A0A087XCG6_POEFO Loading...

Myosin, light chain 1, alkali; skeletal, fast

AlphaFold DB , UniProt , Accession A0A087XCG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 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	48	Very low	47.5	Very low	252 Å²	252	151.7 Å²	151.7	100%	1.241	86%	0.86	S	S	*	*				0	103.5	0	-76.2	165.3	119.3	0	0	107.5
2	A	45.6	Very low	47.5	Very low	93 Å²	93	156.6 Å²	156.6	77%	0.769	86%	0.864	S	S	*	*			trans	-112.7	134.9	179.3	0	0	0	0	0	108.4	K4	A2-K4 PolarHBondContact O-N 3.25Å
3	P	49.8	Very low	47.2	Very low	129 Å²	129	160.4 Å²	160.4	84%	0.838	87%	0.867	S	S	*	*			trans	-73.6	127.5	-176.6	28	-31.3	0	0	0	110.7
4	K	50.6	Low	47.1	Very low	201 Å²	201	156.1 Å²	156.1	87%	0.874	86%	0.864	S	S	*	*			trans	-73.6	131.4	170.7	-77.7	179.2	175.9	171.9	0	108.9	A2	A2-K4 PolarHBondContact O-N 3.25Å
5	K	47	Very low	47.2	Very low	203 Å²	203	158 Å²	158	88%	0.883	86%	0.864	S	S	*	*			trans	-85.6	109.3	179.7	-171.5	-179.6	-175.9	179.6	0	108.2
6	D	51.4	Low	47	Very low	145 Å²	145	155.6 Å²	155.6	78%	0.775	86%	0.859	S	S	*	*			trans	-70.9	135.8	174.5	-71.3	-69	0	0	0	111.4
7	P	47.8	Very low	47.2	Very low	125 Å²	125	151.7 Å²	151.7	81%	0.812	85%	0.851	S	S	*	*			trans	-75.2	128	-179.8	26.5	-30	0	0	0	112.3	A9	P7-A9 PolarHBondContact O-N 3.43Å
8	K	44.9	Very low	47	Very low	208 Å²	208	150.3 Å²	150.3	90%	0.904	85%	0.85	S	S	*	*			trans	-66.6	115.8	176.9	-170.8	174.3	-178.5	177.4	0	110.5
9	A	48.3	Very low	47.4	Very low	84 Å²	84	147.1 Å²	147.1	69%	0.694	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-64.2	149.5	173.8	0	0	0	0	0	112.2	P7	P7-A9 PolarHBondContact O-N 3.43Å
10	P	42.7	Very low	47.2	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-74	141.1	-173.4	28.7	-33.3	0	0	0	112.9	K12	P10-K12 PolarHBondContact O-N 3.38Å
11	A	46.4	Very low	47.6	Very low	103 Å²	103	143.2 Å²	143.2	85%	0.851	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-62.8	125.3	176.5	0	0	0	0	0	111.4	K13	A11-K13 PolarHBondContact O-N 3.17Å
12	K	47.7	Very low	47.3	Very low	210 Å²	210	137.3 Å²	137.3	91%	0.913	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.5	170.2	-89	-177.8	173.1	-178.4	0	109.7	P10 A14	P10-K12 PolarHBondContact O-N 3.38Å; K12-A14 PolarHBondContact O-N 2.96Å
13	K	43.4	Very low	47.5	Very low	206 Å²	206	137.1 Å²	137.1	90%	0.896	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.1	127.3	166.5	-116	174.6	175.1	-179.3	0	108.9	A11	A11-K13 PolarHBondContact O-N 3.17Å
14	A	46.4	Very low	47.1	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.6	130.7	169.4	0	0	0	0	0	109.3	K12	K12-A14 PolarHBondContact O-N 2.96Å
15	E	47.6	Very low	47.1	Very low	185 Å²	185	136 Å²	136	86%	0.864	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.7	139.2	175.8	-153.5	167.1	103.1	0	0	109.3
16	P	44.4	Very low	46.9	Very low	120 Å²	120	132.4 Å²	132.4	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.2	137.6	179	2.2	10.5	0	0	0	110.9
17	A	50.4	Low	47	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-59.2	145.8	173.8	0	0	0	0	0	111.5
18	P	43.7	Very low	46.9	Very low	127 Å²	127	129.7 Å²	129.7	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.1	139.3	179.3	26.7	-31.8	0	0	0	110.8
19	A	54.4	Low	47.4	Very low	89 Å²	89	124 Å²	124	74%	0.736	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-60.9	145	177.3	0	0	0	0	0	111.4
20	P	44.3	Very low	47.5	Very low	123 Å²	123	126 Å²	126	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.8	140.1	176	26	-31.5	0	0	0	110.5
21	A	54.4	Low	48	Very low	90 Å²	90	124.7 Å²	124.7	74%	0.744	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-60.5	145.8	177.7	0	0	0	0	0	110.6	A23	A21-A23 PolarHBondContact O-N 3.45Å
22	P	42.6	Very low	48.1	Very low	128 Å²	128	123.9 Å²	123.9	83%	0.831	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.6	133.4	176.3	25.1	-31.5	0	0	0	110
23	A	49.1	Very low	48.2	Very low	88 Å²	88	116.5 Å²	116.5	73%	0.727	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.8	143.5	175	0	0	0	0	0	110.3	A21 E25	A21-A23 PolarHBondContact O-N 3.45Å; A23-E25 PolarHBondContact O-N 2.88Å
24	P	41.6	Very low	48.3	Very low	124 Å²	124	112 Å²	112	81%	0.805	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59	135.7	175.5	23.6	-31.3	0	0	0	110.2
25	E	51.1	Low	48.9	Very low	184 Å²	184	110.5 Å²	110.5	86%	0.86	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-53.9	139.4	177.1	-73.9	176.5	108.1	0	0	110.8	A23 A27	A23-E25 PolarHBondContact O-N 2.88Å; E25-A27 PolarHBondContact O-N 2.98Å
26	P	42.5	Very low	49.8	Very low	127 Å²	127	104.2 Å²	104.2	83%	0.825	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.6	129.2	177.7	24.5	-31.3	0	0	0	109.7
27	A	53.7	Low	51.3	Low	87 Å²	87	102.8 Å²	102.8	72%	0.719	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-51.4	145.2	174	0	0	0	0	0	111.1	E25 A29	E25-A27 PolarHBondContact O-N 2.98Å; A27-A29 PolarHBondContact O-N 3.36Å
28	P	46	Very low	52.6	Low	125 Å²	125	100.1 Å²	100.1	81%	0.812	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-56.2	132.1	179.1	21.8	-31.1	0	0	0	110.3
29	A	55.5	Low	54	Low	90 Å²	90	99.2 Å²	99.2	74%	0.744	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-52.3	136.8	179.1	0	0	0	0	0	110.7	A27 A31	A27-A29 PolarHBondContact O-N 3.36Å; A29-A31 PolarHBondContact O-N 3.44Å
30	P	49.5	Very low	55.1	Low	125 Å²	125	99.2 Å²	99.2	81%	0.812	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-60.3	137.8	176.6	23.4	-30.4	0	0	0	110.1	A32	P30-A32 PolarHBondContact O-N 3.45Å
31	A	52.8	Low	57	Low	98 Å²	98	94.9 Å²	94.9	81%	0.81	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-48.9	137.7	178.7	0	0	0	0	0	111.4	A29 A33	A29-A31 PolarHBondContact O-N 3.44Å; A31-A33 PolarHBondContact O-N 2.94Å
32	A	49.6	Very low	58.5	Low	86 Å²	86	97.5 Å²	97.5	71%	0.711	64%	0.644	S	S	*	*			trans	-44.6	127.1	178.6	0	0	0	0	0	110.8	P30	P30-A32 PolarHBondContact O-N 3.45Å
33	A	48.3	Very low	60.6	Low	56 Å²	56	94.5 Å²	94.5	46%	0.463	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-53.1	140.6	173	0	0	0	0	0	109.3	A31 A35 N95	A31-A33 PolarHBondContact O-N 2.94Å; A33-A35 PolarHBondContact O-N 2.91Å; A33-N95 PolarHBondContact O-ND2 2.91Å
34	P	46.9	Very low	62.5	Low	112 Å²	112	95.6 Å²	95.6	73%	0.727	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-58	128.9	-176.3	23.1	-32	0	0	0	109.7
35	A	58.6	Low	64.9	Low	67 Å²	67	90.9 Å²	90.9	55%	0.554	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-55.4	143.8	175	0	0	0	0	0	109.9	A33 D37	A33-A35 PolarHBondContact O-N 2.91Å; A35-D37 PolarHBondContact O-N 3.42Å
36	I	66.9	Low	66.9	Low	53 Å²	53	84.7 Å²	84.7	27%	0.272	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-67.2	126	172.8	-65.9	171.5	0	0	0	107.1	L38 K91 L92	I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 HydrophobicContact CG2-CD2 3.99Å; I36-L38 HydrophobicContact CG2-CG 4.49Å; I36-L38 PolarHBondContact O-N 3.16Å; I36-K91 HydrophobicContact CD1-CB 4.4Å; I36-K91 HydrophobicContact CD1-CD 3.76Å; I36-K91 HydrophobicContact CD1-CG 3.84Å; I36-K91 HydrophobicContact CG1-CD 4Å; I36-K91 HydrophobicContact CG1-CG 3.94Å; I36-L92 HydrophobicContact CD1-CD2 3.69Å; I36-L92 HydrophobicContact CD1-CG 4.3Å
37	D	75.5	Confident	69.3	Low	91 Å²	91	81.9 Å²	81.9	49%	0.487	54%	0.542	S	S	.	.			trans	-72.6	91.7	171.3	175.3	28	0	0	0	109.4	A35 S39 S40	A35-D37 PolarHBondContact O-N 3.42Å; D37-S39 PolarHBondContact O-N 2.91Å; D37-S39 WeakPolarHBondContact OD1-CB 3.32Å; D37-S39 PolarHBondContact OD1-N 3.36Å; D37-S39 VanDerWaalsContact OD1-N 3.1Å; D37-S39 PolarHBondContact OD1-OG 3.23Å; D37-S40 PolarHBondContact O-OG 3.47Å; D37-S40 WeakPolarHBondContact OD2-CB 3.5Å; D37-S40 PolarHBondContact OD2-OG 2.97Å
38	L	78.3	Confident	71.2	Confident	32 Å²	32	83.4 Å²	83.4	17%	0.168	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-69.3	-17.6	177.6	-66.6	175.9	0	0	0	112.7	I36 S40 V41 L92 P113 M114	I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 HydrophobicContact CG2-CD2 3.99Å; I36-L38 HydrophobicContact CG2-CG 4.49Å; I36-L38 PolarHBondContact O-N 3.16Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.91Å; L38-V41 HydrophobicContact CD2-CG2 4.44Å; L38-V41 PolarHBondContact O-N 3.43Å; L38-L92 WeakPolarHBondContact CD1-O 3.28Å; L38-L92 HydrophobicContact CD2-CD2 3.8Å; L38-P113 HydrophobicContact CB-CB 3.97Å; L38-P113 HydrophobicContact CD2-CB 4.26Å; L38-M114 HydrophobicContact CD1-CE 3.75Å; L38-M114 HydrophobicContact CD1-CG 3.6Å; L38-M114 HydrophobicContact CD2-CG 4.28Å
39	S	73.4	Confident	73.4	Confident	109 Å²	109	81 Å²	81	76%	0.762	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-73.5	-20.9	-176.4	74.6	0	0	0	0	113.5	D37	D37-S39 PolarHBondContact O-N 2.91Å; D37-S39 WeakPolarHBondContact OD1-CB 3.32Å; D37-S39 PolarHBondContact OD1-N 3.36Å; D37-S39 VanDerWaalsContact OD1-N 3.1Å; D37-S39 PolarHBondContact OD1-OG 3.23Å
40	S	77.5	Confident	75.3	Confident	88 Å²	88	78.7 Å²	78.7	62%	0.615	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-95	0.6	176.7	53	0	0	0	0	113.8	D37 L38 K42	D37-S40 PolarHBondContact O-OG 3.47Å; D37-S40 WeakPolarHBondContact OD2-CB 3.5Å; D37-S40 PolarHBondContact OD2-OG 2.97Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.91Å; S40-K42 PolarHBondContact O-N 2.73Å
41	V	84.1	Confident	77.4	Confident	33 Å²	33	77.1 Å²	77.1	20%	0.2	48%	0.476	C	S	.	.			trans	-73.9	117.5	177.9	179.7	0	0	0	0	109.6	L38 I43 P113 Q116 T117	L38-V41 HydrophobicContact CD2-CG2 4.44Å; L38-V41 PolarHBondContact O-N 3.43Å; V41-I43 HydrophobicContact CG1-CD1 4.39Å; V41-I43 PolarHBondContact O-N 3.44Å; V41-P113 HydrophobicContact CB-CB 4.22Å; V41-Q116 HydrophobicContact CG1-CB 3.83Å; V41-Q116 HydrophobicContact CG1-CG 3.66Å; V41-T117 WeakPolarHBondContact CG2-OG1 3.32Å
42	K	84.2	Confident	79.3	Confident	145 Å²	145	77.3 Å²	77.3	63%	0.63	46%	0.463	S	S	*	.			trans	-74.1	115.7	174.9	-171.6	-174.6	175.2	-153	0	109.5	S40 E44 Q116	S40-K42 PolarHBondContact O-N 2.73Å; K42-E44 HydrophobicContact CD-CG 4.11Å; K42-E44 WeakPolarHBondContact CD-OE1 3.48Å; K42-E44 WeakPolarHBondContact CE-OE1 3.3Å; K42-E44 HydrophobicContact CG-CG 4.04Å; K42-E44 IonicContact NZ-OE1 2.87Å; K42-E44 PolarHBondContact NZ-OE1 3.23Å; K42-Q116 WeakPolarHBondContact O-CG 3.39Å
43	I	88.4	Confident	81.5	Confident	64 Å²	64	74.6 Å²	74.6	33%	0.328	44%	0.435	S	S	.	.			trans	-76.6	121.5	174.4	-52.2	-54.5	0	0	0	109.1	V41 F45 L112 P113 Q116	V41-I43 HydrophobicContact CG1-CD1 4.39Å; V41-I43 PolarHBondContact O-N 3.44Å; I43-F45 HydrophobicContact CG2-CB 4.31Å; I43-F45 HydrophobicContact CG2-CD2 3.41Å; I43-F45 VanDerWaalsContact CG2-CD2 3.41Å; I43-F45 HydrophobicContact CG2-CE2 3.98Å; I43-F45 HydrophobicContact CG2-CG 4.08Å; I43-L112 HydrophobicContact CD1-CB 4.27Å; I43-P113 HydrophobicContact CD1-CB 4.21Å; I43-P113 HydrophobicContact CD1-CG 4.06Å; I43-Q116 HydrophobicContact CD1-CB 4.04Å; I43-Q116 HydrophobicContact CD1-CG 4.45Å
44	E	88.6	Confident	83.6	Confident	111 Å²	111	77.3 Å²	77.3	52%	0.519	43%	0.433	S	S	.	.			trans	-121.6	36.5	-176.5	-61.4	-170.1	131.5	0	0	111.3	K42	K42-E44 HydrophobicContact CD-CG 4.11Å; K42-E44 WeakPolarHBondContact CD-OE1 3.48Å; K42-E44 WeakPolarHBondContact CE-OE1 3.3Å; K42-E44 HydrophobicContact CG-CG 4.04Å; K42-E44 IonicContact NZ-OE1 2.87Å; K42-E44 PolarHBondContact NZ-OE1 3.23Å
45	F	91.4	Very high	85.8	Confident	25 Å²	25	78.6 Å²	78.6	11%	0.11	43%	0.429	C	S	.	.			trans	-92.5	138.8	175.5	-54.3	-44.6	0	0	0	111.4	I43 Q49 I50 Y53 L112 L115 Q116 I119	I43-F45 HydrophobicContact CG2-CB 4.31Å; I43-F45 HydrophobicContact CG2-CD2 3.41Å; I43-F45 VanDerWaalsContact CG2-CD2 3.41Å; I43-F45 HydrophobicContact CG2-CE2 3.98Å; I43-F45 HydrophobicContact CG2-CG 4.08Å; F45-Q49 HydrophobicContact CB-CB 4.2Å; F45-I50 HydrophobicContact CB-CD1 4.2Å; F45-I50 HydrophobicContact CB-CG1 3.67Å; F45-Y53 HydrophobicContact CB-CE2 4.42Å; F45-Y53 AromaticContact CD1-CE2 3.67Å; F45-Y53 HydrophobicContact CD1-CE2 3.67Å; F45-Y53 HydrophobicContact CD2-CD2 4.2Å; F45-Y53 AromaticContact CD2-CE2 3.94Å; F45-Y53 HydrophobicContact CD2-CE2 3.94Å; F45-Y53 AromaticContact CE1-CE2 3.79Å; F45-Y53 HydrophobicContact CE1-CE2 3.79Å; F45-Y53 HydrophobicContact CE2-CD2 4.37Å; F45-Y53 HydrophobicContact CE2-CE2 4.07Å; F45-Y53 HydrophobicContact CG-CD2 4.35Å; F45-Y53 AromaticContact CG-CE2 3.74Å; F45-Y53 HydrophobicContact CG-CE2 3.74Å; F45-Y53 AromaticContact CZ-CE2 3.98Å; F45-Y53 HydrophobicContact CZ-CE2 3.98Å; F45-L112 HydrophobicContact CD2-CD2 3.99Å; F45-L112 HydrophobicContact CE2-CB 4.45Å; F45-L112 HydrophobicContact CE2-CD2 4.01Å; F45-L115 HydrophobicContact CE2-CD2 4.45Å; F45-L115 HydrophobicContact CZ-CB 4.46Å; F45-L115 HydrophobicContact CZ-CD2 4.21Å; F45-L115 HydrophobicContact CZ-CG 4.14Å; F45-Q116 VanDerWaalsContact CE1-OE1 3.27Å; F45-Q116 HydrophobicContact CE2-CB 4.08Å; F45-Q116 HydrophobicContact CZ-CB 3.73Å; F45-Q116 HydrophobicContact CZ-CG 4.4Å; F45-Q116 VanDerWaalsContact CZ-OE1 3.32Å; F45-I119 HydrophobicContact CE1-CD1 3.56Å; F45-I119 HydrophobicContact CZ-CD1 3.84Å
46	S	93.4	Very high	87.4	Confident	54 Å²	54	76.2 Å²	76.2	38%	0.378	41%	0.409	S	S	.	.			trans	-69.2	162.8	167.8	61.7	0	0	0	0	111.4	D48 Q49 I50	S46-D48 VanDerWaalsContact C-N 3.28Å; S46-D48 PolarHBondContact O-N 3.44Å; S46-Q49 PolarHBondContact O-N 3.38Å; S46-Q49 VanDerWaalsContact OG-CG 3.28Å; S46-Q49 WeakPolarHBondContact OG-CG 3.14Å; S46-Q49 PolarHBondContact OG-N 3.25Å; S46-Q49 PolarHBondContact OG-OE1 2.84Å; S46-I50 WeakPolarHBondContact O-CG1 3.44Å; S46-I50 PolarHBondContact O-N 3.45Å
47	A	92.6	Very high	88.8	Confident	69 Å²	69	73.9 Å²	73.9	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-57.1	-43.7	177	0	0	0	0	0	111.7	Q49 I50 D51	A47-Q49 PolarHBondContact O-N 3.25Å; A47-I50 PolarHBondContact O-N 3.17Å; A47-I50 VanDerWaalsContact O-N 3.17Å; A47-D51 PolarHBondContact O-N 3.34Å
48	D	93.9	Very high	89.6	Confident	119 Å²	119	71.5 Å²	71.5	64%	0.636	39%	0.394	S	S	*	.	H	α-helix	trans	-61.1	-44.2	178.5	-57.9	-22.2	0	0	0	111.3	S46 I50 D51 D52	S46-D48 VanDerWaalsContact C-N 3.28Å; S46-D48 PolarHBondContact O-N 3.44Å; D48-I50 VanDerWaalsContact C-N 3.34Å; D48-I50 PolarHBondContact O-N 3.1Å; D48-D51 PolarHBondContact O-N 2.91Å; D48-D52 PolarHBondContact O-N 2.74Å
