A0A077ZED5_TRITR Loading...

DDRGK domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A077ZED5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.2	Very low	40.7	Very low	244 Å²	244	159.3 Å²	159.3	100%	1.202	85%	0.853	S	S	*	*				0	138.8	0	-76.7	177.2	175.8	0	0	108.7
2	N	37.8	Very low	40.7	Very low	151 Å²	151	153.4 Å²	153.4	81%	0.807	83%	0.83	S	S	*	*			trans	-36.8	147	178	-66.2	-16.5	0	0	0	115
3	T	39.2	Very low	42	Very low	130 Å²	130	150.1 Å²	150.1	80%	0.798	82%	0.821	S	S	*	*				-179.8	129.8	84.4	39.6	0	0	0	0	111
4	A	46.7	Very low	41.5	Very low	103 Å²	103	150.7 Å²	150.7	85%	0.851	82%	0.822	S	S	*	*			trans	-68.9	138.8	165.5	0	0	0	0	0	111.5
5	V	46.2	Very low	41	Very low	141 Å²	141	156.9 Å²	156.9	86%	0.855	83%	0.828	S	S	*	*			trans	-139.2	121.5	155.2	-174.8	0	0	0	0	104.5
6	G	36.7	Very low	40.8	Very low	69 Å²	69	151.7 Å²	151.7	71%	0.711	82%	0.815	S	S	*	*			cis	127.8	87.4	16.4	0	0	0	0	0	109.2
7	G	38.2	Very low	40.4	Very low	77 Å²	77	149.6 Å²	149.6	79%	0.794	81%	0.809	S	S	*	*			trans	79.5	159.4	157.2	0	0	0	0	0	116.9
8	L	36.8	Very low	40.1	Very low	143 Å²	143	150.1 Å²	150.1	75%	0.749	81%	0.811	S	S	*	*			cis	179.9	144.8	-2.6	-175.7	71.9	0	0	0	106.3
9	R	40	Very low	39.7	Very low	225 Å²	225	148.9 Å²	148.9	85%	0.849	80%	0.804	S	S	*	*			trans	125.5	95.4	154.6	-68.8	160.4	174	-124.4	-4.2	112.6
10	R	38.4	Very low	39.4	Very low	232 Å²	232	149.5 Å²	149.5	88%	0.875	80%	0.801	S	S	*	*				73.5	100.6	72.7	-74.2	-166.4	171.8	-168.3	-0.4	115.6
11	R	45	Very low	39	Very low	237 Å²	237	149.7 Å²	149.7	89%	0.894	80%	0.802	S	S	*	*			trans	45.4	160.9	135.3	-103.6	179.6	96	165.7	3.4	120.4
12	P	40.9	Very low	38.6	Very low	89 Å²	89	142.9 Å²	142.9	58%	0.578	77%	0.774	S	S	*	*			cis	-136.8	178.6	-0.3	26.9	-1.6	0	0	0	115.3
13	P	58	Low	38.5	Very low	110 Å²	110	141.9 Å²	141.9	71%	0.714	77%	0.769	S	S	*	*			trans	-82.3	143.1	174.7	34.2	-32	0	0	0	110.5
14	L	34.5	Very low	38.5	Very low	159 Å²	159	140.4 Å²	140.4	83%	0.832	76%	0.764	S	S	*	*			trans	-155.9	127.8	158.3	-97.2	128.7	0	0	0	109.3
15	R	33.8	Very low	38	Very low	243 Å²	243	142.2 Å²	142.2	92%	0.917	76%	0.759	S	S	*	*			trans	82	121.3	151.7	-145.1	172.1	-171.7	166.6	1.6	114.1
16	A	38.4	Very low	37.8	Very low	74 Å²	74	139.1 Å²	139.1	61%	0.612	74%	0.738	S	S	*	*			cis	-161.3	150.3	-0.9	0	0	0	0	0	105.4
17	T	33.3	Very low	37.8	Very low	116 Å²	116	143.6 Å²	143.6	71%	0.712	74%	0.74	S	S	*	*			trans	33.5	120	143.1	58.3	0	0	0	0	116.9	D19	T17-D19 PolarHBondContact O-N 3.41Å
18	N	35.2	Very low	37.9	Very low	159 Å²	159	144.7 Å²	144.7	85%	0.85	73%	0.733	S	S	*	*			trans	-34.6	92.3	137.1	-72.5	-17.8	0	0	0	110.1
19	D	33.1	Very low	38.1	Very low	127 Å²	127	144 Å²	144	68%	0.679	73%	0.729	S	S	*	*			trans	-96.8	102.2	133.5	-90.7	-21.9	0	0	0	100.8	T17 L21	T17-D19 PolarHBondContact O-N 3.41Å; D19-L21 PolarHBondContact O-N 3.39Å
20	E	33.8	Very low	38	Very low	160 Å²	160	141.2 Å²	141.2	75%	0.748	72%	0.723	S	S	*	*				32.6	39.6	72	-83	-167.5	140.2	0	0	112.2
21	L	31.8	Very low	38.1	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	71%	0.705	S	S	*	*			trans	-90.8	63.5	134.8	-65.3	171.7	0	0	0	106.2	D19 D23	D19-L21 PolarHBondContact O-N 3.39Å; L21-D23 PolarHBondContact O-N 2.92Å
22	T	32	Very low	37.9	Very low	101 Å²	101	130 Å²	130	62%	0.62	70%	0.698	S	S	*	*			trans	-44.4	99.6	138.1	8.1	0	0	0	0	105	S24	T22-S24 PolarHBondContact O-N 3.3Å
23	D	36	Very low	38.1	Very low	130 Å²	130	128.2 Å²	128.2	70%	0.695	68%	0.683	S	S	*	*			trans	-63.4	65.5	161.7	-167.1	23.2	0	0	0	106.3	L21 D25	L21-D23 PolarHBondContact O-N 2.92Å; D23-D25 PolarHBondContact O-N 3.49Å
24	S	39	Very low	37.7	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	55.4	-179.5	176.8	0	0	0	0	107.9	T22	T22-S24 PolarHBondContact O-N 3.3Å
25	D	36.8	Very low	38.6	Very low	140 Å²	140	123.7 Å²	123.7	75%	0.749	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.6	30.7	170.4	-102.9	-14.6	0	0	0	112.3	D23 E27	D23-D25 PolarHBondContact O-N 3.49Å; D25-E27 VanDerWaalsContact C-N 3.33Å
26	D	41.5	Very low	39.5	Very low	76 Å²	76	115.1 Å²	115.1	41%	0.406	65%	0.645	S	S	.	*			trans	-102.3	30.6	159.5	-130.6	-9.8	0	0	0	110.7	R56	D26-R56 IonicContact OD1-CZ 3.91Å; D26-R56 IonicContact OD1-NH1 3.34Å; D26-R56 PolarHBondContact OD1-NH1 2.92Å; D26-R56 IonicContact OD2-NH1 3.63Å
27	E	37.6	Very low	39.9	Very low	163 Å²	163	117.9 Å²	117.9	76%	0.762	64%	0.643	S	S	*	*	S	Bend	trans	-55.3	137.1	155.5	-86.1	-157.6	-179.7	0	0	108	D25 I29	D25-E27 VanDerWaalsContact C-N 3.33Å; E27-I29 PolarHBondContact O-N 2.86Å
28	P	41.1	Very low	40.9	Very low	100 Å²	100	116.5 Å²	116.5	65%	0.649	63%	0.63	S	S	*	*			trans	-59.7	106.8	-177.6	26.5	-33.5	0	0	0	107.5	K30	P28-K30 PolarHBondContact O-N 3.09Å
29	I	40.7	Very low	41.9	Very low	130 Å²	130	117.1 Å²	117.1	67%	0.667	63%	0.628	S	S	*	*			trans	-63.1	90.2	149.8	-54	177.4	0	0	0	102.9	E27 L31	E27-I29 PolarHBondContact O-N 2.86Å; I29-L31 HydrophobicContact CB-CG 4.34Å; I29-L31 HydrophobicContact CG2-CD2 3.74Å; I29-L31 HydrophobicContact CG2-CG 3.77Å; I29-L31 PolarHBondContact O-N 2.85Å
30	K	37.9	Very low	43.1	Very low	165 Å²	165	120.1 Å²	120.1	72%	0.717	64%	0.635	S	S	*	*			trans	-53.1	93.2	156	-74.3	179	177.6	177.2	0	103.8	P28 D32	P28-K30 PolarHBondContact O-N 3.09Å; K30-D32 PolarHBondContact O-N 2.99Å
31	L	38.9	Very low	44.2	Very low	97 Å²	97	114.8 Å²	114.8	51%	0.508	61%	0.611	S	S	.	*			trans	-74.3	66.4	175.1	-73.9	158.2	0	0	0	106.3	I29 I33 L49	I29-L31 HydrophobicContact CB-CG 4.34Å; I29-L31 HydrophobicContact CG2-CD2 3.74Å; I29-L31 HydrophobicContact CG2-CG 3.77Å; I29-L31 PolarHBondContact O-N 2.85Å; L31-I33 HydrophobicContact CB-CG1 4.31Å; L31-I33 HydrophobicContact CD2-CD1 3.25Å; L31-I33 HydrophobicContact CD2-CG1 3.52Å; L31-I33 PolarHBondContact O-N 3.46Å; L31-L49 HydrophobicContact CD1-CD2 4.21Å
32	D	41.9	Very low	46.3	Very low	138 Å²	138	109.8 Å²	109.8	74%	0.738	60%	0.596	S	S	*	*			trans	-69.8	55.2	148.1	-63	-35	0	0	0	106.7	K30 D34	K30-D32 PolarHBondContact O-N 2.99Å; D32-D34 VanDerWaalsContact C-N 3.32Å; D32-D34 PolarHBondContact O-N 3.31Å
33	I	44.8	Very low	48.6	Very low	50 Å²	50	114.1 Å²	114.1	26%	0.256	61%	0.607	S	S	.	*			trans	-80.4	97.6	164.6	-62.4	-169.2	0	0	0	104.2	L31 A35 K37 M38 M41	L31-I33 HydrophobicContact CB-CG1 4.31Å; L31-I33 HydrophobicContact CD2-CD1 3.25Å; L31-I33 HydrophobicContact CD2-CG1 3.52Å; L31-I33 PolarHBondContact O-N 3.46Å; I33-A35 PolarHBondContact O-N 3.05Å; I33-K37 HydrophobicContact CG2-CB 3.82Å; I33-M38 HydrophobicContact CG2-CG 3.89Å; I33-M41 HydrophobicContact CD1-CE 4.3Å
34	D	49.1	Very low	50.8	Low	97 Å²	97	117 Å²	117	52%	0.519	61%	0.613	S	S	.	*			trans	-33.8	129.8	163.9	-56.9	-52.7	0	0	0	109.8	D32 A36 K37	D32-D34 VanDerWaalsContact C-N 3.32Å; D32-D34 PolarHBondContact O-N 3.31Å; D34-A36 HydrophobicContact CB-CB 4.43Å; D34-A36 PolarHBondContact O-N 3.45Å; D34-K37 PolarHBondContact O-N 3.28Å
35	A	53.6	Low	53.1	Low	78 Å²	78	119 Å²	119	65%	0.645	61%	0.609	S	S	*	*	H	α-helix	trans	-46.7	-30.8	175.2	0	0	0	0	0	112.1	I33 K37 M38 E39	I33-A35 PolarHBondContact O-N 3.05Å; A35-K37 PolarHBondContact O-N 2.94Å; A35-M38 PolarHBondContact O-N 3.45Å; A35-E39 PolarHBondContact O-N 2.75Å
36	A	52	Low	55.3	Low	63 Å²	63	114.8 Å²	114.8	52%	0.521	59%	0.586	S	S	.	*	H	α-helix	trans	-64.4	-26.1	176.7	0	0	0	0	0	115.7	D34	D34-A36 HydrophobicContact CB-CB 4.43Å; D34-A36 PolarHBondContact O-N 3.45Å
37	K	48.9	Very low	57.5	Low	131 Å²	131	113.7 Å²	113.7	57%	0.57	59%	0.587	S	S	*	*	H	α-helix	trans	-89.1	-24.7	175.2	-75.8	179.6	-172.4	163.8	0	112.5	I33 D34 A35 E39 K40 M41	I33-K37 HydrophobicContact CG2-CB 3.82Å; D34-K37 PolarHBondContact O-N 3.28Å; A35-K37 PolarHBondContact O-N 2.94Å; K37-E39 VanDerWaalsContact C-N 3.35Å; K37-K40 PolarHBondContact O-N 3.25Å; K37-M41 PolarHBondContact O-N 2.86Å
38	M	52.3	Low	60.1	Low	88 Å²	88	113.9 Å²	113.9	43%	0.433	59%	0.586	S	S	.	*	H	α-helix	trans	-65.8	-38.8	170.1	-77.1	-164.6	138.8	0	0	111.5	I33 A35 K40 M41 L46	I33-M38 HydrophobicContact CG2-CG 3.89Å; A35-M38 PolarHBondContact O-N 3.45Å; M38-K40 PolarHBondContact O-N 2.99Å; M38-M41 PolarHBondContact O-N 3.32Å; M38-L46 HydrophobicContact CE-CD2 4.15Å
39	E	58.2	Low	62.4	Low	171 Å²	171	112 Å²	112	80%	0.799	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-26.6	177.3	-73.8	179.8	165.1	0	0	113.5	A35 K37	A35-E39 PolarHBondContact O-N 2.75Å; K37-E39 VanDerWaalsContact C-N 3.35Å
40	K	57.6	Low	64.6	Low	191 Å²	191	111.4 Å²	111.4	83%	0.83	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-0	176.7	-67.2	-176.8	-178.4	175.4	0	113.9	K37 M38 G42	K37-K40 PolarHBondContact O-N 3.25Å; M38-K40 PolarHBondContact O-N 2.99Å; K40-G42 PolarHBondContact O-N 2.98Å
41	M	57.3	Low	67.1	Low	48 Å²	48	106 Å²	106	24%	0.236	55%	0.551	C	S	.	*	S	Bend	trans	-89.7	112.4	-176.3	-145.2	172.9	-66.5	0	0	110.2	I33 K37 M38 K45 L49	I33-M41 HydrophobicContact CD1-CE 4.3Å; K37-M41 PolarHBondContact O-N 2.86Å; M38-M41 PolarHBondContact O-N 3.32Å; M41-K45 HydrophobicContact CG-CB 3.66Å; M41-K45 HydrophobicContact CG-CD 3.8Å; M41-K45 HydrophobicContact CG-CG 4.37Å; M41-K45 HydrophobicContact SD-CB 4.02Å; M41-K45 HydrophobicContact SD-CD 4.26Å; M41-L49 HydrophobicContact SD-CD1 4.45Å
42	G	76	Confident	69.8	Low	49 Å²	49	108.1 Å²	108.1	51%	0.505	56%	0.556	S	S	.	*			trans	-56.2	148.3	-174	0	0	0	0	0	113.6	K40 K44 K45 L46	K40-G42 PolarHBondContact O-N 2.98Å; G42-K44 PolarHBondContact O-N 3.14Å; G42-K45 PolarHBondContact O-N 3.08Å; G42-L46 PolarHBondContact O-N 3.35Å
43	K	79.6	Confident	72.1	Confident	193 Å²	193	104.2 Å²	104.2	84%	0.839	54%	0.543	S	S	*	.	H	α-helix	trans	-39.2	-39.5	-176.7	-64.4	-179.9	177.7	-177.4	0	114.7	A47	K43-A47 WeakPolarHBondContact O-CB 3.43Å; K43-A47 PolarHBondContact O-N 3.41Å; K43-A47 VanDerWaalsContact O-N 3.08Å
44	K	83.1	Confident	74.4	Confident	190 Å²	190	108.2 Å²	108.2	83%	0.826	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-36.5	178.6	-65.4	-174.4	179.2	-177.7	0	114.2	G42 K48	G42-K44 PolarHBondContact O-N 3.14Å; K44-K48 PolarHBondContact O-N 3.49Å; K44-K48 VanDerWaalsContact O-N 3.09Å
45	K	86.3	Confident	76.4	Confident	141 Å²	141	111.8 Å²	111.8	61%	0.613	57%	0.566	S	S	*	*	H	α-helix	trans	-75.8	-40.9	179.7	-77.6	-171.1	178.9	-174.8	0	111.5	M41 G42 K48 L49	M41-K45 HydrophobicContact CG-CB 3.66Å; M41-K45 HydrophobicContact CG-CD 3.8Å; M41-K45 HydrophobicContact CG-CG 4.37Å; M41-K45 HydrophobicContact SD-CB 4.02Å; M41-K45 HydrophobicContact SD-CD 4.26Å; G42-K45 PolarHBondContact O-N 3.08Å; K45-K48 PolarHBondContact O-N 3.14Å; K45-L49 WeakPolarHBondContact O-CB 3.47Å; K45-L49 PolarHBondContact O-N 3.27Å
46	L	84.1	Confident	78.2	Confident	52 Å²	52	114.1 Å²	114.1	27%	0.272	56%	0.558	S	S	.	*	H	α-helix	trans	-60	-46	172	-81.8	169.9	0	0	0	111.3	M38 G42 K48 L49 Q50	M38-L46 HydrophobicContact CE-CD2 4.15Å; G42-L46 PolarHBondContact O-N 3.35Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 2.91Å; L46-L49 PolarHBondContact O-N 3.36Å; L46-Q50 WeakPolarHBondContact O-CB 3.34Å; L46-Q50 WeakPolarHBondContact O-CG 3.34Å; L46-Q50 PolarHBondContact O-N 3.38Å
47	A	87.1	Confident	80.2	Confident	52 Å²	52	113.6 Å²	113.6	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-60.1	-38.7	174.9	0	0	0	0	0	112.8	K43 A51	K43-A47 WeakPolarHBondContact O-CB 3.43Å; K43-A47 PolarHBondContact O-N 3.41Å; K43-A47 VanDerWaalsContact O-N 3.08Å; A47-A51 VanDerWaalsContact O-CB 3.24Å; A47-A51 WeakPolarHBondContact O-CB 3.32Å; A47-A51 PolarHBondContact O-N 3.2Å
48	K	92.1	Very high	82.2	Confident	167 Å²	167	113.8 Å²	113.8	73%	0.726	56%	0.559	S	S	*	*	H	α-helix	trans	-69.1	-36.4	176.1	-170.1	174.9	-177.9	179.7	0	112.7	K44 K45 L46 K52	K44-K48 PolarHBondContact O-N 3.49Å; K44-K48 VanDerWaalsContact O-N 3.09Å; K45-K48 PolarHBondContact O-N 3.14Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 2.91Å; K48-K52 WeakPolarHBondContact O-CB 3.23Å; K48-K52 PolarHBondContact O-N 3.05Å
49	L	89.2	Confident	84.1	Confident	61 Å²	61	114.7 Å²	114.7	32%	0.319	56%	0.558	S	S	.	*	H	α-helix	trans	-69.8	-43.5	177.5	-129.1	159.2	0	0	0	110.8	L31 M41 K45 L46 K52 A53	L31-L49 HydrophobicContact CD1-CD2 4.21Å; M41-L49 HydrophobicContact SD-CD1 4.45Å; K45-L49 WeakPolarHBondContact O-CB 3.47Å; K45-L49 PolarHBondContact O-N 3.27Å; L46-L49 PolarHBondContact O-N 3.36Å; L49-K52 PolarHBondContact O-N 3.41Å; L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 3.03Å
50	Q	87.8	Confident	85.8	Confident	118 Å²	118	112.8 Å²	112.8	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-61	-48	171.9	-73	174.9	-31.8	0	0	111.3	L46 K52 A53 E54	L46-Q50 WeakPolarHBondContact O-CB 3.34Å; L46-Q50 WeakPolarHBondContact O-CG 3.34Å; L46-Q50 PolarHBondContact O-N 3.38Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 2.9Å; Q50-A53 PolarHBondContact O-N 3.35Å; Q50-A53 VanDerWaalsContact O-N 3.14Å; Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.45Å; Q50-E54 PolarHBondContact O-N 3.02Å
51	A	90.2	Very high	87.4	Confident	52 Å²	52	110.4 Å²	110.4	43%	0.43	54%	0.541	S	S	.	.	H	α-helix	trans	-62.8	-33.9	176.6	0	0	0	0	0	113.5	A47 R55	A47-A51 VanDerWaalsContact O-CB 3.24Å; A47-A51 WeakPolarHBondContact O-CB 3.32Å; A47-A51 PolarHBondContact O-N 3.2Å; A51-R55 VanDerWaalsContact O-CB 3.24Å; A51-R55 WeakPolarHBondContact O-CB 3.18Å; A51-R55 PolarHBondContact O-N 3.2Å
52	K	94.2	Very high	89.2	Confident	141 Å²	141	112.8 Å²	112.8	61%	0.613	55%	0.551	S	S	*	*	H	α-helix	trans	-70.8	-39.7	173.8	-169.9	179.3	-179.7	-173.5	0	111.2	K48 L49 Q50 R56	K48-K52 WeakPolarHBondContact O-CB 3.23Å; K48-K52 PolarHBondContact O-N 3.05Å; L49-K52 PolarHBondContact O-N 3.41Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 2.9Å; K52-R56 WeakPolarHBondContact O-CB 3.26Å; K52-R56 PolarHBondContact O-N 3.4Å
53	A	91.5	Very high	90	Very high	56 Å²	56	115.8 Å²	115.8	46%	0.463	55%	0.552	S	S	.	*	H	α-helix	trans	-66.3	-45.8	176.3	0	0	0	0	0	111.6	L49 Q50 R55 R56 A57	L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 3.03Å; Q50-A53 PolarHBondContact O-N 3.35Å; Q50-A53 VanDerWaalsContact O-N 3.14Å; A53-R55 PolarHBondContact O-N 3.41Å; A53-R56 PolarHBondContact O-N 2.99Å; A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.24Å
54	E	91.7	Very high	90.7	Very high	133 Å²	133	108.7 Å²	108.7	62%	0.621	53%	0.529	S	S	*	.	H	α-helix	trans	-61.6	-42.2	174.5	-72.9	171.3	-171.9	0	0	111.5	Q50 R56 A57 M58	Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.45Å; Q50-E54 PolarHBondContact O-N 3.02Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 2.98Å; E54-A57 PolarHBondContact O-N 3.33Å; E54-M58 VanDerWaalsContact O-CB 3.25Å; E54-M58 WeakPolarHBondContact O-CB 3.29Å; E54-M58 PolarHBondContact O-N 2.9Å
