619 WeakPolarHBondContact CA-O 3.37Å; K599-Y619 HydrophobicContact CG-CD1 4.23Å; L600-Y619 PolarHBondContact N-O 3.07Å; D617-Y619 PolarHBondContact O-N 2.88Å; D617-Y619 VanDerWaalsContact O-N 3.07Å; D617-Y619 WeakPolarHBondContact OD1-CA 3.33Å; D617-Y619 VanDerWaalsContact OD1-CB 3.31Å; D617-Y619 WeakPolarHBondContact OD1-CB 3.32Å; D617-Y619 PolarHBondContact OD1-N 3.41Å
620	M	97	Very high	92.3	Very high	16 Å²	16	27 Å²	27	8%	0.079	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.7	166.7	-55.4	-169.5	-169.7	0	0	111.4	F583 L586 L600 A613 D614 D617	F583-M620 HydrophobicContact CB-CE 3.75Å; F583-M620 HydrophobicContact CB-SD 4.31Å; L586-M620 HydrophobicContact CB-CE 4.2Å; L586-M620 HydrophobicContact CD2-CE 3.41Å; L586-M620 VanDerWaalsContact CD2-CE 3.41Å; L586-M620 HydrophobicContact CD2-CG 4.04Å; L586-M620 HydrophobicContact CD2-SD 4.31Å; L586-M620 HydrophobicContact CG-CE 4.36Å; L600-M620 HydrophobicContact CB-CG 4.15Å; L600-M620 HydrophobicContact CD2-CG 4.47Å; L600-M620 HydrophobicContact CD2-SD 4.1Å; L600-M620 CarbonylContact O-C 3.59Å; L600-M620 VanDerWaalsContact O-CA 3.25Å; L600-M620 WeakPolarHBondContact O-CA 3.3Å; A613-M620 HydrophobicContact CB-CB 3.8Å; D614-M620 HydrophobicContact CB-CE 4.47Å; D614-M620 HydrophobicContact CB-SD 3.93Å; D614-M620 PolarHBondContact N-SD 2.89Å; D617-M620 HydrophobicContact CB-CB 4.29Å; D617-M620 HydrophobicContact CB-CE 4.09Å; D617-M620 HydrophobicContact CB-CG 3.78Å; D617-M620 HydrophobicContact CB-SD 4.08Å; D617-M620 PolarHBondContact O-N 3.49Å; D617-M620 VanDerWaalsContact OD2-CE 3.3Å; D617-M620 WeakPolarHBondContact OD2-CE 3.21Å
621	L	95.6	Very high	92.1	Very high	29 Å²	29	27.2 Å²	27.2	15%	0.152	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.5	-178.3	177.8	68.8	0	0	0	111.6	L600 I601 V602 V623 M633 F637	L600-L621 PolarHBondContact O-N 3.23Å; I601-L621 CarbonylContact C-O 2.96Å; I601-L621 WeakPolarHBondContact CA-O 3.31Å; I601-L621 HydrophobicContact CG1-CB 4.45Å; V602-L621 PolarHBondContact N-O 3.48Å; L621-V623 HydrophobicContact CD2-CG1 3.67Å; L621-V623 HydrophobicContact CG-CG1 3.87Å; L621-M633 HydrophobicContact CD2-CG 4.39Å; L621-F637 HydrophobicContact CB-CD1 3.85Å; L621-F637 HydrophobicContact CB-CD2 4.15Å; L621-F637 HydrophobicContact CB-CE1 3.59Å; L621-F637 HydrophobicContact CB-CE2 3.92Å; L621-F637 HydrophobicContact CB-CG 4.11Å; L621-F637 HydrophobicContact CB-CZ 3.62Å; L621-F637 HydrophobicContact CD2-CB 3.72Å; L621-F637 HydrophobicContact CD2-CD1 3.81Å; L621-F637 HydrophobicContact CD2-CD2 4.2Å; L621-F637 HydrophobicContact CD2-CE1 4.42Å; L621-F637 HydrophobicContact CD2-CG 3.66Å; L621-F637 HydrophobicContact CG-CD1 4.47Å; L621-F637 HydrophobicContact CG-CG 4.42Å