49	Q	93	Very high	90.4	Very high	73 Å²	73	76.5 Å²	76.5	34%	0.341	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-39.4	175.6	-74	171.3	-61.3	0	0	112.5	F45 S46 A47 D51 D52 Y53	F45-Q49 HydrophobicContact CB-CB 4.2Å; S46-Q49 PolarHBondContact O-N 3.38Å; S46-Q49 VanDerWaalsContact OG-CG 3.28Å; S46-Q49 WeakPolarHBondContact OG-CG 3.14Å; S46-Q49 PolarHBondContact OG-N 3.25Å; S46-Q49 PolarHBondContact OG-OE1 2.84Å; A47-Q49 PolarHBondContact O-N 3.25Å; Q49-D51 VanDerWaalsContact C-N 3.3Å; Q49-D52 PolarHBondContact O-N 2.69Å; Q49-Y53 HydrophobicContact CB-CE2 4.03Å; Q49-Y53 WeakPolarHBondContact O-CB 3.39Å; Q49-Y53 WeakPolarHBondContact O-CD1 3.45Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.36Å; Q49-Y53 PolarHBondContact O-N 3.24Å
50	I	94	Very high	91.3	Very high	43 Å²	43	73.8 Å²	73.8	22%	0.221	40%	0.395	C	S	.	.	H	α-helix	trans	-63.8	-41	177.7	-68.7	168.1	0	0	0	110.1	F45 S46 A47 D48 Y53 R54 F108	F45-I50 HydrophobicContact CB-CD1 4.2Å; F45-I50 HydrophobicContact CB-CG1 3.67Å; S46-I50 WeakPolarHBondContact O-CG1 3.44Å; S46-I50 PolarHBondContact O-N 3.45Å; A47-I50 PolarHBondContact O-N 3.17Å; A47-I50 VanDerWaalsContact O-N 3.17Å; D48-I50 VanDerWaalsContact C-N 3.34Å; D48-I50 PolarHBondContact O-N 3.1Å; I50-Y53 PolarHBondContact O-N 3.14Å; I50-R54 VanDerWaalsContact O-CB 3.3Å; I50-R54 WeakPolarHBondContact O-CB 3.45Å; I50-R54 PolarHBondContact O-N 2.78Å; I50-F108 HydrophobicContact CG2-CE1 3.96Å; I50-F108 HydrophobicContact CG2-CZ 4.19Å; I50-F108 WeakPolarHBondContact O-CZ 3.49Å
51	D	93.7	Very high	92	Very high	92 Å²	92	70.8 Å²	70.8	49%	0.492	37%	0.372	S	S	.	.	H	α-helix	trans	-66.5	-44.3	177.1	-77.1	-17.9	0	0	0	111.5	A47 D48 Q49 Y53 R54 E55	A47-D51 PolarHBondContact O-N 3.34Å; D48-D51 PolarHBondContact O-N 2.91Å; Q49-D51 VanDerWaalsContact C-N 3.3Å; D51-Y53 VanDerWaalsContact C-N 3.35Å; D51-Y53 PolarHBondContact O-N 3.13Å; D51-R54 WeakPolarHBondContact O-CB 3.32Å; D51-R54 PolarHBondContact O-N 2.88Å; D51-R54 VanDerWaalsContact O-N 3.16Å; D51-E55 PolarHBondContact O-N 3.2Å
52	D	93.2	Very high	92.3	Very high	101 Å²	101	79.9 Å²	79.9	54%	0.54	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-45.1	174.3	-71.3	-17	0	0	0	111.6	D48 Q49 R54 E55 A56	D48-D52 PolarHBondContact O-N 2.74Å; Q49-D52 PolarHBondContact O-N 2.69Å; D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 PolarHBondContact O-N 2.76Å; D52-E55 PolarHBondContact O-N 3.47Å; D52-A56 WeakPolarHBondContact O-CB 3.18Å; D52-A56 PolarHBondContact O-N 2.97Å
53	Y	94.6	Very high	92.5	Very high	29 Å²	29	77.9 Å²	77.9	11%	0.114	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-34.7	177.9	-61.2	-21.4	0	0	0	112.1	F45 Q49 I50 D51 F57 L80 L112 L115	F45-Y53 HydrophobicContact CB-CE2 4.42Å; F45-Y53 AromaticContact CD1-CE2 3.67Å; F45-Y53 HydrophobicContact CD1-CE2 3.67Å; F45-Y53 HydrophobicContact CD2-CD2 4.2Å; F45-Y53 AromaticContact CD2-CE2 3.94Å; F45-Y53 HydrophobicContact CD2-CE2 3.94Å; F45-Y53 AromaticContact CE1-CE2 3.79Å; F45-Y53 HydrophobicContact CE1-CE2 3.79Å; F45-Y53 HydrophobicContact CE2-CD2 4.37Å; F45-Y53 HydrophobicContact CE2-CE2 4.07Å; F45-Y53 HydrophobicContact CG-CD2 4.35Å; F45-Y53 AromaticContact CG-CE2 3.74Å; F45-Y53 HydrophobicContact CG-CE2 3.74Å; F45-Y53 AromaticContact CZ-CE2 3.98Å; F45-Y53 HydrophobicContact CZ-CE2 3.98Å; Q49-Y53 HydrophobicContact CB-CE2 4.03Å; Q49-Y53 WeakPolarHBondContact O-CB 3.39Å; Q49-Y53 WeakPolarHBondContact O-CD1 3.45Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.36Å; Q49-Y53 PolarHBondContact O-N 3.24Å; I50-Y53 PolarHBondContact O-N 3.14Å; D51-Y53 VanDerWaalsContact C-N 3.35Å; D51-Y53 PolarHBondContact O-N 3.13Å; Y53-F57 VanDerWaalsContact O-CB 3.22Å; Y53-F57 WeakPolarHBondContact O-CB 3.22Å; Y53-F57 PolarHBondContact O-N 3.01Å; Y53-L80 HydrophobicContact CD1-CD1 3.84Å; Y53-L80 HydrophobicContact CD1-CD2 3.6Å; Y53-L80 HydrophobicContact CD1-CG 4.29Å; Y53-L80 HydrophobicContact CE1-CD1 4.43Å; Y53-L80 HydrophobicContact CE1-CD2 4.14Å; Y53-L80 HydrophobicContact CG-CD1 4.25Å; Y53-L112 HydrophobicContact CD2-CD2 4.19Å; Y53-L115 HydrophobicContact CD1-CD2 4.16Å; Y53-L115 HydrophobicContact CD2-CD2 3.59Å; Y53-L115 HydrophobicContact CE1-CD2 4.23Å; Y53-L115 HydrophobicContact CE2-CD2 3.66Å; Y53-L115 HydrophobicContact CG-CD2 3.85Å
54	R	93.8	Very high	92.5	Very high	114 Å²	114	77.7 Å²	77.7	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-67.9	-42	176.6	-177	176.5	-75.9	161.8	-5.9	111	I50 D51 D52 F57 G58 F108 E109	I50-R54 VanDerWaalsContact O-CB 3.3Å; I50-R54 WeakPolarHBondContact O-CB 3.45Å; I50-R54 PolarHBondContact O-N 2.78Å; D51-R54 WeakPolarHBondContact O-CB 3.32Å; D51-R54 PolarHBondContact O-N 2.88Å; D51-R54 VanDerWaalsContact O-N 3.16Å; D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 PolarHBondContact O-N 2.76Å; R54-F57 PolarHBondContact O-N 2.99Å; R54-G58 PolarHBondContact O-N 2.91Å; R54-F108 VanDerWaalsContact CA-CE2 3.42Å; R54-F108 HydrophobicContact CB-CD2 4.44Å; R54-F108 HydrophobicContact CB-CE1 4Å; R54-F108 HydrophobicContact CB-CE2 3.91Å; R54-F108 HydrophobicContact CB-CZ 3.64Å; R54-F108 HydrophobicContact CG-CE1 4.43Å; R54-F108 HydrophobicContact CG-CZ 4.45Å; R54-E109 IonicContact NH2-OE1 2.84Å
55	E	92.9	Very high	92.7	Very high	139 Å²	139	75.5 Å²	75.5	65%	0.65	41%	0.408	S	S	*	.	H	α-helix	trans	-61.4	-50.1	174.8	-174.1	174.9	-174.5	0	0	110.7	D51 D52 F57 G58 L59	D51-E55 PolarHBondContact O-N 3.2Å; D52-E55 PolarHBondContact O-N 3.47Å; E55-F57 VanDerWaalsContact C-N 3.33Å; E55-F57 PolarHBondContact O-N 3.27Å; E55-G58 PolarHBondContact O-N 3.26Å; E55-G58 VanDerWaalsContact O-N 3.1Å; E55-L59 PolarHBondContact O-N 3.32Å
56	A	93.1	Very high	92.7	Very high	16 Å²	16	80 Å²	80	13%	0.132	43%	0.433	C	S	.	.	H	α-helix	trans	-58.3	-43.8	176.7	0	0	0	0	0	112.1	D52 G58 L59 F60 L80	D52-A56 WeakPolarHBondContact O-CB 3.18Å; D52-A56 PolarHBondContact O-N 2.97Å; A56-G58 VanDerWaalsContact C-N 3.32Å; A56-G58 PolarHBondContact O-N 3.35Å; A56-L59 WeakPolarHBondContact O-CB 3.19Å; A56-L59 PolarHBondContact O-N 3.32Å; A56-F60 VanDerWaalsContact O-CD2 3.32Å; A56-F60 WeakPolarHBondContact O-CD2 3.33Å; A56-L80 HydrophobicContact CB-CD2 3.53Å; A56-L80 HydrophobicContact CB-CG 4.29Å
57	F	94.4	Very high	92.7	Very high	5 Å²	5	81.3 Å²	81.3	2%	0.022	43%	0.432	C	S	.	.	H	α-helix	trans	-61.1	-40.7	175.7	-173.3	-87.1	0	0	0	111.9	Y53 R54 E55 L59 F60 D61 V68 I76 V106 F108 F111	Y53-F57 VanDerWaalsContact O-CB 3.22Å; Y53-F57 WeakPolarHBondContact O-CB 3.22Å; Y53-F57 PolarHBondContact O-N 3.01Å; R54-F57 PolarHBondContact O-N 2.99Å; E55-F57 VanDerWaalsContact C-N 3.33Å; E55-F57 PolarHBondContact O-N 3.27Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.06Å; F57-F60 PolarHBondContact O-N 3.28Å; F57-F60 VanDerWaalsContact O-N 3.13Å; F57-D61 PolarHBondContact O-N 3.16Å; F57-V68 HydrophobicContact CD1-CG1 3.92Å; F57-V68 HydrophobicContact CD2-CG1 4.14Å; F57-V68 HydrophobicContact CD2-CG2 4.1Å; F57-V68 HydrophobicContact CE1-CB 4.44Å; F57-V68 HydrophobicContact CE1-CG1 3.63Å; F57-V68 HydrophobicContact CE1-CG2 4.32Å; F57-V68 HydrophobicContact CE2-CB 4.15Å; F57-V68 HydrophobicContact CE2-CG1 3.87Å; F57-V68 HydrophobicContact CE2-CG2 3.27Å; F57-V68 HydrophobicContact CG-CG1 4.17Å; F57-V68 HydrophobicContact CZ-CB 3.97Å; F57-V68 HydrophobicContact CZ-CG1 3.61Å; F57-V68 HydrophobicContact CZ-CG2 3.42Å; F57-V68 VanDerWaalsContact CZ-CG2 3.42Å; F57-I76 HydrophobicContact CD2-CD1 4.27Å; F57-V106 HydrophobicContact CE2-CG1 4.34Å; F57-V106 HydrophobicContact CZ-CG1 4.42Å; F57-F108 HydrophobicContact CB-CD2 3.83Å; F57-F108 HydrophobicContact CB-CE2 4.2Å; F57-F108 HydrophobicContact CD1-CB 4.21Å; F57-F108 HydrophobicContact CD1-CD2 4.16Å; F57-F108 HydrophobicContact CD2-CD2 4.05Å; F57-F108 HydrophobicContact CE1-CB 4.11Å; F57-F108 AromaticContact CG-CD2 3.77Å; F57-F108 HydrophobicContact CG-CD2 3.77Å; F57-F108 HydrophobicContact CZ-CB 4.38Å; F57-F111 HydrophobicContact CD2-CB 4.17Å; F57-F111 AromaticContact CD2-CD1 3.86Å; F57-F111 HydrophobicContact CD2-CD1 3.86Å; F57-F111 HydrophobicContact CD2-CE1 4.43Å; F57-F111 AromaticContact CD2-CG 3.97Å; F57-F111 HydrophobicContact CD2-CG 3.97Å; F57-F111 HydrophobicContact CE2-CB 3.73Å; F57-F111 HydrophobicContact CE2-CD1 4.29Å; F57-F111 AromaticContact CE2-CG 3.94Å; F57-F111 HydrophobicContact CE2-CG 3.94Å
58	G	93.7	Very high	92.9	Very high	40 Å²	40	78 Å²	78	41%	0.412	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-31	177.1	0	0	0	0	0	113.8	R54 E55 A56 F60 D61	R54-G58 PolarHBondContact O-N 2.91Å; E55-G58 PolarHBondContact O-N 3.26Å; E55-G58 VanDerWaalsContact O-N 3.1Å; A56-G58 VanDerWaalsContact C-N 3.32Å; A56-G58 PolarHBondContact O-N 3.35Å; G58-F60 PolarHBondContact O-N 3.05Å; G58-D61 PolarHBondContact O-N 3.27Å
59	L	93.8	Very high	92.9	Very high	138 Å²	138	73.1 Å²	73.1	72%	0.723	38%	0.381	S	S	*	.	H	α-helix	trans	-64	-23.8	175.9	-63.8	176.1	0	0	0	113.2	E55 A56 F57	E55-L59 PolarHBondContact O-N 3.32Å; A56-L59 WeakPolarHBondContact O-CB 3.19Å; A56-L59 PolarHBondContact O-N 3.32Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.06Å
60	F	93.1	Very high	93	Very high	51 Å²	51	71.6 Å²	71.6	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-95.9	-13.6	-180	-71.6	-103.8	0	0	0	113.1	A56 F57 G58 R62 V68 Q72 D75 I76 A79	A56-F60 VanDerWaalsContact O-CD2 3.32Å; A56-F60 WeakPolarHBondContact O-CD2 3.33Å; F57-F60 PolarHBondContact O-N 3.28Å; F57-F60 VanDerWaalsContact O-N 3.13Å; G58-F60 PolarHBondContact O-N 3.05Å; F60-R62 PolarHBondContact O-N 2.98Å; F60-V68 HydrophobicContact CB-CG1 3.94Å; F60-Q72 HydrophobicContact CD1-CB 4.34Å; F60-Q72 PolarHBondContact O-NE2 2.95Å; F60-D75 HydrophobicContact CE1-CB 3.88Å; F60-D75 HydrophobicContact CZ-CB 4.46Å; F60-I76 HydrophobicContact CB-CD1 3.84Å; F60-I76 HydrophobicContact CB-CG1 3.9Å; F60-I76 HydrophobicContact CD1-CD1 4.36Å; F60-I76 HydrophobicContact CD1-CG1 3.68Å; F60-I76 HydrophobicContact CD2-CD1 4.35Å; F60-I76 HydrophobicContact CD2-CG1 3.53Å; F60-I76 HydrophobicContact CE1-CG1 4Å; F60-I76 HydrophobicContact CE2-CG1 3.85Å; F60-I76 HydrophobicContact CG-CD1 3.96Å; F60-I76 HydrophobicContact CG-CG1 3.42Å; F60-I76 VanDerWaalsContact CG-CG1 3.42Å; F60-I76 HydrophobicContact CZ-CG1 4.07Å; F60-A79 HydrophobicContact CE2-CB 4.22Å; F60-A79 HydrophobicContact CZ-CB 4.17Å
61	D	93.1	Very high	93	Very high	25 Å²	25	73.8 Å²	73.8	13%	0.134	38%	0.384	C	S	.	.			trans	-75.2	94.3	175	-178.6	10.6	0	0	0	111	F57 G58 V63 G64 D65 N66 V68 R105	F57-D61 PolarHBondContact O-N 3.16Å; G58-D61 PolarHBondContact O-N 3.27Å; D61-V63 VanDerWaalsContact C-N 3.26Å; D61-V63 PolarHBondContact O-N 3Å; D61-V63 PolarHBondContact OD1-N 3.28Å; D61-G64 VanDerWaalsContact CG-N 3.26Å; D61-G64 PolarHBondContact OD1-N 2.98Å; D61-G64 VanDerWaalsContact OD2-C 3.25Å; D61-G64 WeakPolarHBondContact OD2-CA 3.39Å; D61-G64 PolarHBondContact OD2-N 3.26Å; D61-D65 PolarHBondContact OD2-N 3.45Å; D61-N66 WeakPolarHBondContact OD2-CA 3.46Å; D61-N66 PolarHBondContact OD2-N 2.87Å; D61-V68 HydrophobicContact CB-CG1 4.5Å; D61-R105 IonicContact OD1-NH2 3.13Å; D61-R105 PolarHBondContact OD1-NH2 2.68Å; D61-R105 VanDerWaalsContact OD1-NH2 3.14Å
62	R	88.9	Confident	93	Very high	224 Å²	224	70.6 Å²	70.6	85%	0.845	37%	0.366	S	S	*	.	S	Bend	trans	-76.1	-13.3	178	-61.9	-177.6	179.8	176.5	1.1	113.7	F60	F60-R62 PolarHBondContact O-N 2.98Å
63	V	89.4	Confident	93.1	Very high	104 Å²	104	65.8 Å²	65.8	63%	0.63	34%	0.341	S	S	*	.	S	Bend	trans	-102.4	-27.9	-172.9	-176.2	0	0	0	0	111.3	D61	D61-V63 VanDerWaalsContact C-N 3.26Å; D61-V63 PolarHBondContact O-N 3Å; D61-V63 PolarHBondContact OD1-N 3.28Å
64	G	89.1	Confident	93.1	Very high	60 Å²	60	64.9 Å²	64.9	62%	0.619	34%	0.34	S	S	*	.	S	Bend	trans	82.7	22.7	179.7	0	0	0	0	0	113.7	D61	D61-G64 VanDerWaalsContact CG-N 3.26Å; D61-G64 PolarHBondContact OD1-N 2.98Å; D61-G64 VanDerWaalsContact OD2-C 3.25Å; D61-G64 WeakPolarHBondContact OD2-CA 3.39Å; D61-G64 PolarHBondContact OD2-N 3.26Å
65	D	92.1	Very high	93.1	Very high	64 Å²	64	63.2 Å²	63.2	34%	0.342	34%	0.339	S	S	.	.	S	Bend	trans	-104.6	15.6	178	70.8	-29.3	0	0	0	113.5	D61 K67 R105	D61-D65 PolarHBondContact OD2-N 3.45Å; D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 3.22Å; D65-R105 IonicContact OD1-CZ 3.42Å; D65-R105 IonicContact OD1-NH1 2.68Å; D65-R105 PolarHBondContact OD1-NH1 2.86Å; D65-R105 IonicContact OD1-NH2 3.77Å; D65-R105 PolarHBondContact OD1-NH2 3.39Å; D65-R105 IonicContact OD2-CZ 3.74Å; D65-R105 IonicContact OD2-NH1 3.83Å; D65-R105 PolarHBondContact OD2-NH1 2.97Å
66	N	90.4	Very high	93.2	Very high	120 Å²	120	56.6 Å²	56.6	64%	0.642	31%	0.308	S	S	*	.	S	Bend	trans	60.5	35.5	-178.1	-60.5	-86.3	0	0	0	113.2	D61	D61-N66 WeakPolarHBondContact OD2-CA 3.46Å; D61-N66 PolarHBondContact OD2-N 2.87Å
67	K	94.8	Very high	93.3	Very high	82 Å²	82	55.8 Å²	55.8	36%	0.357	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153	177.9	-62.9	-179.5	-177.3	178	0	110.9	D65 R105 V106 E107	D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 3.22Å; K67-R105 HydrophobicContact CB-CB 4.09Å; K67-R105 PolarHBondContact O-NH2 2.91Å; K67-V106 CarbonylContact C-O 3.56Å; K67-V106 WeakPolarHBondContact CA-O 3.17Å; K67-V106 WeakPolarHBondContact CB-O 3.36Å; K67-E107 HydrophobicContact CG-CB 4.33Å