55	R	91.9	Very high	91.2	Very high	172 Å²	172	105.6 Å²	105.6	65%	0.649	52%	0.518	S	S	*	.	H	α-helix	trans	-68.8	-26.8	175.7	-171.8	172.1	-176.4	-117.9	-0.4	113.5	A51 A53 R59	A51-R55 VanDerWaalsContact O-CB 3.24Å; A51-R55 WeakPolarHBondContact O-CB 3.18Å; A51-R55 PolarHBondContact O-N 3.2Å; A53-R55 PolarHBondContact O-N 3.41Å; R55-R59 WeakPolarHBondContact O-CG 3.33Å; R55-R59 PolarHBondContact O-N 3.43Å; R55-R59 PolarHBondContact O-NE 3.33Å
56	R	92.1	Very high	91.5	Very high	127 Å²	127	104.7 Å²	104.7	48%	0.479	51%	0.51	S	S	.	.	H	α-helix	trans	-76.4	-47.2	172.8	-176.2	175.2	178.5	147.3	0.1	110.3	D26 K52 A53 E54 M58 R59 E60	D26-R56 IonicContact OD1-CZ 3.91Å; D26-R56 IonicContact OD1-NH1 3.34Å; D26-R56 PolarHBondContact OD1-NH1 2.92Å; D26-R56 IonicContact OD2-NH1 3.63Å; K52-R56 WeakPolarHBondContact O-CB 3.26Å; K52-R56 PolarHBondContact O-N 3.4Å; A53-R56 PolarHBondContact O-N 2.99Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 2.98Å; R56-M58 VanDerWaalsContact C-N 3.33Å; R56-M58 PolarHBondContact O-N 3.22Å; R56-R59 PolarHBondContact O-N 3.47Å; R56-R59 VanDerWaalsContact O-N 3.17Å; R56-E60 WeakPolarHBondContact O-CB 3.45Å; R56-E60 PolarHBondContact O-N 3.3Å
57	A	92.1	Very high	92	Very high	53 Å²	53	108.5 Å²	108.5	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-58.3	-44.3	175.7	0	0	0	0	0	111.7	A53 E54 R59 E60 E61	A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.24Å; E54-A57 PolarHBondContact O-N 3.33Å; A57-R59 VanDerWaalsContact C-N 3.33Å; A57-R59 PolarHBondContact O-N 3.49Å; A57-E60 PolarHBondContact O-N 3.19Å; A57-E61 VanDerWaalsContact O-CB 3.27Å; A57-E61 WeakPolarHBondContact O-CB 3.45Å; A57-E61 PolarHBondContact O-N 3.25Å
58	M	92.2	Very high	92.4	Very high	134 Å²	134	112.7 Å²	112.7	66%	0.66	54%	0.537	S	S	*	.	H	α-helix	trans	-62.1	-37.9	176.8	-169.9	-169	-162.6	0	0	112.6	E54 R56 E62	E54-M58 VanDerWaalsContact O-CB 3.25Å; E54-M58 WeakPolarHBondContact O-CB 3.29Å; E54-M58 PolarHBondContact O-N 2.9Å; R56-M58 VanDerWaalsContact C-N 3.33Å; R56-M58 PolarHBondContact O-N 3.22Å; M58-E62 WeakPolarHBondContact O-CB 3.44Å; M58-E62 PolarHBondContact O-N 2.94Å
59	R	91.8	Very high	92.5	Very high	108 Å²	108	112.8 Å²	112.8	41%	0.408	53%	0.533	S	S	.	.	H	α-helix	trans	-71.8	-42	177.1	-79.4	-172.4	-69.3	158.2	2.9	112.2	R55 R56 A57 E61 E62 E63	R55-R59 WeakPolarHBondContact O-CG 3.33Å; R55-R59 PolarHBondContact O-N 3.43Å; R55-R59 PolarHBondContact O-NE 3.33Å; R56-R59 PolarHBondContact O-N 3.47Å; R56-R59 VanDerWaalsContact O-N 3.17Å; A57-R59 VanDerWaalsContact C-N 3.33Å; A57-R59 PolarHBondContact O-N 3.49Å; R59-E61 VanDerWaalsContact C-N 3.35Å; R59-E62 PolarHBondContact O-N 2.98Å; R59-E63 WeakPolarHBondContact O-CB 3.34Å; R59-E63 WeakPolarHBondContact O-CG 3.38Å; R59-E63 PolarHBondContact O-N 2.82Å
60	E	93.4	Very high	92.8	Very high	130 Å²	130	116 Å²	116	61%	0.607	55%	0.545	S	S	*	.	H	α-helix	trans	-65	-40.3	177.2	-174.8	175	178.2	0	0	111.3	R56 A57 A64	R56-E60 WeakPolarHBondContact O-CB 3.45Å; R56-E60 PolarHBondContact O-N 3.3Å; A57-E60 PolarHBondContact O-N 3.19Å; E60-A64 VanDerWaalsContact O-CB 3.24Å; E60-A64 WeakPolarHBondContact O-CB 3.42Å; E60-A64 PolarHBondContact O-N 2.84Å
61	E	92.7	Very high	93.2	Very high	142 Å²	142	116.7 Å²	116.7	66%	0.664	55%	0.55	S	S	*	.	H	α-helix	trans	-64.4	-44.5	173.9	-172.2	174.1	-162.9	0	0	111.6	A57 R59 A64 E65	A57-E61 VanDerWaalsContact O-CB 3.27Å; A57-E61 WeakPolarHBondContact O-CB 3.45Å; A57-E61 PolarHBondContact O-N 3.25Å; R59-E61 VanDerWaalsContact C-N 3.35Å; E61-A64 PolarHBondContact O-N 2.82Å; E61-E65 WeakPolarHBondContact O-CB 2.88Å; E61-E65 PolarHBondContact O-N 3.23Å
62	E	93.8	Very high	93.4	Very high	98 Å²	98	120 Å²	120	46%	0.458	56%	0.555	S	S	.	*	H	α-helix	trans	-65.5	-40.5	177.1	-170.3	-169.5	163.4	0	0	112.5	M58 R59 R66	M58-E62 WeakPolarHBondContact O-CB 3.44Å; M58-E62 PolarHBondContact O-N 2.94Å; R59-E62 PolarHBondContact O-N 2.98Å; E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 3.19Å; E62-R66 PolarHBondContact O-N 3.02Å; E62-R66 IonicContact OE1-CZ 3.64Å; E62-R66 IonicContact OE1-NH2 2.82Å; E62-R66 PolarHBondContact OE1-NH2 2.84Å
63	E	92.5	Very high	93.4	Very high	112 Å²	112	116.8 Å²	116.8	52%	0.523	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-44.1	176.7	-76.3	175.7	-173.7	0	0	111.3	R59 R66 E67	R59-E63 WeakPolarHBondContact O-CB 3.34Å; R59-E63 WeakPolarHBondContact O-CG 3.38Å; R59-E63 PolarHBondContact O-N 2.82Å; E63-R66 PolarHBondContact O-N 2.72Å; E63-E67 WeakPolarHBondContact O-CG 3.44Å; E63-E67 PolarHBondContact O-N 2.78Å
64	A	94.1	Very high	93.6	Very high	43 Å²	43	118.2 Å²	118.2	36%	0.355	55%	0.547	S	S	.	.	H	α-helix	trans	-63.4	-41.8	175.4	0	0	0	0	0	112.2	E60 E61 R66 E67 Q68	E60-A64 VanDerWaalsContact O-CB 3.24Å; E60-A64 WeakPolarHBondContact O-CB 3.42Å; E60-A64 PolarHBondContact O-N 2.84Å; E61-A64 PolarHBondContact O-N 2.82Å; A64-R66 VanDerWaalsContact C-N 3.33Å; A64-R66 PolarHBondContact O-N 3.28Å; A64-E67 PolarHBondContact O-N 2.89Å; A64-Q68 WeakPolarHBondContact O-CB 3.19Å; A64-Q68 VanDerWaalsContact O-CG 3.28Å; A64-Q68 WeakPolarHBondContact O-CG 3.39Å; A64-Q68 PolarHBondContact O-N 3.03Å
65	E	93.7	Very high	93.8	Very high	126 Å²	126	117.8 Å²	117.8	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-62.3	-41.9	174.8	-172.6	-175.4	175.1	0	0	110.9	E61 Q68 R69	E61-E65 WeakPolarHBondContact O-CB 2.88Å; E61-E65 PolarHBondContact O-N 3.23Å; E65-Q68 PolarHBondContact O-N 3.19Å; E65-R69 WeakPolarHBondContact O-CB 3.43Å; E65-R69 PolarHBondContact O-N 2.89Å
66	R	93.5	Very high	94	Very high	121 Å²	121	117.2 Å²	117.2	46%	0.457	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-39.8	178.2	-170.4	-176.4	-63	150.6	0.2	112.1	E62 E63 A64 K70	E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 3.19Å; E62-R66 PolarHBondContact O-N 3.02Å; E62-R66 IonicContact OE1-CZ 3.64Å; E62-R66 IonicContact OE1-NH2 2.82Å; E62-R66 PolarHBondContact OE1-NH2 2.84Å; E63-R66 PolarHBondContact O-N 2.72Å; A64-R66 VanDerWaalsContact C-N 3.33Å; A64-R66 PolarHBondContact O-N 3.28Å; R66-K70 WeakPolarHBondContact O-CB 3.36Å; R66-K70 VanDerWaalsContact O-CG 3.25Å; R66-K70 WeakPolarHBondContact O-CG 3.03Å; R66-K70 PolarHBondContact O-N 3.23Å
67	E	95.2	Very high	94.2	Very high	132 Å²	132	113.5 Å²	113.5	62%	0.617	54%	0.539	S	S	*	.	H	α-helix	trans	-69.1	-45.5	176	-73.6	-174.5	172.2	0	0	112	E63 A64 R69 K70 M71	E63-E67 WeakPolarHBondContact O-CG 3.44Å; E63-E67 PolarHBondContact O-N 2.78Å; A64-E67 PolarHBondContact O-N 2.89Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 2.93Å; E67-K70 PolarHBondContact O-N 2.77Å; E67-M71 WeakPolarHBondContact O-CB 3.33Å; E67-M71 WeakPolarHBondContact O-CG 3.32Å; E67-M71 PolarHBondContact O-N 2.77Å
68	Q	95	Very high	94.4	Very high	141 Å²	141	117.2 Å²	117.2	66%	0.659	55%	0.548	S	S	*	.	H	α-helix	trans	-60.2	-42.6	175.6	-73.6	179.9	13.5	0	0	111.6	A64 E65 M71 F72	A64-Q68 WeakPolarHBondContact O-CB 3.19Å; A64-Q68 VanDerWaalsContact O-CG 3.28Å; A64-Q68 WeakPolarHBondContact O-CG 3.39Å; A64-Q68 PolarHBondContact O-N 3.03Å; E65-Q68 PolarHBondContact O-N 3.19Å; Q68-M71 PolarHBondContact O-N 3.1Å; Q68-F72 WeakPolarHBondContact O-CB 3.4Å; Q68-F72 PolarHBondContact O-N 2.81Å
69	R	94.6	Very high	94.6	Very high	168 Å²	168	116.3 Å²	116.3	63%	0.634	54%	0.54	S	S	*	.	H	α-helix	trans	-64	-43.7	176.6	-173	165.7	-178	-109.6	-8.3	111.9	E65 E67 F72 D73	E65-R69 WeakPolarHBondContact O-CB 3.43Å; E65-R69 PolarHBondContact O-N 2.89Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 2.93Å; R69-F72 PolarHBondContact O-N 2.92Å; R69-D73 VanDerWaalsContact O-CB 3.31Å; R69-D73 WeakPolarHBondContact O-CB 3.31Å; R69-D73 PolarHBondContact O-N 3.49Å
70	K	95	Very high	94.8	Very high	129 Å²	129	117.1 Å²	117.1	56%	0.561	55%	0.549	S	S	*	.	H	α-helix	trans	-61.3	-46.7	174.7	-76.9	172.5	-179.1	179	0	111.9	R66 E67 F72 D73 T74	R66-K70 WeakPolarHBondContact O-CB 3.36Å; R66-K70 VanDerWaalsContact O-CG 3.25Å; R66-K70 WeakPolarHBondContact O-CG 3.03Å; R66-K70 PolarHBondContact O-N 3.23Å; E67-K70 PolarHBondContact O-N 2.77Å; K70-F72 PolarHBondContact O-N 3.09Å; K70-D73 PolarHBondContact O-N 3.24Å; K70-T74 VanDerWaalsContact O-CG2 3.32Å; K70-T74 WeakPolarHBondContact O-CG2 2.99Å; K70-T74 PolarHBondContact O-N 2.8Å; K70-T74 PolarHBondContact O-OG1 2.94Å; K70-T74 VanDerWaalsContact O-OG1 3.08Å
71	M	95.1	Very high	95	Very high	133 Å²	133	118.6 Å²	118.6	66%	0.655	55%	0.548	S	S	*	.	H	α-helix	trans	-59.6	-48.1	178.7	-73.1	-64.7	-68.9	0	0	110.9	E67 Q68 D73 T74 E75	E67-M71 WeakPolarHBondContact O-CB 3.33Å; E67-M71 WeakPolarHBondContact O-CG 3.32Å; E67-M71 PolarHBondContact O-N 2.77Å; Q68-M71 PolarHBondContact O-N 3.1Å; M71-D73 PolarHBondContact O-N 2.97Å; M71-T74 WeakPolarHBondContact CA-OG1 3.39Å; M71-T74 PolarHBondContact O-N 2.92Å; M71-T74 PolarHBondContact O-OG1 2.93Å; M71-E75 WeakPolarHBondContact O-CB 3.28Å; M71-E75 PolarHBondContact O-N 2.98Å
72	F	94.8	Very high	95.2	Very high	122 Å²	122	117 Å²	117	54%	0.535	54%	0.544	S	S	.	.	H	α-helix	trans	-62.2	-43.6	177.3	-175.7	-100.1	0	0	0	112.8	Q68 R69 K70 T74 E75 R76	Q68-F72 WeakPolarHBondContact O-CB 3.4Å; Q68-F72 PolarHBondContact O-N 2.81Å; R69-F72 PolarHBondContact O-N 2.92Å; K70-F72 PolarHBondContact O-N 3.09Å; F72-T74 VanDerWaalsContact C-N 3.35Å; F72-T74 PolarHBondContact O-N 3.1Å; F72-E75 PolarHBondContact O-N 3.45Å; F72-R76 VanDerWaalsContact O-CB 3.27Å; F72-R76 WeakPolarHBondContact O-CB 3.37Å; F72-R76 PolarHBondContact O-N 3.25Å
73	D	94.4	Very high	95.3	Very high	72 Å²	72	119.3 Å²	119.3	39%	0.385	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-40.2	177.5	-73.2	-22.8	0	0	0	111.1	R69 K70 M71 A77	R69-D73 VanDerWaalsContact O-CB 3.31Å; R69-D73 WeakPolarHBondContact O-CB 3.31Å; R69-D73 PolarHBondContact O-N 3.49Å; K70-D73 PolarHBondContact O-N 3.24Å; M71-D73 PolarHBondContact O-N 2.97Å; D73-A77 WeakPolarHBondContact O-CB 3.31Å; D73-A77 PolarHBondContact O-N 2.89Å
74	T	95.6	Very high	95.5	Very high	86 Å²	86	120.1 Å²	120.1	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-67.8	-43.5	176.7	54.4	0	0	0	0	113	K70 M71 F72 R76 A77 E78	K70-T74 VanDerWaalsContact O-CG2 3.32Å; K70-T74 WeakPolarHBondContact O-CG2 2.99Å; K70-T74 PolarHBondContact O-N 2.8Å; K70-T74 PolarHBondContact O-OG1 2.94Å; K70-T74 VanDerWaalsContact O-OG1 3.08Å; M71-T74 WeakPolarHBondContact CA-OG1 3.39Å; M71-T74 PolarHBondContact O-N 2.92Å; M71-T74 PolarHBondContact O-OG1 2.93Å; F72-T74 VanDerWaalsContact C-N 3.35Å; F72-T74 PolarHBondContact O-N 3.1Å; T74-R76 VanDerWaalsContact C-N 3.34Å; T74-A77 PolarHBondContact O-N 3.28Å; T74-E78 WeakPolarHBondContact O-CB 3.28Å; T74-E78 PolarHBondContact O-N 3.02Å
75	E	96.5	Very high	95.6	Very high	124 Å²	124	122.5 Å²	122.5	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-63.8	-41.9	176.9	-175.9	-174.1	178.6	0	0	110.8	M71 F72 E78 K79	M71-E75 WeakPolarHBondContact O-CB 3.28Å; M71-E75 PolarHBondContact O-N 2.98Å; F72-E75 PolarHBondContact O-N 3.45Å; E75-E78 PolarHBondContact O-N 2.95Å; E75-K79 VanDerWaalsContact O-CB 3.29Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.15Å
76	R	95.4	Very high	95.7	Very high	160 Å²	160	119.1 Å²	119.1	60%	0.604	55%	0.55	S	S	*	.	H	α-helix	trans	-62.6	-46.2	176.4	-176.3	177.8	178.8	174.3	1.3	111.7	F72 T74 K79 E80	F72-R76 VanDerWaalsContact O-CB 3.27Å; F72-R76 WeakPolarHBondContact O-CB 3.37Å; F72-R76 PolarHBondContact O-N 3.25Å; T74-R76 VanDerWaalsContact C-N 3.34Å; R76-K79 PolarHBondContact O-N 3.24Å; R76-E80 WeakPolarHBondContact O-CB 3.29Å; R76-E80 PolarHBondContact O-N 3.48Å
77	A	96.4	Very high	95.9	Very high	50 Å²	50	119.6 Å²	119.6	41%	0.413	56%	0.557	S	S	.	*	H	α-helix	trans	-65.2	-39.9	178.8	0	0	0	0	0	112.1	D73 T74 E80 R81	D73-A77 WeakPolarHBondContact O-CB 3.31Å; D73-A77 PolarHBondContact O-N 2.89Å; T74-A77 PolarHBondContact O-N 3.28Å; A77-E80 PolarHBondContact O-N 3.34Å; A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 3.46Å
78	E	96.5	Very high	95.9	Very high	131 Å²	131	118 Å²	118	61%	0.612	55%	0.55	S	S	*	.	H	α-helix	trans	-63.6	-46.6	175.6	-166.5	-143.2	168.5	0	0	111.4	T74 E75 E80 R81 L82	T74-E78 WeakPolarHBondContact O-CB 3.28Å; T74-E78 PolarHBondContact O-N 3.02Å; E75-E78 PolarHBondContact O-N 2.95Å; E78-E80 VanDerWaalsContact C-N 3.32Å; E78-E80 PolarHBondContact O-N 3.06Å; E78-R81 PolarHBondContact O-N 2.88Å; E78-L82 PolarHBondContact O-N 2.92Å
79	K	96.9	Very high	95.9	Very high	114 Å²	114	117 Å²	117	50%	0.496	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-37.4	178.1	-175.6	177.1	-177.2	173.9	0	112.9	E75 R76 R83	E75-K79 VanDerWaalsContact O-CB 3.29Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.15Å; R76-K79 PolarHBondContact O-N 3.24Å; K79-R83 VanDerWaalsContact CE-NH2 3.3Å; K79-R83 WeakPolarHBondContact O-CB 3.48Å; K79-R83 VanDerWaalsContact O-CG 3.26Å; K79-R83 WeakPolarHBondContact O-CG 3.47Å; K79-R83 PolarHBondContact O-N 2.89Å; K79-R83 VanDerWaalsContact O-N 3.1Å
80	E	96.1	Very high	96	Very high	126 Å²	126	112.6 Å²	112.6	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-66.9	-46	175.5	-173.2	167.7	-168	0	0	111.2	R76 A77 E78 L82 R83 E84	R76-E80 WeakPolarHBondContact O-CB 3.29Å; R76-E80 PolarHBondContact O-N 3.48Å; A77-E80 PolarHBondContact O-N 3.34Å; E78-E80 VanDerWaalsContact C-N 3.32Å; E78-E80 PolarHBondContact O-N 3.06Å; E80-L82 VanDerWaalsContact C-N 3.34Å; E80-L82 PolarHBondContact O-N 3.46Å; E80-R83 PolarHBondContact O-N 3.31Å; E80-E84 WeakPolarHBondContact O-CB 3.36Å; E80-E84 PolarHBondContact O-N 2.99Å
81	R	96.5	Very high	96	Very high	160 Å²	160	112.1 Å²	112.1	60%	0.604	53%	0.532	S	S	*	.	H	α-helix	trans	-60.6	-41.3	175.3	-72.5	-177.5	69.9	-158.1	-1.5	112.8	A77 E78 R83 E84 Q85	A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 3.46Å; E78-R81 PolarHBondContact O-N 2.88Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R81-E84 PolarHBondContact O-N 3.48Å; R81-Q85 WeakPolarHBondContact O-CB 3.25Å; R81-Q85 VanDerWaalsContact O-CG 3.28Å; R81-Q85 WeakPolarHBondContact O-CG 3.33Å; R81-Q85 PolarHBondContact O-N 3.48Å
82	L	97.4	Very high	96	Very high	109 Å²	109	111 Å²	111	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-37.3	178.3	-174.1	64.7	0	0	0	111.7	E78 E80 A86	E78-L82 PolarHBondContact O-N 2.92Å; E80-L82 VanDerWaalsContact C-N 3.34Å; E80-L82 PolarHBondContact O-N 3.46Å; L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 2.82Å; L82-A86 VanDerWaalsContact O-N 3.07Å