622	D	94.8	Very high	91.9	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.1	165.9	-91	-73.5	0	0	0	111.7	I70 R78 T611	I70-D622 HydrophobicContact CD1-CB 3.81Å; I70-D622 HydrophobicContact CG1-CB 4.4Å; R78-D622 IonicContact CZ-OD1 3.86Å; R78-D622 IonicContact NH2-OD1 3.59Å; R78-D622 PolarHBondContact NH2-OD1 3.08Å; T611-D622 WeakPolarHBondContact CB-OD1 3.41Å; T611-D622 WeakPolarHBondContact CB-OD2 3.4Å; T611-D622 WeakPolarHBondContact CG2-OD2 3.3Å; T611-D622 PolarHBondContact OG1-OD1 3.38Å; T611-D622 PolarHBondContact OG1-OD2 2.7Å
623	V	93.5	Very high	91.7	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.1	171.1	-59.7	0	0	0	0	111.2	I601 V602 V603 A604 L621 V630 M633 M634	I601-V623 HydrophobicContact CG2-CG1 4.17Å; I601-V623 HydrophobicContact CG2-CG2 3.7Å; V602-V623 WeakPolarHBondContact O-CG2 3.41Å; V602-V623 PolarHBondContact O-N 2.81Å; V603-V623 HydrophobicContact CB-CG2 4.2Å; V603-V623 HydrophobicContact CG1-CG2 4.33Å; V603-V623 HydrophobicContact CG2-CG2 3.75Å; A604-V623 PolarHBondContact N-O 3.34Å; L621-V623 HydrophobicContact CD2-CG1 3.67Å; L621-V623 HydrophobicContact CG-CG1 3.87Å; V623-V630 HydrophobicContact CB-CG1 4.15Å; V623-V630 HydrophobicContact CB-CG2 4.04Å; V623-V630 HydrophobicContact CG2-CG1 3.94Å; V623-M633 HydrophobicContact CG1-SD 3.94Å; V623-M634 HydrophobicContact CG2-CE 3.77Å
624	V	92.5	Very high	91.7	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.7	-176.1	-171.9	0	0	0	0	110.2	R77 R78 I81 L82 D627 V630	R77-V624 HydrophobicContact CB-CG2 4Å; R78-V624 HydrophobicContact CB-CG2 4.45Å; R78-V624 HydrophobicContact CG-CG1 4.26Å; R78-V624 HydrophobicContact CG-CG2 3.71Å; I81-V624 HydrophobicContact CB-CG1 4.01Å; I81-V624 HydrophobicContact CD1-CB 4.45Å; I81-V624 HydrophobicContact CD1-CG1 4.44Å; I81-V624 HydrophobicContact CG2-CG1 4.03Å; L82-V624 HydrophobicContact CD1-CG1 3.77Å; L82-V624 HydrophobicContact CD2-CG1 4.14Å; L82-V624 HydrophobicContact CG-CG1 3.62Å; V624-D627 HydrophobicContact CB-CB 4.42Å; V624-D627 PolarHBondContact O-N 2.86Å; V624-V630 WeakPolarHBondContact O-CG2 3.45Å
625	G	90.6	Very high	91.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	146.4	172.6	0	0	0	0	0	112.2	L82 A604 D627	L82-G625 WeakPolarHBondContact CD2-O 3.29Å; A604-G625 WeakPolarHBondContact O-CA 3.47Å; A604-G625 PolarHBondContact O-N 3.35Å; G625-D627 PolarHBondContact O-N 2.89Å
626	F	89.7	Confident	91.7	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-1.7	-179.7	-69.2	-84	0	0	0	118.6	H382 P383 M384 L387 F459 I487 A497 M501 M605 P628	H382-F626 PolarHBondContact CE1-O 3.43Å; H382-F626 PolarHBondContact NE2-O 2.89Å; P383-F626 HydrophobicContact CB-CD1 4.47Å; M384-F626 HydrophobicContact CB-CB 4.21Å; M384-F626 HydrophobicContact CB-CD1 3.67Å; M384-F626 HydrophobicContact CB-CE1 4.24Å; M384-F626 HydrophobicContact CB-CG 4Å; M384-F626 HydrophobicContact CE-CB 3.96Å; M384-F626 HydrophobicContact CE-CD2 3.96Å; M384-F626 HydrophobicContact CE-CG 3.96Å; M384-F626 HydrophobicContact CG-CD1 4.25Å; M384-F626 