68	V	95.3	Very high	93.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.6	173.8	-59.7	0	0	0	0	110	F57 F60 D61 I73 I76 R105 V106	F57-V68 HydrophobicContact CD1-CG1 3.92Å; F57-V68 HydrophobicContact CD2-CG1 4.14Å; F57-V68 HydrophobicContact CD2-CG2 4.1Å; F57-V68 HydrophobicContact CE1-CB 4.44Å; F57-V68 HydrophobicContact CE1-CG1 3.63Å; F57-V68 HydrophobicContact CE1-CG2 4.32Å; F57-V68 HydrophobicContact CE2-CB 4.15Å; F57-V68 HydrophobicContact CE2-CG1 3.87Å; F57-V68 HydrophobicContact CE2-CG2 3.27Å; F57-V68 HydrophobicContact CG-CG1 4.17Å; F57-V68 HydrophobicContact CZ-CB 3.97Å; F57-V68 HydrophobicContact CZ-CG1 3.61Å; F57-V68 HydrophobicContact CZ-CG2 3.42Å; F57-V68 VanDerWaalsContact CZ-CG2 3.42Å; F60-V68 HydrophobicContact CB-CG1 3.94Å; D61-V68 HydrophobicContact CB-CG1 4.5Å; V68-I73 HydrophobicContact CG2-CD1 3.62Å; V68-I76 HydrophobicContact CB-CD1 3.88Å; V68-I76 HydrophobicContact CG1-CD1 3.85Å; V68-I76 HydrophobicContact CG2-CD1 3.6Å; V68-R105 CarbonylContact O-C 3.51Å; V68-R105 WeakPolarHBondContact O-CA 3.38Å; V68-R105 WeakPolarHBondContact O-CB 3.31Å; V68-V106 HydrophobicContact CG2-CG1 3.77Å; V68-V106 PolarHBondContact N-O 3.09Å; V68-V106 PolarHBondContact O-N 3.1Å
69	A	94.7	Very high	93.2	Very high	16 Å²	16	61.2 Å²	61.2	13%	0.132	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	150.1	178.5	0	0	0	0	0	111.1	N71 Q72 R105	A69-N71 WeakPolarHBondContact CB-OD1 3.33Å; A69-N71 PolarHBondContact O-N 3.43Å; A69-Q72 HydrophobicContact CB-CG 4.31Å; A69-Q72 WeakPolarHBondContact O-CB 3.42Å; A69-Q72 PolarHBondContact O-N 3.43Å; A69-R105 HydrophobicContact CB-CG 4.47Å
70	Y	95.2	Very high	93.2	Very high	41 Å²	41	56.3 Å²	56.3	16%	0.161	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-56.5	-37.6	-178.8	-87.8	29.1	0	0	0	112.5	Q72 I73 L93 P96 K104 V106	Y70-Q72 PolarHBondContact O-N 3.06Å; Y70-I73 WeakPolarHBondContact O-CB 3.43Å; Y70-I73 WeakPolarHBondContact O-CG1 3.34Å; Y70-I73 PolarHBondContact O-N 3.37Å; Y70-L93 HydrophobicContact CD1-CD2 4.23Å; Y70-L93 HydrophobicContact CD2-CB 4.16Å; Y70-L93 HydrophobicContact CD2-CD1 4Å; Y70-L93 HydrophobicContact CD2-CD2 3.97Å; Y70-L93 HydrophobicContact CD2-CG 4.27Å; Y70-L93 HydrophobicContact CE1-CD2 4.3Å; Y70-L93 HydrophobicContact CE2-CB 4.14Å; Y70-L93 HydrophobicContact CE2-CD2 4.02Å; Y70-L93 HydrophobicContact CG-CD1 4.15Å; Y70-L93 HydrophobicContact CG-CD2 4.06Å; Y70-P96 HydrophobicContact CD2-CB 4.05Å; Y70-P96 HydrophobicContact CD2-CG 4.24Å; Y70-P96 HydrophobicContact CE2-CB 4.33Å; Y70-K104 HydrophobicContact CD1-CB 3.8Å; Y70-K104 WeakPolarHBondContact CD1-O 3.48Å; Y70-K104 HydrophobicContact CD2-CB 3.93Å; Y70-K104 HydrophobicContact CE1-CB 3.71Å; Y70-K104 HydrophobicContact CE2-CB 3.86Å; Y70-K104 HydrophobicContact CE2-CD 3.96Å; Y70-K104 HydrophobicContact CG-CB 3.92Å; Y70-K104 PolarHBondContact N-O 3.2Å; Y70-V106 HydrophobicContact CD1-CB 4.5Å; Y70-V106 HydrophobicContact CE1-CB 4.09Å
71	N	93.5	Very high	93	Very high	88 Å²	88	56.4 Å²	56.4	47%	0.471	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.3	176.4	65.7	-11.3	0	0	0	114.8	A69 M101	A69-N71 WeakPolarHBondContact CB-OD1 3.33Å; A69-N71 PolarHBondContact O-N 3.43Å; N71-M101 HydrophobicContact CB-CE 4.42Å; N71-M101 PolarHBondContact N-O 2.94Å
72	Q	94.4	Very high	93	Very high	25 Å²	25	56.5 Å²	56.5	12%	0.117	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-90.5	-11.4	178.3	-61.3	177.6	-73.9	0	0	112.9	F60 A69 Y70 A74 D75 I76	F60-Q72 HydrophobicContact CD1-CB 4.34Å; F60-Q72 PolarHBondContact O-NE2 2.95Å; A69-Q72 HydrophobicContact CB-CG 4.31Å; A69-Q72 WeakPolarHBondContact O-CB 3.42Å; A69-Q72 PolarHBondContact O-N 3.43Å; Y70-Q72 PolarHBondContact O-N 3.06Å; Q72-A74 VanDerWaalsContact C-N 3.34Å; Q72-A74 PolarHBondContact O-N 2.92Å; Q72-D75 PolarHBondContact O-N 3.15Å; Q72-D75 VanDerWaalsContact O-N 3.14Å; Q72-I76 HydrophobicContact CB-CD1 4.27Å; Q72-I76 WeakPolarHBondContact O-CG1 3.12Å; Q72-I76 PolarHBondContact O-N 3.36Å
73	I	95.4	Very high	93.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-41.5	-171.2	-64.3	-68.7	0	0	0	112.2	V68 Y70 D75 I76 M77 V89 L93 V106 F111	V68-I73 HydrophobicContact CG2-CD1 3.62Å; Y70-I73 WeakPolarHBondContact O-CB 3.43Å; Y70-I73 WeakPolarHBondContact O-CG1 3.34Å; Y70-I73 PolarHBondContact O-N 3.37Å; I73-D75 VanDerWaalsContact C-N 3.31Å; I73-D75 PolarHBondContact O-N 3.5Å; I73-I76 PolarHBondContact O-N 2.97Å; I73-M77 HydrophobicContact CG2-CE 3.79Å; I73-M77 HydrophobicContact CG2-SD 4.17Å; I73-M77 WeakPolarHBondContact O-CG 3.43Å; I73-M77 PolarHBondContact O-N 3Å; I73-V89 HydrophobicContact CB-CG1 4.14Å; I73-V89 HydrophobicContact CG2-CG1 3.88Å; I73-L93 HydrophobicContact CG1-CD2 4.26Å; I73-V106 HydrophobicContact CD1-CG1 3.38Å; I73-V106 HydrophobicContact CG1-CG1 4.39Å; I73-F111 HydrophobicContact CD1-CD2 3.89Å; I73-F111 HydrophobicContact CD1-CE2 4.43Å; I73-F111 HydrophobicContact CG2-CD2 4.36Å; I73-F111 HydrophobicContact CG2-CE2 4.27Å
74	A	94.4	Very high	93.3	Very high	11 Å²	11	47.3 Å²	47.3	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-40.2	177.9	0	0	0	0	0	111.5	Q72 M77 R78 V89	Q72-A74 VanDerWaalsContact C-N 3.34Å; Q72-A74 PolarHBondContact O-N 2.92Å; A74-M77 PolarHBondContact O-N 3.18Å; A74-R78 VanDerWaalsContact CB-NH1 3.28Å; A74-R78 VanDerWaalsContact O-CG 3.29Å; A74-R78 WeakPolarHBondContact O-CG 3.29Å; A74-R78 PolarHBondContact O-N 3.38Å; A74-V89 HydrophobicContact CB-CB 4.49Å; A74-V89 HydrophobicContact CB-CG1 4.29Å; A74-V89 HydrophobicContact CB-CG2 3.91Å
75	D	94	Very high	93.5	Very high	78 Å²	78	47.2 Å²	47.2	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-70.9	-36.8	-179	-60.7	-24.1	0	0	0	112	F60 Q72 I73 R78 A79	F60-D75 HydrophobicContact CE1-CB 3.88Å; F60-D75 HydrophobicContact CZ-CB 4.46Å; Q72-D75 PolarHBondContact O-N 3.15Å; Q72-D75 VanDerWaalsContact O-N 3.14Å; I73-D75 VanDerWaalsContact C-N 3.31Å; I73-D75 PolarHBondContact O-N 3.5Å; D75-R78 PolarHBondContact O-N 3.39Å; D75-R78 IonicContact OD1-NH1 3.6Å; D75-R78 PolarHBondContact OD1-NH1 3.04Å; D75-A79 WeakPolarHBondContact O-CB 3.46Å; D75-A79 PolarHBondContact O-N 3.41Å
76	I	95.3	Very high	93.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-45.2	173.5	-63.1	162.4	0	0	0	110.1	F57 F60 V68 Q72 I73 R78 A79 L80 F111	F57-I76 HydrophobicContact CD2-CD1 4.27Å; F60-I76 HydrophobicContact CB-CD1 3.84Å; F60-I76 HydrophobicContact CB-CG1 3.9Å; F60-I76 HydrophobicContact CD1-CD1 4.36Å; F60-I76 HydrophobicContact CD1-CG1 3.68Å; F60-I76 HydrophobicContact CD2-CD1 4.35Å; F60-I76 HydrophobicContact CD2-CG1 3.53Å; F60-I76 HydrophobicContact CE1-CG1 4Å; F60-I76 HydrophobicContact CE2-CG1 3.85Å; F60-I76 HydrophobicContact CG-CD1 3.96Å; F60-I76 HydrophobicContact CG-CG1 3.42Å; F60-I76 VanDerWaalsContact CG-CG1 3.42Å; F60-I76 HydrophobicContact CZ-CG1 4.07Å; V68-I76 HydrophobicContact CB-CD1 3.88Å; V68-I76 HydrophobicContact CG1-CD1 3.85Å; V68-I76 HydrophobicContact CG2-CD1 3.6Å; Q72-I76 HydrophobicContact CB-CD1 4.27Å; Q72-I76 WeakPolarHBondContact O-CG1 3.12Å; Q72-I76 PolarHBondContact O-N 3.36Å; I73-I76 PolarHBondContact O-N 2.97Å; I76-R78 VanDerWaalsContact C-N 3.29Å; I76-R78 PolarHBondContact O-N 3.28Å; I76-A79 PolarHBondContact O-N 3.1Å; I76-L80 HydrophobicContact CG2-CD1 4.18Å; I76-L80 WeakPolarHBondContact O-CG 3.36Å; I76-L80 PolarHBondContact O-N 2.95Å; I76-F111 HydrophobicContact CB-CE2 4.44Å; I76-F111 HydrophobicContact CB-CZ 4.32Å; I76-F111 HydrophobicContact CG2-CE1 4.04Å; I76-F111 HydrophobicContact CG2-CE2 4.09Å; I76-F111 HydrophobicContact CG2-CZ 3.54Å
77	M	94.9	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-39.1	176.8	-71.1	175.5	173.2	0	0	112	I73 A74 L80 G81 Q82 P84 V89 L92 F111 M114 L115 I118	I73-M77 HydrophobicContact CG2-CE 3.79Å; I73-M77 HydrophobicContact CG2-SD 4.17Å; I73-M77 WeakPolarHBondContact O-CG 3.43Å; I73-M77 PolarHBondContact O-N 3Å; A74-M77 PolarHBondContact O-N 3.18Å; M77-L80 CarbonylContact O-C 3.59Å; M77-L80 PolarHBondContact O-N 3.19Å; M77-G81 PolarHBondContact O-N 2.77Å; M77-Q82 CarbonylContact C-O 3.6Å; M77-Q82 HydrophobicContact CB-CB 4.48Å; M77-Q82 WeakPolarHBondContact O-CB 3.45Å; M77-Q82 PolarHBondContact O-N 2.57Å; M77-P84 HydrophobicContact CB-CG 3.83Å; M77-P84 HydrophobicContact SD-CB 4.42Å; M77-P84 HydrophobicContact SD-CG 3.96Å; M77-V89 HydrophobicContact SD-CG2 4.18Å; M77-L92 HydrophobicContact CE-CD1 4.09Å; M77-F111 HydrophobicContact CE-CD2 4.45Å; M77-F111 HydrophobicContact CE-CE2 3.89Å; M77-F111 HydrophobicContact CG-CE2 3.87Å; M77-F111 HydrophobicContact CG-CZ 4.1Å; M77-M114 HydrophobicContact CE-CB 3.59Å; M77-L115 HydrophobicContact CG-CD1 4.32Å; M77-I118 HydrophobicContact CE-CG1 4.08Å; M77-I118 HydrophobicContact SD-CG1 3.8Å
78	R	93.6	Very high	93.5	Very high	91 Å²	91	47.3 Å²	47.3	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-42.9	173.6	-70.3	170	-169.9	126.7	3.8	112.6	A74 D75 I76 L80 G81 Q82 P84 N86	A74-R78 VanDerWaalsContact CB-NH1 3.28Å; A74-R78 VanDerWaalsContact O-CG 3.29Å; A74-R78 WeakPolarHBondContact O-CG 3.29Å; A74-R78 PolarHBondContact O-N 3.38Å; D75-R78 PolarHBondContact O-N 3.39Å; D75-R78 IonicContact OD1-NH1 3.6Å; D75-R78 PolarHBondContact OD1-NH1 3.04Å; I76-R78 VanDerWaalsContact C-N 3.29Å; I76-R78 PolarHBondContact O-N 3.28Å; R78-L80 PolarHBondContact O-N 3.46Å; R78-G81 PolarHBondContact O-N 2.75Å; R78-Q82 WeakPolarHBondContact CA-O 3.41Å; R78-Q82 PolarHBondContact N-O 2.98Å; R78-P84 PolarHBondContact NH2-O 3.34Å; R78-N86 PolarHBondContact NH2-OD1 3.34Å
79	A	92.9	Very high	93.5	Very high	67 Å²	67	47.6 Å²	47.6	55%	0.554	26%	0.263	S	S	*	.	H	α-helix	trans	-62.4	-28.1	174	0	0	0	0	0	112.7	F60 D75 I76 G81	F60-A79 HydrophobicContact CE2-CB 4.22Å; F60-A79 HydrophobicContact CZ-CB 4.17Å; D75-A79 WeakPolarHBondContact O-CB 3.46Å; D75-A79 PolarHBondContact O-N 3.41Å; I76-A79 PolarHBondContact O-N 3.1Å; A79-G81 VanDerWaalsContact C-N 3.25Å; A79-G81 PolarHBondContact O-N 3.36Å
80	L	92.8	Very high	93.4	Very high	35 Å²	35	48.9 Å²	48.9	18%	0.183	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	14.8	173.6	-65.4	178.2	0	0	0	113.6	Y53 A56 I76 M77 R78 Q82 F111 L115	Y53-L80 HydrophobicContact CD1-CD1 3.84Å; Y53-L80 HydrophobicContact CD1-CD2 3.6Å; Y53-L80 HydrophobicContact CD1-CG 4.29Å; Y53-L80 HydrophobicContact CE1-CD1 4.43Å; Y53-L80 HydrophobicContact CE1-CD2 4.14Å; Y53-L80 HydrophobicContact CG-CD1 4.25Å; A56-L80 HydrophobicContact CB-CD2 3.53Å; A56-L80 HydrophobicContact CB-CG 4.29Å; I76-L80 HydrophobicContact CG2-CD1 4.18Å; I76-L80 WeakPolarHBondContact O-CG 3.36Å; I76-L80 PolarHBondContact O-N 2.95Å; M77-L80 CarbonylContact O-C 3.59Å; M77-L80 PolarHBondContact O-N 3.19Å; R78-L80 PolarHBondContact O-N 3.46Å; L80-Q82 VanDerWaalsContact C-N 3.33Å; L80-Q82 PolarHBondContact O-N 3.47Å; L80-F111 HydrophobicContact CD1-CE1 3.92Å; L80-F111 HydrophobicContact CD1-CZ 3.98Å; L80-L115 HydrophobicContact CD1-CD1 4.18Å; L80-L115 HydrophobicContact CD1-CD2 3.69Å
81	G	90.1	Very high	93.3	Very high	54 Å²	54	51.4 Å²	51.4	56%	0.557	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	17.2	174.6	0	0	0	0	0	114.8	M77 R78 A79	M77-G81 PolarHBondContact O-N 2.77Å; R78-G81 PolarHBondContact O-N 2.75Å; A79-G81 VanDerWaalsContact C-N 3.25Å; A79-G81 PolarHBondContact O-N 3.36Å
82	Q	92.6	Very high	93.2	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.126	26%	0.262	C	S	.	.			trans	-102.1	145.1	171.8	-55.1	-48.6	-56.4	0	0	111.1	M77 R78 L80 P84 L115 I118 I119	M77-Q82 CarbonylContact C-O 3.6Å; M77-Q82 HydrophobicContact CB-CB 4.48Å; M77-Q82 WeakPolarHBondContact O-CB 3.45Å; M77-Q82 PolarHBondContact O-N 2.57Å; R78-Q82 WeakPolarHBondContact CA-O 3.41Å; R78-Q82 PolarHBondContact N-O 2.98Å; L80-Q82 VanDerWaalsContact C-N 3.33Å; L80-Q82 PolarHBondContact O-N 3.47Å; Q82-P84 WeakPolarHBondContact O-CD 3.35Å; Q82-L115 HydrophobicContact CG-CD1 4.05Å; Q82-I118 HydrophobicContact CB-CG2 3.67Å; Q82-I118 HydrophobicContact CG-CG2 4.05Å; Q82-I119 HydrophobicContact CG-CG1 3.99Å
83	N	91.7	Very high	93.1	Very high	127 Å²	127	47 Å²	47	68%	0.679	26%	0.26	S	S	*	.			trans	-114.4	66.6	-179.6	-67.7	-39.5	0	0	0	111.6
84	P	93.4	Very high	93	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.045	28%	0.279	C	S	.	.			trans	-73.3	147.5	178.5	34.2	-37.4	0	0	0	111.4	M77 R78 Q82 V89 I118	M77-P84 HydrophobicContact CB-CG 3.83Å; M77-P84 HydrophobicContact SD-CB 4.42Å; M77-P84 HydrophobicContact SD-CG 3.96Å; R78-P84 PolarHBondContact NH2-O 3.34Å; Q82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-V89 HydrophobicContact CB-CG2 3.81Å; P84-V89 HydrophobicContact CG-CG2 3.83Å; P84-I118 HydrophobicContact CB-CD1 3.78Å; P84-I118 HydrophobicContact CB-CG1 4.15Å; P84-I118 HydrophobicContact CB-CG2 4.14Å
85	T	93.2	Very high	92.9	Very high	58 Å²	58	51.5 Å²	51.5	36%	0.356	29%	0.292	S	S	.	.			trans	-73.6	154.8	168.1	61.9	0	0	0	0	110.9	K87 E88 V89 E159	T85-K87 PolarHBondContact O-N 3Å; T85-E88 WeakPolarHBondContact CB-OE2 3.12Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.2Å; T85-E88 PolarHBondContact N-OE2 3.04Å; T85-E88 PolarHBondContact O-N 3.28Å; T85-E88 VanDerWaalsContact O-N 3.12Å; T85-E88 WeakPolarHBondContact OG1-CB 3.49Å; T85-E88 VanDerWaalsContact OG1-CD 3.25Å; T85-E88 WeakPolarHBondContact OG1-CG 3.45Å; T85-E88 PolarHBondContact OG1-N 3.45Å; T85-E88 VanDerWaalsContact OG1-N 3.16Å; T85-E88 PolarHBondContact OG1-OE2 2.81Å; T85-V89 PolarHBondContact O-N 3.1Å; T85-V89 VanDerWaalsContact O-N 3.11Å; T85-E159 WeakPolarHBondContact CB-OE2 3.4Å
86	N	92.4	Very high	92.8	Very high	76 Å²	76	48.9 Å²	48.9	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-33.7	177.4	-63.2	-42.9	0	0	0	111.1	R78 S90 E159	R78-N86 PolarHBondContact NH2-OD1 3.34Å; N86-S90 VanDerWaalsContact O-CB 3.32Å; N86-S90 WeakPolarHBondContact O-CB 3.44Å; N86-S90 PolarHBondContact O-N 3.44Å; N86-S90 PolarHBondContact O-OG 3.14Å; N86-E159 WeakPolarHBondContact CB-OE1 3.37Å; N86-E159 PolarHBondContact N-OE1 3.38Å; N86-E159 PolarHBondContact N-OE2 2.99Å
87	K	91.9	Very high	92.7	Very high	150 Å²	150	52.1 Å²	52.1	65%	0.652	30%	0.299	S	S	*	.	H	α-helix	trans	-64.1	-43	172.6	-79.1	170.8	-175.5	174.2	0	113	T85 S90 K91 E159	T85-K87 PolarHBondContact O-N 3Å; K87-S90 PolarHBondContact O-N 3.47Å; K87-K91 WeakPolarHBondContact O-CB 3.39Å; K87-K91 PolarHBondContact O-N 3.35Å; K87-E159 WeakPolarHBondContact CB-OE1 3.46Å; K87-E159 VanDerWaalsContact CG-OE1 3.27Å; K87-E159 WeakPolarHBondContact CG-OE1 3.38Å; K87-E159 PolarHBondContact N-OE1 3.43Å