83	R	96.2	Very high	96.1	Very high	147 Å²	147	112 Å²	112	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-47.2	174.7	-76.1	171.5	174.7	-164	-7.3	111.8	K79 E80 R81 Q85 A86 E87	K79-R83 VanDerWaalsContact CE-NH2 3.3Å; K79-R83 WeakPolarHBondContact O-CB 3.48Å; K79-R83 VanDerWaalsContact O-CG 3.26Å; K79-R83 WeakPolarHBondContact O-CG 3.47Å; K79-R83 PolarHBondContact O-N 2.89Å; K79-R83 VanDerWaalsContact O-N 3.1Å; E80-R83 PolarHBondContact O-N 3.31Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R83-Q85 VanDerWaalsContact C-N 3.33Å; R83-Q85 PolarHBondContact O-N 3.06Å; R83-A86 PolarHBondContact O-N 2.74Å; R83-E87 WeakPolarHBondContact O-CB 3.26Å; R83-E87 WeakPolarHBondContact O-CG 3.27Å; R83-E87 PolarHBondContact O-N 3.35Å
84	E	95.9	Very high	96.1	Very high	129 Å²	129	115.8 Å²	115.8	60%	0.603	53%	0.529	S	S	*	.	H	α-helix	trans	-59.4	-43.9	177.6	-173.8	-179.8	-167.4	0	0	111.4	E80 R81 A86 E87 E88	E80-E84 WeakPolarHBondContact O-CB 3.36Å; E80-E84 PolarHBondContact O-N 2.99Å; R81-E84 PolarHBondContact O-N 3.48Å; E84-A86 PolarHBondContact O-N 2.9Å; E84-E87 PolarHBondContact O-N 2.92Å; E84-E88 WeakPolarHBondContact O-CB 3.46Å; E84-E88 PolarHBondContact O-N 3.45Å
85	Q	96.6	Very high	96.1	Very high	92 Å²	92	115.7 Å²	115.7	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-42	175.7	-74.3	177.6	-2.8	0	0	112.7	R81 R83 E88 E89	R81-Q85 WeakPolarHBondContact O-CB 3.25Å; R81-Q85 VanDerWaalsContact O-CG 3.28Å; R81-Q85 WeakPolarHBondContact O-CG 3.33Å; R81-Q85 PolarHBondContact O-N 3.48Å; R83-Q85 VanDerWaalsContact C-N 3.33Å; R83-Q85 PolarHBondContact O-N 3.06Å; Q85-E88 PolarHBondContact O-N 3.5Å; Q85-E89 WeakPolarHBondContact O-CB 3.4Å; Q85-E89 VanDerWaalsContact O-CG 3.31Å; Q85-E89 WeakPolarHBondContact O-CG 3.47Å; Q85-E89 PolarHBondContact O-N 3.39Å
86	A	97.2	Very high	96	Very high	56 Å²	56	114.7 Å²	114.7	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-39.4	177.6	0	0	0	0	0	112.3	L82 R83 E84 E90	L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 2.82Å; L82-A86 VanDerWaalsContact O-N 3.07Å; R83-A86 PolarHBondContact O-N 2.74Å; E84-A86 PolarHBondContact O-N 2.9Å; A86-E90 WeakPolarHBondContact O-CB 3.47Å; A86-E90 PolarHBondContact O-N 3.43Å
87	E	95.7	Very high	96	Very high	131 Å²	131	111.9 Å²	111.9	61%	0.612	51%	0.514	S	S	*	.	H	α-helix	trans	-66.1	-44.5	175.4	-73.3	173.7	-163.8	0	0	111.2	R83 E84 E90 E91	R83-E87 WeakPolarHBondContact O-CB 3.26Å; R83-E87 WeakPolarHBondContact O-CG 3.27Å; R83-E87 PolarHBondContact O-N 3.35Å; E84-E87 PolarHBondContact O-N 2.92Å; E87-E90 PolarHBondContact O-N 3.01Å; E87-E91 WeakPolarHBondContact O-CB 3.42Å; E87-E91 PolarHBondContact O-N 3.23Å
88	E	95.8	Very high	95.9	Very high	98 Å²	98	115.2 Å²	115.2	46%	0.458	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-40.4	177.6	-161.5	-163.8	177.3	0	0	111.8	E84 Q85 R92	E84-E88 WeakPolarHBondContact O-CB 3.46Å; E84-E88 PolarHBondContact O-N 3.45Å; Q85-E88 PolarHBondContact O-N 3.5Å; E88-R92 VanDerWaalsContact CG-NH1 3.35Å; E88-R92 WeakPolarHBondContact O-CB 3.16Å; E88-R92 VanDerWaalsContact O-CG 3.28Å; E88-R92 WeakPolarHBondContact O-CG 3.35Å; E88-R92 PolarHBondContact O-N 3.04Å; E88-R92 IonicContact OE1-NH1 3.36Å; E88-R92 PolarHBondContact OE1-NH1 2.89Å; E88-R92 IonicContact OE2-CZ 2.82Å; E88-R92 IonicContact OE2-NH1 3.94Å; E88-R92 PolarHBondContact OE2-NH1 2.92Å
89	E	95.7	Very high	95.9	Very high	121 Å²	121	114.6 Å²	114.6	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-40.2	173.8	-78.4	179.6	-174.2	0	0	112.4	Q85 R93	Q85-E89 WeakPolarHBondContact O-CB 3.4Å; Q85-E89 VanDerWaalsContact O-CG 3.31Å; Q85-E89 WeakPolarHBondContact O-CG 3.47Å; Q85-E89 PolarHBondContact O-N 3.39Å; E89-R93 WeakPolarHBondContact O-CB 3.48Å; E89-R93 PolarHBondContact O-N 3.32Å
90	E	96.1	Very high	95.8	Very high	75 Å²	75	115.2 Å²	115.2	35%	0.35	52%	0.521	S	S	.	.	H	α-helix	trans	-67.6	-43.3	176.8	-176.9	171	-160.3	0	0	112	A86 E87 R93 R94	A86-E90 WeakPolarHBondContact O-CB 3.47Å; A86-E90 PolarHBondContact O-N 3.43Å; E87-E90 PolarHBondContact O-N 3.01Å; E90-R93 PolarHBondContact O-N 2.88Å; E90-R94 VanDerWaalsContact O-CG 3.32Å; E90-R94 WeakPolarHBondContact O-CG 3.39Å; E90-R94 PolarHBondContact O-N 2.96Å; E90-R94 IonicContact OE1-CZ 3.63Å; E90-R94 IonicContact OE1-NE 3.62Å; E90-R94 PolarHBondContact OE1-NE 3.29Å; E90-R94 IonicContact OE1-NH2 2.88Å; E90-R94 PolarHBondContact OE1-NH2 2.91Å; E90-R94 IonicContact OE2-NH2 3.54Å
91	E	95.1	Very high	95.7	Very high	119 Å²	119	118.3 Å²	118.3	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-61.7	-48.4	176	-172.8	173.7	-160.5	0	0	110.9	E87 R93 R94 E95	E87-E91 WeakPolarHBondContact O-CB 3.42Å; E87-E91 PolarHBondContact O-N 3.23Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 3.3Å; E91-R94 PolarHBondContact O-N 3.4Å; E91-R94 VanDerWaalsContact O-N 3.16Å; E91-E95 PolarHBondContact O-N 2.91Å
92	R	95.5	Very high	95.6	Very high	110 Å²	110	114 Å²	114	42%	0.415	52%	0.516	S	S	.	.	H	α-helix	trans	-58.4	-40.2	175.2	-73.9	-168	-57.4	-109.9	-2.3	112.3	E88 L96	E88-R92 VanDerWaalsContact CG-NH1 3.35Å; E88-R92 WeakPolarHBondContact O-CB 3.16Å; E88-R92 VanDerWaalsContact O-CG 3.28Å; E88-R92 WeakPolarHBondContact O-CG 3.35Å; E88-R92 PolarHBondContact O-N 3.04Å; E88-R92 IonicContact OE1-NH1 3.36Å; E88-R92 PolarHBondContact OE1-NH1 2.89Å; E88-R92 IonicContact OE2-CZ 2.82Å; E88-R92 IonicContact OE2-NH1 3.94Å; E88-R92 PolarHBondContact OE2-NH1 2.92Å; R92-L96 WeakPolarHBondContact O-CB 3.39Å; R92-L96 VanDerWaalsContact O-CG 3.26Å; R92-L96 WeakPolarHBondContact O-CG 3.49Å; R92-L96 PolarHBondContact O-N 3.31Å
93	R	95.9	Very high	95.5	Very high	143 Å²	143	115.4 Å²	115.4	54%	0.54	52%	0.52	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176.6	-176.2	176.9	63.8	-159.9	-3.4	111.5	E89 E90 E91 L96 E97	E89-R93 WeakPolarHBondContact O-CB 3.48Å; E89-R93 PolarHBondContact O-N 3.32Å; E90-R93 PolarHBondContact O-N 2.88Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 3.3Å; R93-L96 PolarHBondContact O-N 3.01Å; R93-E97 PolarHBondContact O-N 3.29Å
94	R	94.8	Very high	95.5	Very high	150 Å²	150	110.6 Å²	110.6	57%	0.566	51%	0.511	S	S	*	.	H	α-helix	trans	-61.8	-44.7	178	-71.6	173.1	-176	-178.1	3.9	111.5	E90 E91 L96 E97 E98	E90-R94 VanDerWaalsContact O-CG 3.32Å; E90-R94 WeakPolarHBondContact O-CG 3.39Å; E90-R94 PolarHBondContact O-N 2.96Å; E90-R94 IonicContact OE1-CZ 3.63Å; E90-R94 IonicContact OE1-NE 3.62Å; E90-R94 PolarHBondContact OE1-NE 3.29Å; E90-R94 IonicContact OE1-NH2 2.88Å; E90-R94 PolarHBondContact OE1-NH2 2.91Å; E90-R94 IonicContact OE2-NH2 3.54Å; E91-R94 PolarHBondContact O-N 3.4Å; E91-R94 VanDerWaalsContact O-N 3.16Å; R94-L96 PolarHBondContact O-N 3.47Å; R94-E97 PolarHBondContact O-N 3.36Å; R94-E98 WeakPolarHBondContact O-CB 3.44Å; R94-E98 PolarHBondContact O-N 3.26Å
95	E	95.3	Very high	95.4	Very high	85 Å²	85	109.9 Å²	109.9	40%	0.397	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.7	-76.1	-166.9	-167.8	0	0	113	E91 E98 K99	E91-E95 PolarHBondContact O-N 2.91Å; E95-E98 PolarHBondContact O-N 2.96Å; E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 WeakPolarHBondContact O-CD 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.41Å; E95-K99 PolarHBondContact O-N 3.41Å; E95-K99 IonicContact OE2-NZ 2.89Å; E95-K99 PolarHBondContact OE2-NZ 2.9Å
96	L	95.7	Very high	95.4	Very high	102 Å²	102	111.9 Å²	111.9	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-42.4	177.9	-73.4	172.7	0	0	0	111.3	R92 R93 R94 Q100	R92-L96 WeakPolarHBondContact O-CB 3.39Å; R92-L96 VanDerWaalsContact O-CG 3.26Å; R92-L96 WeakPolarHBondContact O-CG 3.49Å; R92-L96 PolarHBondContact O-N 3.31Å; R93-L96 PolarHBondContact O-N 3.01Å; R94-L96 PolarHBondContact O-N 3.47Å; L96-Q100 WeakPolarHBondContact O-CB 3.39Å; L96-Q100 VanDerWaalsContact O-CG 3.24Å; L96-Q100 WeakPolarHBondContact O-CG 3.23Å; L96-Q100 PolarHBondContact O-N 3.17Å
97	E	95.4	Very high	95.2	Very high	101 Å²	101	117.3 Å²	117.3	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-41.4	175.6	-76.3	-178	-163.7	0	0	112.2	R93 R94 Q100 R101	R93-E97 PolarHBondContact O-N 3.29Å; R94-E97 PolarHBondContact O-N 3.36Å; E97-Q100 PolarHBondContact O-N 3.38Å; E97-R101 WeakPolarHBondContact O-CB 3.45Å; E97-R101 WeakPolarHBondContact O-CG 3.3Å; E97-R101 PolarHBondContact O-N 3.06Å
98	E	94.5	Very high	95.2	Very high	121 Å²	121	119.4 Å²	119.4	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-64.8	-46.8	176.7	-173.4	179.3	177	0	0	111.5	R94 E95 Q100 R101 I102	R94-E98 WeakPolarHBondContact O-CB 3.44Å; R94-E98 PolarHBondContact O-N 3.26Å; E95-E98 PolarHBondContact O-N 2.96Å; E98-Q100 VanDerWaalsContact C-N 3.33Å; E98-Q100 PolarHBondContact O-N 3.22Å; E98-R101 PolarHBondContact O-N 3.44Å; E98-I102 HydrophobicContact CG-CD1 3.92Å; E98-I102 WeakPolarHBondContact O-CG1 3.44Å; E98-I102 PolarHBondContact O-N 3.35Å
99	K	95.2	Very high	95.1	Very high	118 Å²	118	119.6 Å²	119.6	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-59.1	-44.3	176.1	-73.3	166.2	-168.8	159.4	0	111.3	E95 R101 I102 E103	E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 WeakPolarHBondContact O-CD 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.41Å; E95-K99 PolarHBondContact O-N 3.41Å; E95-K99 IonicContact OE2-NZ 2.89Å; E95-K99 PolarHBondContact OE2-NZ 2.9Å; K99-R101 PolarHBondContact O-N 3.08Å; K99-I102 PolarHBondContact O-N 3.32Å; K99-E103 WeakPolarHBondContact O-CB 3.38Å; K99-E103 PolarHBondContact O-N 3.08Å
100	Q	95	Very high	95	Very high	126 Å²	126	119.3 Å²	119.3	59%	0.589	53%	0.525	S	S	*	.	H	α-helix	trans	-63.6	-39.1	176.7	-75.5	177.9	13	0	0	112.5	L96 E97 E98 A104	L96-Q100 WeakPolarHBondContact O-CB 3.39Å; L96-Q100 VanDerWaalsContact O-CG 3.24Å; L96-Q100 WeakPolarHBondContact O-CG 3.23Å; L96-Q100 PolarHBondContact O-N 3.17Å; E97-Q100 PolarHBondContact O-N 3.38Å; E98-Q100 VanDerWaalsContact C-N 3.33Å; E98-Q100 PolarHBondContact O-N 3.22Å; Q100-A104 VanDerWaalsContact O-CB 3.27Å; Q100-A104 WeakPolarHBondContact O-CB 3.46Å; Q100-A104 PolarHBondContact O-N 2.93Å
101	R	93.8	Very high	94.9	Very high	191 Å²	191	120.5 Å²	120.5	72%	0.721	53%	0.531	S	S	*	.	H	α-helix	trans	-63.8	-47.4	175.5	-77.8	180	175.7	-146.7	1.4	111.9	E97 E98 K99 A104 E105	E97-R101 WeakPolarHBondContact O-CB 3.45Å; E97-R101 WeakPolarHBondContact O-CG 3.3Å; E97-R101 PolarHBondContact O-N 3.06Å; E98-R101 PolarHBondContact O-N 3.44Å; K99-R101 PolarHBondContact O-N 3.08Å; R101-A104 PolarHBondContact O-N 3.34Å; R101-E105 WeakPolarHBondContact O-CB 3.32Å; R101-E105 PolarHBondContact O-N 2.96Å
102	I	95.4	Very high	94.9	Very high	70 Å²	70	121.3 Å²	121.3	36%	0.359	54%	0.535	S	S	.	.	H	α-helix	trans	-63.3	-43.2	179.5	-67	168.2	0	0	0	110.7	E98 K99 E105 K106	E98-I102 HydrophobicContact CG-CD1 3.92Å; E98-I102 WeakPolarHBondContact O-CG1 3.44Å; E98-I102 PolarHBondContact O-N 3.35Å; K99-I102 PolarHBondContact O-N 3.32Å; I102-E105 PolarHBondContact O-N 3.42Å; I102-K106 HydrophobicContact CG2-CD 4Å; I102-K106 HydrophobicContact CG2-CG 4.44Å; I102-K106 WeakPolarHBondContact O-CB 3.26Å; I102-K106 VanDerWaalsContact O-CG 3.3Å; I102-K106 WeakPolarHBondContact O-CG 3.11Å; I102-K106 PolarHBondContact O-N 2.83Å
103	E	95.1	Very high	94.7	Very high	139 Å²	139	122.8 Å²	122.8	65%	0.65	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-43.2	178.2	-172.2	177.7	-178.9	0	0	111.8	K99 E105 K106 R107	K99-E103 WeakPolarHBondContact O-CB 3.38Å; K99-E103 PolarHBondContact O-N 3.08Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 3.25Å; E103-K106 PolarHBondContact O-N 3.35Å; E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.23Å; E103-R107 PolarHBondContact O-N 3.47Å
104	A	95.7	Very high	94.6	Very high	46 Å²	46	120 Å²	120	38%	0.38	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-39.5	176.4	0	0	0	0	0	112.4	Q100 R101 R108	Q100-A104 VanDerWaalsContact O-CB 3.27Å; Q100-A104 WeakPolarHBondContact O-CB 3.46Å; Q100-A104 PolarHBondContact O-N 2.93Å; R101-A104 PolarHBondContact O-N 3.34Å; A104-R108 VanDerWaalsContact O-CG 3.31Å; A104-R108 WeakPolarHBondContact O-CG 3.48Å; A104-R108 PolarHBondContact O-N 3.38Å; A104-R108 VanDerWaalsContact O-N 3.1Å
105	E	94.3	Very high	94.5	Very high	113 Å²	113	122.3 Å²	122.3	53%	0.528	55%	0.545	S	S	.	.	H	α-helix	trans	-67.6	-47.6	176.1	-172.5	177.6	-178	0	0	111.9	R101 I102 E103 R107 R108 Q109	R101-E105 WeakPolarHBondContact O-CB 3.32Å; R101-E105 PolarHBondContact O-N 2.96Å; I102-E105 PolarHBondContact O-N 3.42Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 3.25Å; E105-R107 VanDerWaalsContact C-N 3.27Å; E105-R107 PolarHBondContact O-N 3.36Å; E105-R108 PolarHBondContact O-N 3.26Å; E105-R108 VanDerWaalsContact O-N 3.17Å; E105-Q109 WeakPolarHBondContact O-CG 3.04Å; E105-Q109 PolarHBondContact O-N 3.44Å; E105-Q109 PolarHBondContact OE1-NE2 3.44Å
106	K	95.5	Very high	94.2	Very high	135 Å²	135	123 Å²	123	59%	0.587	55%	0.551	S	S	*	*	H	α-helix	trans	-58.6	-40.4	176	-75.8	176.7	-179.8	176.7	0	111.9	I102 E103 Q109 H110	I102-K106 HydrophobicContact CG2-CD 4Å; I102-K106 HydrophobicContact CG2-CG 4.44Å; I102-K106 WeakPolarHBondContact O-CB 3.26Å; I102-K106 VanDerWaalsContact O-CG 3.3Å; I102-K106 WeakPolarHBondContact O-CG 3.11Å; I102-K106 PolarHBondContact O-N 2.83Å; E103-K106 PolarHBondContact O-N 3.35Å; K106-Q109 PolarHBondContact O-N 2.97Å; K106-H110 WeakPolarHBondContact O-CB 3.45Å; K106-H110 PolarHBondContact O-N 3.49Å
107	R	94.4	Very high	94	Very high	170 Å²	170	124.4 Å²	124.4	64%	0.642	55%	0.553	S	S	*	*	H	α-helix	trans	-63.7	-44.9	177	-176.4	176.5	170.4	-178.4	2.3	111.6	E103 E105 H110 E111	E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.23Å; E103-R107 PolarHBondContact O-N 3.47Å; E105-R107 VanDerWaalsContact C-N 3.27Å; E105-R107 PolarHBondContact O-N 3.36Å; R107-H110 PolarHBondContact O-N 3Å; R107-E111 WeakPolarHBondContact CG-OE1 3.5Å; R107-E111 IonicContact CZ-OE1 2.75Å; R107-E111 IonicContact NE-OE1 2.97Å; R107-E111 PolarHBondContact NE-OE1 2.79Å; R107-E111 IonicContact NH2-OE1 3.96Å; R107-E111 WeakPolarHBondContact O-CB 3.27Å; R107-E111 WeakPolarHBondContact O-CG 3.16Å; R107-E111 PolarHBondContact O-N 2.88Å
108	R	94.2	Very high	93.5	Very high	174 Å²	174	127.3 Å²	127.3	66%	0.657	57%	0.566	S	S	*	*	H	α-helix	trans	-60.5	-47.4	175.3	-72.7	172.9	-176.9	-174.9	1.8	111.9	A104 E105 H110 E111 E112	A104-R108 VanDerWaalsContact O-CG 3.31Å; A104-R108 WeakPolarHBondContact O-CG 3.48Å; A104-R108 PolarHBondContact O-N 3.38Å; A104-R108 VanDerWaalsContact O-N 3.1Å; E105-R108 PolarHBondContact O-N 3.26Å; E105-R108 VanDerWaalsContact O-N 3.17Å; R108-H110 VanDerWaalsContact C-N 3.3Å; R108-H110 PolarHBondContact O-N 3.32Å; R108-E111 PolarHBondContact O-N 3.39Å; R108-E112 WeakPolarHBondContact O-CG 3.27Å; R108-E112 PolarHBondContact O-N 2.72Å