HydrophobicContact CG-CE1 4.49Å; M384-F626 HydrophobicContact CG-CG 4.4Å; M384-F626 HydrophobicContact SD-CB 4.24Å; M384-F626 HydrophobicContact SD-CD1 3.93Å; M384-F626 HydrophobicContact SD-CD2 3.52Å; M384-F626 VanDerWaalsContact SD-CD2 3.52Å; M384-F626 HydrophobicContact SD-CE1 4.14Å; M384-F626 HydrophobicContact SD-CE2 3.77Å; M384-F626 HydrophobicContact SD-CG 3.61Å; M384-F626 HydrophobicContact SD-CZ 4.07Å; L387-F626 HydrophobicContact CB-CE1 4.41Å; L387-F626 HydrophobicContact CD2-CE1 3.51Å; L387-F626 HydrophobicContact CD2-CZ 3.51Å; F459-F626 HydrophobicContact CE2-CD1 4.39Å; F459-F626 AromaticContact CE2-CE1 3.96Å; F459-F626 HydrophobicContact CE2-CE1 3.96Å; F459-F626 HydrophobicContact CZ-CE1 4.33Å; I487-F626 HydrophobicContact CD1-CD2 3.6Å; I487-F626 HydrophobicContact CD1-CE2 3.38Å; A497-F626 HydrophobicContact CB-CE2 3.8Å; A497-F626 HydrophobicContact CB-CZ 3.68Å; M501-F626 HydrophobicContact CG-CD1 4.37Å; M501-F626 HydrophobicContact CG-CE1 3.99Å; M501-F626 HydrophobicContact CG-CE2 4.22Å; M501-F626 HydrophobicContact CG-CZ 3.89Å; M501-F626 HydrophobicContact SD-CD1 4.09Å; M501-F626 HydrophobicContact SD-CD2 3.6Å; M501-F626 HydrophobicContact SD-CE1 4.15Å; M501-F626 HydrophobicContact SD-CE2 3.64Å; M501-F626 HydrophobicContact SD-CG 3.83Å; M501-F626 HydrophobicContact SD-CZ 3.92Å; M501-F626 PolarHBondContact SD-N 3.33Å; M605-F626 HydrophobicContact CE-CD2 4.14Å; M605-F626 HydrophobicContact CE-CE2 3.62Å; F626-P628 WeakPolarHBondContact O-CD 3.39Å
627	D	87.6	Confident	91.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.148	C	C	.	.			trans	-66.5	119.6	175.4	178.9	6.1	0	0	0	110.4	I81 R128 V624 G625 V629 V630	I81-D627 HydrophobicContact CD1-CB 3.75Å; I81-D627 WeakPolarHBondContact CD1-OD2 3.46Å; I81-D627 HydrophobicContact CG2-CB 4.29Å; R128-D627 IonicContact CZ-OD1 3.1Å; R128-D627 IonicContact CZ-OD2 2.69Å; R128-D627 IonicContact NE-OD1 3.27Å; R128-D627 PolarHBondContact NE-OD1 2.87Å; R128-D627 IonicContact NE-OD2 3.41Å; R128-D627 PolarHBondContact NE-OD2 3.43Å; R128-D627 IonicContact NH2-OD1 2.95Å; R128-D627 IonicContact NH2-OD2 2.75Å; R128-D627 PolarHBondContact NH2-OD2 3.45Å; V624-D627 HydrophobicContact CB-CB 4.42Å; V624-D627 PolarHBondContact O-N 2.86Å; G625-D627 PolarHBondContact O-N 2.89Å; D627-V629 PolarHBondContact O-N 3.41Å; D627-V629 VanDerWaalsContact O-N 3.07Å; D627-V629 WeakPolarHBondContact OD1-CG2 3.34Å; D627-V629 PolarHBondContact OD1-N 3.26Å; D627-V630 HydrophobicContact CB-CG2 3.63Å; D627-V630 WeakPolarHBondContact O-CB 3.4Å; D627-V630 PolarHBondContact O-N 2.9Å
628	P	84.2	Confident	92	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.123	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.9	-173.2	-20.4	26.2	0	0	0	114.9	P383 S464 F626	P383-P628 HydrophobicContact CG-CB 4.32Å; P383-P628 HydrophobicContact CG-CG 4.17Å; S464-P628 PolarHBondContact N-O 2.68Å; S464-P628 VanDerWaalsContact N-O 3.09Å; F626-P628 WeakPolarHBondContact O-CD 3.39Å