88	E	92.6	Very high	92.6	Very high	43 Å²	43	57.6 Å²	57.6	20%	0.201	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-48.2	177.3	-77.5	164.6	138.3	0	0	111	T85 S90 K91 L92 I118	T85-E88 WeakPolarHBondContact CB-OE2 3.12Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.2Å; T85-E88 PolarHBondContact N-OE2 3.04Å; T85-E88 PolarHBondContact O-N 3.28Å; T85-E88 VanDerWaalsContact O-N 3.12Å; T85-E88 WeakPolarHBondContact OG1-CB 3.49Å; T85-E88 VanDerWaalsContact OG1-CD 3.25Å; T85-E88 WeakPolarHBondContact OG1-CG 3.45Å; T85-E88 PolarHBondContact OG1-N 3.45Å; T85-E88 VanDerWaalsContact OG1-N 3.16Å; T85-E88 PolarHBondContact OG1-OE2 2.81Å; E88-S90 VanDerWaalsContact C-N 3.35Å; E88-S90 PolarHBondContact O-N 3.25Å; E88-K91 WeakPolarHBondContact O-CB 3.44Å; E88-K91 PolarHBondContact O-N 2.95Å; E88-K91 VanDerWaalsContact O-N 3.15Å; E88-L92 WeakPolarHBondContact O-CG 3.29Å; E88-L92 PolarHBondContact O-N 3.24Å; E88-I118 HydrophobicContact CB-CD1 4.06Å
89	V	93.8	Very high	92.5	Very high	6 Å²	6	60 Å²	60	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-45.4	176.5	-179.1	0	0	0	0	110.9	I73 A74 M77 P84 T85 K91 L92 L93	I73-V89 HydrophobicContact CB-CG1 4.14Å; I73-V89 HydrophobicContact CG2-CG1 3.88Å; A74-V89 HydrophobicContact CB-CB 4.49Å; A74-V89 HydrophobicContact CB-CG1 4.29Å; A74-V89 HydrophobicContact CB-CG2 3.91Å; M77-V89 HydrophobicContact SD-CG2 4.18Å; P84-V89 HydrophobicContact CB-CG2 3.81Å; P84-V89 HydrophobicContact CG-CG2 3.83Å; T85-V89 PolarHBondContact O-N 3.1Å; T85-V89 VanDerWaalsContact O-N 3.11Å; V89-K91 VanDerWaalsContact C-N 3.25Å; V89-K91 PolarHBondContact O-N 2.99Å; V89-L92 PolarHBondContact O-N 3.3Å; V89-L92 VanDerWaalsContact O-N 3.17Å; V89-L93 HydrophobicContact CG1-CD1 3.93Å; V89-L93 HydrophobicContact CG1-CG 4.42Å; V89-L93 WeakPolarHBondContact O-CG 3.17Å; V89-L93 PolarHBondContact O-N 3.11Å
90	S	93.3	Very high	92.5	Very high	43 Å²	43	58.7 Å²	58.7	30%	0.301	33%	0.333	S	S	.	.	H	α-helix	trans	-56.7	-41.7	176.4	-59.8	0	0	0	0	111.7	N86 K87 E88 L93 G94 N95 P96	N86-S90 VanDerWaalsContact O-CB 3.32Å; N86-S90 WeakPolarHBondContact O-CB 3.44Å; N86-S90 PolarHBondContact O-N 3.44Å; N86-S90 PolarHBondContact O-OG 3.14Å; K87-S90 PolarHBondContact O-N 3.47Å; E88-S90 VanDerWaalsContact C-N 3.35Å; E88-S90 PolarHBondContact O-N 3.25Å; S90-L93 PolarHBondContact O-N 3.08Å; S90-G94 PolarHBondContact O-N 3.47Å; S90-N95 WeakPolarHBondContact O-CA 3.14Å; S90-N95 PolarHBondContact O-N 3.35Å; S90-P96 VanDerWaalsContact O-CD 3.31Å; S90-P96 WeakPolarHBondContact O-CD 3.35Å
91	K	92.3	Very high	92.5	Very high	93 Å²	93	59.7 Å²	59.7	40%	0.404	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-39.1	178.9	-168.8	-176.7	175.1	-169.4	0	112.3	I36 K87 E88 V89 L93 G94	I36-K91 HydrophobicContact CD1-CB 4.4Å; I36-K91 HydrophobicContact CD1-CD 3.76Å; I36-K91 HydrophobicContact CD1-CG 3.84Å; I36-K91 HydrophobicContact CG1-CD 4Å; I36-K91 HydrophobicContact CG1-CG 3.94Å; K87-K91 WeakPolarHBondContact O-CB 3.39Å; K87-K91 PolarHBondContact O-N 3.35Å; E88-K91 WeakPolarHBondContact O-CB 3.44Å; E88-K91 PolarHBondContact O-N 2.95Å; E88-K91 VanDerWaalsContact O-N 3.15Å; V89-K91 VanDerWaalsContact C-N 3.25Å; V89-K91 PolarHBondContact O-N 2.99Å; K91-L93 VanDerWaalsContact C-N 3.28Å; K91-L93 PolarHBondContact O-N 3.32Å; K91-G94 PolarHBondContact O-N 3.35Å; K91-G94 VanDerWaalsContact O-N 3.13Å
92	L	92.5	Very high	92.5	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-35.8	174.9	-68	168.8	0	0	0	111.7	I36 L38 M77 E88 V89 G94 M114 T117 I118	I36-L92 HydrophobicContact CD1-CD2 3.69Å; I36-L92 HydrophobicContact CD1-CG 4.3Å; L38-L92 WeakPolarHBondContact CD1-O 3.28Å; L38-L92 HydrophobicContact CD2-CD2 3.8Å; M77-L92 HydrophobicContact CE-CD1 4.09Å; E88-L92 WeakPolarHBondContact O-CG 3.29Å; E88-L92 PolarHBondContact O-N 3.24Å; V89-L92 PolarHBondContact O-N 3.3Å; V89-L92 VanDerWaalsContact O-N 3.17Å; L92-G94 PolarHBondContact O-N 3.16Å; L92-M114 HydrophobicContact CB-CB 4.45Å; L92-M114 HydrophobicContact CB-CG 4.32Å; L92-M114 HydrophobicContact CD1-CB 4.27Å; L92-T117 HydrophobicContact CD2-CG2 3.73Å; L92-I118 HydrophobicContact CD1-CD1 3.57Å; L92-I118 HydrophobicContact CD1-CG1 3.6Å
93	L	93.1	Very high	92.4	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.073	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.9	176	-63.8	173.5	0	0	0	113.8	Y70 I73 V89 S90 K91 P96 M101 M114	Y70-L93 HydrophobicContact CD1-CD2 4.23Å; Y70-L93 HydrophobicContact CD2-CB 4.16Å; Y70-L93 HydrophobicContact CD2-CD1 4Å; Y70-L93 HydrophobicContact CD2-CD2 3.97Å; Y70-L93 HydrophobicContact CD2-CG 4.27Å; Y70-L93 HydrophobicContact CE1-CD2 4.3Å; Y70-L93 HydrophobicContact CE2-CB 4.14Å; Y70-L93 HydrophobicContact CE2-CD2 4.02Å; Y70-L93 HydrophobicContact CG-CD1 4.15Å; Y70-L93 HydrophobicContact CG-CD2 4.06Å; I73-L93 HydrophobicContact CG1-CD2 4.26Å; V89-L93 HydrophobicContact CG1-CD1 3.93Å; V89-L93 HydrophobicContact CG1-CG 4.42Å; V89-L93 WeakPolarHBondContact O-CG 3.17Å; V89-L93 PolarHBondContact O-N 3.11Å; S90-L93 PolarHBondContact O-N 3.08Å; K91-L93 VanDerWaalsContact C-N 3.28Å; K91-L93 PolarHBondContact O-N 3.32Å; L93-P96 HydrophobicContact CB-CG 3.79Å; L93-P96 HydrophobicContact CD1-CG 4.32Å; L93-M101 HydrophobicContact CD1-SD 3.93Å; L93-M114 HydrophobicContact CD2-CE 3.86Å; L93-M114 HydrophobicContact CD2-SD 3.88Å
94	G	92.2	Very high	92.5	Very high	38 Å²	38	62.4 Å²	62.4	39%	0.392	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	31.3	179.5	0	0	0	0	0	114.4	S90 K91 L92	S90-G94 PolarHBondContact O-N 3.47Å; K91-G94 PolarHBondContact O-N 3.35Å; K91-G94 VanDerWaalsContact O-N 3.13Å; L92-G94 PolarHBondContact O-N 3.16Å
95	N	91.8	Very high	92.6	Very high	67 Å²	67	65.7 Å²	65.7	36%	0.358	36%	0.357	S	S	.	.	S	Bend	trans	53.8	60.7	-176.1	-58.7	-38.9	0	0	0	112.5	A33 S90	A33-N95 PolarHBondContact O-ND2 2.91Å; S90-N95 WeakPolarHBondContact O-CA 3.14Å; S90-N95 PolarHBondContact O-N 3.35Å
96	P	92.8	Very high	92.6	Very high	23 Å²	23	63.6 Å²	63.6	15%	0.149	34%	0.343	C	S	.	.			trans	-62.5	150.3	-177.3	28.7	-35.9	0	0	0	111.6	Y70 S90 L93 D100 M101	Y70-P96 HydrophobicContact CD2-CB 4.05Å; Y70-P96 HydrophobicContact CD2-CG 4.24Å; Y70-P96 HydrophobicContact CE2-CB 4.33Å; S90-P96 VanDerWaalsContact O-CD 3.31Å; S90-P96 WeakPolarHBondContact O-CD 3.35Å; L93-P96 HydrophobicContact CB-CG 3.79Å; L93-P96 HydrophobicContact CD1-CG 4.32Å; P96-D100 HydrophobicContact CB-CB 3.58Å; P96-M101 HydrophobicContact CB-CG 4.15Å; P96-M101 HydrophobicContact CB-SD 4.29Å; P96-M101 HydrophobicContact CG-CG 3.81Å; P96-M101 HydrophobicContact CG-SD 3.49Å; P96-M101 WeakPolarHBondContact CG-SD 3.22Å
97	T	93.8	Very high	92.8	Very high	68 Å²	68	65.3 Å²	65.3	42%	0.417	35%	0.349	S	S	.	.			trans	-70.4	165.7	168.3	67.9	0	0	0	0	110.8	E99 D100 M101	T97-E99 PolarHBondContact O-N 2.97Å; T97-D100 PolarHBondContact N-OD2 2.9Å; T97-D100 WeakPolarHBondContact O-CB 3.47Å; T97-D100 PolarHBondContact O-N 3.32Å; T97-D100 VanDerWaalsContact O-N 3.09Å; T97-D100 VanDerWaalsContact OG1-CG 3.3Å; T97-D100 PolarHBondContact OG1-N 3.27Å; T97-D100 VanDerWaalsContact OG1-N 3.1Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 2.98Å
98	P	91.4	Very high	92.9	Very high	115 Å²	115	58.9 Å²	58.9	75%	0.747	32%	0.321	S	S	*	.	H	α-helix	trans	-58.1	-33.6	172.7	-26.4	35.8	0	0	0	113.4	M101 A102	P98-M101 PolarHBondContact O-N 3.44Å; P98-A102 PolarHBondContact O-N 3.33Å
99	E	92.4	Very high	92.9	Very high	141 Å²	141	62.1 Å²	62.1	66%	0.659	34%	0.336	S	S	*	.	H	α-helix	trans	-68.5	-40	175.3	-171.8	177.1	-179.8	0	0	111.3	T97 A102 N103	T97-E99 PolarHBondContact O-N 2.97Å; E99-A102 PolarHBondContact O-N 3.22Å; E99-N103 VanDerWaalsContact CG-ND2 3.31Å; E99-N103 WeakPolarHBondContact CG-ND2 3.07Å; E99-N103 WeakPolarHBondContact O-CB 3.47Å; E99-N103 PolarHBondContact O-N 3.42Å; E99-N103 PolarHBondContact O-ND2 3.42Å
100	D	92.8	Very high	92.9	Very high	41 Å²	41	63 Å²	63	22%	0.219	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-43.8	173.4	-75.8	-21.6	0	0	0	111.6	P96 T97 A102 N103 K104	P96-D100 HydrophobicContact CB-CB 3.58Å; T97-D100 PolarHBondContact N-OD2 2.9Å; T97-D100 WeakPolarHBondContact O-CB 3.47Å; T97-D100 PolarHBondContact O-N 3.32Å; T97-D100 VanDerWaalsContact O-N 3.09Å; T97-D100 VanDerWaalsContact OG1-CG 3.3Å; T97-D100 PolarHBondContact OG1-N 3.27Å; T97-D100 VanDerWaalsContact OG1-N 3.1Å; D100-A102 PolarHBondContact O-N 3.11Å; D100-N103 PolarHBondContact O-N 3.23Å; D100-K104 HydrophobicContact CB-CD 3.82Å; D100-K104 HydrophobicContact CB-CG 4.2Å; D100-K104 VanDerWaalsContact CG-CE 3.43Å; D100-K104 WeakPolarHBondContact O-CA 3.33Å; D100-K104 VanDerWaalsContact O-CB 3.22Å; D100-K104 WeakPolarHBondContact O-CB 3.37Å; D100-K104 PolarHBondContact O-N 3.25Å; D100-K104 WeakPolarHBondContact OD1-CD 3.32Å; D100-K104 WeakPolarHBondContact OD1-CE 3.29Å; D100-K104 IonicContact OD1-NZ 3.08Å; D100-K104 PolarHBondContact OD1-NZ 3.29Å; D100-K104 IonicContact OD2-NZ 2.73Å; D100-K104 PolarHBondContact OD2-NZ 3.45Å
101	M	92.1	Very high	92.9	Very high	55 Å²	55	60.9 Å²	60.9	27%	0.271	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-31.3	177.2	-73.8	-69.8	-80.7	0	0	112.8	N71 L93 P96 T97 P98	N71-M101 HydrophobicContact CB-CE 4.42Å; N71-M101 PolarHBondContact N-O 2.94Å; L93-M101 HydrophobicContact CD1-SD 3.93Å; P96-M101 HydrophobicContact CB-CG 4.15Å; P96-M101 HydrophobicContact CB-SD 4.29Å; P96-M101 HydrophobicContact CG-CG 3.81Å; P96-M101 HydrophobicContact CG-SD 3.49Å; P96-M101 WeakPolarHBondContact CG-SD 3.22Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 2.98Å; P98-M101 PolarHBondContact O-N 3.44Å
102	A	90.5	Very high	93	Very high	65 Å²	65	56.8 Å²	56.8	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-85	-33.3	179.6	0	0	0	0	0	113.6	P98 E99 D100	P98-A102 PolarHBondContact O-N 3.33Å; E99-A102 PolarHBondContact O-N 3.22Å; D100-A102 PolarHBondContact O-N 3.11Å
103	N	90.3	Very high	93.1	Very high	111 Å²	111	57.5 Å²	57.5	59%	0.594	32%	0.319	S	S	*	.	H	α-helix	trans	-113	-26.1	-168	-62.9	-58.6	0	0	0	114.3	E99 D100	E99-N103 VanDerWaalsContact CG-ND2 3.31Å; E99-N103 WeakPolarHBondContact CG-ND2 3.07Å; E99-N103 WeakPolarHBondContact O-CB 3.47Å; E99-N103 PolarHBondContact O-N 3.42Å; E99-N103 PolarHBondContact O-ND2 3.42Å; D100-N103 PolarHBondContact O-N 3.23Å
104	K	94.4	Very high	93.2	Very high	90 Å²	90	57.3 Å²	57.3	39%	0.391	32%	0.318	S	S	.	.			trans	-81.1	146.4	179.3	-68.4	-175	174	156.6	0	110.8	Y70 D100	Y70-K104 HydrophobicContact CD1-CB 3.8Å; Y70-K104 WeakPolarHBondContact CD1-O 3.48Å; Y70-K104 HydrophobicContact CD2-CB 3.93Å; Y70-K104 HydrophobicContact CE1-CB 3.71Å; Y70-K104 HydrophobicContact CE2-CB 3.86Å; Y70-K104 HydrophobicContact CE2-CD 3.96Å; Y70-K104 HydrophobicContact CG-CB 3.92Å; Y70-K104 PolarHBondContact N-O 3.2Å; D100-K104 HydrophobicContact CB-CD 3.82Å; D100-K104 HydrophobicContact CB-CG 4.2Å; D100-K104 VanDerWaalsContact CG-CE 3.43Å; D100-K104 WeakPolarHBondContact O-CA 3.33Å; D100-K104 VanDerWaalsContact O-CB 3.22Å; D100-K104 WeakPolarHBondContact O-CB 3.37Å; D100-K104 PolarHBondContact O-N 3.25Å; D100-K104 WeakPolarHBondContact OD1-CD 3.32Å; D100-K104 WeakPolarHBondContact OD1-CE 3.29Å; D100-K104 IonicContact OD1-NZ 3.08Å; D100-K104 PolarHBondContact OD1-NZ 3.29Å; D100-K104 IonicContact OD2-NZ 2.73Å; D100-K104 PolarHBondContact OD2-NZ 3.45Å
105	R	94.4	Very high	93.3	Very high	76 Å²	76	55.5 Å²	55.5	29%	0.287	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.2	179.9	-56.1	-178	69.3	-157.8	1.1	109.1	D61 D65 K67 V68 A69	D61-R105 IonicContact OD1-NH2 3.13Å; D61-R105 PolarHBondContact OD1-NH2 2.68Å; D61-R105 VanDerWaalsContact OD1-NH2 3.14Å; D65-R105 IonicContact OD1-CZ 3.42Å; D65-R105 IonicContact OD1-NH1 2.68Å; D65-R105 PolarHBondContact OD1-NH1 2.86Å; D65-R105 IonicContact OD1-NH2 3.77Å; D65-R105 PolarHBondContact OD1-NH2 3.39Å; D65-R105 IonicContact OD2-CZ 3.74Å; D65-R105 IonicContact OD2-NH1 3.83Å; D65-R105 PolarHBondContact OD2-NH1 2.97Å; K67-R105 HydrophobicContact CB-CB 4.09Å; K67-R105 PolarHBondContact O-NH2 2.91Å; V68-R105 CarbonylContact O-C 3.51Å; V68-R105 WeakPolarHBondContact O-CA 3.38Å; V68-R105 WeakPolarHBondContact O-CB 3.31Å; A69-R105 HydrophobicContact CB-CG 4.47Å
106	V	94.8	Very high	93.4	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.1	177.3	75.2	0	0	0	0	109.2	F57 K67 V68 Y70 I73 F111 M114	F57-V106 HydrophobicContact CE2-CG1 4.34Å; F57-V106 HydrophobicContact CZ-CG1 4.42Å; K67-V106 CarbonylContact C-O 3.56Å; K67-V106 WeakPolarHBondContact CA-O 3.17Å; K67-V106 WeakPolarHBondContact CB-O 3.36Å; V68-V106 HydrophobicContact CG2-CG1 3.77Å; V68-V106 PolarHBondContact N-O 3.09Å; V68-V106 PolarHBondContact O-N 3.1Å; Y70-V106 HydrophobicContact CD1-CB 4.5Å; Y70-V106 HydrophobicContact CE1-CB 4.09Å; I73-V106 HydrophobicContact CD1-CG1 3.38Å; I73-V106 HydrophobicContact CG1-CG1 4.39Å; V106-F111 HydrophobicContact CG1-CB 4.49Å; V106-M114 HydrophobicContact CG2-CE 4.13Å
107	E	96	Very high	93.4	Very high	113 Å²	113	53 Å²	53	53%	0.528	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	162	169.8	65.4	-165.3	164.1	0	0	111.1	K67 E109 G110 F111	K67-E107 HydrophobicContact CG-CB 4.33Å; E107-E109 VanDerWaalsContact C-N 3.31Å; E107-E109 PolarHBondContact O-N 2.7Å; E107-G110 PolarHBondContact O-N 2.9Å; E107-F111 PolarHBondContact O-N 3.05Å; E107-F111 VanDerWaalsContact O-N 3.16Å