109	Q	94.8	Very high	93.1	Very high	103 Å²	103	124.8 Å²	124.8	48%	0.481	57%	0.566	S	S	.	*	H	α-helix	trans	-61.9	-38.4	177.5	-69.7	176.2	2.5	0	0	112	E105 K106 E112 Y113	E105-Q109 WeakPolarHBondContact O-CG 3.04Å; E105-Q109 PolarHBondContact O-N 3.44Å; E105-Q109 PolarHBondContact OE1-NE2 3.44Å; K106-Q109 PolarHBondContact O-N 2.97Å; Q109-E112 PolarHBondContact O-N 2.89Å; Q109-Y113 WeakPolarHBondContact O-CB 3.31Å; Q109-Y113 PolarHBondContact O-N 3.24Å
110	H	93.5	Very high	92.5	Very high	115 Å²	115	126 Å²	126	53%	0.532	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-43.6	176.2	-170.7	63.7	0	0	0	111.6	K106 R107 R108 E112 Y113 L114	K106-H110 WeakPolarHBondContact O-CB 3.45Å; K106-H110 PolarHBondContact O-N 3.49Å; R107-H110 PolarHBondContact O-N 3Å; R108-H110 VanDerWaalsContact C-N 3.3Å; R108-H110 PolarHBondContact O-N 3.32Å; H110-E112 VanDerWaalsContact C-N 3.35Å; H110-Y113 PolarHBondContact O-N 2.72Å; H110-L114 WeakPolarHBondContact CE1-CD1 3.43Å; H110-L114 VanDerWaalsContact NE2-CD1 3.27Å; H110-L114 WeakPolarHBondContact NE2-CD1 3.27Å; H110-L114 WeakPolarHBondContact O-CD1 3.08Å; H110-L114 PolarHBondContact O-N 3.08Å
111	E	94.6	Very high	91.6	Very high	99 Å²	99	124.6 Å²	124.6	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-61.7	-41.5	174.9	-72.2	171.3	-171.6	0	0	111.4	R107 R108 L114 R115	R107-E111 WeakPolarHBondContact CG-OE1 3.5Å; R107-E111 IonicContact CZ-OE1 2.75Å; R107-E111 IonicContact NE-OE1 2.97Å; R107-E111 PolarHBondContact NE-OE1 2.79Å; R107-E111 IonicContact NH2-OE1 3.96Å; R107-E111 WeakPolarHBondContact O-CB 3.27Å; R107-E111 WeakPolarHBondContact O-CG 3.16Å; R107-E111 PolarHBondContact O-N 2.88Å; R108-E111 PolarHBondContact O-N 3.39Å; E111-L114 PolarHBondContact O-N 3.32Å; E111-R115 WeakPolarHBondContact O-CB 3.13Å; E111-R115 PolarHBondContact O-N 2.87Å
112	E	94.4	Very high	90.6	Very high	137 Å²	137	121 Å²	121	64%	0.64	57%	0.571	S	S	*	*	H	α-helix	trans	-64.1	-43.3	172.6	-74.8	-176	170.7	0	0	112.5	R108 Q109 H110 R115 L116	R108-E112 WeakPolarHBondContact O-CG 3.27Å; R108-E112 PolarHBondContact O-N 2.72Å; Q109-E112 PolarHBondContact O-N 2.89Å; H110-E112 VanDerWaalsContact C-N 3.35Å; E112-R115 PolarHBondContact O-N 2.79Å; E112-L116 VanDerWaalsContact O-CB 3.29Å; E112-L116 WeakPolarHBondContact O-CB 3.3Å; E112-L116 PolarHBondContact O-N 3.39Å
113	Y	92.2	Very high	89.3	Confident	140 Å²	140	126.8 Å²	126.8	55%	0.549	60%	0.597	S	S	.	*	H	α-helix	trans	-61.4	-43.9	175.8	170.7	-100	0	0	0	111.6	Q109 H110 L116 K117	Q109-Y113 WeakPolarHBondContact O-CB 3.31Å; Q109-Y113 PolarHBondContact O-N 3.24Å; H110-Y113 PolarHBondContact O-N 2.72Å; Y113-L116 PolarHBondContact O-N 2.92Å; Y113-K117 HydrophobicContact CE1-CD 4.03Å; Y113-K117 WeakPolarHBondContact O-CB 3.32Å; Y113-K117 PolarHBondContact O-N 3.38Å
114	L	93.5	Very high	87.7	Confident	84 Å²	84	122.8 Å²	122.8	44%	0.44	59%	0.592	S	S	.	*	H	α-helix	trans	-62.7	-46.3	176.4	-94.4	81.7	0	0	0	111	H110 E111 L116 K117 E118	H110-L114 WeakPolarHBondContact CE1-CD1 3.43Å; H110-L114 VanDerWaalsContact NE2-CD1 3.27Å; H110-L114 WeakPolarHBondContact NE2-CD1 3.27Å; H110-L114 WeakPolarHBondContact O-CD1 3.08Å; H110-L114 PolarHBondContact O-N 3.08Å; E111-L114 PolarHBondContact O-N 3.32Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 2.78Å; L114-K117 PolarHBondContact O-N 2.9Å; L114-E118 WeakPolarHBondContact O-CB 3.43Å; L114-E118 PolarHBondContact O-N 2.85Å
115	R	91.8	Very high	86	Confident	199 Å²	199	128.9 Å²	128.9	75%	0.751	61%	0.613	S	S	*	*	H	α-helix	trans	-60.4	-43.5	177.7	-176.2	-178.8	179.5	-178.5	0.4	111.6	E111 E112 E118 A119	E111-R115 WeakPolarHBondContact O-CB 3.13Å; E111-R115 PolarHBondContact O-N 2.87Å; E112-R115 PolarHBondContact O-N 2.79Å; R115-E118 PolarHBondContact O-N 3.45Å; R115-A119 VanDerWaalsContact O-CB 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.34Å; R115-A119 PolarHBondContact O-N 3.07Å
116	L	89.9	Confident	84.1	Confident	100 Å²	100	126.4 Å²	126.4	52%	0.524	62%	0.617	S	S	.	*	H	α-helix	trans	-68.6	-43.2	178.4	-174.9	66.8	0	0	0	110.8	E112 Y113 L114 E118 A119 F120	E112-L116 VanDerWaalsContact O-CB 3.29Å; E112-L116 WeakPolarHBondContact O-CB 3.3Å; E112-L116 PolarHBondContact O-N 3.39Å; Y113-L116 PolarHBondContact O-N 2.92Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 2.78Å; L116-E118 VanDerWaalsContact C-N 3.29Å; L116-E118 PolarHBondContact O-N 2.88Å; L116-A119 CarbonylContact O-C 3.44Å; L116-A119 PolarHBondContact O-N 3.45Å; L116-F120 HydrophobicContact CD1-CD2 4.03Å; L116-F120 HydrophobicContact CD1-CE2 3.64Å; L116-F120 HydrophobicContact CD2-CD2 4.47Å; L116-F120 HydrophobicContact CD2-CE2 3.85Å; L116-F120 HydrophobicContact CG-CD2 3.71Å; L116-F120 HydrophobicContact CG-CE2 3.48Å; L116-F120 VanDerWaalsContact CG-CE2 3.48Å; L116-F120 WeakPolarHBondContact O-CD2 3.34Å; L116-F120 PolarHBondContact O-N 3.17Å
117	K	89.9	Confident	81.7	Confident	131 Å²	131	124.8 Å²	124.8	57%	0.57	62%	0.622	S	S	*	*	H	α-helix	trans	-58.8	-39.6	174.9	-179.5	-178.1	177.8	-179.5	0	112.1	Y113 L114	Y113-K117 HydrophobicContact CE1-CD 4.03Å; Y113-K117 WeakPolarHBondContact O-CB 3.32Å; Y113-K117 PolarHBondContact O-N 3.38Å; L114-K117 PolarHBondContact O-N 2.9Å
118	E	86.9	Confident	79.6	Confident	162 Å²	162	121 Å²	121	76%	0.757	62%	0.615	S	S	*	*	H	α-helix	trans	-72.4	-37.4	175.6	-172.8	176.5	-164.3	0	0	111.9	L114 R115 L116 F120	L114-E118 WeakPolarHBondContact O-CB 3.43Å; L114-E118 PolarHBondContact O-N 2.85Å; R115-E118 PolarHBondContact O-N 3.45Å; L116-E118 VanDerWaalsContact C-N 3.29Å; L116-E118 PolarHBondContact O-N 2.88Å; E118-F120 VanDerWaalsContact C-N 3.32Å
119	A	86.2	Confident	77.6	Confident	68 Å²	68	115.5 Å²	115.5	56%	0.562	61%	0.606	S	S	*	*	H	α-helix	trans	-70.1	-26.9	174.6	0	0	0	0	0	113.2	R115 L116 T121	R115-A119 VanDerWaalsContact O-CB 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.34Å; R115-A119 PolarHBondContact O-N 3.07Å; L116-A119 CarbonylContact O-C 3.44Å; L116-A119 PolarHBondContact O-N 3.45Å; A119-T121 PolarHBondContact O-N 3.3Å
120	F	81.6	Confident	75.6	Confident	144 Å²	144	116.6 Å²	116.6	63%	0.632	62%	0.615	S	S	*	*			trans	-70.2	81	168.1	-86.5	-73	0	0	0	109.1	L116 E118 V122	L116-F120 HydrophobicContact CD1-CD2 4.03Å; L116-F120 HydrophobicContact CD1-CE2 3.64Å; L116-F120 HydrophobicContact CD2-CD2 4.47Å; L116-F120 HydrophobicContact CD2-CE2 3.85Å; L116-F120 HydrophobicContact CG-CD2 3.71Å; L116-F120 HydrophobicContact CG-CE2 3.48Å; L116-F120 VanDerWaalsContact CG-CE2 3.48Å; L116-F120 WeakPolarHBondContact O-CD2 3.34Å; L116-F120 PolarHBondContact O-N 3.17Å; E118-F120 VanDerWaalsContact C-N 3.32Å; F120-V122 PolarHBondContact O-N 2.98Å
121	T	76.1	Confident	73.5	Confident	97 Å²	97	117.1 Å²	117.1	60%	0.595	62%	0.618	S	S	*	*			trans	-71.4	119.9	158.3	46.2	0	0	0	0	107.7	A119 E123	A119-T121 PolarHBondContact O-N 3.3Å; T121-E123 VanDerWaalsContact C-N 3.28Å; T121-E123 PolarHBondContact O-N 3.41Å
122	V	73.7	Confident	71.5	Confident	115 Å²	115	117.5 Å²	117.5	70%	0.697	62%	0.623	S	S	*	*			trans	-69.1	91.8	170.2	-178.5	0	0	0	0	106.8	F120 G124 E125	F120-V122 PolarHBondContact O-N 2.98Å; V122-G124 PolarHBondContact O-N 3.34Å; V122-E125 HydrophobicContact CG1-CG 4.27Å
123	E	66.6	Low	69.7	Low	192 Å²	192	113.7 Å²	113.7	90%	0.897	62%	0.615	S	S	*	*	S	Bend	trans	-72.4	0.7	-179.2	-69.3	-169.8	156.3	0	0	113.4	T121	T121-E123 VanDerWaalsContact C-N 3.28Å; T121-E123 PolarHBondContact O-N 3.41Å
124	G	63	Low	68.5	Low	54 Å²	54	111.9 Å²	111.9	56%	0.557	62%	0.615	S	S	*	*			trans	-169.6	102.1	168.9	0	0	0	0	0	109.2	V122 G126	V122-G124 PolarHBondContact O-N 3.34Å; G124-G126 VanDerWaalsContact C-N 3.27Å; G124-G126 PolarHBondContact O-N 2.87Å; G124-G126 VanDerWaalsContact O-N 3.07Å
125	E	58.5	Low	67.2	Low	175 Å²	175	110.2 Å²	110.2	82%	0.818	61%	0.613	S	S	*	*			trans	-59	110.3	142.3	-89.5	179.5	157.9	0	0	103.6	V122 C127	V122-E125 HydrophobicContact CG1-CG 4.27Å; E125-C127 PolarHBondContact O-N 3.46Å
126	G	54.6	Low	66.4	Low	60 Å²	60	107.8 Å²	107.8	62%	0.619	61%	0.61	S	S	*	*			trans	-50.3	105.1	160.1	0	0	0	0	0	104.9	G124 D128	G124-G126 VanDerWaalsContact C-N 3.27Å; G124-G126 PolarHBondContact O-N 2.87Å; G124-G126 VanDerWaalsContact O-N 3.07Å; G126-D128 PolarHBondContact O-N 3.41Å
127	C	46.1	Very low	65.9	Low	102 Å²	102	104.4 Å²	104.4	69%	0.689	60%	0.6	S	S	*	*			trans	-71.7	91.9	176.6	-169.2	0	0	0	0	103.9	E125 A129	E125-C127 PolarHBondContact O-N 3.46Å; C127-A129 PolarHBondContact O-N 2.78Å; C127-A129 WeakPolarHBondContact SG-CB 3.38Å
128	D	50.3	Low	65.6	Low	91 Å²	91	101.6 Å²	101.6	49%	0.487	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	28.5	167.8	-63.6	-25.9	0	0	0	110.4	G126 E131 N132	G126-D128 PolarHBondContact O-N 3.41Å; D128-E131 HydrophobicContact CB-CB 4.07Å; D128-E131 HydrophobicContact CB-CG 4.21Å; D128-E131 PolarHBondContact O-N 3.27Å; D128-N132 PolarHBondContact O-N 2.85Å; D128-N132 VanDerWaalsContact O-N 3.08Å; D128-N132 PolarHBondContact O-ND2 3.31Å
129	A	52.1	Low	65.5	Low	57 Å²	57	98.3 Å²	98.3	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-66.4	-28.6	170.3	0	0	0	0	0	111.3	C127 A133	C127-A129 PolarHBondContact O-N 2.78Å; C127-A129 WeakPolarHBondContact SG-CB 3.38Å; A129-A133 PolarHBondContact O-N 3.44Å
130	D	51.2	Low	65.6	Low	126 Å²	126	103.7 Å²	103.7	67%	0.674	58%	0.578	S	S	*	*	H	α-helix	trans	-78.1	-34.2	170.4	-92.5	-21.3	0	0	0	111.9	N132 A133 D134	D130-N132 VanDerWaalsContact C-N 3.3Å; D130-N132 PolarHBondContact O-N 3.4Å; D130-A133 PolarHBondContact O-N 3.33Å; D130-D134 VanDerWaalsContact O-CB 3.27Å; D130-D134 WeakPolarHBondContact O-CB 3.4Å; D130-D134 PolarHBondContact O-N 3.46Å
131	E	50.7	Low	65.9	Low	127 Å²	127	103.3 Å²	103.3	59%	0.593	58%	0.576	S	S	*	*	H	α-helix	trans	-65.8	-33.6	175.3	-64	-162.2	162.3	0	0	112.1	D128 A135	D128-E131 HydrophobicContact CB-CB 4.07Å; D128-E131 HydrophobicContact CB-CG 4.21Å; D128-E131 PolarHBondContact O-N 3.27Å; E131-A135 WeakPolarHBondContact O-CA 3.29Å; E131-A135 WeakPolarHBondContact O-CB 3.3Å; E131-A135 PolarHBondContact O-N 2.83Å
132	N	52.9	Low	66.5	Low	106 Å²	106	98.8 Å²	98.8	57%	0.567	55%	0.548	S	S	*	.	H	α-helix	trans	-71	-42.4	176.7	-73.6	-57.3	0	0	0	112.4	D128 D130 D134 A135 E136	D128-N132 PolarHBondContact O-N 2.85Å; D128-N132 VanDerWaalsContact O-N 3.08Å; D128-N132 PolarHBondContact O-ND2 3.31Å; D130-N132 VanDerWaalsContact C-N 3.3Å; D130-N132 PolarHBondContact O-N 3.4Å; N132-D134 VanDerWaalsContact C-N 3.33Å; N132-A135 PolarHBondContact O-N 3.48Å; N132-E136 WeakPolarHBondContact O-CG 3.44Å; N132-E136 PolarHBondContact O-N 2.8Å
133	A	56.5	Low	67.2	Low	57 Å²	57	93.7 Å²	93.7	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-40.8	175.1	0	0	0	0	0	111.2	A129 D130 G137	A129-A133 PolarHBondContact O-N 3.44Å; D130-A133 PolarHBondContact O-N 3.33Å; A133-G137 PolarHBondContact O-N 3.18Å
134	D	65.8	Low	68.4	Low	103 Å²	103	88.1 Å²	88.1	55%	0.551	49%	0.494	S	S	*	.	H	α-helix	trans	-66.6	-37.7	172.8	-76.9	-25.4	0	0	0	111.5	D130 N132 G137 L138	D130-D134 VanDerWaalsContact O-CB 3.27Å; D130-D134 WeakPolarHBondContact O-CB 3.4Å; D130-D134 PolarHBondContact O-N 3.46Å; N132-D134 VanDerWaalsContact C-N 3.33Å; D134-G137 CarbonylContact O-C 3.55Å; D134-G137 PolarHBondContact O-N 2.92Å; D134-L138 VanDerWaalsContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CB 3.21Å; D134-L138 WeakPolarHBondContact O-CD1 3.38Å; D134-L138 WeakPolarHBondContact O-CG 3.35Å; D134-L138 PolarHBondContact O-N 2.82Å
135	A	67.3	Low	69.6	Low	48 Å²	48	88.3 Å²	88.3	40%	0.397	48%	0.478	S	S	.	.	H	α-helix	trans	-66.8	-42.6	177.8	0	0	0	0	0	112	E131 N132 G137 L138 Y139	E131-A135 WeakPolarHBondContact O-CA 3.29Å; E131-A135 WeakPolarHBondContact O-CB 3.3Å; E131-A135 PolarHBondContact O-N 2.83Å; N132-A135 PolarHBondContact O-N 3.48Å; A135-G137 VanDerWaalsContact C-N 3.34Å; A135-L138 PolarHBondContact O-N 2.83Å; A135-Y139 VanDerWaalsContact O-CB 3.26Å; A135-Y139 WeakPolarHBondContact O-CB 3.43Å; A135-Y139 PolarHBondContact O-N 2.82Å
136	E	74	Confident	71.1	Confident	148 Å²	148	80 Å²	80	69%	0.692	44%	0.439	S	S	*	.	H	α-helix	trans	-63.6	-41.9	172.8	-73.4	-173.5	-179	0	0	111.2	N132 Y139 R140	N132-E136 WeakPolarHBondContact O-CG 3.44Å; N132-E136 PolarHBondContact O-N 2.8Å; E136-Y139 PolarHBondContact O-N 3.16Å; E136-R140 PolarHBondContact O-N 2.89Å
137	G	81.1	Confident	72.7	Confident	29 Å²	29	81.6 Å²	81.6	30%	0.299	43%	0.429	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174.5	0	0	0	0	0	112.8	A133 D134 A135 R140 K141	A133-G137 PolarHBondContact O-N 3.18Å; D134-G137 CarbonylContact O-C 3.55Å; D134-G137 PolarHBondContact O-N 2.92Å; A135-G137 VanDerWaalsContact C-N 3.34Å; G137-R140 PolarHBondContact O-N 3.5Å; G137-K141 WeakPolarHBondContact O-CB 3.44Å; G137-K141 VanDerWaalsContact O-CG 3.23Å; G137-K141 WeakPolarHBondContact O-CG 3.44Å; G137-K141 PolarHBondContact O-N 3.36Å
138	L	82	Confident	74.7	Confident	73 Å²	73	77.6 Å²	77.6	38%	0.382	40%	0.403	S	S	.	.	H	α-helix	trans	-65.5	-41.9	175.4	-75.5	165.9	0	0	0	110.9	D134 A135 R140 K141 F142 F161	D134-L138 VanDerWaalsContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CB 3.21Å; D134-L138 WeakPolarHBondContact O-CD1 3.38Å; D134-L138 WeakPolarHBondContact O-CG 3.35Å; D134-L138 PolarHBondContact O-N 2.82Å; A135-L138 PolarHBondContact O-N 2.83Å; L138-R140 PolarHBondContact O-N 2.92Å; L138-K141 PolarHBondContact O-N 3.47Å; L138-F142 VanDerWaalsContact O-CB 3.24Å; L138-F142 WeakPolarHBondContact O-CB 3.31Å; L138-F142 PolarHBondContact O-N 3.49Å; L138-F161 HydrophobicContact CD2-CD1 4.19Å; L138-F161 HydrophobicContact CD2-CE1 4.43Å
139	Y	85.4	Confident	76.5	Confident	93 Å²	93	75.6 Å²	75.6	37%	0.365	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-47	176.2	-178.5	-90.2	0	0	0	110.9	A135 E136 F142 V143 M175	A135-Y139 VanDerWaalsContact O-CB 3.26Å; A135-Y139 WeakPolarHBondContact O-CB 3.43Å; A135-Y139 PolarHBondContact O-N 2.82Å; E136-Y139 PolarHBondContact O-N 3.16Å; Y139-F142 WeakPolarHBondContact O-CB 3.31Å; Y139-F142 PolarHBondContact O-N 3.31Å; Y139-V143 HydrophobicContact CD1-CG2 4.37Å; Y139-V143 HydrophobicContact CE1-CG2 4.02Å; Y139-V143 WeakPolarHBondContact O-CG2 3.5Å; Y139-V143 PolarHBondContact O-N 3.19Å; Y139-M175 HydrophobicContact CD2-CE 3.38Å; Y139-M175 HydrophobicContact CE2-CE 3.24Å; Y139-M175 HydrophobicContact CE2-CG 3.85Å; Y139-M175 HydrophobicContact CE2-SD 4.34Å; Y139-M175 HydrophobicContact CG-CE 4.22Å