629	V	86.2	Confident	92.1	Very high	37 Å²	37	27.5 Å²	27.5	22%	0.224	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.4	-178.1	-50.2	0	0	0	0	113.2	R128 D627 E632 M633	R128-V629 HydrophobicContact CG-CG1 4.12Å; D627-V629 PolarHBondContact O-N 3.41Å; D627-V629 VanDerWaalsContact O-N 3.07Å; D627-V629 WeakPolarHBondContact OD1-CG2 3.34Å; D627-V629 PolarHBondContact OD1-N 3.26Å; V629-E632 WeakPolarHBondContact O-CB 3.12Å; V629-E632 PolarHBondContact O-N 2.8Å; V629-M633 PolarHBondContact O-N 3.12Å; V629-M633 VanDerWaalsContact O-N 3.07Å
630	V	89.7	Confident	91.9	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-42.1	-174.1	161.4	0	0	0	0	113.5	V623 V624 D627 E632 M633 M634	V623-V630 HydrophobicContact CB-CG1 4.15Å; V623-V630 HydrophobicContact CB-CG2 4.04Å; V623-V630 HydrophobicContact CG2-CG1 3.94Å; V624-V630 WeakPolarHBondContact O-CG2 3.45Å; D627-V630 HydrophobicContact CB-CG2 3.63Å; D627-V630 WeakPolarHBondContact O-CB 3.4Å; D627-V630 PolarHBondContact O-N 2.9Å; V630-E632 VanDerWaalsContact C-N 3.25Å; V630-E632 PolarHBondContact O-N 3.25Å; V630-M633 PolarHBondContact O-N 2.71Å; V630-M633 VanDerWaalsContact O-N 3.15Å; V630-M634 HydrophobicContact CG1-CE 3.47Å; V630-M634 VanDerWaalsContact CG1-CE 3.47Å; V630-M634 HydrophobicContact CG1-CG 3.93Å; V630-M634 HydrophobicContact CG1-SD 3.66Å; V630-M634 WeakPolarHBondContact O-CB 3.43Å; V630-M634 VanDerWaalsContact O-CG 3.26Å; V630-M634 WeakPolarHBondContact O-CG 3.35Å; V630-M634 PolarHBondContact O-N 2.84Å
631	P	88.8	Confident	91.6	Very high	13 Å²	13	30.7 Å²	30.7	8%	0.084	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-38.6	175.4	-31.9	41.8	0	0	0	113.3	F463 V466 I504 N635	F463-P631 HydrophobicContact CB-CG 4.04Å; F463-P631 HydrophobicContact CD1-CG 3.93Å; F463-P631 HydrophobicContact CG-CG 4.28Å; V466-P631 HydrophobicContact CG1-CB 4.1Å; V466-P631 HydrophobicContact CG2-CB 4.07Å; I504-P631 HydrophobicContact CG2-CG 4.35Å; P631-N635 VanDerWaalsContact O-CB 3.31Å; P631-N635 WeakPolarHBondContact O-CB 3.39Å; P631-N635 PolarHBondContact O-N 2.9Å
632	E	89	Confident	91.2	Very high	78 Å²	78	35.8 Å²	35.8	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-68.4	-42.4	176.9	-170.3	-170.1	153.7	0	0	111.7	V466 V629 V630 N635 K636	V466-E632 HydrophobicContact CG1-CB 4.06Å; V629-E632 WeakPolarHBondContact O-CB 3.12Å; V629-E632 PolarHBondContact O-N 2.8Å; V630-E632 VanDerWaalsContact C-N 3.25Å; V630-E632 PolarHBondContact O-N 3.25Å; E632-N635 PolarHBondContact O-N 3.15Å; E632-K636 HydrophobicContact CG-CD 4.46Å; E632-K636 WeakPolarHBondContact O-CG 3.47Å; E632-K636 PolarHBondContact O-N 3Å; E632-K636 WeakPolarHBondContact OE1-CE 3.4Å; E632-K636 IonicContact OE1-NZ 3.34Å; E632-K636 PolarHBondContact OE1-NZ 3.47Å