108	F	94.1	Very high	93.3	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-55.4	-43	-177.3	179.9	-109.4	0	0	0	113.4	I50 R54 F57 G110 F111 L112	I50-F108 HydrophobicContact CG2-CE1 3.96Å; I50-F108 HydrophobicContact CG2-CZ 4.19Å; I50-F108 WeakPolarHBondContact O-CZ 3.49Å; R54-F108 VanDerWaalsContact CA-CE2 3.42Å; R54-F108 HydrophobicContact CB-CD2 4.44Å; R54-F108 HydrophobicContact CB-CE1 4Å; R54-F108 HydrophobicContact CB-CE2 3.91Å; R54-F108 HydrophobicContact CB-CZ 3.64Å; R54-F108 HydrophobicContact CG-CE1 4.43Å; R54-F108 HydrophobicContact CG-CZ 4.45Å; F57-F108 HydrophobicContact CB-CD2 3.83Å; F57-F108 HydrophobicContact CB-CE2 4.2Å; F57-F108 HydrophobicContact CD1-CB 4.21Å; F57-F108 HydrophobicContact CD1-CD2 4.16Å; F57-F108 HydrophobicContact CD2-CD2 4.05Å; F57-F108 HydrophobicContact CE1-CB 4.11Å; F57-F108 AromaticContact CG-CD2 3.77Å; F57-F108 HydrophobicContact CG-CD2 3.77Å; F57-F108 HydrophobicContact CZ-CB 4.38Å; F108-G110 PolarHBondContact O-N 3.01Å; F108-F111 WeakPolarHBondContact O-CB 3.37Å; F108-F111 PolarHBondContact O-N 3.37Å; F108-L112 HydrophobicContact CD1-CD1 4.4Å; F108-L112 HydrophobicContact CE1-CD1 3.83Å; F108-L112 HydrophobicContact CE1-CD2 4.16Å; F108-L112 HydrophobicContact CE1-CG 4.07Å; F108-L112 HydrophobicContact CE2-CD2 4.04Å; F108-L112 HydrophobicContact CE2-CG 4.44Å; F108-L112 HydrophobicContact CZ-CD1 4.19Å; F108-L112 HydrophobicContact CZ-CD2 3.64Å; F108-L112 HydrophobicContact CZ-CG 4.03Å; F108-L112 PolarHBondContact O-N 3.25Å
109	E	92.8	Very high	93.3	Very high	111 Å²	111	47 Å²	47	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-30.5	178.7	-58.9	-57.3	136.5	0	0	112.5	R54 E107 P113	R54-E109 IonicContact NH2-OE1 2.84Å; E107-E109 VanDerWaalsContact C-N 3.31Å; E107-E109 PolarHBondContact O-N 2.7Å; E109-P113 WeakPolarHBondContact O-CD 3.5Å
110	G	92.1	Very high	93.2	Very high	24 Å²	24	44.7 Å²	44.7	25%	0.247	24%	0.237	C	C	.	.	H	α-helix	trans	-76.3	-23.9	173.8	0	0	0	0	0	113.5	E107 F108	E107-G110 PolarHBondContact O-N 2.9Å; F108-G110 PolarHBondContact O-N 3.01Å
111	F	95.1	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-78.4	-35.8	178.2	171.8	-105.9	0	0	0	113	F57 I73 I76 M77 L80 V106 E107 F108 M114 L115	F57-F111 HydrophobicContact CD2-CB 4.17Å; F57-F111 AromaticContact CD2-CD1 3.86Å; F57-F111 HydrophobicContact CD2-CD1 3.86Å; F57-F111 HydrophobicContact CD2-CE1 4.43Å; F57-F111 AromaticContact CD2-CG 3.97Å; F57-F111 HydrophobicContact CD2-CG 3.97Å; F57-F111 HydrophobicContact CE2-CB 3.73Å; F57-F111 HydrophobicContact CE2-CD1 4.29Å; F57-F111 AromaticContact CE2-CG 3.94Å; F57-F111 HydrophobicContact CE2-CG 3.94Å; I73-F111 HydrophobicContact CD1-CD2 3.89Å; I73-F111 HydrophobicContact CD1-CE2 4.43Å; I73-F111 HydrophobicContact CG2-CD2 4.36Å; I73-F111 HydrophobicContact CG2-CE2 4.27Å; I76-F111 HydrophobicContact CB-CE2 4.44Å; I76-F111 HydrophobicContact CB-CZ 4.32Å; I76-F111 HydrophobicContact CG2-CE1 4.04Å; I76-F111 HydrophobicContact CG2-CE2 4.09Å; I76-F111 HydrophobicContact CG2-CZ 3.54Å; M77-F111 HydrophobicContact CE-CD2 4.45Å; M77-F111 HydrophobicContact CE-CE2 3.89Å; M77-F111 HydrophobicContact CG-CE2 3.87Å; M77-F111 HydrophobicContact CG-CZ 4.1Å; L80-F111 HydrophobicContact CD1-CE1 3.92Å; L80-F111 HydrophobicContact CD1-CZ 3.98Å; V106-F111 HydrophobicContact CG1-CB 4.49Å; E107-F111 PolarHBondContact O-N 3.05Å; E107-F111 VanDerWaalsContact O-N 3.16Å; F108-F111 WeakPolarHBondContact O-CB 3.37Å; F108-F111 PolarHBondContact O-N 3.37Å; F111-M114 WeakPolarHBondContact O-CA 3.4Å; F111-M114 VanDerWaalsContact O-CB 3.29Å; F111-M114 WeakPolarHBondContact O-CB 3.27Å; F111-M114 PolarHBondContact O-N 2.87Å; F111-L115 HydrophobicContact CE1-CB 4.1Å; F111-L115 HydrophobicContact CE1-CD2 3.96Å; F111-L115 HydrophobicContact CE1-CG 4.5Å; F111-L115 HydrophobicContact CZ-CB 4.09Å; F111-L115 HydrophobicContact CZ-CD1 4.37Å; F111-L115 HydrophobicContact CZ-CD2 4.34Å; F111-L115 HydrophobicContact CZ-CG 4.5Å; F111-L115 PolarHBondContact O-N 3.37Å
112	L	94.4	Very high	92	Very high	7 Å²	7	47 Å²	47	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-55.2	-46.6	-176.9	-70.4	178.9	0	0	0	114.1	I43 F45 Y53 F108 M114 L115 Q116	I43-L112 HydrophobicContact CD1-CB 4.27Å; F45-L112 HydrophobicContact CD2-CD2 3.99Å; F45-L112 HydrophobicContact CE2-CB 4.45Å; F45-L112 HydrophobicContact CE2-CD2 4.01Å; Y53-L112 HydrophobicContact CD2-CD2 4.19Å; F108-L112 HydrophobicContact CD1-CD1 4.4Å; F108-L112 HydrophobicContact CE1-CD1 3.83Å; F108-L112 HydrophobicContact CE1-CD2 4.16Å; F108-L112 HydrophobicContact CE1-CG 4.07Å; F108-L112 HydrophobicContact CE2-CD2 4.04Å; F108-L112 HydrophobicContact CE2-CG 4.44Å; F108-L112 HydrophobicContact CZ-CD1 4.19Å; F108-L112 HydrophobicContact CZ-CD2 3.64Å; F108-L112 HydrophobicContact CZ-CG 4.03Å; F108-L112 PolarHBondContact O-N 3.25Å; L112-M114 VanDerWaalsContact C-N 3.27Å; L112-M114 PolarHBondContact O-N 3.18Å; L112-L115 PolarHBondContact O-N 2.81Å; L112-Q116 WeakPolarHBondContact O-CB 3.48Å; L112-Q116 PolarHBondContact O-N 2.84Å
113	P	93.8	Very high	90.8	Very high	21 Å²	21	50 Å²	50	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-34.7	174.8	-23.5	33.2	0	0	0	113.4	L38 V41 I43 E109 T117	L38-P113 HydrophobicContact CB-CB 3.97Å; L38-P113 HydrophobicContact CD2-CB 4.26Å; V41-P113 HydrophobicContact CB-CB 4.22Å; I43-P113 HydrophobicContact CD1-CB 4.21Å; I43-P113 HydrophobicContact CD1-CG 4.06Å; E109-P113 WeakPolarHBondContact O-CD 3.5Å; P113-T117 WeakPolarHBondContact O-CB 3.2Å; P113-T117 PolarHBondContact O-N 2.83Å; P113-T117 PolarHBondContact O-OG1 3.16Å
114	M	94.8	Very high	90.1	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-47.6	177.1	-56.1	179.3	-176.5	0	0	110.1	L38 M77 L92 L93 V106 F111 L112 T117 I118	L38-M114 HydrophobicContact CD1-CE 3.75Å; L38-M114 HydrophobicContact CD1-CG 3.6Å; L38-M114 HydrophobicContact CD2-CG 4.28Å; M77-M114 HydrophobicContact CE-CB 3.59Å; L92-M114 HydrophobicContact CB-CB 4.45Å; L92-M114 HydrophobicContact CB-CG 4.32Å; L92-M114 HydrophobicContact CD1-CB 4.27Å; L93-M114 HydrophobicContact CD2-CE 3.86Å; L93-M114 HydrophobicContact CD2-SD 3.88Å; V106-M114 HydrophobicContact CG2-CE 4.13Å; F111-M114 WeakPolarHBondContact O-CA 3.4Å; F111-M114 VanDerWaalsContact O-CB 3.29Å; F111-M114 WeakPolarHBondContact O-CB 3.27Å; F111-M114 PolarHBondContact O-N 2.87Å; L112-M114 VanDerWaalsContact C-N 3.27Å; L112-M114 PolarHBondContact O-N 3.18Å; M114-T117 PolarHBondContact O-N 3.5Å; M114-I118 PolarHBondContact O-N 3.11Å; M114-I118 VanDerWaalsContact O-N 3.15Å
115	L	94.5	Very high	89.7	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-45.5	178	-179.2	62.9	0	0	0	111.8	F45 Y53 M77 L80 Q82 F111 L112 T117 I118 I119	F45-L115 HydrophobicContact CE2-CD2 4.45Å; F45-L115 HydrophobicContact CZ-CB 4.46Å; F45-L115 HydrophobicContact CZ-CD2 4.21Å; F45-L115 HydrophobicContact CZ-CG 4.14Å; Y53-L115 HydrophobicContact CD1-CD2 4.16Å; Y53-L115 HydrophobicContact CD2-CD2 3.59Å; Y53-L115 HydrophobicContact CE1-CD2 4.23Å; Y53-L115 HydrophobicContact CE2-CD2 3.66Å; Y53-L115 HydrophobicContact CG-CD2 3.85Å; M77-L115 HydrophobicContact CG-CD1 4.32Å; L80-L115 HydrophobicContact CD1-CD1 4.18Å; L80-L115 HydrophobicContact CD1-CD2 3.69Å; Q82-L115 HydrophobicContact CG-CD1 4.05Å; F111-L115 HydrophobicContact CE1-CB 4.1Å; F111-L115 HydrophobicContact CE1-CD2 3.96Å; F111-L115 HydrophobicContact CE1-CG 4.5Å; F111-L115 HydrophobicContact CZ-CB 4.09Å; F111-L115 HydrophobicContact CZ-CD1 4.37Å; F111-L115 HydrophobicContact CZ-CD2 4.34Å; F111-L115 HydrophobicContact CZ-CG 4.5Å; F111-L115 PolarHBondContact O-N 3.37Å; L112-L115 PolarHBondContact O-N 2.81Å; L115-T117 VanDerWaalsContact C-N 3.27Å; L115-T117 PolarHBondContact O-N 3.12Å; L115-I118 PolarHBondContact O-N 2.94Å; L115-I119 HydrophobicContact CD1-CD1 4.14Å; L115-I119 HydrophobicContact CD1-CG1 4.42Å; L115-I119 HydrophobicContact CD2-CD1 4.46Å; L115-I119 HydrophobicContact CG-CD1 3.86Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3.45Å
116	Q	93.8	Very high	89.5	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.028	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-39.4	177.5	-176.7	73.2	64	0	0	111.6	V41 K42 I43 F45 L112 I118 I119 N120	V41-Q116 HydrophobicContact CG1-CB 3.83Å; V41-Q116 HydrophobicContact CG1-CG 3.66Å; K42-Q116 WeakPolarHBondContact O-CG 3.39Å; I43-Q116 HydrophobicContact CD1-CB 4.04Å; I43-Q116 HydrophobicContact CD1-CG 4.45Å; F45-Q116 VanDerWaalsContact CE1-OE1 3.27Å; F45-Q116 HydrophobicContact CE2-CB 4.08Å; F45-Q116 HydrophobicContact CZ-CB 3.73Å; F45-Q116 HydrophobicContact CZ-CG 4.4Å; F45-Q116 VanDerWaalsContact CZ-OE1 3.32Å; L112-Q116 WeakPolarHBondContact O-CB 3.48Å; L112-Q116 PolarHBondContact O-N 2.84Å; Q116-I118 PolarHBondContact O-N 3.15Å; Q116-I119 PolarHBondContact O-N 3.12Å; Q116-N120 PolarHBondContact NE2-ND2 3.26Å; Q116-N120 PolarHBondContact NE2-OD1 2.75Å; Q116-N120 WeakPolarHBondContact O-CB 3.31Å; Q116-N120 VanDerWaalsContact O-CG 3.22Å; Q116-N120 PolarHBondContact O-N 3.42Å
117	T	92.9	Very high	89.4	Confident	30 Å²	30	49 Å²	49	18%	0.184	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-43.2	177.3	-57.5	0	0	0	0	111.1	V41 L92 P113 M114 L115 N120 S121	V41-T117 WeakPolarHBondContact CG2-OG1 3.32Å; L92-T117 HydrophobicContact CD2-CG2 3.73Å; P113-T117 WeakPolarHBondContact O-CB 3.2Å; P113-T117 PolarHBondContact O-N 2.83Å; P113-T117 PolarHBondContact O-OG1 3.16Å; M114-T117 PolarHBondContact O-N 3.5Å; L115-T117 VanDerWaalsContact C-N 3.27Å; L115-T117 PolarHBondContact O-N 3.12Å; T117-N120 PolarHBondContact O-N 3.28Å; T117-S121 PolarHBondContact O-N 3.13Å; T117-S121 VanDerWaalsContact O-N 3.08Å; T117-S121 PolarHBondContact O-OG 3.3Å
118	I	92.7	Very high	89.3	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-41.4	176.6	-67.3	-56	0	0	0	112.1	M77 Q82 P84 E88 L92 M114 L115 Q116 N120 S121	M77-I118 HydrophobicContact CE-CG1 4.08Å; M77-I118 HydrophobicContact SD-CG1 3.8Å; Q82-I118 HydrophobicContact CB-CG2 3.67Å; Q82-I118 HydrophobicContact CG-CG2 4.05Å; P84-I118 HydrophobicContact CB-CD1 3.78Å; P84-I118 HydrophobicContact CB-CG1 4.15Å; P84-I118 HydrophobicContact CB-CG2 4.14Å; E88-I118 HydrophobicContact CB-CD1 4.06Å; L92-I118 HydrophobicContact CD1-CD1 3.57Å; L92-I118 HydrophobicContact CD1-CG1 3.6Å; M114-I118 PolarHBondContact O-N 3.11Å; M114-I118 VanDerWaalsContact O-N 3.15Å; L115-I118 PolarHBondContact O-N 2.94Å; Q116-I118 PolarHBondContact O-N 3.15Å; I118-N120 VanDerWaalsContact C-N 3.25Å; I118-N120 PolarHBondContact O-N 3.17Å; I118-S121 VanDerWaalsContact O-CB 3.29Å; I118-S121 WeakPolarHBondContact O-CB 3.48Å; I118-S121 PolarHBondContact O-N 3.29Å; I118-S121 VanDerWaalsContact O-N 3.11Å
119	I	90.6	Very high	89.3	Confident	51 Å²	51	55.2 Å²	55.2	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-39.6	177.4	-72.7	168.8	0	0	0	110.7	F45 Q82 L115 Q116 S121	F45-I119 HydrophobicContact CE1-CD1 3.56Å; F45-I119 HydrophobicContact CZ-CD1 3.84Å; Q82-I119 HydrophobicContact CG-CG1 3.99Å; L115-I119 HydrophobicContact CD1-CD1 4.14Å; L115-I119 HydrophobicContact CD1-CG1 4.42Å; L115-I119 HydrophobicContact CD2-CD1 4.46Å; L115-I119 HydrophobicContact CG-CD1 3.86Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3.45Å; Q116-I119 PolarHBondContact O-N 3.12Å; I119-S121 VanDerWaalsContact C-N 3.27Å; I119-S121 PolarHBondContact O-N 2.94Å
120	N	89.5	Confident	89.4	Confident	92 Å²	92	54.8 Å²	54.8	49%	0.492	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.7	179.2	-66.3	-6.7	0	0	0	113.2	Q116 T117 I118 P122	Q116-N120 PolarHBondContact NE2-ND2 3.26Å; Q116-N120 PolarHBondContact NE2-OD1 2.75Å; Q116-N120 WeakPolarHBondContact O-CB 3.31Å; Q116-N120 VanDerWaalsContact O-CG 3.22Å; Q116-N120 PolarHBondContact O-N 3.42Å; T117-N120 PolarHBondContact O-N 3.28Å; I118-N120 VanDerWaalsContact C-N 3.25Å; I118-N120 PolarHBondContact O-N 3.17Å; N120-P122 WeakPolarHBondContact O-CD 2.93Å
121	S	85.8	Confident	89.6	Confident	27 Å²	27	54 Å²	54	19%	0.189	29%	0.29	C	S	.	.			trans	-65.1	124.2	-179.7	-78.3	0	0	0	0	110.6	T117 I118 I119 N123	T117-S121 PolarHBondContact O-N 3.13Å; T117-S121 VanDerWaalsContact O-N 3.08Å; T117-S121 PolarHBondContact O-OG 3.3Å; I118-S121 VanDerWaalsContact O-CB 3.29Å; I118-S121 WeakPolarHBondContact O-CB 3.48Å; I118-S121 PolarHBondContact O-N 3.29Å; I118-S121 VanDerWaalsContact O-N 3.11Å; I119-S121 VanDerWaalsContact C-N 3.27Å; I119-S121 PolarHBondContact O-N 2.94Å; S121-N123 PolarHBondContact O-N 2.79Å
122	P	73.9	Confident	89.6	Confident	116 Å²	116	58.7 Å²	58.7	75%	0.753	31%	0.312	S	S	*	.			trans	-75.8	-8	178.7	31.5	-35.8	0	0	0	113.1	N120 K124	N120-P122 WeakPolarHBondContact O-CD 2.93Å; P122-K124 PolarHBondContact O-N 2.81Å
123	N	65.3	Low	89.6	Confident	128 Å²	128	60.1 Å²	60.1	68%	0.684	33%	0.329	S	S	*	.			trans	-79.3	38.3	-170.5	-66.5	-17.9	0	0	0	113.9	S121 A125	S121-N123 PolarHBondContact O-N 2.79Å; N123-A125 PolarHBondContact O-N 3.41Å
124	K	77.1	Confident	89.6	Confident	131 Å²	131	60.3 Å²	60.3	57%	0.57	33%	0.329	S	S	*	.			trans	-89.2	102.1	174.7	-61.8	-167.5	179.6	-166.3	0	108.5	P122	P122-K124 PolarHBondContact O-N 2.81Å
125	A	85.4	Confident	89.6	Confident	41 Å²	41	64.7 Å²	64.7	34%	0.339	35%	0.345	S	S	.	.			trans	-61	138	173.2	0	0	0	0	0	109.9	N123 D129 Y130	N123-A125 PolarHBondContact O-N 3.41Å; A125-D129 HydrophobicContact CB-CB 4.05Å; A125-Y130 HydrophobicContact CB-CD2 4.37Å; A125-Y130 HydrophobicContact CB-CE2 3.73Å
126	G	90.5	Very high	89.6	Confident	31 Å²	31	70.1 Å²	70.1	32%	0.32	38%	0.378	S	S	.	.			trans	-83.1	170.5	176.9	0	0	0	0	0	112.1	E128 D129 Y130	G126-E128 PolarHBondContact O-N 2.91Å; G126-D129 PolarHBondContact N-OD2 3.48Å; G126-D129 WeakPolarHBondContact O-CB 3.19Å; G126-D129 PolarHBondContact O-N 3.24Å; G126-D129 VanDerWaalsContact O-N 3.12Å; G126-Y130 WeakPolarHBondContact O-CD2 3.44Å; G126-Y130 PolarHBondContact O-N 3.17Å