140	R	87.5	Confident	78	Confident	180 Å²	180	74.3 Å²	74.3	68%	0.679	38%	0.376	S	S	*	.	H	α-helix	trans	-64.3	-45.9	177	-171.6	170.1	-178.3	169.7	1	112.2	E136 G137 L138 F142 V143 D144	E136-R140 PolarHBondContact O-N 2.89Å; G137-R140 PolarHBondContact O-N 3.5Å; L138-R140 PolarHBondContact O-N 2.92Å; R140-F142 PolarHBondContact O-N 2.95Å; R140-V143 PolarHBondContact O-N 2.96Å; R140-D144 WeakPolarHBondContact O-CB 3.4Å; R140-D144 VanDerWaalsContact O-CG 3.23Å; R140-D144 PolarHBondContact O-N 3.42Å
141	K	88.1	Confident	79.9	Confident	136 Å²	136	71.1 Å²	71.1	59%	0.591	36%	0.361	S	S	*	.	H	α-helix	trans	-58.2	-37.3	174.6	-73.6	170.1	-174.9	174.3	0	111.9	G137 L138 Y145 F161	G137-K141 WeakPolarHBondContact O-CB 3.44Å; G137-K141 VanDerWaalsContact O-CG 3.23Å; G137-K141 WeakPolarHBondContact O-CG 3.44Å; G137-K141 PolarHBondContact O-N 3.36Å; L138-K141 PolarHBondContact O-N 3.47Å; K141-Y145 VanDerWaalsContact O-CB 3.27Å; K141-Y145 WeakPolarHBondContact O-CB 3.49Å; K141-Y145 PolarHBondContact O-N 2.96Å; K141-F161 HydrophobicContact CB-CE1 4.21Å; K141-F161 HydrophobicContact CB-CZ 4.42Å
142	F	88.7	Confident	81.8	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-48.5	178.1	-170.2	-82.8	0	0	0	111.7	L138 Y139 R140 D144 Y145 V146 L157 F161 V168 L172 M175	L138-F142 VanDerWaalsContact O-CB 3.24Å; L138-F142 WeakPolarHBondContact O-CB 3.31Å; L138-F142 PolarHBondContact O-N 3.49Å; Y139-F142 WeakPolarHBondContact O-CB 3.31Å; Y139-F142 PolarHBondContact O-N 3.31Å; R140-F142 PolarHBondContact O-N 2.95Å; F142-D144 VanDerWaalsContact C-N 3.34Å; F142-D144 PolarHBondContact O-N 3.46Å; F142-Y145 PolarHBondContact O-N 2.93Å; F142-V146 HydrophobicContact CD1-CG2 4.32Å; F142-V146 HydrophobicContact CE1-CG2 4.24Å; F142-V146 WeakPolarHBondContact O-CG2 3.46Å; F142-V146 PolarHBondContact O-N 2.95Å; F142-L157 HydrophobicContact CD2-CD1 4.23Å; F142-L157 HydrophobicContact CD2-CG 4.47Å; F142-L157 HydrophobicContact CE1-CD2 4.2Å; F142-L157 HydrophobicContact CE2-CD1 3.95Å; F142-L157 HydrophobicContact CE2-CD2 3.74Å; F142-L157 HydrophobicContact CE2-CG 3.71Å; F142-L157 HydrophobicContact CZ-CD1 4.43Å; F142-L157 HydrophobicContact CZ-CD2 3.48Å; F142-L157 VanDerWaalsContact CZ-CD2 3.48Å; F142-L157 HydrophobicContact CZ-CG 4.02Å; F142-F161 VanDerWaalsContact CA-CZ 3.44Å; F142-F161 HydrophobicContact CB-CE1 4.07Å; F142-F161 HydrophobicContact CB-CE2 4.35Å; F142-F161 HydrophobicContact CB-CZ 3.85Å; F142-F161 HydrophobicContact CD2-CD1 4.28Å; F142-F161 AromaticContact CD2-CD2 3.66Å; F142-F161 HydrophobicContact CD2-CD2 3.66Å; F142-F161 HydrophobicContact CD2-CE1 4.22Å; F142-F161 AromaticContact CD2-CE2 3.62Å; F142-F161 HydrophobicContact CD2-CE2 3.62Å; F142-F161 HydrophobicContact CD2-CG 4.02Å; F142-F161 AromaticContact CD2-CZ 3.92Å; F142-F161 HydrophobicContact CD2-CZ 3.92Å; F142-F161 HydrophobicContact CE2-CD2 4.14Å; F142-F161 HydrophobicContact CE2-CE2 4.38Å; F142-F161 HydrophobicContact CG-CE2 4.29Å; F142-F161 HydrophobicContact CG-CZ 4.28Å; F142-V168 HydrophobicContact CE2-CG1 4.33Å; F142-V168 HydrophobicContact CZ-CG1 4.07Å; F142-L172 HydrophobicContact CE1-CD2 3.65Å; F142-L172 HydrophobicContact CE1-CG 3.85Å; F142-L172 HydrophobicContact CZ-CD2 4.2Å; F142-L172 HydrophobicContact CZ-CG 3.94Å; F142-M175 HydrophobicContact CB-CE 4.37Å; F142-M175 HydrophobicContact CD1-CE 3.37Å; F142-M175 HydrophobicContact CD1-SD 3.51Å; F142-M175 VanDerWaalsContact CD1-SD 3.51Å; F142-M175 HydrophobicContact CE1-CE 3.81Å; F142-M175 HydrophobicContact CE1-SD 3.59Å; F142-M175 VanDerWaalsContact CE1-SD 3.59Å; F142-M175 HydrophobicContact CG-CE 4.1Å
143	V	89.6	Confident	83.6	Confident	9 Å²	9	61.6 Å²	61.6	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-45	175	172.8	0	0	0	0	110.7	Y139 R140 Y145 V146 K147 M175 V180 L181	Y139-V143 HydrophobicContact CD1-CG2 4.37Å; Y139-V143 HydrophobicContact CE1-CG2 4.02Å; Y139-V143 WeakPolarHBondContact O-CG2 3.5Å; Y139-V143 PolarHBondContact O-N 3.19Å; R140-V143 PolarHBondContact O-N 2.96Å; V143-Y145 VanDerWaalsContact C-N 3.34Å; V143-Y145 PolarHBondContact O-N 3.39Å; V143-V146 PolarHBondContact O-N 3.43Å; V143-K147 HydrophobicContact CG1-CD 3.96Å; V143-K147 HydrophobicContact CG1-CG 4.45Å; V143-K147 WeakPolarHBondContact O-CB 3.33Å; V143-K147 WeakPolarHBondContact O-CG 3.32Å; V143-K147 PolarHBondContact O-N 2.97Å; V143-M175 HydrophobicContact CG2-CE 4.14Å; V143-M175 HydrophobicContact CG2-SD 4.02Å; V143-V180 HydrophobicContact CG1-CG1 4.26Å; V143-V180 HydrophobicContact CG2-CG1 4.1Å; V143-L181 HydrophobicContact CG1-CD2 4.04Å; V143-L181 HydrophobicContact CG1-CG 4.42Å; V143-L181 HydrophobicContact CG2-CD1 4.38Å
144	D	90.2	Very high	85.3	Confident	75 Å²	75	59.1 Å²	59.1	40%	0.401	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-37.2	179.4	-69.9	-17.4	0	0	0	112	R140 F142 K147 A148	R140-D144 WeakPolarHBondContact O-CB 3.4Å; R140-D144 VanDerWaalsContact O-CG 3.23Å; R140-D144 PolarHBondContact O-N 3.42Å; F142-D144 VanDerWaalsContact C-N 3.34Å; F142-D144 PolarHBondContact O-N 3.46Å; D144-K147 PolarHBondContact O-N 3.46Å; D144-A148 VanDerWaalsContact O-CB 3.28Å; D144-A148 WeakPolarHBondContact O-CB 3.22Å; D144-A148 PolarHBondContact O-N 2.97Å
145	Y	89.3	Confident	86.5	Confident	58 Å²	58	61.4 Å²	61.4	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-43.6	176	-176	-85.2	0	0	0	111.8	K141 F142 V143 A148 N149 V152 L157 E160 F161	K141-Y145 VanDerWaalsContact O-CB 3.27Å; K141-Y145 WeakPolarHBondContact O-CB 3.49Å; K141-Y145 PolarHBondContact O-N 2.96Å; F142-Y145 PolarHBondContact O-N 2.93Å; V143-Y145 VanDerWaalsContact C-N 3.34Å; V143-Y145 PolarHBondContact O-N 3.39Å; Y145-A148 PolarHBondContact O-N 3.38Å; Y145-N149 WeakPolarHBondContact CE1-ND2 3.27Å; Y145-N149 WeakPolarHBondContact CE2-ND2 3.43Å; Y145-N149 VanDerWaalsContact CZ-ND2 3.32Å; Y145-N149 WeakPolarHBondContact O-CB 3.31Å; Y145-N149 PolarHBondContact O-N 2.94Å; Y145-N149 PolarHBondContact O-ND2 3.1Å; Y145-N149 VanDerWaalsContact O-ND2 3.1Å; Y145-V152 HydrophobicContact CE1-CG1 4Å; Y145-V152 HydrophobicContact CE1-CG2 4.36Å; Y145-L157 HydrophobicContact CD1-CD1 3.45Å; Y145-L157 VanDerWaalsContact CD1-CD1 3.45Å; Y145-L157 HydrophobicContact CE1-CD1 3.69Å; Y145-L157 HydrophobicContact CG-CD1 4.34Å; Y145-E160 HydrophobicContact CE2-CG 4.09Å; Y145-F161 HydrophobicContact CG-CE2 4.43Å
146	V	89.7	Confident	87.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69.5	-35.4	178.2	175.3	0	0	0	0	111.5	F142 V143 N149 L157 L172 L181 F191 H193	F142-V146 HydrophobicContact CD1-CG2 4.32Å; F142-V146 HydrophobicContact CE1-CG2 4.24Å; F142-V146 WeakPolarHBondContact O-CG2 3.46Å; F142-V146 PolarHBondContact O-N 2.95Å; V143-V146 PolarHBondContact O-N 3.43Å; V146-N149 CarbonylContact O-C 3.59Å; V146-L157 HydrophobicContact CG2-CD1 4.45Å; V146-L157 HydrophobicContact CG2-CD2 4.11Å; V146-L172 HydrophobicContact CG2-CD2 4.16Å; V146-L181 HydrophobicContact CB-CD1 4.26Å; V146-L181 HydrophobicContact CG1-CD1 4.06Å; V146-L181 HydrophobicContact CG1-CD2 4.34Å; V146-F191 HydrophobicContact CG1-CD1 3.64Å; V146-F191 HydrophobicContact CG1-CE1 3.55Å; V146-H193 HydrophobicContact CG1-CB 4.09Å
147	K	88.4	Confident	88.3	Confident	94 Å²	94	56.5 Å²	56.5	41%	0.409	27%	0.273	S	S	.	.	H	α-helix	trans	-68.3	-42.4	174.4	-74.3	179.9	177.8	-178.7	0	112.4	V143 D144 L181	V143-K147 HydrophobicContact CG1-CD 3.96Å; V143-K147 HydrophobicContact CG1-CG 4.45Å; V143-K147 WeakPolarHBondContact O-CB 3.33Å; V143-K147 WeakPolarHBondContact O-CG 3.32Å; V143-K147 PolarHBondContact O-N 2.97Å; D144-K147 PolarHBondContact O-N 3.46Å; K147-L181 HydrophobicContact CG-CD2 3.99Å
148	A	87.6	Confident	88.7	Confident	17 Å²	17	55.4 Å²	55.4	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-39.7	178.2	0	0	0	0	0	112.2	D144 Y145 E230	D144-A148 VanDerWaalsContact O-CB 3.28Å; D144-A148 WeakPolarHBondContact O-CB 3.22Å; D144-A148 PolarHBondContact O-N 2.97Å; Y145-A148 PolarHBondContact O-N 3.38Å; A148-E230 PolarHBondContact O-N 3.31Å
149	N	87.7	Confident	89	Confident	50 Å²	50	54.9 Å²	54.9	27%	0.267	27%	0.274	S	S	.	.			trans	-102.2	89.7	178.6	-61.9	-57.7	0	0	0	109.6	Y145 V146 V151 V152	Y145-N149 WeakPolarHBondContact CE1-ND2 3.27Å; Y145-N149 WeakPolarHBondContact CE2-ND2 3.43Å; Y145-N149 VanDerWaalsContact CZ-ND2 3.32Å; Y145-N149 WeakPolarHBondContact O-CB 3.31Å; Y145-N149 PolarHBondContact O-N 2.94Å; Y145-N149 PolarHBondContact O-ND2 3.1Å; Y145-N149 VanDerWaalsContact O-ND2 3.1Å; V146-N149 CarbonylContact O-C 3.59Å; N149-V151 PolarHBondContact O-N 3.34Å; N149-V152 HydrophobicContact CB-CG2 3.67Å; N149-V152 WeakPolarHBondContact O-CG2 3.33Å
150	K	85.4	Confident	89	Confident	30 Å²	30	56.5 Å²	56.5	13%	0.13	29%	0.285	C	S	.	.	S	Bend	trans	-53.8	-30.4	-180	-73.6	-173.8	175.4	-168	0	114.1	I192 H193 E198 D226	K150-I192 CarbonylContact O-C 3.53Å; K150-I192 WeakPolarHBondContact O-CA 3.32Å; K150-H193 PolarHBondContact O-N 3.17Å; K150-E198 IonicContact NZ-OE1 2.65Å; K150-E198 PolarHBondContact NZ-OE1 3.46Å; K150-D226 WeakPolarHBondContact CD-O 3.24Å; K150-D226 WeakPolarHBondContact CE-O 3.48Å; K150-D226 PolarHBondContact NZ-O 2.91Å
151	V	89.4	Confident	89.1	Confident	58 Å²	58	50.1 Å²	50.1	35%	0.352	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.6	172.2	-175.3	0	0	0	0	109.4	N149 K190 L227	N149-V151 PolarHBondContact O-N 3.34Å; V151-K190 HydrophobicContact CG1-CD 4.22Å; V151-L227 HydrophobicContact CG2-CB 4.21Å; V151-L227 HydrophobicContact CG2-CD2 3.68Å; V151-L227 HydrophobicContact CG2-CG 4.42Å
152	V	91	Very high	89	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.2	178.1	-174.2	0	0	0	0	110.8	Y145 N149 L157 K190 F191	Y145-V152 HydrophobicContact CE1-CG1 4Å; Y145-V152 HydrophobicContact CE1-CG2 4.36Å; N149-V152 HydrophobicContact CB-CG2 3.67Å; N149-V152 WeakPolarHBondContact O-CG2 3.33Å; V152-L157 HydrophobicContact CG1-CB 3.68Å; V152-L157 HydrophobicContact CG1-CD1 4.21Å; V152-L157 HydrophobicContact CG1-CD2 3.96Å; V152-L157 HydrophobicContact CG1-CG 4.19Å; V152-K190 CarbonylContact O-C 3.35Å; V152-K190 VanDerWaalsContact O-CA 3.31Å; V152-K190 WeakPolarHBondContact O-CA 3.45Å; V152-F191 PolarHBondContact N-O 3.24Å; V152-F191 PolarHBondContact O-N 2.9Å
153	S	92	Very high	89	Confident	29 Å²	29	48.8 Å²	48.8	20%	0.203	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132	165.4	175.7	0	0	0	0	109.5	E155 I156 L157	S153-E155 PolarHBondContact O-N 3.43Å; S153-E155 PolarHBondContact OG-N 2.93Å; S153-I156 PolarHBondContact O-N 2.92Å; S153-I156 VanDerWaalsContact O-N 3.15Å; S153-L157 PolarHBondContact O-N 3.26Å
154	M	91	Very high	89	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-32.1	178.4	-61.7	-55.9	-175.4	0	0	112.5	A158 T165 V168 I169 L172 F185 G189 F191	M154-A158 WeakPolarHBondContact O-CB 3.31Å; M154-A158 PolarHBondContact O-N 2.88Å; M154-T165 HydrophobicContact CB-CG2 3.73Å; M154-V168 HydrophobicContact SD-CG1 4.1Å; M154-I169 HydrophobicContact CE-CG1 4.46Å; M154-I169 HydrophobicContact CG-CG1 4.22Å; M154-I169 HydrophobicContact SD-CG1 4.38Å; M154-L172 HydrophobicContact CE-CD1 3.51Å; M154-L172 HydrophobicContact SD-CD1 3.33Å; M154-L172 WeakPolarHBondContact SD-CD1 3.36Å; M154-F185 HydrophobicContact CE-CD1 3.36Å; M154-F185 HydrophobicContact CE-CE1 3.43Å; M154-F185 VanDerWaalsContact CE-CE1 3.43Å; M154-G189 VanDerWaalsContact CG-O 3.28Å; M154-G189 WeakPolarHBondContact CG-O 3.25Å; M154-G189 PolarHBondContact N-O 3.48Å; M154-F191 HydrophobicContact CE-CB 3.65Å; M154-F191 HydrophobicContact CE-CD2 4.39Å; M154-F191 HydrophobicContact CE-CG 4.42Å; M154-F191 HydrophobicContact SD-CB 4.4Å
155	E	90.8	Very high	89	Confident	150 Å²	150	56.7 Å²	56.7	70%	0.701	31%	0.308	S	S	*	.	H	α-helix	trans	-69.2	-41	177.6	-63.5	-180	170.9	0	0	111.8	S153 A158 G159	S153-E155 PolarHBondContact O-N 3.43Å; S153-E155 PolarHBondContact OG-N 2.93Å; E155-A158 PolarHBondContact O-N 2.75Å; E155-G159 PolarHBondContact O-N 2.97Å
156	I	88.9	Confident	89.1	Confident	93 Å²	93	56.7 Å²	56.7	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-67.3	-45.9	176.9	-62.3	176.5	0	0	0	109.2	S153 A158 G159 E160	S153-I156 PolarHBondContact O-N 2.92Å; S153-I156 VanDerWaalsContact O-N 3.15Å; I156-A158 VanDerWaalsContact C-N 3.31Å; I156-A158 PolarHBondContact O-N 2.99Å; I156-G159 WeakPolarHBondContact O-CA 3.28Å; I156-G159 PolarHBondContact O-N 3.38Å; I156-E160 HydrophobicContact CG2-CG 4.39Å; I156-E160 WeakPolarHBondContact O-CG 3.45Å; I156-E160 PolarHBondContact O-N 2.98Å
157	L	90.4	Very high	89.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-40.9	177.8	-169.5	59.6	0	0	0	112.1	F142 Y145 V146 V152 S153 G159 E160 F161 V168 L172	F142-L157 HydrophobicContact CD2-CD1 4.23Å; F142-L157 HydrophobicContact CD2-CG 4.47Å; F142-L157 HydrophobicContact CE1-CD2 4.2Å; F142-L157 HydrophobicContact CE2-CD1 3.95Å; F142-L157 HydrophobicContact CE2-CD2 3.74Å; F142-L157 HydrophobicContact CE2-CG 3.71Å; F142-L157 HydrophobicContact CZ-CD1 4.43Å; F142-L157 HydrophobicContact CZ-CD2 3.48Å; F142-L157 VanDerWaalsContact CZ-CD2 3.48Å; F142-L157 HydrophobicContact CZ-CG 4.02Å; Y145-L157 HydrophobicContact CD1-CD1 3.45Å; Y145-L157 VanDerWaalsContact CD1-CD1 3.45Å; Y145-L157 HydrophobicContact CE1-CD1 3.69Å; Y145-L157 HydrophobicContact CG-CD1 4.34Å; V146-L157 HydrophobicContact CG2-CD1 4.45Å; V146-L157 HydrophobicContact CG2-CD2 4.11Å; V152-L157 HydrophobicContact CG1-CB 3.68Å; V152-L157 HydrophobicContact CG1-CD1 4.21Å; V152-L157 HydrophobicContact CG1-CD2 3.96Å; V152-L157 HydrophobicContact CG1-CG 4.19Å; S153-L157 PolarHBondContact O-N 3.26Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.47Å; L157-E160 PolarHBondContact O-N 3.4Å; L157-F161 HydrophobicContact CD1-CD2 3.77Å; L157-F161 HydrophobicContact CD1-CE2 3.57Å; L157-F161 HydrophobicContact CG-CD2 4.39Å; L157-F161 WeakPolarHBondContact O-CD2 3.28Å; L157-F161 PolarHBondContact O-N 3.04Å; L157-V168 HydrophobicContact CB-CG1 4.17Å; L157-V168 HydrophobicContact CD2-CG1 3.54Å; L157-V168 HydrophobicContact CG-CG1 3.86Å; L157-L172 HydrophobicContact CD2-CD1 3.97Å
158	A	89.8	Confident	89.3	Confident	7 Å²	7	55.4 Å²	55.4	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-41.8	172.6	0	0	0	0	0	112.1	M154 E155 I156 G162 M163 V168	M154-A158 WeakPolarHBondContact O-CB 3.31Å; M154-A158 PolarHBondContact O-N 2.88Å; E155-A158 PolarHBondContact O-N 2.75Å; I156-A158 VanDerWaalsContact C-N 3.31Å; I156-A158 PolarHBondContact O-N 2.99Å; A158-G162 WeakPolarHBondContact O-CA 3.34Å; A158-G162 PolarHBondContact O-N 3.48Å; A158-M163 WeakPolarHBondContact CB-O 3.36Å; A158-M163 PolarHBondContact O-N 2.98Å; A158-V168 HydrophobicContact CB-CG2 3.99Å