633	M	90.3	Very high	91	Very high	46 Å²	46	36.7 Å²	36.7	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-45.3	176.9	-173.7	-179.9	-65.9	0	0	111.8	L621 V623 V629 V630 N635 K636 F637 I642	L621-M633 HydrophobicContact CD2-CG 4.39Å; V623-M633 HydrophobicContact CG1-SD 3.94Å; V629-M633 PolarHBondContact O-N 3.12Å; V629-M633 VanDerWaalsContact O-N 3.07Å; V630-M633 PolarHBondContact O-N 2.71Å; V630-M633 VanDerWaalsContact O-N 3.15Å; M633-N635 VanDerWaalsContact C-N 3.34Å; M633-N635 PolarHBondContact O-N 3.34Å; M633-K636 PolarHBondContact O-N 2.77Å; M633-F637 WeakPolarHBondContact O-CB 3.4Å; M633-F637 PolarHBondContact O-N 2.81Å; M633-I642 HydrophobicContact CG-CD1 3.98Å
634	M	94.2	Very high	90.9	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-47.3	174.1	-70.9	174.6	163.5	0	0	110.5	V568 I601 V603 V623 V630 K636 F637 I638	V568-M634 HydrophobicContact CG1-CE 3.82Å; I601-M634 HydrophobicContact CD1-CB 4.07Å; I601-M634 HydrophobicContact CD1-CG 3.94Å; I601-M634 HydrophobicContact CG2-CE 3.9Å; I601-M634 HydrophobicContact CG2-CG 4.21Å; V603-M634 HydrophobicContact CG2-CE 3.45Å; V603-M634 VanDerWaalsContact CG2-CE 3.45Å; V623-M634 HydrophobicContact CG2-CE 3.77Å; V630-M634 HydrophobicContact CG1-CE 3.47Å; V630-M634 VanDerWaalsContact CG1-CE 3.47Å; V630-M634 HydrophobicContact CG1-CG 3.93Å; V630-M634 HydrophobicContact CG1-SD 3.66Å; V630-M634 WeakPolarHBondContact O-CB 3.43Å; V630-M634 VanDerWaalsContact O-CG 3.26Å; V630-M634 WeakPolarHBondContact O-CG 3.35Å; V630-M634 PolarHBondContact O-N 2.84Å; M634-K636 PolarHBondContact O-N 3.37Å; M634-F637 PolarHBondContact O-N 3.01Å; M634-I638 HydrophobicContact CB-CD1 4.32Å; M634-I638 WeakPolarHBondContact O-CB 3.31Å; M634-I638 VanDerWaalsContact O-CD1 3.31Å; M634-I638 WeakPolarHBondContact O-CD1 3.13Å; M634-I638 WeakPolarHBondContact O-CG1 3.41Å; M634-I638 PolarHBondContact O-N 3.33Å
635	N	92.9	Very high	90.8	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-49.6	179.4	-165.2	-81.3	0	0	0	111.9	V466 E467 T469 P631 E632 M633 F637 I638 L639	V466-N635 HydrophobicContact CB-CB 4.45Å; V466-N635 HydrophobicContact CG1-CB 4.4Å; E467-N635 PolarHBondContact O-ND2 3.4Å; T469-N635 HydrophobicContact CG2-CB 4.47Å; T469-N635 WeakPolarHBondContact CG2-ND2 3.48Å; P631-N635 VanDerWaalsContact O-CB 3.31Å; P631-N635 WeakPolarHBondContact O-CB 3.39Å; P631-N635 PolarHBondContact O-N 2.9Å; E632-N635 PolarHBondContact O-N 3.15Å; M633-N635 VanDerWaalsContact C-N 3.34Å; M633-N635 PolarHBondContact O-N 3.34Å; N635-F637 PolarHBondContact O-N 2.73Å; N635-I638 PolarHBondContact O-N 3.42Å; N635-L639 WeakPolarHBondContact O-CB 3.31Å; N635-L639 WeakPolarHBondContact O-CG 3.44Å; N635-L639 PolarHBondContact O-N 2.73Å; N635-L639 VanDerWaalsContact OD1-CD1 3.27Å; N635-L639 WeakPolarHBondContact OD1-CD1 3.5Å