127	F	92.8	Very high	89.6	Confident	68 Å²	68	72.2 Å²	72.2	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-51.2	-44.5	175	175.9	-99.4	0	0	0	112.4	D129 Y130 V131 E183 V186 K187 M190	F127-D129 VanDerWaalsContact C-N 3.34Å; F127-D129 PolarHBondContact O-N 3.13Å; F127-Y130 PolarHBondContact O-N 3.05Å; F127-V131 HydrophobicContact CD1-CG2 4.15Å; F127-V131 HydrophobicContact CD2-CG2 4.4Å; F127-V131 HydrophobicContact CE1-CG2 3.63Å; F127-V131 HydrophobicContact CE2-CG2 3.86Å; F127-V131 HydrophobicContact CZ-CG2 3.45Å; F127-V131 VanDerWaalsContact CZ-CG2 3.45Å; F127-V131 WeakPolarHBondContact O-CG2 3.15Å; F127-V131 PolarHBondContact O-N 3.43Å; F127-V131 VanDerWaalsContact O-N 3.07Å; F127-E183 HydrophobicContact CZ-CB 4.31Å; F127-V186 HydrophobicContact CD2-CB 4.2Å; F127-V186 HydrophobicContact CD2-CG1 3.42Å; F127-V186 VanDerWaalsContact CD2-CG1 3.42Å; F127-V186 HydrophobicContact CE2-CB 3.79Å; F127-V186 HydrophobicContact CE2-CG1 3.55Å; F127-V186 HydrophobicContact CG-CG1 4.4Å; F127-K187 HydrophobicContact CD2-CG 4.29Å; F127-K187 HydrophobicContact CE2-CD 4.47Å; F127-K187 HydrophobicContact CE2-CG 3.56Å; F127-K187 HydrophobicContact CZ-CG 4.11Å; F127-M190 HydrophobicContact CB-SD 3.95Å; F127-M190 HydrophobicContact CD2-SD 4.04Å
128	E	94.3	Very high	89.7	Confident	152 Å²	152	71.5 Å²	71.5	71%	0.71	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-39	-179.3	-62.6	-177.5	147.8	0	0	112.1	G126 Y130 V131 E132	G126-E128 PolarHBondContact O-N 2.91Å; E128-Y130 VanDerWaalsContact C-N 3.34Å; E128-Y130 PolarHBondContact O-N 3.49Å; E128-V131 PolarHBondContact O-N 3.35Å; E128-E132 WeakPolarHBondContact O-CG 3.5Å; E128-E132 PolarHBondContact O-N 3.13Å
129	D	94.2	Very high	89.6	Confident	105 Å²	105	78.9 Å²	78.9	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-62.1	-42	178.9	-62	-54.2	0	0	0	111.6	A125 G126 F127 G133	A125-D129 HydrophobicContact CB-CB 4.05Å; G126-D129 PolarHBondContact N-OD2 3.48Å; G126-D129 WeakPolarHBondContact O-CB 3.19Å; G126-D129 PolarHBondContact O-N 3.24Å; G126-D129 VanDerWaalsContact O-N 3.12Å; F127-D129 VanDerWaalsContact C-N 3.34Å; F127-D129 PolarHBondContact O-N 3.13Å; D129-G133 PolarHBondContact O-N 2.86Å
130	Y	94.5	Very high	89.7	Confident	102 Å²	102	84.2 Å²	84.2	40%	0.4	44%	0.438	S	S	.	.	H	α-helix	trans	-68.4	-42	177.3	-71.4	-70.5	0	0	0	112.2	A125 G126 F127 E128 G133 L134 V186 M190	A125-Y130 HydrophobicContact CB-CD2 4.37Å; A125-Y130 HydrophobicContact CB-CE2 3.73Å; G126-Y130 WeakPolarHBondContact O-CD2 3.44Å; G126-Y130 PolarHBondContact O-N 3.17Å; F127-Y130 PolarHBondContact O-N 3.05Å; E128-Y130 VanDerWaalsContact C-N 3.34Å; E128-Y130 PolarHBondContact O-N 3.49Å; Y130-G133 PolarHBondContact O-N 3.43Å; Y130-L134 WeakPolarHBondContact O-CG 3.39Å; Y130-L134 PolarHBondContact O-N 3.45Å; Y130-V186 HydrophobicContact CD2-CG1 4.38Å; Y130-V186 HydrophobicContact CG-CG1 4.24Å; Y130-M190 HydrophobicContact CD2-CE 4.42Å; Y130-M190 HydrophobicContact CD2-SD 3.92Å; Y130-M190 HydrophobicContact CE2-CE 4.32Å; Y130-M190 HydrophobicContact CE2-SD 4.28Å
131	V	95.7	Very high	89.9	Confident	6 Å²	6	82.9 Å²	82.9	4%	0.036	45%	0.446	C	S	.	.	H	α-helix	trans	-63.8	-46.7	178.3	170.8	0	0	0	0	110.9	F127 E128 G133 L134 R135 Y182 E183 V186	F127-V131 HydrophobicContact CD1-CG2 4.15Å; F127-V131 HydrophobicContact CD2-CG2 4.4Å; F127-V131 HydrophobicContact CE1-CG2 3.63Å; F127-V131 HydrophobicContact CE2-CG2 3.86Å; F127-V131 HydrophobicContact CZ-CG2 3.45Å; F127-V131 VanDerWaalsContact CZ-CG2 3.45Å; F127-V131 WeakPolarHBondContact O-CG2 3.15Å; F127-V131 PolarHBondContact O-N 3.43Å; F127-V131 VanDerWaalsContact O-N 3.07Å; E128-V131 PolarHBondContact O-N 3.35Å; V131-G133 VanDerWaalsContact C-N 3.3Å; V131-G133 PolarHBondContact O-N 3.21Å; V131-L134 PolarHBondContact O-N 3.01Å; V131-R135 WeakPolarHBondContact O-CB 3.48Å; V131-R135 PolarHBondContact O-N 2.92Å; V131-Y182 HydrophobicContact CG1-CD2 4.09Å; V131-Y182 HydrophobicContact CG1-CE2 3.83Å; V131-E183 HydrophobicContact CG1-CG 4.04Å; V131-E183 HydrophobicContact CG2-CG 4.15Å; V131-V186 HydrophobicContact CG2-CB 4.26Å; V131-V186 HydrophobicContact CG2-CG1 4.35Å; V131-V186 HydrophobicContact CG2-CG2 4.26Å
132	E	95.1	Very high	90.3	Very high	99 Å²	99	85.7 Å²	85.7	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-37.6	176.2	-67.6	-54.4	142.1	0	0	111.7	E128 L134 R135	E128-E132 WeakPolarHBondContact O-CG 3.5Å; E128-E132 PolarHBondContact O-N 3.13Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 3.49Å; E132-R135 PolarHBondContact O-N 3.17Å; E132-R135 IonicContact OE1-CZ 3.14Å; E132-R135 IonicContact OE1-NH1 3.23Å; E132-R135 PolarHBondContact OE1-NH1 2.99Å; E132-R135 IonicContact OE1-NH2 3.68Å; E132-R135 IonicContact OE2-CZ 2.76Å; E132-R135 IonicContact OE2-NH1 2.78Å; E132-R135 PolarHBondContact OE2-NH1 2.81Å
133	G	93.6	Very high	91.4	Very high	38 Å²	38	80.7 Å²	80.7	39%	0.392	43%	0.428	S	S	.	.	H	α-helix	trans	-60.7	-40.7	175.1	0	0	0	0	0	113.3	D129 Y130 V131	D129-G133 PolarHBondContact O-N 2.86Å; Y130-G133 PolarHBondContact O-N 3.43Å; V131-G133 VanDerWaalsContact C-N 3.3Å; V131-G133 PolarHBondContact O-N 3.21Å
134	L	94.8	Very high	92.9	Very high	24 Å²	24	76.1 Å²	76.1	13%	0.126	41%	0.405	C	S	.	.	H	α-helix	trans	-79.5	-30	178.2	-68.4	176	0	0	0	113	Y130 V131 E132 V136 F137 L150 Y182 F185 V186	Y130-L134 WeakPolarHBondContact O-CG 3.39Å; Y130-L134 PolarHBondContact O-N 3.45Å; V131-L134 PolarHBondContact O-N 3.01Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 3.49Å; L134-V136 PolarHBondContact O-N 3.4Å; L134-V136 VanDerWaalsContact O-N 3.14Å; L134-F137 PolarHBondContact O-N 2.93Å; L134-L150 HydrophobicContact CD2-CD1 3.63Å; L134-Y182 HydrophobicContact CB-CD2 4.37Å; L134-Y182 HydrophobicContact CB-CG 4.13Å; L134-F185 HydrophobicContact CD1-CD1 4Å; L134-F185 HydrophobicContact CD1-CE1 4.48Å; L134-V186 HydrophobicContact CD1-CG2 3.62Å
135	R	95.3	Very high	93.8	Very high	102 Å²	102	70.1 Å²	70.1	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-58.3	-27.1	177.3	-176.7	178.9	-73.2	155.9	2.2	112.7	V131 E132 F137 D138 Y182	V131-R135 WeakPolarHBondContact O-CB 3.48Å; V131-R135 PolarHBondContact O-N 2.92Å; E132-R135 PolarHBondContact O-N 3.17Å; E132-R135 IonicContact OE1-CZ 3.14Å; E132-R135 IonicContact OE1-NH1 3.23Å; E132-R135 PolarHBondContact OE1-NH1 2.99Å; E132-R135 IonicContact OE1-NH2 3.68Å; E132-R135 IonicContact OE2-CZ 2.76Å; E132-R135 IonicContact OE2-NH1 2.78Å; E132-R135 PolarHBondContact OE2-NH1 2.81Å; R135-F137 PolarHBondContact O-N 3.5Å; R135-F137 VanDerWaalsContact O-N 3.09Å; R135-D138 WeakPolarHBondContact O-CB 3.38Å; R135-D138 PolarHBondContact O-N 3.3Å; R135-Y182 HydrophobicContact CB-CE2 4.47Å
136	V	94.2	Very high	94.3	Very high	116 Å²	116	73.2 Å²	73.2	70%	0.703	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.6	175.2	-178.7	0	0	0	0	112.6	L134	L134-V136 PolarHBondContact O-N 3.4Å; L134-V136 VanDerWaalsContact O-N 3.14Å
137	F	93.3	Very high	94.6	Very high	50 Å²	50	71.8 Å²	71.8	22%	0.219	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.6	178.7	-54.1	-75.1	0	0	0	113.5	L134 R135 K139 V145 V153 L157	L134-F137 PolarHBondContact O-N 2.93Å; R135-F137 PolarHBondContact O-N 3.5Å; R135-F137 VanDerWaalsContact O-N 3.09Å; F137-K139 PolarHBondContact O-N 3.27Å; F137-K139 VanDerWaalsContact O-N 3.12Å; F137-V145 HydrophobicContact CB-CG1 3.87Å; F137-V153 HydrophobicContact CD1-CG2 3.8Å; F137-V153 HydrophobicContact CD2-CG2 4.44Å; F137-V153 HydrophobicContact CE1-CG1 4.49Å; F137-V153 HydrophobicContact CE1-CG2 3.38Å; F137-V153 HydrophobicContact CE2-CG1 3.92Å; F137-V153 HydrophobicContact CE2-CG2 4.09Å; F137-V153 HydrophobicContact CG-CG2 4.32Å; F137-V153 HydrophobicContact CZ-CB 4.34Å; F137-V153 HydrophobicContact CZ-CG1 3.78Å; F137-V153 HydrophobicContact CZ-CG2 3.54Å; F137-L157 HydrophobicContact CZ-CD1 4.19Å
138	D	95.3	Very high	94.7	Very high	15 Å²	15	71.1 Å²	71.1	8%	0.08	38%	0.38	C	S	.	.			trans	-82.2	85.9	175.6	-179.3	2.4	0	0	0	110.1	R135 E140 G141 N142 G143 V145 Y182	R135-D138 WeakPolarHBondContact O-CB 3.38Å; R135-D138 PolarHBondContact O-N 3.3Å; D138-E140 PolarHBondContact O-N 2.87Å; D138-E140 PolarHBondContact OD1-N 3.37Å; D138-G141 PolarHBondContact O-N 3.45Å; D138-G141 WeakPolarHBondContact OD1-CA 3.34Å; D138-G141 PolarHBondContact OD1-N 3.42Å; D138-G141 WeakPolarHBondContact OD2-CA 3.42Å; D138-N142 PolarHBondContact OD1-N 3.41Å; D138-N142 VanDerWaalsContact OD1-N 3.14Å; D138-N142 PolarHBondContact OD1-OD1 3.03Å; D138-N142 PolarHBondContact OD2-N 2.88Å; D138-N142 VanDerWaalsContact OD2-N 3.09Å; D138-G143 WeakPolarHBondContact OD2-CA 3.3Å; D138-G143 PolarHBondContact OD2-N 3.33Å; D138-V145 HydrophobicContact CB-CG1 4.27Å; D138-Y182 HydrophobicContact CB-CE1 3.74Å; D138-Y182 WeakPolarHBondContact OD2-CE1 3.34Å; D138-Y182 PolarHBondContact OD2-OH 2.76Å; D138-Y182 VanDerWaalsContact OD2-OH 3.08Å
139	K	91	Very high	94.7	Very high	162 Å²	162	66.1 Å²	66.1	70%	0.704	36%	0.357	S	S	*	.	S	Bend	trans	-65.7	-25.6	-177.9	-67.4	169.8	-175.6	128.4	0	113	F137 E149	F137-K139 PolarHBondContact O-N 3.27Å; F137-K139 VanDerWaalsContact O-N 3.12Å; K139-E149 IonicContact NZ-OE1 2.74Å; K139-E149 PolarHBondContact NZ-OE1 3.3Å; K139-E149 IonicContact NZ-OE2 2.81Å; K139-E149 PolarHBondContact NZ-OE2 2.85Å
140	E	91.9	Very high	94.7	Very high	164 Å²	164	61.3 Å²	61.3	77%	0.766	33%	0.331	S	S	*	.	S	Bend	trans	-96.9	-13.6	-175	-61	-170.2	118	0	0	112.5	D138 N142	D138-E140 PolarHBondContact O-N 2.87Å; D138-E140 PolarHBondContact OD1-N 3.37Å; E140-N142 VanDerWaalsContact C-N 3.27Å; E140-N142 HydrophobicContact CB-CB 4.4Å; E140-N142 PolarHBondContact O-N 3.07Å; E140-N142 PolarHBondContact OE2-ND2 3.3Å
141	G	94.1	Very high	94.8	Very high	64 Å²	64	59.9 Å²	59.9	66%	0.66	33%	0.325	S	S	*	.	S	Bend	trans	66.9	27.6	-176.7	0	0	0	0	0	113	D138	D138-G141 PolarHBondContact O-N 3.45Å; D138-G141 WeakPolarHBondContact OD1-CA 3.34Å; D138-G141 PolarHBondContact OD1-N 3.42Å; D138-G141 WeakPolarHBondContact OD2-CA 3.42Å
142	N	94.6	Very high	94.7	Very high	85 Å²	85	64.7 Å²	64.7	46%	0.455	35%	0.349	S	S	.	.	S	Bend	trans	-99.1	2.1	-172.4	69	8.1	0	0	0	113.7	D138 E140 T144	D138-N142 PolarHBondContact OD1-N 3.41Å; D138-N142 VanDerWaalsContact OD1-N 3.14Å; D138-N142 PolarHBondContact OD1-OD1 3.03Å; D138-N142 PolarHBondContact OD2-N 2.88Å; D138-N142 VanDerWaalsContact OD2-N 3.09Å; E140-N142 VanDerWaalsContact C-N 3.27Å; E140-N142 HydrophobicContact CB-CB 4.4Å; E140-N142 PolarHBondContact O-N 3.07Å; E140-N142 PolarHBondContact OE2-ND2 3.3Å; N142-T144 PolarHBondContact ND2-OG1 3.41Å; N142-T144 PolarHBondContact OD1-N 3.32Å; N142-T144 PolarHBondContact OD1-OG1 3.44Å
143	G	95.9	Very high	94.7	Very high	12 Å²	12	61 Å²	61	12%	0.124	33%	0.333	C	S	.	.	S	Bend	trans	86	11.6	-178.2	0	0	0	0	0	113.9	D138 N181 Y182	D138-G143 WeakPolarHBondContact OD2-CA 3.3Å; D138-G143 PolarHBondContact OD2-N 3.33Å; G143-N181 WeakPolarHBondContact O-CA 3.41Å; G143-N181 PolarHBondContact O-ND2 3.14Å; G143-Y182 VanDerWaalsContact CA-CE1 3.43Å; G143-Y182 WeakPolarHBondContact O-CD1 3.45Å; G143-Y182 WeakPolarHBondContact O-CE1 3.35Å; G143-Y182 PolarHBondContact O-N 3.32Å
144	T	96.8	Very high	94.7	Very high	32 Å²	32	60.8 Å²	60.8	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.4	-179.3	71	0	0	0	0	113.2	N142 I180	N142-T144 PolarHBondContact ND2-OG1 3.41Å; N142-T144 PolarHBondContact OD1-N 3.32Å; N142-T144 PolarHBondContact OD1-OG1 3.44Å; T144-I180 CarbonylContact C-O 3.49Å; T144-I180 WeakPolarHBondContact CA-O 3.26Å
145	V	96.7	Very high	94.8	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.6	171.7	-65.7	0	0	0	0	109.4	F137 D138 G147 L150 C179 I180 Y182	F137-V145 HydrophobicContact CB-CG1 3.87Å; D138-V145 HydrophobicContact CB-CG1 4.27Å; V145-G147 PolarHBondContact O-N 3.26Å; V145-L150 HydrophobicContact CG2-CB 4.4Å; V145-L150 HydrophobicContact CG2-CD2 4.36Å; V145-C179 CarbonylContact O-C 3.53Å; V145-C179 WeakPolarHBondContact O-CA 3.5Å; V145-I180 HydrophobicContact CG2-CB 4.2Å; V145-I180 PolarHBondContact N-O 3.39Å; V145-I180 PolarHBondContact O-N 2.94Å; V145-Y182 HydrophobicContact CG1-CD1 3.98Å
146	M	96.2	Very high	94.7	Very high	107 Å²	107	60.7 Å²	60.7	53%	0.527	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.4	176.4	-171.9	159.8	54.8	0	0	109.7	A148 E149 L150	M146-A148 HydrophobicContact CG-CB 4.29Å; M146-A148 PolarHBondContact O-N 2.68Å; M146-E149 HydrophobicContact CB-CB 4.31Å; M146-E149 WeakPolarHBondContact O-CA 3.33Å; M146-E149 WeakPolarHBondContact O-CB 3.38Å; M146-E149 PolarHBondContact O-N 2.78Å; M146-L150 PolarHBondContact O-N 3.42Å
147	G	95.6	Very high	94.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-38	-177	0	0	0	0	0	112.6	V145 E149 L150 R151 M170 G178	V145-G147 PolarHBondContact O-N 3.26Å; G147-E149 VanDerWaalsContact C-N 3.32Å; G147-E149 PolarHBondContact O-N 2.99Å; G147-L150 PolarHBondContact O-N 3.07Å; G147-R151 VanDerWaalsContact O-CG 3.26Å; G147-R151 WeakPolarHBondContact O-CG 3.41Å; G147-R151 PolarHBondContact O-N 3.42Å; G147-M170 WeakPolarHBondContact O-CE 3.37Å; G147-G178 PolarHBondContact N-O 3.12Å
148	A	95.2	Very high	94.5	Very high	55 Å²	55	60.9 Å²	60.9	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-38.1	173	0	0	0	0	0	113.4	M146 I152	M146-A148 HydrophobicContact CG-CB 4.29Å; M146-A148 PolarHBondContact O-N 2.68Å; A148-I152 WeakPolarHBondContact O-CG1 3.47Å; A148-I152 PolarHBondContact O-N 2.92Å
149	E	94.1	Very high	94.3	Very high	46 Å²	46	63.1 Å²	63.1	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-69.8	-42.8	176.8	-175.3	160.9	-163.3	0	0	110.4	K139 M146 G147 R151 I152 V153	K139-E149 IonicContact NZ-OE1 2.74Å; K139-E149 PolarHBondContact NZ-OE1 3.3Å; K139-E149 IonicContact NZ-OE2 2.81Å; K139-E149 PolarHBondContact NZ-OE2 2.85Å; M146-E149 HydrophobicContact CB-CB 4.31Å; M146-E149 WeakPolarHBondContact O-CA 3.33Å; M146-E149 WeakPolarHBondContact O-CB 3.38Å; M146-E149 PolarHBondContact O-N 2.78Å; G147-E149 VanDerWaalsContact C-N 3.32Å; G147-E149 PolarHBondContact O-N 2.99Å; E149-R151 PolarHBondContact O-N 3.3Å; E149-I152 PolarHBondContact O-N 3.22Å; E149-V153 WeakPolarHBondContact O-CG2 3.46Å; E149-V153 PolarHBondContact O-N 3.11Å