159	G	88	Confident	89.5	Confident	61 Å²	61	56.9 Å²	56.9	63%	0.629	32%	0.322	S	S	*	.	H	α-helix	trans	-63.6	-44.5	176	0	0	0	0	0	113.7	E155 I156 L157 F161 G162	E155-G159 PolarHBondContact O-N 2.97Å; I156-G159 WeakPolarHBondContact O-CA 3.28Å; I156-G159 PolarHBondContact O-N 3.38Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.47Å; G159-F161 VanDerWaalsContact C-N 3.34Å; G159-F161 PolarHBondContact O-N 3.43Å; G159-G162 PolarHBondContact O-N 2.91Å
160	E	86.8	Confident	89.7	Confident	127 Å²	127	58.2 Å²	58.2	59%	0.593	33%	0.329	S	S	*	.	H	α-helix	trans	-63.3	-37.6	-179.9	-68.6	-68.4	162	0	0	112.7	Y145 I156 L157	Y145-E160 HydrophobicContact CE2-CG 4.09Å; I156-E160 HydrophobicContact CG2-CG 4.39Å; I156-E160 WeakPolarHBondContact O-CG 3.45Å; I156-E160 PolarHBondContact O-N 2.98Å; L157-E160 PolarHBondContact O-N 3.4Å
161	F	87.9	Confident	89.9	Confident	46 Å²	46	62 Å²	62	20%	0.202	34%	0.343	C	S	.	.	H	α-helix	trans	-98.8	0.7	-178.6	-70	-84.8	0	0	0	114.1	L138 K141 F142 Y145 L157 G159 M163	L138-F161 HydrophobicContact CD2-CD1 4.19Å; L138-F161 HydrophobicContact CD2-CE1 4.43Å; K141-F161 HydrophobicContact CB-CE1 4.21Å; K141-F161 HydrophobicContact CB-CZ 4.42Å; F142-F161 VanDerWaalsContact CA-CZ 3.44Å; F142-F161 HydrophobicContact CB-CE1 4.07Å; F142-F161 HydrophobicContact CB-CE2 4.35Å; F142-F161 HydrophobicContact CB-CZ 3.85Å; F142-F161 HydrophobicContact CD2-CD1 4.28Å; F142-F161 AromaticContact CD2-CD2 3.66Å; F142-F161 HydrophobicContact CD2-CD2 3.66Å; F142-F161 HydrophobicContact CD2-CE1 4.22Å; F142-F161 AromaticContact CD2-CE2 3.62Å; F142-F161 HydrophobicContact CD2-CE2 3.62Å; F142-F161 HydrophobicContact CD2-CG 4.02Å; F142-F161 AromaticContact CD2-CZ 3.92Å; F142-F161 HydrophobicContact CD2-CZ 3.92Å; F142-F161 HydrophobicContact CE2-CD2 4.14Å; F142-F161 HydrophobicContact CE2-CE2 4.38Å; F142-F161 HydrophobicContact CG-CE2 4.29Å; F142-F161 HydrophobicContact CG-CZ 4.28Å; Y145-F161 HydrophobicContact CG-CE2 4.43Å; L157-F161 HydrophobicContact CD1-CD2 3.77Å; L157-F161 HydrophobicContact CD1-CE2 3.57Å; L157-F161 HydrophobicContact CG-CD2 4.39Å; L157-F161 WeakPolarHBondContact O-CD2 3.28Å; L157-F161 PolarHBondContact O-N 3.04Å; G159-F161 VanDerWaalsContact C-N 3.34Å; G159-F161 PolarHBondContact O-N 3.43Å; F161-M163 HydrophobicContact CB-CG 4.09Å; F161-M163 HydrophobicContact CB-SD 4.34Å; F161-M163 PolarHBondContact O-N 3.27Å
162	G	87.2	Confident	90	Very high	73 Å²	73	59.2 Å²	59.2	75%	0.753	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	29.7	-178.3	0	0	0	0	0	113.9	A158 G159	A158-G162 WeakPolarHBondContact O-CA 3.34Å; A158-G162 PolarHBondContact O-N 3.48Å; G159-G162 PolarHBondContact O-N 2.91Å
163	M	88.1	Confident	90	Very high	37 Å²	37	65.4 Å²	65.4	18%	0.182	35%	0.349	C	S	.	.			trans	-107.1	162.4	-173.7	-74.3	-168.5	71.5	0	0	112.1	A158 F161 D167 V168 R171	A158-M163 WeakPolarHBondContact CB-O 3.36Å; A158-M163 PolarHBondContact O-N 2.98Å; F161-M163 HydrophobicContact CB-CG 4.09Å; F161-M163 HydrophobicContact CB-SD 4.34Å; F161-M163 PolarHBondContact O-N 3.27Å; M163-D167 HydrophobicContact CE-CB 3.44Å; M163-D167 VanDerWaalsContact CE-CB 3.44Å; M163-V168 HydrophobicContact CB-CG2 3.83Å; M163-V168 HydrophobicContact SD-CG2 4.47Å; M163-R171 HydrophobicContact CE-CG 4.49Å; M163-R171 PolarHBondContact SD-NH1 2.89Å
164	R	90.1	Very high	90	Very high	192 Å²	192	68.6 Å²	68.6	73%	0.725	36%	0.363	S	S	*	.			trans	-75	146.7	169	-56.8	177.3	179.8	174.2	2.5	109.7	A166 D167 V168	R164-A166 PolarHBondContact O-N 2.92Å; R164-D167 WeakPolarHBondContact CB-OD2 3.39Å; R164-D167 PolarHBondContact O-N 3.49Å; R164-D167 VanDerWaalsContact O-N 3.08Å; R164-V168 PolarHBondContact O-N 3.37Å; R164-V168 VanDerWaalsContact O-N 3.08Å
165	T	89.4	Confident	90	Very high	59 Å²	59	68.4 Å²	68.4	36%	0.362	36%	0.363	S	S	.	.	H	α-helix	trans	-57.6	-35.4	178	-41.6	0	0	0	0	112.6	M154 V168 I169	M154-T165 HydrophobicContact CB-CG2 3.73Å; T165-V168 PolarHBondContact O-N 3.4Å; T165-I169 HydrophobicContact CG2-CD1 4.35Å; T165-I169 WeakPolarHBondContact O-CD1 3.24Å; T165-I169 VanDerWaalsContact O-CG1 3.26Å; T165-I169 WeakPolarHBondContact O-CG1 3.46Å; T165-I169 PolarHBondContact O-N 3.21Å
166	A	91.7	Very high	90	Very high	57 Å²	57	63.7 Å²	63.7	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-46	175.5	0	0	0	0	0	112	R164 V168 I169 D170	R164-A166 PolarHBondContact O-N 2.92Å; A166-V168 VanDerWaalsContact C-N 3.29Å; A166-V168 PolarHBondContact O-N 3.49Å; A166-I169 WeakPolarHBondContact O-CB 3.26Å; A166-I169 PolarHBondContact O-N 3.43Å; A166-D170 PolarHBondContact O-N 2.89Å
167	D	91.3	Very high	90.1	Very high	68 Å²	68	64 Å²	64	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-65.2	-35.1	179.6	-54.6	-27.4	0	0	0	111.4	M163 R164 D170 R171	M163-D167 HydrophobicContact CE-CB 3.44Å; M163-D167 VanDerWaalsContact CE-CB 3.44Å; R164-D167 WeakPolarHBondContact CB-OD2 3.39Å; R164-D167 PolarHBondContact O-N 3.49Å; R164-D167 VanDerWaalsContact O-N 3.08Å; D167-D170 PolarHBondContact O-N 2.94Å; D167-R171 WeakPolarHBondContact O-CB 3.26Å; D167-R171 VanDerWaalsContact O-CG 3.32Å; D167-R171 WeakPolarHBondContact O-CG 3.5Å; D167-R171 PolarHBondContact O-N 3.04Å
168	V	90.9	Very high	90.1	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-44.2	173.8	171.1	0	0	0	0	111.4	F142 M154 L157 A158 M163 R164 T165 A166 D170 R171 L172	F142-V168 HydrophobicContact CE2-CG1 4.33Å; F142-V168 HydrophobicContact CZ-CG1 4.07Å; M154-V168 HydrophobicContact SD-CG1 4.1Å; L157-V168 HydrophobicContact CB-CG1 4.17Å; L157-V168 HydrophobicContact CD2-CG1 3.54Å; L157-V168 HydrophobicContact CG-CG1 3.86Å; A158-V168 HydrophobicContact CB-CG2 3.99Å; M163-V168 HydrophobicContact CB-CG2 3.83Å; M163-V168 HydrophobicContact SD-CG2 4.47Å; R164-V168 PolarHBondContact O-N 3.37Å; R164-V168 VanDerWaalsContact O-N 3.08Å; T165-V168 PolarHBondContact O-N 3.4Å; A166-V168 VanDerWaalsContact C-N 3.29Å; A166-V168 PolarHBondContact O-N 3.49Å; V168-D170 VanDerWaalsContact C-N 3.34Å; V168-R171 PolarHBondContact O-N 2.88Å; V168-L172 HydrophobicContact CG1-CD1 4.15Å; V168-L172 WeakPolarHBondContact O-CB 3.36Å; V168-L172 WeakPolarHBondContact O-CG 3.48Å; V168-L172 PolarHBondContact O-N 2.86Å
169	I	91.4	Very high	89.9	Confident	47 Å²	47	71.6 Å²	71.6	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-44.7	176.9	-69.1	163.2	0	0	0	110.2	M154 T165 A166 L172 R173	M154-I169 HydrophobicContact CE-CG1 4.46Å; M154-I169 HydrophobicContact CG-CG1 4.22Å; M154-I169 HydrophobicContact SD-CG1 4.38Å; T165-I169 HydrophobicContact CG2-CD1 4.35Å; T165-I169 WeakPolarHBondContact O-CD1 3.24Å; T165-I169 VanDerWaalsContact O-CG1 3.26Å; T165-I169 WeakPolarHBondContact O-CG1 3.46Å; T165-I169 PolarHBondContact O-N 3.21Å; A166-I169 WeakPolarHBondContact O-CB 3.26Å; A166-I169 PolarHBondContact O-N 3.43Å; I169-L172 PolarHBondContact O-N 3.28Å; I169-R173 HydrophobicContact CG2-CG 4.45Å; I169-R173 WeakPolarHBondContact O-CB 3.39Å; I169-R173 VanDerWaalsContact O-CG 3.29Å; I169-R173 WeakPolarHBondContact O-CG 3.32Å; I169-R173 PolarHBondContact O-N 3Å
170	D	92.2	Very high	89.9	Confident	78 Å²	78	71.6 Å²	71.6	42%	0.417	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-40.5	179.6	-70	-22.8	0	0	0	111.7	A166 D167 V168 R173 N174	A166-D170 PolarHBondContact O-N 2.89Å; D167-D170 PolarHBondContact O-N 2.94Å; V168-D170 VanDerWaalsContact C-N 3.34Å; D170-R173 PolarHBondContact O-N 3Å; D170-R173 IonicContact OD1-NH1 2.72Å; D170-N174 WeakPolarHBondContact O-CB 3.38Å; D170-N174 PolarHBondContact O-N 3.34Å; D170-N174 PolarHBondContact O-ND2 3.36Å; D170-N174 PolarHBondContact O-OD1 2.73Å
171	R	89.9	Confident	90.1	Very high	109 Å²	109	65.6 Å²	65.6	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-44.5	172.5	-76.4	-175.1	-177.5	-165.3	2.9	112.4	M163 D167 V168 N174 M175	M163-R171 HydrophobicContact CE-CG 4.49Å; M163-R171 PolarHBondContact SD-NH1 2.89Å; D167-R171 WeakPolarHBondContact O-CB 3.26Å; D167-R171 VanDerWaalsContact O-CG 3.32Å; D167-R171 WeakPolarHBondContact O-CG 3.5Å; D167-R171 PolarHBondContact O-N 3.04Å; V168-R171 PolarHBondContact O-N 2.88Å; R171-N174 PolarHBondContact O-N 2.65Å; R171-M175 VanDerWaalsContact O-CG 3.3Å; R171-M175 WeakPolarHBondContact O-CG 3.33Å; R171-M175 PolarHBondContact O-N 3.34Å
172	L	91.2	Very high	90.2	Very high	0 Å²	0	65 Å²	65	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-41.5	176.3	-79.7	169.3	0	0	0	111.9	F142 V146 M154 L157 V168 I169 N174 M175 V176 L181 F185 F191	F142-L172 HydrophobicContact CE1-CD2 3.65Å; F142-L172 HydrophobicContact CE1-CG 3.85Å; F142-L172 HydrophobicContact CZ-CD2 4.2Å; F142-L172 HydrophobicContact CZ-CG 3.94Å; V146-L172 HydrophobicContact CG2-CD2 4.16Å; M154-L172 HydrophobicContact CE-CD1 3.51Å; M154-L172 HydrophobicContact SD-CD1 3.33Å; M154-L172 WeakPolarHBondContact SD-CD1 3.36Å; L157-L172 HydrophobicContact CD2-CD1 3.97Å; V168-L172 HydrophobicContact CG1-CD1 4.15Å; V168-L172 WeakPolarHBondContact O-CB 3.36Å; V168-L172 WeakPolarHBondContact O-CG 3.48Å; V168-L172 PolarHBondContact O-N 2.86Å; I169-L172 PolarHBondContact O-N 3.28Å; L172-N174 VanDerWaalsContact C-N 3.32Å; L172-N174 PolarHBondContact O-N 2.99Å; L172-M175 PolarHBondContact O-N 2.94Å; L172-V176 VanDerWaalsContact O-CG2 3.25Å; L172-V176 WeakPolarHBondContact O-CG2 3.5Å; L172-V176 PolarHBondContact O-N 3.3Å; L172-L181 HydrophobicContact CD2-CD1 4.09Å; L172-F185 HydrophobicContact CB-CE1 3.9Å; L172-F185 HydrophobicContact CB-CZ 3.78Å; L172-F185 HydrophobicContact CD1-CE1 4.3Å; L172-F191 HydrophobicContact CD1-CB 4.34Å; L172-F191 HydrophobicContact CD1-CD2 4.48Å; L172-F191 HydrophobicContact CD1-CG 4.3Å; L172-F191 HydrophobicContact CD2-CD1 4.34Å; L172-F191 HydrophobicContact CD2-CE1 4.31Å; L172-F191 HydrophobicContact CD2-CZ 4.47Å
173	R	92.2	Very high	90.4	Very high	135 Å²	135	62.7 Å²	62.7	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-40.8	175.1	-76.4	172.2	174	171.5	-2.8	112	I169 D170 V176 S177 F185	I169-R173 HydrophobicContact CG2-CG 4.45Å; I169-R173 WeakPolarHBondContact O-CB 3.39Å; I169-R173 VanDerWaalsContact O-CG 3.29Å; I169-R173 WeakPolarHBondContact O-CG 3.32Å; I169-R173 PolarHBondContact O-N 3Å; D170-R173 PolarHBondContact O-N 3Å; D170-R173 IonicContact OD1-NH1 2.72Å; R173-V176 PolarHBondContact O-N 3.01Å; R173-S177 WeakPolarHBondContact O-CB 3.24Å; R173-S177 PolarHBondContact O-N 3.17Å; R173-S177 PolarHBondContact O-OG 2.91Å; R173-F185 HydrophobicContact CG-CE2 4.27Å; R173-F185 HydrophobicContact CG-CZ 3.93Å
174	N	91.9	Very high	90.6	Very high	95 Å²	95	65.2 Å²	65.2	51%	0.508	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-47	175	-66.4	-15.9	0	0	0	110.5	D170 R171 L172 V176 S177 D178	D170-N174 WeakPolarHBondContact O-CB 3.38Å; D170-N174 PolarHBondContact O-N 3.34Å; D170-N174 PolarHBondContact O-ND2 3.36Å; D170-N174 PolarHBondContact O-OD1 2.73Å; R171-N174 PolarHBondContact O-N 2.65Å; L172-N174 VanDerWaalsContact C-N 3.32Å; L172-N174 PolarHBondContact O-N 2.99Å; N174-V176 VanDerWaalsContact C-N 3.29Å; N174-V176 PolarHBondContact O-N 3.48Å; N174-S177 CarbonylContact O-C 3.58Å; N174-S177 WeakPolarHBondContact O-CA 3.27Å; N174-S177 WeakPolarHBondContact O-CB 3.24Å; N174-S177 PolarHBondContact O-N 3.39Å; N174-D178 WeakPolarHBondContact O-CB 3.42Å; N174-D178 PolarHBondContact O-N 3.39Å
175	M	90.3	Very high	90.7	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-34.5	176.8	-70	169.1	-177.7	0	0	113.6	Y139 F142 V143 R171 L172 G179 V180 L181	Y139-M175 HydrophobicContact CD2-CE 3.38Å; Y139-M175 HydrophobicContact CE2-CE 3.24Å; Y139-M175 HydrophobicContact CE2-CG 3.85Å; Y139-M175 HydrophobicContact CE2-SD 4.34Å; Y139-M175 HydrophobicContact CG-CE 4.22Å; F142-M175 HydrophobicContact CB-CE 4.37Å; F142-M175 HydrophobicContact CD1-CE 3.37Å; F142-M175 HydrophobicContact CD1-SD 3.51Å; F142-M175 VanDerWaalsContact CD1-SD 3.51Å; F142-M175 HydrophobicContact CE1-CE 3.81Å; F142-M175 HydrophobicContact CE1-SD 3.59Å; F142-M175 VanDerWaalsContact CE1-SD 3.59Å; F142-M175 HydrophobicContact CG-CE 4.1Å; V143-M175 HydrophobicContact CG2-CE 4.14Å; V143-M175 HydrophobicContact CG2-SD 4.02Å; R171-M175 VanDerWaalsContact O-CG 3.3Å; R171-M175 WeakPolarHBondContact O-CG 3.33Å; R171-M175 PolarHBondContact O-N 3.34Å; L172-M175 PolarHBondContact O-N 2.94Å; M175-G179 PolarHBondContact O-N 3.25Å; M175-V180 PolarHBondContact O-N 2.92Å; M175-L181 HydrophobicContact CB-CB 4.28Å; M175-L181 HydrophobicContact CB-CD1 4.03Å; M175-L181 HydrophobicContact CB-CG 4.35Å; M175-L181 HydrophobicContact CG-CD1 4.45Å; M175-L181 PolarHBondContact O-N 2.88Å; M175-L181 HydrophobicContact SD-CD1 3.7Å
176	V	90.9	Very high	90.7	Very high	51 Å²	51	60 Å²	60	31%	0.309	34%	0.341	S	S	.	.	H	α-helix	trans	-71.6	-37.4	173.5	174.6	0	0	0	0	111.3	L172 R173 N174 G179 L181 F185 F191	L172-V176 VanDerWaalsContact O-CG2 3.25Å; L172-V176 WeakPolarHBondContact O-CG2 3.5Å; L172-V176 PolarHBondContact O-N 3.3Å; R173-V176 PolarHBondContact O-N 3.01Å; N174-V176 VanDerWaalsContact C-N 3.29Å; N174-V176 PolarHBondContact O-N 3.48Å; V176-G179 PolarHBondContact O-N 3.42Å; V176-L181 VanDerWaalsContact CA-O 3.31Å; V176-L181 WeakPolarHBondContact CA-O 3.37Å; V176-F185 HydrophobicContact CG2-CE2 4.32Å; V176-F191 HydrophobicContact CG2-CE2 4.1Å; V176-F191 HydrophobicContact CG2-CZ 4.1Å
177	S	90	Very high	90.6	Very high	99 Å²	99	64.5 Å²	64.5	69%	0.692	36%	0.357	S	S	*	.	H	α-helix	trans	-68.3	-37.5	176.6	-57.2	0	0	0	0	112.2	R173 N174 G179	R173-S177 WeakPolarHBondContact O-CB 3.24Å; R173-S177 PolarHBondContact O-N 3.17Å; R173-S177 PolarHBondContact O-OG 2.91Å; N174-S177 CarbonylContact O-C 3.58Å; N174-S177 WeakPolarHBondContact O-CA 3.27Å; N174-S177 WeakPolarHBondContact O-CB 3.24Å; N174-S177 PolarHBondContact O-N 3.39Å; S177-G179 PolarHBondContact O-N 3.04Å
178	D	90.2	Very high	90.3	Very high	112 Å²	112	70.5 Å²	70.5	60%	0.599	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.7	175.8	-63	-23.5	0	0	0	112.3	N174 V180	N174-D178 WeakPolarHBondContact O-CB 3.42Å; N174-D178 PolarHBondContact O-N 3.39Å; D178-V180 VanDerWaalsContact C-N 3.27Å; D178-V180 HydrophobicContact CB-CG2 4.03Å; D178-V180 PolarHBondContact O-N 2.97Å