636	K	93.4	Very high	90.8	Very high	76 Å²	76	42.4 Å²	42.4	33%	0.33	23%	0.23	S	C	.	.	H	α-helix	trans	-56.2	-48.2	175.8	-76.5	172.2	169.7	166.8	0	111.8	E632 M633 M634 L639 G640 Q641 I642	E632-K636 HydrophobicContact CG-CD 4.46Å; E632-K636 WeakPolarHBondContact O-CG 3.47Å; E632-K636 PolarHBondContact O-N 3Å; E632-K636 WeakPolarHBondContact OE1-CE 3.4Å; E632-K636 IonicContact OE1-NZ 3.34Å; E632-K636 PolarHBondContact OE1-NZ 3.47Å; M633-K636 PolarHBondContact O-N 2.77Å; M634-K636 PolarHBondContact O-N 3.37Å; K636-L639 PolarHBondContact O-N 3.22Å; K636-G640 PolarHBondContact O-N 2.99Å; K636-G640 VanDerWaalsContact O-N 3.12Å; K636-Q641 HydrophobicContact CB-CB 4.17Å; K636-Q641 HydrophobicContact CG-CB 4.46Å; K636-Q641 WeakPolarHBondContact O-CB 3.34Å; K636-Q641 PolarHBondContact O-N 2.75Å; K636-I642 HydrophobicContact CB-CD1 4.24Å; K636-I642 HydrophobicContact CB-CG1 4.19Å; K636-I642 HydrophobicContact CB-CG2 4.27Å
637	F	95.8	Very high	90.9	Very high	9 Å²	9	45 Å²	45	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-46.3	178.1	175.9	-113.7	0	0	0	112.1	K599 I601 P618 L621 M633 M634 N635 L639 G640 I642	K599-F637 HydrophobicContact CB-CE1 3.85Å; K599-F637 HydrophobicContact CB-CZ 4.38Å; K599-F637 HydrophobicContact CD-CD1 4.13Å; K599-F637 HydrophobicContact CD-CE1 3.85Å; K599-F637 HydrophobicContact CD-CZ 4.2Å; K599-F637 HydrophobicContact CG-CE1 4.15Å; K599-F637 HydrophobicContact CG-CZ 4.38Å; K599-F637 PolarHBondContact NZ-O 3.49Å; I601-F637 HydrophobicContact CD1-CD1 3.81Å; I601-F637 HydrophobicContact CD1-CE1 4.26Å; I601-F637 HydrophobicContact CG1-CD1 3.82Å; I601-F637 HydrophobicContact CG1-CE1 3.77Å; P618-F637 WeakPolarHBondContact O-CE2 3.45Å; L621-F637 HydrophobicContact CB-CD1 3.85Å; L621-F637 HydrophobicContact CB-CD2 4.15Å; L621-F637 HydrophobicContact CB-CE1 3.59Å; L621-F637 HydrophobicContact CB-CE2 3.92Å; L621-F637 HydrophobicContact CB-CG 4.11Å; L621-F637 HydrophobicContact CB-CZ 3.62Å; L621-F637 HydrophobicContact CD2-CB 3.72Å; L621-F637 HydrophobicContact CD2-CD1 3.81Å; L621-F637 HydrophobicContact CD2-CD2 4.2Å; L621-F637 HydrophobicContact CD2-CE1 4.42Å; L621-F637 HydrophobicContact CD2-CG 3.66Å; L621-F637 HydrophobicContact CG-CD1 4.47Å; L621-F637 HydrophobicContact CG-CG 4.42Å; M633-F637 WeakPolarHBondContact O-CB 3.4Å; M633-F637 PolarHBondContact O-N 2.81Å; M634-F637 PolarHBondContact O-N 3.01Å; N635-F637 PolarHBondContact O-N 2.73Å; F637-L639 VanDerWaalsContact C-N 3.27Å; F637-L639 PolarHBondContact O-N 3.13Å; F637-G640 PolarHBondContact O-N 3.48Å; F637-I642 HydrophobicContact CB-CD1 4Å; F637-I642 HydrophobicContact CB-CG1 3.87Å; F637-I642 HydrophobicContact CD2-CG1 4.41Å