150	L	94.8	Very high	94.5	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-39.9	177	-172.8	56.9	0	0	0	112.5	L134 V145 M146 G147 I152 V153 L154 M170 I180 F185	L134-L150 HydrophobicContact CD2-CD1 3.63Å; V145-L150 HydrophobicContact CG2-CB 4.4Å; V145-L150 HydrophobicContact CG2-CD2 4.36Å; M146-L150 PolarHBondContact O-N 3.42Å; G147-L150 PolarHBondContact O-N 3.07Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.8Å; L150-V153 WeakPolarHBondContact O-CB 3.3Å; L150-V153 PolarHBondContact O-N 3.13Å; L150-V153 VanDerWaalsContact O-N 3.15Å; L150-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 HydrophobicContact CD1-CG 4.31Å; L150-L154 HydrophobicContact CG-CD1 4.08Å; L150-L154 HydrophobicContact CG-CG 4.45Å; L150-L154 WeakPolarHBondContact O-CG 3.45Å; L150-L154 PolarHBondContact O-N 2.83Å; L150-M170 HydrophobicContact CB-CE 4.42Å; L150-M170 HydrophobicContact CD2-CE 4.43Å; L150-M170 HydrophobicContact CD2-SD 3.8Å; L150-M170 HydrophobicContact CG-SD 4.13Å; L150-I180 HydrophobicContact CD2-CD1 3.78Å; L150-F185 HydrophobicContact CD2-CD1 4.42Å; L150-F185 HydrophobicContact CD2-CE1 4.14Å; L150-F185 HydrophobicContact CD2-CZ 4.34Å
151	R	95.9	Very high	94.6	Very high	73 Å²	73	58.1 Å²	58.1	28%	0.275	34%	0.341	S	S	.	.	H	α-helix	trans	-59.3	-42.7	174.6	-70.7	165.6	177.9	-85.4	1.5	112.2	G147 E149 V153 S155 I166 D167 M170 E174	G147-R151 VanDerWaalsContact O-CG 3.26Å; G147-R151 WeakPolarHBondContact O-CG 3.41Å; G147-R151 PolarHBondContact O-N 3.42Å; E149-R151 PolarHBondContact O-N 3.3Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-S155 WeakPolarHBondContact O-CB 3.46Å; R151-S155 PolarHBondContact O-N 3.48Å; R151-S155 VanDerWaalsContact O-N 3.15Å; R151-S155 PolarHBondContact O-OG 3.38Å; R151-I166 HydrophobicContact CB-CG2 4.18Å; R151-I166 HydrophobicContact CG-CG2 3.79Å; R151-D167 IonicContact CZ-OD1 3.38Å; R151-D167 IonicContact NH1-OD1 3.73Å; R151-D167 PolarHBondContact NH1-OD1 2.69Å; R151-M170 HydrophobicContact CG-CE 3.72Å; R151-M170 HydrophobicContact CG-CG 4.3Å; R151-E174 IonicContact CZ-OE1 2.62Å; R151-E174 IonicContact NE-OE1 3Å; R151-E174 PolarHBondContact NE-OE1 2.83Å; R151-E174 VanDerWaalsContact NE-OE1 3.13Å; R151-E174 IonicContact NH2-OE1 2.69Å; R151-E174 PolarHBondContact NH2-OE1 3.01Å
152	I	95.1	Very high	94.7	Very high	107 Å²	107	58.9 Å²	58.9	55%	0.549	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-41.9	176.2	-66.5	165.8	0	0	0	109.9	A148 E149 L150 S155 T156	A148-I152 WeakPolarHBondContact O-CG1 3.47Å; A148-I152 PolarHBondContact O-N 2.92Å; E149-I152 PolarHBondContact O-N 3.22Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.8Å; I152-S155 WeakPolarHBondContact CA-OG 3.38Å; I152-S155 PolarHBondContact O-N 3.47Å; I152-S155 PolarHBondContact O-OG 2.89Å; I152-S155 VanDerWaalsContact O-OG 3.06Å; I152-T156 HydrophobicContact CG2-CG2 4.25Å; I152-T156 WeakPolarHBondContact O-CB 3.36Å; I152-T156 VanDerWaalsContact O-CG2 3.29Å; I152-T156 WeakPolarHBondContact O-CG2 3.18Å; I152-T156 PolarHBondContact O-N 3.07Å; I152-T156 VanDerWaalsContact O-N 3.12Å; I152-T156 PolarHBondContact O-OG1 3.44Å
153	V	93.9	Very high	94.7	Very high	21 Å²	21	62.1 Å²	62.1	13%	0.127	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-51.3	178.6	167.4	0	0	0	0	111	F137 E149 L150 R151 S155 T156 L157	F137-V153 HydrophobicContact CD1-CG2 3.8Å; F137-V153 HydrophobicContact CD2-CG2 4.44Å; F137-V153 HydrophobicContact CE1-CG1 4.49Å; F137-V153 HydrophobicContact CE1-CG2 3.38Å; F137-V153 HydrophobicContact CE2-CG1 3.92Å; F137-V153 HydrophobicContact CE2-CG2 4.09Å; F137-V153 HydrophobicContact CG-CG2 4.32Å; F137-V153 HydrophobicContact CZ-CB 4.34Å; F137-V153 HydrophobicContact CZ-CG1 3.78Å; F137-V153 HydrophobicContact CZ-CG2 3.54Å; E149-V153 WeakPolarHBondContact O-CG2 3.46Å; E149-V153 PolarHBondContact O-N 3.11Å; L150-V153 WeakPolarHBondContact O-CB 3.3Å; L150-V153 PolarHBondContact O-N 3.13Å; L150-V153 VanDerWaalsContact O-N 3.15Å; R151-V153 VanDerWaalsContact C-N 3.33Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 3.08Å; V153-T156 PolarHBondContact O-N 3.45Å; V153-L157 HydrophobicContact CB-CD1 4.13Å; V153-L157 HydrophobicContact CG1-CD1 3.77Å; V153-L157 HydrophobicContact CG2-CD1 4.02Å; V153-L157 WeakPolarHBondContact O-CB 3.27Å; V153-L157 PolarHBondContact O-N 3.26Å
154	L	94.8	Very high	94.8	Very high	34 Å²	34	66.8 Å²	66.8	18%	0.178	37%	0.368	C	S	.	.	H	α-helix	trans	-65.3	-27.9	-178.1	-66.9	169.8	0	0	0	113.8	L150 M161 I166 L169 M170	L150-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 HydrophobicContact CD1-CG 4.31Å; L150-L154 HydrophobicContact CG-CD1 4.08Å; L150-L154 HydrophobicContact CG-CG 4.45Å; L150-L154 WeakPolarHBondContact O-CG 3.45Å; L150-L154 PolarHBondContact O-N 2.83Å; L154-M161 HydrophobicContact CB-SD 4.49Å; L154-M161 HydrophobicContact CD2-SD 4.3Å; L154-M161 PolarHBondContact O-N 3.36Å; L154-I166 HydrophobicContact CB-CD1 4.04Å; L154-I166 HydrophobicContact CB-CG1 4.04Å; L154-L169 HydrophobicContact CD1-CD2 3.93Å; L154-M170 HydrophobicContact CD1-SD 4.4Å
155	S	95.7	Very high	94.7	Very high	47 Å²	47	69.9 Å²	69.9	33%	0.329	38%	0.38	S	S	.	.	H	α-helix	trans	-87	-15.3	178	53.9	0	0	0	0	114.1	R151 I152 V153 K160	R151-S155 WeakPolarHBondContact O-CB 3.46Å; R151-S155 PolarHBondContact O-N 3.48Å; R151-S155 VanDerWaalsContact O-N 3.15Å; R151-S155 PolarHBondContact O-OG 3.38Å; I152-S155 WeakPolarHBondContact CA-OG 3.38Å; I152-S155 PolarHBondContact O-N 3.47Å; I152-S155 PolarHBondContact O-OG 2.89Å; I152-S155 VanDerWaalsContact O-OG 3.06Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 3.08Å; S155-K160 WeakPolarHBondContact O-CD 3.42Å; S155-K160 WeakPolarHBondContact O-CG 3.48Å
156	T	93.3	Very high	94.6	Very high	76 Å²	76	70 Å²	70	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-118.7	-35.9	-171.3	61.6	0	0	0	0	114.7	I152 V153 K160	I152-T156 HydrophobicContact CG2-CG2 4.25Å; I152-T156 WeakPolarHBondContact O-CB 3.36Å; I152-T156 VanDerWaalsContact O-CG2 3.29Å; I152-T156 WeakPolarHBondContact O-CG2 3.18Å; I152-T156 PolarHBondContact O-N 3.07Å; I152-T156 VanDerWaalsContact O-N 3.12Å; I152-T156 PolarHBondContact O-OG1 3.44Å; V153-T156 PolarHBondContact O-N 3.45Å; T156-K160 WeakPolarHBondContact O-CE 3.37Å
157	L	92.8	Very high	94.6	Very high	98 Å²	98	68.4 Å²	68.4	51%	0.513	38%	0.375	S	S	.	.	S	Bend	trans	-98.2	142.9	-173.8	-72.5	148.7	0	0	0	111.2	F137 V153	F137-L157 HydrophobicContact CZ-CD1 4.19Å; V153-L157 HydrophobicContact CB-CD1 4.13Å; V153-L157 HydrophobicContact CG1-CD1 3.77Å; V153-L157 HydrophobicContact CG2-CD1 4.02Å; V153-L157 WeakPolarHBondContact O-CB 3.27Å; V153-L157 PolarHBondContact O-N 3.26Å
158	G	91.3	Very high	94.5	Very high	73 Å²	73	72.1 Å²	72.1	75%	0.753	41%	0.405	S	S	*	.	S	Bend	trans	68.9	-135.8	175.5	0	0	0	0	0	114.1	K160	G158-K160 PolarHBondContact O-N 3.02Å
159	E	91.8	Very high	94.5	Very high	61 Å²	61	71.8 Å²	71.8	29%	0.285	40%	0.395	S	S	.	.	S	Bend	trans	-84.7	103.4	170.9	-63.4	-167.1	147.2	0	0	108.7	T85 N86 K87 M161	T85-E159 WeakPolarHBondContact CB-OE2 3.4Å; N86-E159 WeakPolarHBondContact CB-OE1 3.37Å; N86-E159 PolarHBondContact N-OE1 3.38Å; N86-E159 PolarHBondContact N-OE2 2.99Å; K87-E159 WeakPolarHBondContact CB-OE1 3.46Å; K87-E159 VanDerWaalsContact CG-OE1 3.27Å; K87-E159 WeakPolarHBondContact CG-OE1 3.38Å; K87-E159 PolarHBondContact N-OE1 3.43Å; E159-M161 PolarHBondContact O-N 2.9Å
160	K	94.5	Very high	94.5	Very high	148 Å²	148	69.7 Å²	69.7	64%	0.643	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-63.5	131.7	-171.7	-59.1	178.7	-179.5	-177	0	111.2	S155 T156 G158	S155-K160 WeakPolarHBondContact O-CD 3.42Å; S155-K160 WeakPolarHBondContact O-CG 3.48Å; T156-K160 WeakPolarHBondContact O-CE 3.37Å; G158-K160 PolarHBondContact O-N 3.02Å
161	M	94.3	Very high	94.5	Very high	74 Å²	74	72.6 Å²	72.6	37%	0.365	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-88.7	148.4	168.8	-64.7	178.7	179.8	0	0	110.5	L154 E159 E165 I166 L169	L154-M161 HydrophobicContact CB-SD 4.49Å; L154-M161 HydrophobicContact CD2-SD 4.3Å; L154-M161 PolarHBondContact O-N 3.36Å; E159-M161 PolarHBondContact O-N 2.9Å; M161-E165 WeakPolarHBondContact CA-OE2 3.34Å; M161-E165 HydrophobicContact CB-CB 4.15Å; M161-I166 HydrophobicContact CB-CD1 4.03Å; M161-I166 HydrophobicContact CB-CG1 3.6Å; M161-L169 HydrophobicContact CE-CD2 4.45Å; M161-L169 HydrophobicContact SD-CD2 4.05Å
162	N	95.4	Very high	94.4	Very high	79 Å²	79	73 Å²	73	42%	0.422	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-80.1	164.8	170.8	70.1	58.9	0	0	0	111.1	T164 E165 I166	N162-T164 VanDerWaalsContact C-N 3.29Å; N162-T164 PolarHBondContact O-N 3Å; N162-T164 VanDerWaalsContact OD1-CB 3.3Å; N162-T164 WeakPolarHBondContact OD1-CB 3.5Å; N162-T164 PolarHBondContact OD1-N 2.62Å; N162-T164 VanDerWaalsContact OD1-N 3.11Å; N162-E165 VanDerWaalsContact CG-OE2 3.24Å; N162-E165 PolarHBondContact N-OE2 2.82Å; N162-E165 WeakPolarHBondContact ND2-CG 3.05Å; N162-E165 PolarHBondContact ND2-OE1 2.86Å; N162-E165 PolarHBondContact ND2-OE2 3.08Å; N162-E165 PolarHBondContact O-N 3.5Å; N162-E165 VanDerWaalsContact O-N 3.17Å; N162-E165 WeakPolarHBondContact OD1-CG 3.23Å; N162-E165 PolarHBondContact OD1-N 3.44Å; N162-I166 WeakPolarHBondContact O-CG1 3.49Å; N162-I166 PolarHBondContact O-N 3.21Å
163	E	95.2	Very high	94.4	Very high	154 Å²	154	69.8 Å²	69.8	72%	0.72	42%	0.42	S	S	*	.	H	α-helix	trans	-57.4	-41.1	-175.9	-170.6	171.6	-165.2	0	0	112.4	E165 I166 D167	E163-E165 PolarHBondContact O-N 2.82Å; E163-I166 PolarHBondContact O-N 3.41Å; E163-D167 WeakPolarHBondContact O-CB 3.17Å; E163-D167 PolarHBondContact O-N 2.94Å
164	T	96.6	Very high	94.5	Very high	109 Å²	109	72.4 Å²	72.4	67%	0.669	43%	0.43	S	S	*	.	H	α-helix	trans	-63.3	-42.5	177.8	-46.1	0	0	0	0	112.5	N162 A168	N162-T164 VanDerWaalsContact C-N 3.29Å; N162-T164 PolarHBondContact O-N 3Å; N162-T164 VanDerWaalsContact OD1-CB 3.3Å; N162-T164 WeakPolarHBondContact OD1-CB 3.5Å; N162-T164 PolarHBondContact OD1-N 2.62Å; N162-T164 VanDerWaalsContact OD1-N 3.11Å; T164-A168 WeakPolarHBondContact O-CB 3.36Å; T164-A168 PolarHBondContact O-N 3.4Å
165	E	94.8	Very high	94.6	Very high	97 Å²	97	74.5 Å²	74.5	45%	0.453	44%	0.442	S	S	.	.	H	α-helix	trans	-64.3	-42.7	176.6	-71.8	167.1	155.6	0	0	111	M161 N162 E163 A168 L169	M161-E165 WeakPolarHBondContact CA-OE2 3.34Å; M161-E165 HydrophobicContact CB-CB 4.15Å; N162-E165 VanDerWaalsContact CG-OE2 3.24Å; N162-E165 PolarHBondContact N-OE2 2.82Å; N162-E165 WeakPolarHBondContact ND2-CG 3.05Å; N162-E165 PolarHBondContact ND2-OE1 2.86Å; N162-E165 PolarHBondContact ND2-OE2 3.08Å; N162-E165 PolarHBondContact O-N 3.5Å; N162-E165 VanDerWaalsContact O-N 3.17Å; N162-E165 WeakPolarHBondContact OD1-CG 3.23Å; N162-E165 PolarHBondContact OD1-N 3.44Å; E163-E165 PolarHBondContact O-N 2.82Å; E165-A168 PolarHBondContact O-N 3.07Å; E165-L169 WeakPolarHBondContact O-CB 3.48Å; E165-L169 PolarHBondContact O-N 3.43Å
166	I	95.9	Very high	94.5	Very high	8 Å²	8	81.9 Å²	81.9	4%	0.041	47%	0.471	C	S	.	.	H	α-helix	trans	-66	-45.3	178.2	-65.6	169.1	0	0	0	110.4	R151 L154 M161 N162 E163 A168 L169 M170	R151-I166 HydrophobicContact CB-CG2 4.18Å; R151-I166 HydrophobicContact CG-CG2 3.79Å; L154-I166 HydrophobicContact CB-CD1 4.04Å; L154-I166 HydrophobicContact CB-CG1 4.04Å; M161-I166 HydrophobicContact CB-CD1 4.03Å; M161-I166 HydrophobicContact CB-CG1 3.6Å; N162-I166 WeakPolarHBondContact O-CG1 3.49Å; N162-I166 PolarHBondContact O-N 3.21Å; E163-I166 PolarHBondContact O-N 3.41Å; I166-A168 VanDerWaalsContact C-N 3.32Å; I166-A168 PolarHBondContact O-N 2.9Å; I166-L169 PolarHBondContact O-N 3.21Å; I166-M170 HydrophobicContact CG2-CG 3.87Å; I166-M170 VanDerWaalsContact O-CB 3.23Å; I166-M170 WeakPolarHBondContact O-CB 3.4Å; I166-M170 WeakPolarHBondContact O-CG 3.39Å; I166-M170 PolarHBondContact O-N 3.29Å
167	D	95.5	Very high	94.6	Very high	73 Å²	73	84.8 Å²	84.8	39%	0.39	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-42.6	178.7	-79.5	-19.5	0	0	0	111.9	R151 E163 M170 A171	R151-D167 IonicContact CZ-OD1 3.38Å; R151-D167 IonicContact NH1-OD1 3.73Å; R151-D167 PolarHBondContact NH1-OD1 2.69Å; E163-D167 WeakPolarHBondContact O-CB 3.17Å; E163-D167 PolarHBondContact O-N 2.94Å; D167-M170 PolarHBondContact O-N 3.25Å; D167-A171 PolarHBondContact O-N 3.38Å; D167-A171 VanDerWaalsContact O-N 3.13Å
168	A	94.7	Very high	94.7	Very high	77 Å²	77	81.1 Å²	81.1	64%	0.636	47%	0.47	S	S	*	.	H	α-helix	trans	-63.2	-42.5	175.6	0	0	0	0	0	111.9	T164 E165 I166	T164-A168 WeakPolarHBondContact O-CB 3.36Å; T164-A168 PolarHBondContact O-N 3.4Å; E165-A168 PolarHBondContact O-N 3.07Å; I166-A168 VanDerWaalsContact C-N 3.32Å; I166-A168 PolarHBondContact O-N 2.9Å
169	L	94.4	Very high	94.9	Very high	48 Å²	48	79.2 Å²	79.2	25%	0.251	45%	0.445	S	S	.	.	H	α-helix	trans	-68.1	-37	179.5	-178.6	62.1	0	0	0	112.9	L154 M161 E165 I166 F185 I189	L154-L169 HydrophobicContact CD1-CD2 3.93Å; M161-L169 HydrophobicContact CE-CD2 4.45Å; M161-L169 HydrophobicContact SD-CD2 4.05Å; E165-L169 WeakPolarHBondContact O-CB 3.48Å; E165-L169 PolarHBondContact O-N 3.43Å; I166-L169 PolarHBondContact O-N 3.21Å; L169-F185 HydrophobicContact CD1-CE2 4.23Å; L169-F185 HydrophobicContact CD1-CZ 4.09Å; L169-F185 HydrophobicContact CD2-CZ 3.99Å; L169-F185 HydrophobicContact CG-CE2 4.07Å; L169-F185 HydrophobicContact CG-CZ 3.82Å; L169-I189 HydrophobicContact CD1-CG2 3.69Å
170	M	94.1	Very high	95.2	Very high	2 Å²	2	76.3 Å²	76.3	1%	0.01	43%	0.431	C	S	.	.	H	α-helix	trans	-86.4	-9.7	-174.8	-65.6	-77.4	-66	0	0	113	G147 L150 R151 L154 I166 D167 G172 Q173 E174 I180	G147-M170 WeakPolarHBondContact O-CE 3.37Å; L150-M170 HydrophobicContact CB-CE 4.42Å; L150-M170 HydrophobicContact CD2-CE 4.43Å; L150-M170 HydrophobicContact CD2-SD 3.8Å; L150-M170 HydrophobicContact CG-SD 4.13Å; R151-M170 HydrophobicContact CG-CE 3.72Å; R151-M170 HydrophobicContact CG-CG 4.3Å; L154-M170 HydrophobicContact CD1-SD 4.4Å; I166-M170 HydrophobicContact CG2-CG 3.87Å; I166-M170 VanDerWaalsContact O-CB 3.23Å; I166-M170 WeakPolarHBondContact O-CB 3.4Å; I166-M170 WeakPolarHBondContact O-CG 3.39Å; I166-M170 PolarHBondContact O-N 3.29Å; D167-M170 PolarHBondContact O-N 3.25Å; M170-G172 PolarHBondContact O-N 3.42Å; M170-G172 VanDerWaalsContact O-N 3.17Å; M170-Q173 PolarHBondContact O-N 2.94Å; M170-Q173 VanDerWaalsContact O-N 3.13Å; M170-E174 HydrophobicContact CE-CG 4.39Å; M170-E174 WeakPolarHBondContact CE-OE1 3.5Å; M170-I180 HydrophobicContact CE-CD1 3.15Å; M170-I180 HydrophobicContact SD-CD1 3.73Å