179	G	87.4	Confident	90.2	Very high	54 Å²	54	72 Å²	72	56%	0.557	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	14.7	-178.1	0	0	0	0	0	114.2	M175 V176 S177	M175-G179 PolarHBondContact O-N 3.25Å; V176-G179 PolarHBondContact O-N 3.42Å; S177-G179 PolarHBondContact O-N 3.04Å
180	V	87.9	Confident	90.2	Very high	61 Å²	61	73.8 Å²	73.8	37%	0.37	40%	0.396	S	S	.	.	S	Bend	trans	-77.1	-34.3	177.8	177.9	0	0	0	0	111.3	V143 M175 D178	V143-V180 HydrophobicContact CG1-CG1 4.26Å; V143-V180 HydrophobicContact CG2-CG1 4.1Å; M175-V180 PolarHBondContact O-N 2.92Å; D178-V180 VanDerWaalsContact C-N 3.27Å; D178-V180 HydrophobicContact CB-CG2 4.03Å; D178-V180 PolarHBondContact O-N 2.97Å
181	L	90.3	Very high	90.2	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	38%	0.376	C	S	.	.			trans	-125.5	136.7	176.3	-73.4	175.2	0	0	0	110.3	V143 V146 K147 L172 M175 V176	V143-L181 HydrophobicContact CG1-CD2 4.04Å; V143-L181 HydrophobicContact CG1-CG 4.42Å; V143-L181 HydrophobicContact CG2-CD1 4.38Å; V146-L181 HydrophobicContact CB-CD1 4.26Å; V146-L181 HydrophobicContact CG1-CD1 4.06Å; V146-L181 HydrophobicContact CG1-CD2 4.34Å; K147-L181 HydrophobicContact CG-CD2 3.99Å; L172-L181 HydrophobicContact CD2-CD1 4.09Å; M175-L181 HydrophobicContact CB-CB 4.28Å; M175-L181 HydrophobicContact CB-CD1 4.03Å; M175-L181 HydrophobicContact CB-CG 4.35Å; M175-L181 HydrophobicContact CG-CD1 4.45Å; M175-L181 PolarHBondContact O-N 2.88Å; M175-L181 HydrophobicContact SD-CD1 3.7Å; V176-L181 VanDerWaalsContact CA-O 3.31Å; V176-L181 WeakPolarHBondContact CA-O 3.37Å
182	T	91	Very high	90.2	Very high	35 Å²	35	67.3 Å²	67.3	22%	0.215	37%	0.369	C	S	.	.			trans	-113.2	133.1	174.5	33.1	0	0	0	0	108.3	H193 V194 D196	T182-H193 PolarHBondContact O-ND1 3.38Å; T182-V194 WeakPolarHBondContact CB-O 3.39Å; T182-V194 PolarHBondContact O-N 3.41Å; T182-V194 VanDerWaalsContact O-O 3.08Å; T182-V194 PolarHBondContact OG1-O 3.02Å; T182-D196 PolarHBondContact OG1-OD1 3.35Å; T182-D196 VanDerWaalsContact OG1-OD1 3.1Å
183	G	91.4	Very high	90.2	Very high	24 Å²	24	67.9 Å²	67.9	25%	0.247	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.9	176	-174.7	0	0	0	0	0	114.2	I192	G183-I192 CarbonylContact C-O 3.52Å; G183-I192 WeakPolarHBondContact CA-O 3.46Å
184	V	90.7	Very high	90.1	Very high	90 Å²	90	62.1 Å²	62.1	55%	0.545	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.2	-175.7	-173.7	0	0	0	0	109.5	I192	V184-I192 PolarHBondContact N-O 3.5Å; V184-I192 PolarHBondContact O-N 2.89Å
185	F	92.3	Very high	89.9	Confident	77 Å²	77	59.5 Å²	59.5	34%	0.338	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.6	172.1	-64.5	-91.2	0	0	0	109.8	M154 L172 R173 V176 F191	M154-F185 HydrophobicContact CE-CD1 3.36Å; M154-F185 HydrophobicContact CE-CE1 3.43Å; M154-F185 VanDerWaalsContact CE-CE1 3.43Å; L172-F185 HydrophobicContact CB-CE1 3.9Å; L172-F185 HydrophobicContact CB-CZ 3.78Å; L172-F185 HydrophobicContact CD1-CE1 4.3Å; R173-F185 HydrophobicContact CG-CE2 4.27Å; R173-F185 HydrophobicContact CG-CZ 3.93Å; V176-F185 HydrophobicContact CG2-CE2 4.32Å; F185-F191 AromaticContact CD1-CD2 3.91Å; F185-F191 HydrophobicContact CD1-CD2 3.91Å; F185-F191 HydrophobicContact CD2-CD2 4.37Å; F185-F191 HydrophobicContact CD2-CE2 4.35Å; F185-F191 AromaticContact CE1-CD2 3.76Å; F185-F191 HydrophobicContact CE1-CD2 3.76Å; F185-F191 HydrophobicContact CE1-CE2 4.2Å; F185-F191 HydrophobicContact CE2-CD2 4.23Å; F185-F191 AromaticContact CE2-CE2 3.95Å; F185-F191 HydrophobicContact CE2-CE2 3.95Å; F185-F191 HydrophobicContact CG-CD2 4.22Å; F185-F191 AromaticContact CZ-CD2 3.93Å; F185-F191 HydrophobicContact CZ-CD2 3.93Å; F185-F191 AromaticContact CZ-CE2 3.87Å; F185-F191 HydrophobicContact CZ-CE2 3.87Å
186	D	90.4	Very high	89.9	Confident	65 Å²	65	64.1 Å²	64.1	35%	0.348	36%	0.363	S	S	.	.			trans	-93.4	150.6	174.4	-167.8	26.6	0	0	0	110.9	R188 G189 K190	D186-R188 PolarHBondContact O-N 2.78Å; D186-R188 WeakPolarHBondContact OD2-CB 3.42Å; D186-R188 WeakPolarHBondContact OD2-CD 3.46Å; D186-R188 VanDerWaalsContact OD2-CG 3.32Å; D186-R188 WeakPolarHBondContact OD2-CG 3.29Å; D186-G189 PolarHBondContact O-N 2.82Å; D186-G189 VanDerWaalsContact O-N 3.09Å; D186-K190 HydrophobicContact CB-CB 4.09Å; D186-K190 PolarHBondContact N-O 3.08Å
187	D	89	Confident	89.8	Confident	151 Å²	151	68.8 Å²	68.8	81%	0.807	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.4	178.3	67.2	-5	0	0	0	112.6	G189	D187-G189 PolarHBondContact O-N 2.88Å
188	R	86.2	Confident	89.8	Confident	194 Å²	194	64.8 Å²	64.8	73%	0.732	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	0.3	174.2	-52.8	-175.3	177.8	-168.1	-2.2	114	D186	D186-R188 PolarHBondContact O-N 2.78Å; D186-R188 WeakPolarHBondContact OD2-CB 3.42Å; D186-R188 WeakPolarHBondContact OD2-CD 3.46Å; D186-R188 VanDerWaalsContact OD2-CG 3.32Å; D186-R188 WeakPolarHBondContact OD2-CG 3.29Å
189	G	87.5	Confident	89.8	Confident	30 Å²	30	63.6 Å²	63.6	31%	0.309	35%	0.345	S	S	.	.	S	Bend	trans	76.5	34.5	-176.3	0	0	0	0	0	113	M154 D186 D187	M154-G189 VanDerWaalsContact CG-O 3.28Å; M154-G189 WeakPolarHBondContact CG-O 3.25Å; M154-G189 PolarHBondContact N-O 3.48Å; D186-G189 PolarHBondContact O-N 2.82Å; D186-G189 VanDerWaalsContact O-N 3.09Å; D187-G189 PolarHBondContact O-N 2.88Å
190	K	91.5	Very high	90	Very high	86 Å²	86	66 Å²	66	37%	0.374	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	147	172.6	-61.1	-176.5	-178.1	-173.3	0	110.7	V151 V152 D186	V151-K190 HydrophobicContact CG1-CD 4.22Å; V152-K190 CarbonylContact O-C 3.35Å; V152-K190 VanDerWaalsContact O-CA 3.31Å; V152-K190 WeakPolarHBondContact O-CA 3.45Å; D186-K190 HydrophobicContact CB-CB 4.09Å; D186-K190 PolarHBondContact N-O 3.08Å
191	F	92.5	Very high	90.1	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.3	168.4	-172.8	-105.2	0	0	0	108.7	V146 V152 M154 L172 V176 F185 H193	V146-F191 HydrophobicContact CG1-CD1 3.64Å; V146-F191 HydrophobicContact CG1-CE1 3.55Å; V152-F191 PolarHBondContact N-O 3.24Å; V152-F191 PolarHBondContact O-N 2.9Å; M154-F191 HydrophobicContact CE-CB 3.65Å; M154-F191 HydrophobicContact CE-CD2 4.39Å; M154-F191 HydrophobicContact CE-CG 4.42Å; M154-F191 HydrophobicContact SD-CB 4.4Å; L172-F191 HydrophobicContact CD1-CB 4.34Å; L172-F191 HydrophobicContact CD1-CD2 4.48Å; L172-F191 HydrophobicContact CD1-CG 4.3Å; L172-F191 HydrophobicContact CD2-CD1 4.34Å; L172-F191 HydrophobicContact CD2-CE1 4.31Å; L172-F191 HydrophobicContact CD2-CZ 4.47Å; V176-F191 HydrophobicContact CG2-CE2 4.1Å; V176-F191 HydrophobicContact CG2-CZ 4.1Å; F185-F191 AromaticContact CD1-CD2 3.91Å; F185-F191 HydrophobicContact CD1-CD2 3.91Å; F185-F191 HydrophobicContact CD2-CD2 4.37Å; F185-F191 HydrophobicContact CD2-CE2 4.35Å; F185-F191 AromaticContact CE1-CD2 3.76Å; F185-F191 HydrophobicContact CE1-CD2 3.76Å; F185-F191 HydrophobicContact CE1-CE2 4.2Å; F185-F191 HydrophobicContact CE2-CD2 4.23Å; F185-F191 AromaticContact CE2-CE2 3.95Å; F185-F191 HydrophobicContact CE2-CE2 3.95Å; F185-F191 HydrophobicContact CG-CD2 4.22Å; F185-F191 AromaticContact CZ-CD2 3.93Å; F185-F191 HydrophobicContact CZ-CD2 3.93Å; F185-F191 AromaticContact CZ-CE2 3.87Å; F185-F191 HydrophobicContact CZ-CE2 3.87Å; F191-H193 HydrophobicContact CD1-CB 4.44Å; F191-H193 HydrophobicContact CE1-CB 4.05Å
192	I	90.3	Very high	90	Very high	51 Å²	51	67.4 Å²	67.4	26%	0.262	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111	170.5	-57.2	175.9	0	0	0	107	K150 G183 V184 V194 I225 L227	K150-I192 CarbonylContact O-C 3.53Å; K150-I192 WeakPolarHBondContact O-CA 3.32Å; G183-I192 CarbonylContact C-O 3.52Å; G183-I192 WeakPolarHBondContact CA-O 3.46Å; V184-I192 PolarHBondContact N-O 3.5Å; V184-I192 PolarHBondContact O-N 2.89Å; I192-V194 HydrophobicContact CG2-CG2 4.43Å; I192-I225 HydrophobicContact CG2-CG2 4.46Å; I192-L227 HydrophobicContact CG2-CD2 4.13Å
193	H	90.9	Very high	90	Very high	12 Å²	12	67.5 Å²	67.5	6%	0.056	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.4	169.7	179.9	46.7	0	0	0	109.1	V146 K150 T182 F191	V146-H193 HydrophobicContact CG1-CB 4.09Å; K150-H193 PolarHBondContact O-N 3.17Å; T182-H193 PolarHBondContact O-ND1 3.38Å; F191-H193 HydrophobicContact CD1-CB 4.44Å; F191-H193 HydrophobicContact CE1-CB 4.05Å
194	V	89.7	Confident	90	Very high	13 Å²	13	72.1 Å²	72.1	8%	0.079	37%	0.367	C	S	.	.			trans	-114.2	127	175.3	-179.9	0	0	0	0	106.6	T182 I192 E198 L199 I225	T182-V194 WeakPolarHBondContact CB-O 3.39Å; T182-V194 PolarHBondContact O-N 3.41Å; T182-V194 VanDerWaalsContact O-O 3.08Å; T182-V194 PolarHBondContact OG1-O 3.02Å; I192-V194 HydrophobicContact CG2-CG2 4.43Å; V194-E198 HydrophobicContact CG1-CB 3.85Å; V194-L199 HydrophobicContact CG1-CB 4.37Å; V194-I225 HydrophobicContact CG2-CD1 4.23Å
195	T	88.9	Confident	89.9	Confident	41 Å²	41	68.8 Å²	68.8	25%	0.252	35%	0.345	S	S	.	.			trans	-74.1	156.2	177.9	64.2	0	0	0	0	111	E197 E198 L199	T195-E197 PolarHBondContact O-N 3.48Å; T195-E198 PolarHBondContact N-OE2 2.88Å; T195-E198 PolarHBondContact O-N 3.49Å; T195-E198 WeakPolarHBondContact OG1-CG 3.38Å; T195-E198 PolarHBondContact OG1-N 2.88Å; T195-E198 PolarHBondContact OG1-OE2 2.92Å; T195-L199 PolarHBondContact O-N 2.93Å
196	D	89	Confident	89.8	Confident	100 Å²	100	68.5 Å²	68.5	54%	0.535	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-30.4	178.4	-65.7	-20.3	0	0	0	112.1	T182 L199 L200	T182-D196 PolarHBondContact OG1-OD1 3.35Å; T182-D196 VanDerWaalsContact OG1-OD1 3.1Å; D196-L199 PolarHBondContact O-N 3.39Å; D196-L200 WeakPolarHBondContact O-CB 3.38Å; D196-L200 WeakPolarHBondContact O-CG 3.25Å; D196-L200 PolarHBondContact O-N 3.3Å
197	E	89.8	Confident	89.9	Confident	149 Å²	149	73.8 Å²	73.8	70%	0.696	37%	0.367	S	S	*	.	H	α-helix	trans	-66	-47.3	175.1	-62.4	-171.9	175	0	0	111.9	T195 L199 L200 L201	T195-E197 PolarHBondContact O-N 3.48Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 2.87Å; E197-L200 PolarHBondContact O-N 2.93Å; E197-L201 WeakPolarHBondContact O-CG 3.45Å; E197-L201 PolarHBondContact O-N 3.44Å
198	E	88.4	Confident	90	Very high	14 Å²	14	74.5 Å²	74.5	7%	0.065	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-43.8	175.3	-71.2	163.4	163.6	0	0	110.7	K150 V194 T195 L200 L201 I202	K150-E198 IonicContact NZ-OE1 2.65Å; K150-E198 PolarHBondContact NZ-OE1 3.46Å; V194-E198 HydrophobicContact CG1-CB 3.85Å; T195-E198 PolarHBondContact N-OE2 2.88Å; T195-E198 PolarHBondContact O-N 3.49Å; T195-E198 WeakPolarHBondContact OG1-CG 3.38Å; T195-E198 PolarHBondContact OG1-N 2.88Å; T195-E198 PolarHBondContact OG1-OE2 2.92Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 2.96Å; E198-L201 PolarHBondContact O-N 3.47Å; E198-I202 WeakPolarHBondContact O-CG1 3.35Å; E198-I202 PolarHBondContact O-N 2.92Å
199	L	90.3	Very high	90	Very high	87 Å²	87	72.4 Å²	72.4	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-41.2	177.2	-173.5	63.5	0	0	0	111.9	V194 T195 D196 E197 I202 A203	V194-L199 HydrophobicContact CG1-CB 4.37Å; T195-L199 PolarHBondContact O-N 2.93Å; D196-L199 PolarHBondContact O-N 3.39Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 2.87Å; L199-I202 PolarHBondContact O-N 3.49Å; L199-A203 WeakPolarHBondContact O-CB 3.27Å; L199-A203 PolarHBondContact O-N 2.92Å
200	L	91.4	Very high	90.1	Very high	105 Å²	105	73.6 Å²	73.6	55%	0.55	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-37.2	176	-75.8	169.8	0	0	0	112.4	D196 E197 E198 A203 K204	D196-L200 WeakPolarHBondContact O-CB 3.38Å; D196-L200 WeakPolarHBondContact O-CG 3.25Å; D196-L200 PolarHBondContact O-N 3.3Å; E197-L200 PolarHBondContact O-N 2.93Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 2.96Å; L200-A203 PolarHBondContact O-N 3.07Å; L200-K204 WeakPolarHBondContact O-CB 3.28Å; L200-K204 VanDerWaalsContact O-CG 3.26Å; L200-K204 WeakPolarHBondContact O-CG 3.4Å; L200-K204 PolarHBondContact O-N 3.21Å
201	L	90	Very high	90	Very high	70 Å²	70	80.6 Å²	80.6	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-42.9	175.5	-69.5	172	0	0	0	111.3	E197 E198 K204 F205 L224	E197-L201 WeakPolarHBondContact O-CG 3.45Å; E197-L201 PolarHBondContact O-N 3.44Å; E198-L201 PolarHBondContact O-N 3.47Å; L201-K204 PolarHBondContact O-N 3.1Å; L201-F205 PolarHBondContact O-N 2.89Å; L201-L224 HydrophobicContact CB-CD1 3.56Å; L201-L224 HydrophobicContact CB-CD2 4.18Å; L201-L224 HydrophobicContact CB-CG 4.48Å; L201-L224 HydrophobicContact CD1-CD2 3.99Å
202	I	89.2	Confident	89.9	Confident	22 Å²	22	82.5 Å²	82.5	11%	0.113	41%	0.405	C	S	.	.	H	α-helix	trans	-61.5	-45.9	173.5	-64	167.7	0	0	0	110.3	E198 L199 K204 F205 I206 L217 L224 I225	E198-I202 WeakPolarHBondContact O-CG1 3.35Å; E198-I202 PolarHBondContact O-N 2.92Å; L199-I202 PolarHBondContact O-N 3.49Å; I202-K204 VanDerWaalsContact C-N 3.35Å; I202-K204 PolarHBondContact O-N 2.94Å; I202-F205 WeakPolarHBondContact O-CB 3.34Å; I202-F205 PolarHBondContact O-N 3.42Å; I202-I206 HydrophobicContact CG2-CD1 3.96Å; I202-I206 WeakPolarHBondContact O-CG1 3.32Å; I202-I206 PolarHBondContact O-N 3.09Å; I202-L217 HydrophobicContact CG2-CD1 3.99Å; I202-L224 HydrophobicContact CG1-CD1 3.73Å; I202-I225 HydrophobicContact CD1-CD1 4.28Å
203	A	90.7	Very high	90	Very high	36 Å²	36	82.8 Å²	82.8	30%	0.298	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-39.4	178.7	0	0	0	0	0	112.6	L199 L200 K207	L199-A203 WeakPolarHBondContact O-CB 3.27Å; L199-A203 PolarHBondContact O-N 2.92Å; L200-A203 PolarHBondContact O-N 3.07Å; A203-K207 WeakPolarHBondContact O-CB 3.49Å; A203-K207 VanDerWaalsContact O-CG 3.29Å; A203-K207 WeakPolarHBondContact O-CG 3.46Å; A203-K207 PolarHBondContact O-N 2.88Å
204	K	91.7	Very high	89.9	Confident	121 Å²	121	88 Å²	88	53%	0.526	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-43.7	174.2	-77.1	170.7	-175.6	173.3	0	111.2	L200 L201 I202 K207 Q208	L200-K204 WeakPolarHBondContact O-CB 3.28Å; L200-K204 VanDerWaalsContact O-CG 3.26Å; L200-K204 WeakPolarHBondContact O-CG 3.4Å; L200-K204 PolarHBondContact O-N 3.21Å; L201-K204 PolarHBondContact O-N 3.1Å; I202-K204 VanDerWaalsContact C-N 3.35Å; I202-K204 PolarHBondContact O-N 2.94Å; K204-K207 PolarHBondContact O-N 2.94Å; K204-Q208 VanDerWaalsContact O-CG 3.32Å; K204-Q208 WeakPolarHBondContact O-CG 3.29Å; K204-Q208 PolarHBondContact O-N 3.19Å