638	I	96.2	Very high	91.1	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-37.2	-179.7	-68.3	164	0	0	0	111.1	T469 K471 F473 V566 K599 I601 M634 N635 G640	T469-I638 HydrophobicContact CG2-CB 4.18Å; T469-I638 HydrophobicContact CG2-CG2 3.83Å; K471-I638 HydrophobicContact CB-CG2 4.33Å; K471-I638 HydrophobicContact CG-CG2 3.77Å; F473-I638 HydrophobicContact CE1-CD1 3.56Å; F473-I638 HydrophobicContact CZ-CD1 3.62Å; V566-I638 HydrophobicContact CG1-CD1 4.02Å; V566-I638 HydrophobicContact CG1-CG1 4.06Å; V566-I638 HydrophobicContact CG2-CB 4.39Å; V566-I638 HydrophobicContact CG2-CD1 4.07Å; V566-I638 HydrophobicContact CG2-CG1 3.79Å; V566-I638 HydrophobicContact CG2-CG2 3.77Å; K599-I638 VanDerWaalsContact NZ-C 3.32Å; K599-I638 PolarHBondContact NZ-O 2.72Å; I601-I638 HydrophobicContact CD1-CD1 3.96Å; I601-I638 HydrophobicContact CD1-CG1 3.96Å; M634-I638 HydrophobicContact CB-CD1 4.32Å; M634-I638 WeakPolarHBondContact O-CB 3.31Å; M634-I638 VanDerWaalsContact O-CD1 3.31Å; M634-I638 WeakPolarHBondContact O-CD1 3.13Å; M634-I638 WeakPolarHBondContact O-CG1 3.41Å; M634-I638 PolarHBondContact O-N 3.33Å; N635-I638 PolarHBondContact O-N 3.42Å; I638-G640 VanDerWaalsContact C-N 3.3Å; I638-G640 PolarHBondContact O-N 3.25Å
639	L	95.3	Very high	91.6	Very high	80 Å²	80	49.8 Å²	49.8	42%	0.419	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.8	176.1	-62.1	179.8	0	0	0	114.2	T469 N635 K636 F637 Q641	T469-L639 HydrophobicContact CG2-CD2 4.32Å; T469-L639 HydrophobicContact CG2-CG 4.29Å; N635-L639 WeakPolarHBondContact O-CB 3.31Å; N635-L639 WeakPolarHBondContact O-CG 3.44Å; N635-L639 PolarHBondContact O-N 2.73Å; N635-L639 VanDerWaalsContact OD1-CD1 3.27Å; N635-L639 WeakPolarHBondContact OD1-CD1 3.5Å; K636-L639 PolarHBondContact O-N 3.22Å; F637-L639 VanDerWaalsContact C-N 3.27Å; F637-L639 PolarHBondContact O-N 3.13Å; L639-Q641 HydrophobicContact CB-CG 4.12Å
640	G	92.5	Very high	92	Very high	56 Å²	56	50.8 Å²	50.8	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	29.5	178.2	0	0	0	0	0	114	K636 F637 I638	K636-G640 PolarHBondContact O-N 2.99Å; K636-G640 VanDerWaalsContact O-N 3.12Å; F637-G640 PolarHBondContact O-N 3.48Å; I638-G640 VanDerWaalsContact C-N 3.3Å; I638-G640 PolarHBondContact O-N 3.25Å
641	Q	91	Very high	92.2	Very high	121 Å²	121	54.8 Å²	54.8	57%	0.565	29%	0.294	S	S	*	.			trans	-93.6	-10.7	-179.5	-59.4	175.8	0.8	0	0	113.3	K636 L639	K636-Q641 HydrophobicContact CB-CB 4.17Å; K636-Q641 HydrophobicContact CG-CB 4.46Å; K636-Q641 WeakPolarHBondContact O-CB 3.34Å; K636-Q641 PolarHBondContact O-N 2.75Å; L639-Q641 HydrophobicContact CB-CG 4.12Å
642	I	86.7	Confident	92.5	Very high	137 Å²	137	58.5 Å²	58.5	70%	0.703	31%	0.313	S	S	*	.			trans	-137.9	0	174	61.2	175	0	0	0	111	M633 K636 F637	M633-I642 HydrophobicContact CG-CD1 3.98Å; K636-I642 HydrophobicContact CB-CD1 4.24Å; K636-I642 HydrophobicContact CB-CG1 4.19Å; K636-I642 HydrophobicContact CB-CG2 4.27Å; F637-I642 HydrophobicContact CB-CD1 4Å; F637-I642 HydrophobicContact CB-CG1 3.87Å; F637-I642 HydrophobicContact CD2-CG1 4.41Å

Retrieved 642 of 642 residues in 1193.2 ms (Link to these results)

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