171	A	94.4	Very high	95.3	Very high	66 Å²	66	72.8 Å²	72.8	55%	0.545	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	119.5	-177.9	0	0	0	0	0	111.6	D167 Q173	D167-A171 PolarHBondContact O-N 3.38Å; D167-A171 VanDerWaalsContact O-N 3.13Å; A171-Q173 VanDerWaalsContact C-N 3.27Å; A171-Q173 PolarHBondContact O-N 3.15Å; A171-Q173 PolarHBondContact O-NE2 2.96Å
172	G	93.9	Very high	95.4	Very high	80 Å²	80	69.6 Å²	69.6	83%	0.825	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	10.7	177.8	0	0	0	0	0	115.5	M170	M170-G172 PolarHBondContact O-N 3.42Å; M170-G172 VanDerWaalsContact O-N 3.17Å
173	Q	95.8	Very high	95.5	Very high	41 Å²	41	69.3 Å²	69.3	19%	0.192	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-24.1	179.2	-55.5	-56.9	-59.1	0	0	113.1	M170 A171 I180 F185 H188	M170-Q173 PolarHBondContact O-N 2.94Å; M170-Q173 VanDerWaalsContact O-N 3.13Å; A171-Q173 VanDerWaalsContact C-N 3.27Å; A171-Q173 PolarHBondContact O-N 3.15Å; A171-Q173 PolarHBondContact O-NE2 2.96Å; Q173-I180 HydrophobicContact CB-CD1 4.48Å; Q173-I180 HydrophobicContact CB-CG1 4.49Å; Q173-I180 HydrophobicContact CB-CG2 4.47Å; Q173-F185 HydrophobicContact CB-CD2 4.15Å; Q173-F185 HydrophobicContact CG-CD2 3.77Å; Q173-F185 HydrophobicContact CG-CE2 4.03Å; Q173-H188 PolarHBondContact NE2-CD2 3.06Å
174	E	96.4	Very high	95.5	Very high	75 Å²	75	64.4 Å²	64.4	35%	0.35	39%	0.385	S	S	.	.			trans	-80.6	137	179.1	-68.2	174.7	-170	0	0	111	R151 M170 C179 I180	R151-E174 IonicContact CZ-OE1 2.62Å; R151-E174 IonicContact NE-OE1 3Å; R151-E174 PolarHBondContact NE-OE1 2.83Å; R151-E174 VanDerWaalsContact NE-OE1 3.13Å; R151-E174 IonicContact NH2-OE1 2.69Å; R151-E174 PolarHBondContact NH2-OE1 3.01Å; M170-E174 HydrophobicContact CE-CG 4.39Å; M170-E174 WeakPolarHBondContact CE-OE1 3.5Å; E174-C179 CarbonylContact C-O 3.47Å; E174-C179 WeakPolarHBondContact CA-O 3.31Å; E174-I180 HydrophobicContact CG-CD1 3.89Å; E174-I180 HydrophobicContact CG-CG1 3.78Å
175	D	95.3	Very high	95.5	Very high	78 Å²	78	59.5 Å²	59.5	42%	0.417	36%	0.355	S	S	.	.			trans	-80.5	-175.8	172	74.3	6.1	0	0	0	112.4	N177 G178 C179	D175-N177 PolarHBondContact O-N 3.39Å; D175-N177 VanDerWaalsContact OD1-CA 3.31Å; D175-N177 WeakPolarHBondContact OD1-CA 3.4Å; D175-N177 WeakPolarHBondContact OD1-CB 3.37Å; D175-N177 PolarHBondContact OD1-N 3.31Å; D175-G178 PolarHBondContact O-N 3.15Å; D175-G178 PolarHBondContact OD1-N 2.66Å; D175-G178 VanDerWaalsContact OD1-N 3.08Å; D175-C179 PolarHBondContact N-O 2.82Å; D175-C179 PolarHBondContact OD1-N 3.22Å
176	E	95.1	Very high	95.5	Very high	202 Å²	202	54.9 Å²	54.9	94%	0.944	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.3	179.2	-62.2	-174.1	135.2	0	0	113.8
177	N	93.7	Very high	95.5	Very high	137 Å²	137	60.2 Å²	60.2	73%	0.733	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	0.4	178.7	-54.1	-53.9	0	0	0	112.6	D175 C179	D175-N177 PolarHBondContact O-N 3.39Å; D175-N177 VanDerWaalsContact OD1-CA 3.31Å; D175-N177 WeakPolarHBondContact OD1-CA 3.4Å; D175-N177 WeakPolarHBondContact OD1-CB 3.37Å; D175-N177 PolarHBondContact OD1-N 3.31Å; N177-C179 VanDerWaalsContact C-N 3.31Å
178	G	95.2	Very high	95.4	Very high	22 Å²	22	61 Å²	61	23%	0.227	36%	0.357	C	S	.	.	S	Bend	trans	75.2	20.3	-174.3	0	0	0	0	0	113.5	G147 D175	G147-G178 PolarHBondContact N-O 3.12Å; D175-G178 PolarHBondContact O-N 3.15Å; D175-G178 PolarHBondContact OD1-N 2.66Å; D175-G178 VanDerWaalsContact OD1-N 3.08Å
179	C	96.4	Very high	95.2	Very high	32 Å²	32	59.5 Å²	59.5	22%	0.216	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	152	177.6	-69.2	0	0	0	0	111.1	V145 E174 D175 N177	V145-C179 CarbonylContact O-C 3.53Å; V145-C179 WeakPolarHBondContact O-CA 3.5Å; E174-C179 CarbonylContact C-O 3.47Å; E174-C179 WeakPolarHBondContact CA-O 3.31Å; D175-C179 PolarHBondContact N-O 2.82Å; D175-C179 PolarHBondContact OD1-N 3.22Å; N177-C179 VanDerWaalsContact C-N 3.31Å
180	I	97.3	Very high	95	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.3	-178.5	-62.4	173.1	0	0	0	108.6	T144 V145 L150 M170 Q173 E174 Y182 F185	T144-I180 CarbonylContact C-O 3.49Å; T144-I180 WeakPolarHBondContact CA-O 3.26Å; V145-I180 HydrophobicContact CG2-CB 4.2Å; V145-I180 PolarHBondContact N-O 3.39Å; V145-I180 PolarHBondContact O-N 2.94Å; L150-I180 HydrophobicContact CD2-CD1 3.78Å; M170-I180 HydrophobicContact CE-CD1 3.15Å; M170-I180 HydrophobicContact SD-CD1 3.73Å; Q173-I180 HydrophobicContact CB-CD1 4.48Å; Q173-I180 HydrophobicContact CB-CG1 4.49Å; Q173-I180 HydrophobicContact CB-CG2 4.47Å; E174-I180 HydrophobicContact CG-CD1 3.89Å; E174-I180 HydrophobicContact CG-CG1 3.78Å; I180-Y182 PolarHBondContact O-N 3.2Å; I180-F185 HydrophobicContact CG2-CB 3.81Å; I180-F185 HydrophobicContact CG2-CD2 4.38Å; I180-F185 HydrophobicContact CG2-CG 4.15Å
181	N	97.6	Very high	94.6	Very high	74 Å²	74	66.3 Å²	66.3	40%	0.396	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	107	166.7	-177.1	-81.1	0	0	0	109	G143 E183 A184 F185	G143-N181 WeakPolarHBondContact O-CA 3.41Å; G143-N181 PolarHBondContact O-ND2 3.14Å; N181-E183 VanDerWaalsContact C-N 3.32Å; N181-E183 PolarHBondContact O-N 3.48Å; N181-E183 PolarHBondContact OD1-N 2.99Å; N181-A184 HydrophobicContact CB-CB 4.12Å; N181-A184 PolarHBondContact O-N 3.09Å; N181-A184 VanDerWaalsContact OD1-CB 3.3Å; N181-A184 WeakPolarHBondContact OD1-CB 3.47Å; N181-A184 PolarHBondContact OD1-N 3.45Å; N181-F185 WeakPolarHBondContact O-CB 3.47Å; N181-F185 PolarHBondContact O-N 3.14Å
182	Y	96.3	Very high	93.1	Very high	6 Å²	6	70.1 Å²	70.1	2%	0.024	40%	0.397	C	S	.	.	H	α-helix	trans	-69.6	-27.8	-171.4	53.3	-100.2	0	0	0	113.2	V131 L134 R135 D138 G143 V145 I180 F185 V186	V131-Y182 HydrophobicContact CG1-CD2 4.09Å; V131-Y182 HydrophobicContact CG1-CE2 3.83Å; L134-Y182 HydrophobicContact CB-CD2 4.37Å; L134-Y182 HydrophobicContact CB-CG 4.13Å; R135-Y182 HydrophobicContact CB-CE2 4.47Å; D138-Y182 HydrophobicContact CB-CE1 3.74Å; D138-Y182 WeakPolarHBondContact OD2-CE1 3.34Å; D138-Y182 PolarHBondContact OD2-OH 2.76Å; D138-Y182 VanDerWaalsContact OD2-OH 3.08Å; G143-Y182 VanDerWaalsContact CA-CE1 3.43Å; G143-Y182 WeakPolarHBondContact O-CD1 3.45Å; G143-Y182 WeakPolarHBondContact O-CE1 3.35Å; G143-Y182 PolarHBondContact O-N 3.32Å; V145-Y182 HydrophobicContact CG1-CD1 3.98Å; I180-Y182 PolarHBondContact O-N 3.2Å; Y182-F185 PolarHBondContact O-N 3.32Å; Y182-V186 WeakPolarHBondContact O-CB 3.48Å; Y182-V186 WeakPolarHBondContact O-CG2 3.35Å; Y182-V186 PolarHBondContact O-N 3.12Å
183	E	96.4	Very high	93	Very high	74 Å²	74	69.6 Å²	69.6	35%	0.346	38%	0.376	S	S	.	.	H	α-helix	trans	-67.7	-43.4	174.2	-70.6	-172	-161.4	0	0	112.1	F127 V131 N181 V186 K187	F127-E183 HydrophobicContact CZ-CB 4.31Å; V131-E183 HydrophobicContact CG1-CG 4.04Å; V131-E183 HydrophobicContact CG2-CG 4.15Å; N181-E183 VanDerWaalsContact C-N 3.32Å; N181-E183 PolarHBondContact O-N 3.48Å; N181-E183 PolarHBondContact OD1-N 2.99Å; E183-V186 PolarHBondContact O-N 2.93Å; E183-K187 WeakPolarHBondContact O-CG 3.41Å; E183-K187 PolarHBondContact O-N 2.81Å
184	A	96.1	Very high	92.9	Very high	50 Å²	50	71.1 Å²	71.1	41%	0.413	39%	0.385	S	S	.	.	H	α-helix	trans	-65.2	-41.8	175.2	0	0	0	0	0	111	N181 K187 H188	N181-A184 HydrophobicContact CB-CB 4.12Å; N181-A184 PolarHBondContact O-N 3.09Å; N181-A184 VanDerWaalsContact OD1-CB 3.3Å; N181-A184 WeakPolarHBondContact OD1-CB 3.47Å; N181-A184 PolarHBondContact OD1-N 3.45Å; A184-K187 PolarHBondContact O-N 3.09Å; A184-H188 PolarHBondContact O-N 2.99Å
185	F	96.1	Very high	92.7	Very high	7 Å²	7	70.9 Å²	70.9	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-47.5	174.2	179	-107.1	0	0	0	111.7	L134 L150 L169 Q173 I180 N181 Y182 K187 H188 I189	L134-F185 HydrophobicContact CD1-CD1 4Å; L134-F185 HydrophobicContact CD1-CE1 4.48Å; L150-F185 HydrophobicContact CD2-CD1 4.42Å; L150-F185 HydrophobicContact CD2-CE1 4.14Å; L150-F185 HydrophobicContact CD2-CZ 4.34Å; L169-F185 HydrophobicContact CD1-CE2 4.23Å; L169-F185 HydrophobicContact CD1-CZ 4.09Å; L169-F185 HydrophobicContact CD2-CZ 3.99Å; L169-F185 HydrophobicContact CG-CE2 4.07Å; L169-F185 HydrophobicContact CG-CZ 3.82Å; Q173-F185 HydrophobicContact CB-CD2 4.15Å; Q173-F185 HydrophobicContact CG-CD2 3.77Å; Q173-F185 HydrophobicContact CG-CE2 4.03Å; I180-F185 HydrophobicContact CG2-CB 3.81Å; I180-F185 HydrophobicContact CG2-CD2 4.38Å; I180-F185 HydrophobicContact CG2-CG 4.15Å; N181-F185 WeakPolarHBondContact O-CB 3.47Å; N181-F185 PolarHBondContact O-N 3.14Å; Y182-F185 PolarHBondContact O-N 3.32Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.32Å; F185-H188 WeakPolarHBondContact O-CB 3.35Å; F185-H188 PolarHBondContact O-N 2.74Å; F185-H188 VanDerWaalsContact O-N 3.11Å; F185-I189 HydrophobicContact CD2-CG2 4.46Å; F185-I189 HydrophobicContact CE1-CD1 4.36Å; F185-I189 HydrophobicContact CE1-CG2 4.21Å; F185-I189 HydrophobicContact CE2-CG2 4.07Å; F185-I189 HydrophobicContact CZ-CG2 3.94Å; F185-I189 WeakPolarHBondContact O-CG2 3.37Å; F185-I189 PolarHBondContact O-N 3.4Å
186	V	95.5	Very high	92.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.1	-40	177.4	175.8	0	0	0	0	111.3	F127 Y130 V131 L134 Y182 E183 H188 I189 M190	F127-V186 HydrophobicContact CD2-CB 4.2Å; F127-V186 HydrophobicContact CD2-CG1 3.42Å; F127-V186 VanDerWaalsContact CD2-CG1 3.42Å; F127-V186 HydrophobicContact CE2-CB 3.79Å; F127-V186 HydrophobicContact CE2-CG1 3.55Å; F127-V186 HydrophobicContact CG-CG1 4.4Å; Y130-V186 HydrophobicContact CD2-CG1 4.38Å; Y130-V186 HydrophobicContact CG-CG1 4.24Å; V131-V186 HydrophobicContact CG2-CB 4.26Å; V131-V186 HydrophobicContact CG2-CG1 4.35Å; V131-V186 HydrophobicContact CG2-CG2 4.26Å; L134-V186 HydrophobicContact CD1-CG2 3.62Å; Y182-V186 WeakPolarHBondContact O-CB 3.48Å; Y182-V186 WeakPolarHBondContact O-CG2 3.35Å; Y182-V186 PolarHBondContact O-N 3.12Å; E183-V186 PolarHBondContact O-N 2.93Å; V186-H188 VanDerWaalsContact C-N 3.29Å; V186-H188 PolarHBondContact O-N 3.3Å; V186-I189 HydrophobicContact CG2-CD1 4.41Å; V186-I189 WeakPolarHBondContact O-CG1 3.29Å; V186-I189 PolarHBondContact O-N 3.49Å; V186-M190 HydrophobicContact CG1-CG 4.21Å; V186-M190 HydrophobicContact CG1-SD 3.76Å; V186-M190 WeakPolarHBondContact O-CB 3.47Å; V186-M190 VanDerWaalsContact O-CG 3.27Å; V186-M190 WeakPolarHBondContact O-CG 3.44Å; V186-M190 PolarHBondContact O-N 3.43Å
187	K	94.8	Very high	92.4	Very high	120 Å²	120	62.3 Å²	62.3	52%	0.522	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-39.9	173.7	-74	172.7	-173.8	159.8	0	111.8	F127 E183 A184 F185 S191	F127-K187 HydrophobicContact CD2-CG 4.29Å; F127-K187 HydrophobicContact CE2-CD 4.47Å; F127-K187 HydrophobicContact CE2-CG 3.56Å; F127-K187 HydrophobicContact CZ-CG 4.11Å; E183-K187 WeakPolarHBondContact O-CG 3.41Å; E183-K187 PolarHBondContact O-N 2.81Å; A184-K187 PolarHBondContact O-N 3.09Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.32Å; K187-S191 WeakPolarHBondContact O-CB 3.47Å; K187-S191 PolarHBondContact O-N 3.35Å; K187-S191 VanDerWaalsContact O-N 3.1Å
188	H	93.4	Very high	92.3	Very high	89 Å²	89	57.3 Å²	57.3	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-51.3	177.8	-179.4	61.5	0	0	0	111.3	Q173 A184 F185 V186 M190 S191 V192	Q173-H188 PolarHBondContact NE2-CD2 3.06Å; A184-H188 PolarHBondContact O-N 2.99Å; F185-H188 WeakPolarHBondContact O-CB 3.35Å; F185-H188 PolarHBondContact O-N 2.74Å; F185-H188 VanDerWaalsContact O-N 3.11Å; V186-H188 VanDerWaalsContact C-N 3.29Å; V186-H188 PolarHBondContact O-N 3.3Å; H188-M190 VanDerWaalsContact C-N 3.29Å; H188-M190 PolarHBondContact O-N 3.43Å; H188-S191 PolarHBondContact O-N 3.4Å; H188-V192 PolarHBondContact O-N 3.49Å
189	I	91.6	Very high	92.1	Very high	46 Å²	46	59.8 Å²	59.8	24%	0.236	33%	0.332	C	S	.	.	H	α-helix	trans	-68.5	-23.6	-178.7	68.2	-179	0	0	0	113.8	L169 F185 V186 V192	L169-I189 HydrophobicContact CD1-CG2 3.69Å; F185-I189 HydrophobicContact CD2-CG2 4.46Å; F185-I189 HydrophobicContact CE1-CD1 4.36Å; F185-I189 HydrophobicContact CE1-CG2 4.21Å; F185-I189 HydrophobicContact CE2-CG2 4.07Å; F185-I189 HydrophobicContact CZ-CG2 3.94Å; F185-I189 WeakPolarHBondContact O-CG2 3.37Å; F185-I189 PolarHBondContact O-N 3.4Å; V186-I189 HydrophobicContact CG2-CD1 4.41Å; V186-I189 WeakPolarHBondContact O-CG1 3.29Å; V186-I189 PolarHBondContact O-N 3.49Å; I189-V192 WeakPolarHBondContact O-CG2 3.38Å
190	M	89.6	Confident	91.7	Very high	87 Å²	87	61.9 Å²	61.9	43%	0.429	34%	0.341	S	S	.	.	H	α-helix	trans	-92.1	-9.3	177.5	-66.3	-172.9	79.7	0	0	113.3	F127 Y130 V186 H188	F127-M190 HydrophobicContact CB-SD 3.95Å; F127-M190 HydrophobicContact CD2-SD 4.04Å; Y130-M190 HydrophobicContact CD2-CE 4.42Å; Y130-M190 HydrophobicContact CD2-SD 3.92Å; Y130-M190 HydrophobicContact CE2-CE 4.32Å; Y130-M190 HydrophobicContact CE2-SD 4.28Å; V186-M190 HydrophobicContact CG1-CG 4.21Å; V186-M190 HydrophobicContact CG1-SD 3.76Å; V186-M190 WeakPolarHBondContact O-CB 3.47Å; V186-M190 VanDerWaalsContact O-CG 3.27Å; V186-M190 WeakPolarHBondContact O-CG 3.44Å; V186-M190 PolarHBondContact O-N 3.43Å; H188-M190 VanDerWaalsContact C-N 3.29Å; H188-M190 PolarHBondContact O-N 3.43Å
191	S	86.2	Confident	91.3	Very high	105 Å²	105	67 Å²	67	73%	0.734	37%	0.369	S	S	*	.	H	α-helix	trans	-95.9	-11.4	178	-177.1	0	0	0	0	113	K187 H188	K187-S191 WeakPolarHBondContact O-CB 3.47Å; K187-S191 PolarHBondContact O-N 3.35Å; K187-S191 VanDerWaalsContact O-N 3.1Å; H188-S191 PolarHBondContact O-N 3.4Å
192	V	61.8	Low	90.7	Very high	146 Å²	146	66.4 Å²	66.4	89%	0.885	37%	0.366	S	S	*	.			trans	-85.5	0	172.6	-70.4	0	0	0	0	110.6	H188 I189	H188-V192 PolarHBondContact O-N 3.49Å; I189-V192 WeakPolarHBondContact O-CG2 3.38Å

Retrieved 192 of 192 residues in 187.3 ms (Link to these results)

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