205	F	88.3	Confident	90	Very high	20 Å²	20	93 Å²	93	9%	0.088	47%	0.47	C	S	.	.	H	α-helix	trans	-62.2	-46.1	178.1	173.6	-106.9	0	0	0	112.8	L201 I202 K207 Q208 R209 V212 L217 Y220	L201-F205 PolarHBondContact O-N 2.89Å; I202-F205 WeakPolarHBondContact O-CB 3.34Å; I202-F205 PolarHBondContact O-N 3.42Å; F205-K207 VanDerWaalsContact C-N 3.35Å; F205-K207 PolarHBondContact O-N 2.8Å; F205-Q208 PolarHBondContact O-N 3.23Å; F205-R209 HydrophobicContact CD2-CG 4.33Å; F205-R209 HydrophobicContact CE2-CG 4.01Å; F205-R209 HydrophobicContact CZ-CG 4.34Å; F205-R209 PolarHBondContact O-N 3.34Å; F205-V212 HydrophobicContact CD1-CG1 4.42Å; F205-V212 HydrophobicContact CE1-CG1 3.56Å; F205-V212 HydrophobicContact CE1-CG2 4.22Å; F205-V212 HydrophobicContact CZ-CG1 4.2Å; F205-L217 HydrophobicContact CD1-CD1 4.45Å; F205-Y220 HydrophobicContact CB-CD1 3.7Å; F205-Y220 HydrophobicContact CB-CE1 3.17Å; F205-Y220 AromaticContact CD1-CD1 3.39Å; F205-Y220 HydrophobicContact CD1-CD1 3.39Å; F205-Y220 AromaticContact CD1-CE1 3.85Å; F205-Y220 HydrophobicContact CD1-CE1 3.85Å; F205-Y220 AromaticContact CD1-CG 3.9Å; F205-Y220 HydrophobicContact CD1-CG 3.9Å; F205-Y220 AromaticContact CD2-CD1 3.8Å; F205-Y220 HydrophobicContact CD2-CD1 3.8Å; F205-Y220 HydrophobicContact CD2-CD2 4.01Å; F205-Y220 AromaticContact CD2-CE1 3.68Å; F205-Y220 HydrophobicContact CD2-CE1 3.68Å; F205-Y220 AromaticContact CD2-CE2 3.92Å; F205-Y220 HydrophobicContact CD2-CE2 3.92Å; F205-Y220 AromaticContact CD2-CG 3.96Å; F205-Y220 HydrophobicContact CD2-CG 3.96Å; F205-Y220 AromaticContact CD2-CZ 3.75Å; F205-Y220 AromaticContact CE1-CD1 3.86Å; F205-Y220 HydrophobicContact CE1-CD1 3.86Å; F205-Y220 AromaticContact CE1-CG 3.88Å; F205-Y220 HydrophobicContact CE1-CG 3.88Å; F205-Y220 HydrophobicContact CE2-CD1 4.24Å; F205-Y220 AromaticContact CE2-CD2 3.96Å; F205-Y220 HydrophobicContact CE2-CD2 3.96Å; F205-Y220 HydrophobicContact CE2-CE1 4.49Å; F205-Y220 HydrophobicContact CE2-CE2 4.25Å; F205-Y220 AromaticContact CE2-CG 3.96Å; F205-Y220 HydrophobicContact CE2-CG 3.96Å; F205-Y220 AromaticContact CG-CD1 3.35Å; F205-Y220 HydrophobicContact CG-CD1 3.35Å; F205-Y220 HydrophobicContact CG-CD2 4.41Å; F205-Y220 AromaticContact CG-CE1 3.3Å; F205-Y220 HydrophobicContact CG-CE1 3.3Å; F205-Y220 HydrophobicContact CG-CE2 4.4Å; F205-Y220 AromaticContact CG-CG 3.93Å; F205-Y220 HydrophobicContact CG-CG 3.93Å; F205-Y220 AromaticContact CG-CZ 3.87Å; F205-Y220 HydrophobicContact CZ-CD1 4.27Å; F205-Y220 HydrophobicContact CZ-CD2 4.3Å; F205-Y220 AromaticContact CZ-CG 3.92Å; F205-Y220 HydrophobicContact CZ-CG 3.92Å
206	I	90.9	Very high	90	Very high	72 Å²	72	94.8 Å²	94.8	37%	0.369	48%	0.476	S	S	.	.	H	α-helix	trans	-61.8	-43.6	176.7	-64.6	169.1	0	0	0	110.8	I202 Q208 G210 V212 L217	I202-I206 HydrophobicContact CG2-CD1 3.96Å; I202-I206 WeakPolarHBondContact O-CG1 3.32Å; I202-I206 PolarHBondContact O-N 3.09Å; I206-Q208 PolarHBondContact O-N 3.37Å; I206-G210 WeakPolarHBondContact O-CA 3.45Å; I206-G210 PolarHBondContact O-N 3.33Å; I206-V212 HydrophobicContact CG1-CG2 4.44Å; I206-L217 HydrophobicContact CD1-CD1 4.24Å; I206-L217 HydrophobicContact CG1-CD1 4.28Å
207	K	91.7	Very high	90.1	Very high	176 Å²	176	92.7 Å²	92.7	77%	0.765	46%	0.464	S	S	*	.	H	α-helix	trans	-64	-37.5	178.5	-74.5	177	-178	-179.8	0	113.1	A203 K204 F205	A203-K207 WeakPolarHBondContact O-CB 3.49Å; A203-K207 VanDerWaalsContact O-CG 3.29Å; A203-K207 WeakPolarHBondContact O-CG 3.46Å; A203-K207 PolarHBondContact O-N 2.88Å; K204-K207 PolarHBondContact O-N 2.94Å; F205-K207 VanDerWaalsContact C-N 3.35Å; F205-K207 PolarHBondContact O-N 2.8Å
208	Q	90.9	Very high	90	Very high	165 Å²	165	88.4 Å²	88.4	77%	0.771	45%	0.451	S	S	*	.	H	α-helix	trans	-73.9	-39.1	-179.6	-74.8	176.6	-6.1	0	0	112.9	K204 F205 I206	K204-Q208 VanDerWaalsContact O-CG 3.32Å; K204-Q208 WeakPolarHBondContact O-CG 3.29Å; K204-Q208 PolarHBondContact O-N 3.19Å; F205-Q208 PolarHBondContact O-N 3.23Å; I206-Q208 PolarHBondContact O-N 3.37Å
209	R	87.5	Confident	90	Very high	150 Å²	150	93.1 Å²	93.1	57%	0.566	47%	0.473	S	S	*	.	H	α-helix	trans	-83.7	-28	-179.8	-72.9	-71.6	-177.4	121	-4.5	113	F205 R211 V212 E216	F205-R209 HydrophobicContact CD2-CG 4.33Å; F205-R209 HydrophobicContact CE2-CG 4.01Å; F205-R209 HydrophobicContact CZ-CG 4.34Å; F205-R209 PolarHBondContact O-N 3.34Å; R209-R211 PolarHBondContact O-N 2.96Å; R209-V212 HydrophobicContact CB-CG2 3.63Å; R209-V212 HydrophobicContact CG-CG2 4.44Å; R209-E216 IonicContact NH1-OE1 3.61Å
210	G	88.3	Confident	89.9	Confident	56 Å²	56	92 Å²	92	58%	0.577	46%	0.463	S	S	*	.	S	Bend	trans	73.6	-58.9	-179.3	0	0	0	0	0	113.1	I206	I206-G210 WeakPolarHBondContact O-CA 3.45Å; I206-G210 PolarHBondContact O-N 3.33Å
211	R	90.6	Very high	89.6	Confident	233 Å²	233	88.1 Å²	88.1	88%	0.879	45%	0.445	S	S	*	.	S	Bend	trans	-113.4	121.8	171.2	-63.1	-175.6	-179.4	-161.6	-0.1	108.7	R209	R209-R211 PolarHBondContact O-N 2.96Å
212	V	89.9	Confident	89.4	Confident	40 Å²	40	90.4 Å²	90.4	24%	0.242	46%	0.457	C	S	.	.			trans	-123.1	132.2	-178.6	-174.7	0	0	0	0	107.8	F205 I206 R209 E216 L217	F205-V212 HydrophobicContact CD1-CG1 4.42Å; F205-V212 HydrophobicContact CE1-CG1 3.56Å; F205-V212 HydrophobicContact CE1-CG2 4.22Å; F205-V212 HydrophobicContact CZ-CG1 4.2Å; I206-V212 HydrophobicContact CG1-CG2 4.44Å; R209-V212 HydrophobicContact CB-CG2 3.63Å; R209-V212 HydrophobicContact CG-CG2 4.44Å; V212-E216 HydrophobicContact CG1-CB 3.93Å; V212-L217 HydrophobicContact CG1-CB 3.91Å
213	S	91.9	Very high	89.2	Confident	57 Å²	57	97.3 Å²	97.3	40%	0.399	48%	0.482	S	S	.	.			trans	-71.3	153.8	171.2	-178.5	0	0	0	0	110.5	D215 E216 L217	S213-D215 PolarHBondContact O-N 2.92Å; S213-D215 PolarHBondContact OG-N 3.42Å; S213-E216 PolarHBondContact N-OE2 2.93Å; S213-E216 PolarHBondContact O-N 2.98Å; S213-L217 WeakPolarHBondContact O-CB 3.4Å; S213-L217 PolarHBondContact O-N 3.18Å
214	V	89.9	Confident	88.8	Confident	121 Å²	121	97.1 Å²	97.1	73%	0.733	48%	0.476	S	S	*	.	H	α-helix	trans	-57.3	-36.7	172.5	-179.9	0	0	0	0	110.9	L217 S218	V214-L217 PolarHBondContact O-N 3.14Å; V214-S218 WeakPolarHBondContact O-CB 3.5Å; V214-S218 PolarHBondContact O-N 2.83Å
215	D	91.7	Very high	88.2	Confident	118 Å²	118	92.8 Å²	92.8	63%	0.631	46%	0.458	S	S	*	.	H	α-helix	trans	-66.4	-45.7	178.7	-55.4	-39.9	0	0	0	111.9	S213 L217 S218 E219	S213-D215 PolarHBondContact O-N 2.92Å; S213-D215 PolarHBondContact OG-N 3.42Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.42Å; D215-S218 PolarHBondContact O-N 3.43Å; D215-E219 PolarHBondContact O-N 2.94Å
216	E	89	Confident	87.6	Confident	78 Å²	78	96.9 Å²	96.9	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-41.2	176.9	-69.3	-176.3	147.9	0	0	111.4	R209 V212 S213 Y220	R209-E216 IonicContact NH1-OE1 3.61Å; V212-E216 HydrophobicContact CG1-CB 3.93Å; S213-E216 PolarHBondContact N-OE2 2.93Å; S213-E216 PolarHBondContact O-N 2.98Å; E216-Y220 VanDerWaalsContact O-CB 3.23Å; E216-Y220 WeakPolarHBondContact O-CB 3.44Å; E216-Y220 PolarHBondContact O-N 3.34Å
217	L	89.6	Confident	87	Confident	56 Å²	56	98 Å²	98	29%	0.293	49%	0.487	S	S	.	.	H	α-helix	trans	-64.9	-42.7	176.6	-174.8	62.5	0	0	0	110.5	I202 F205 I206 V212 S213 V214 D215 Y220 S221	I202-L217 HydrophobicContact CG2-CD1 3.99Å; F205-L217 HydrophobicContact CD1-CD1 4.45Å; I206-L217 HydrophobicContact CD1-CD1 4.24Å; I206-L217 HydrophobicContact CG1-CD1 4.28Å; V212-L217 HydrophobicContact CG1-CB 3.91Å; S213-L217 WeakPolarHBondContact O-CB 3.4Å; S213-L217 PolarHBondContact O-N 3.18Å; V214-L217 PolarHBondContact O-N 3.14Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.42Å; L217-Y220 PolarHBondContact O-N 3.46Å; L217-S221 WeakPolarHBondContact O-CB 3.4Å; L217-S221 PolarHBondContact O-N 3.08Å; L217-S221 PolarHBondContact O-OG 2.88Å
218	S	89	Confident	86.1	Confident	60 Å²	60	96.5 Å²	96.5	42%	0.42	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-48.2	177.1	-175.8	0	0	0	0	111.9	V214 D215 Y220 S221 N222	V214-S218 WeakPolarHBondContact O-CB 3.5Å; V214-S218 PolarHBondContact O-N 2.83Å; D215-S218 PolarHBondContact O-N 3.43Å; S218-Y220 VanDerWaalsContact C-N 3.27Å; S218-Y220 PolarHBondContact O-N 2.69Å; S218-S221 PolarHBondContact O-N 3.05Å; S218-N222 WeakPolarHBondContact O-CB 3.45Å; S218-N222 PolarHBondContact O-N 2.8Å; S218-N222 PolarHBondContact O-ND2 2.79Å; S218-N222 VanDerWaalsContact O-ND2 3.14Å
219	E	88.1	Confident	85.1	Confident	113 Å²	113	92 Å²	92	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-58.3	-41.4	175.5	-78	-169.9	-164.4	0	0	112.2	D215 R223	D215-E219 PolarHBondContact O-N 2.94Å; E219-R223 WeakPolarHBondContact O-CG 3.38Å; E219-R223 PolarHBondContact O-N 2.86Å; E219-R223 IonicContact OE2-NH2 3.09Å; E219-R223 PolarHBondContact OE2-NH2 3.43Å; E219-R223 VanDerWaalsContact OE2-NH2 3.09Å
220	Y	86.7	Confident	83.9	Confident	63 Å²	63	91.5 Å²	91.5	25%	0.247	47%	0.472	C	S	.	.	H	α-helix	trans	-74.1	-42.1	-178.8	-166.1	-107.7	0	0	0	112.1	F205 E216 L217 S218 N222 R223 L224	F205-Y220 HydrophobicContact CB-CD1 3.7Å; F205-Y220 HydrophobicContact CB-CE1 3.17Å; F205-Y220 AromaticContact CD1-CD1 3.39Å; F205-Y220 HydrophobicContact CD1-CD1 3.39Å; F205-Y220 AromaticContact CD1-CE1 3.85Å; F205-Y220 HydrophobicContact CD1-CE1 3.85Å; F205-Y220 AromaticContact CD1-CG 3.9Å; F205-Y220 HydrophobicContact CD1-CG 3.9Å; F205-Y220 AromaticContact CD2-CD1 3.8Å; F205-Y220 HydrophobicContact CD2-CD1 3.8Å; F205-Y220 HydrophobicContact CD2-CD2 4.01Å; F205-Y220 AromaticContact CD2-CE1 3.68Å; F205-Y220 HydrophobicContact CD2-CE1 3.68Å; F205-Y220 AromaticContact CD2-CE2 3.92Å; F205-Y220 HydrophobicContact CD2-CE2 3.92Å; F205-Y220 AromaticContact CD2-CG 3.96Å; F205-Y220 HydrophobicContact CD2-CG 3.96Å; F205-Y220 AromaticContact CD2-CZ 3.75Å; F205-Y220 AromaticContact CE1-CD1 3.86Å; F205-Y220 HydrophobicContact CE1-CD1 3.86Å; F205-Y220 AromaticContact CE1-CG 3.88Å; F205-Y220 HydrophobicContact CE1-CG 3.88Å; F205-Y220 HydrophobicContact CE2-CD1 4.24Å; F205-Y220 AromaticContact CE2-CD2 3.96Å; F205-Y220 HydrophobicContact CE2-CD2 3.96Å; F205-Y220 HydrophobicContact CE2-CE1 4.49Å; F205-Y220 HydrophobicContact CE2-CE2 4.25Å; F205-Y220 AromaticContact CE2-CG 3.96Å; F205-Y220 HydrophobicContact CE2-CG 3.96Å; F205-Y220 AromaticContact CG-CD1 3.35Å; F205-Y220 HydrophobicContact CG-CD1 3.35Å; F205-Y220 HydrophobicContact CG-CD2 4.41Å; F205-Y220 AromaticContact CG-CE1 3.3Å; F205-Y220 HydrophobicContact CG-CE1 3.3Å; F205-Y220 HydrophobicContact CG-CE2 4.4Å; F205-Y220 AromaticContact CG-CG 3.93Å; F205-Y220 HydrophobicContact CG-CG 3.93Å; F205-Y220 AromaticContact CG-CZ 3.87Å; F205-Y220 HydrophobicContact CZ-CD1 4.27Å; F205-Y220 HydrophobicContact CZ-CD2 4.3Å; F205-Y220 AromaticContact CZ-CG 3.92Å; F205-Y220 HydrophobicContact CZ-CG 3.92Å; E216-Y220 VanDerWaalsContact O-CB 3.23Å; E216-Y220 WeakPolarHBondContact O-CB 3.44Å; E216-Y220 PolarHBondContact O-N 3.34Å; L217-Y220 PolarHBondContact O-N 3.46Å; S218-Y220 VanDerWaalsContact C-N 3.27Å; S218-Y220 PolarHBondContact O-N 2.69Å; Y220-N222 PolarHBondContact O-N 3.04Å; Y220-R223 PolarHBondContact O-N 2.89Å; Y220-R223 VanDerWaalsContact O-N 3.14Å; Y220-L224 HydrophobicContact CD1-CD1 3.62Å; Y220-L224 HydrophobicContact CD1-CG 4.19Å; Y220-L224 HydrophobicContact CE1-CD1 3.15Å; Y220-L224 HydrophobicContact CE1-CD2 4.47Å; Y220-L224 HydrophobicContact CE1-CG 3.89Å; Y220-L224 WeakPolarHBondContact O-CG 3.49Å; Y220-L224 PolarHBondContact O-N 3.49Å; Y220-L224 VanDerWaalsContact O-N 3.08Å
221	S	85.9	Confident	82.3	Confident	23 Å²	23	99.4 Å²	99.4	16%	0.161	49%	0.485	C	S	.	.	H	α-helix	trans	-61	-42.3	174.7	-71.3	0	0	0	0	111.8	L217 S218 R223 L224 I225	L217-S221 WeakPolarHBondContact O-CB 3.4Å; L217-S221 PolarHBondContact O-N 3.08Å; L217-S221 PolarHBondContact O-OG 2.88Å; S218-S221 PolarHBondContact O-N 3.05Å; S221-R223 PolarHBondContact O-N 3.34Å; S221-L224 PolarHBondContact O-N 2.75Å; S221-I225 WeakPolarHBondContact O-CB 3.44Å; S221-I225 WeakPolarHBondContact O-CG1 3.37Å; S221-I225 PolarHBondContact O-N 3.21Å
222	N	86.2	Confident	80.4	Confident	119 Å²	119	96 Å²	96	64%	0.636	48%	0.476	S	S	*	.	H	α-helix	trans	-65	-23.1	176.2	-70.1	-25.5	0	0	0	113.3	S218 Y220	S218-N222 WeakPolarHBondContact O-CB 3.45Å; S218-N222 PolarHBondContact O-N 2.8Å; S218-N222 PolarHBondContact O-ND2 2.79Å; S218-N222 VanDerWaalsContact O-ND2 3.14Å; Y220-N222 PolarHBondContact O-N 3.04Å
223	R	84.8	Confident	78.1	Confident	166 Å²	166	97.1 Å²	97.1	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-86.8	-25.2	175.2	-70.9	176.4	-161.3	155.4	14.6	113.5	E219 Y220 S221	E219-R223 WeakPolarHBondContact O-CG 3.38Å; E219-R223 PolarHBondContact O-N 2.86Å; E219-R223 IonicContact OE2-NH2 3.09Å; E219-R223 PolarHBondContact OE2-NH2 3.43Å; E219-R223 VanDerWaalsContact OE2-NH2 3.09Å; Y220-R223 PolarHBondContact O-N 2.89Å; Y220-R223 VanDerWaalsContact O-N 3.14Å; S221-R223 PolarHBondContact O-N 3.34Å
224	L	81.5	Confident	75.7	Confident	32 Å²	32	100.6 Å²	100.6	17%	0.168	51%	0.514	C	S	.	.	H	α-helix	trans	-92.1	-35	-177.9	-72.2	-174.3	0	0	0	112.7	L201 I202 Y220 S221 D226	L201-L224 HydrophobicContact CB-CD1 3.56Å; L201-L224 HydrophobicContact CB-CD2 4.18Å; L201-L224 HydrophobicContact CB-CG 4.48Å; L201-L224 HydrophobicContact CD1-CD2 3.99Å; I202-L224 HydrophobicContact CG1-CD1 3.73Å; Y220-L224 HydrophobicContact CD1-CD1 3.62Å; Y220-L224 HydrophobicContact CD1-CG 4.19Å; Y220-L224 HydrophobicContact CE1-CD1 3.15Å; Y220-L224 HydrophobicContact CE1-CD2 4.47Å; Y220-L224 HydrophobicContact CE1-CG 3.89Å; Y220-L224 WeakPolarHBondContact O-CG 3.49Å; Y220-L224 PolarHBondContact O-N 3.49Å; Y220-L224 VanDerWaalsContact O-N 3.08Å; S221-L224 PolarHBondContact O-N 2.75Å; L224-D226 PolarHBondContact O-N 3.27Å
225	I	80.1	Confident	73.3	Confident	31 Å²	31	103.8 Å²	103.8	16%	0.159	52%	0.522	C	S	.	.			trans	-90.8	91.5	-178.3	-56	170.2	0	0	0	107.5	I192 V194 I202 S221 L227	I192-I225 HydrophobicContact CG2-CG2 4.46Å; V194-I225 HydrophobicContact CG2-CD1 4.23Å; I202-I225 HydrophobicContact CD1-CD1 4.28Å; S221-I225 WeakPolarHBondContact O-CB 3.44Å; S221-I225 WeakPolarHBondContact O-CG1 3.37Å; S221-I225 PolarHBondContact O-N 3.21Å; I225-L227 HydrophobicContact CG2-CD2 3.86Å; I225-L227 PolarHBondContact O-N 3.29Å
226	D	76.3	Confident	71.2	Confident	105 Å²	105	107.6 Å²	107.6	56%	0.561	55%	0.548	S	S	*	.			trans	-70	113.5	170.5	-74.2	-34.3	0	0	0	108.4	K150 L224 E228	K150-D226 WeakPolarHBondContact CD-O 3.24Å; K150-D226 WeakPolarHBondContact CE-O 3.48Å; K150-D226 PolarHBondContact NZ-O 2.91Å; L224-D226 PolarHBondContact O-N 3.27Å; D226-E228 PolarHBondContact O-N 3.37Å
227	L	77.4	Confident	70.3	Confident	97 Å²	97	109.1 Å²	109.1	51%	0.508	56%	0.558	S	S	.	*			trans	-81.7	4.2	-177.8	-60.7	170.5	0	0	0	113.4	V151 I192 I225	V151-L227 HydrophobicContact CG2-CB 4.21Å; V151-L227 HydrophobicContact CG2-CD2 3.68Å; V151-L227 HydrophobicContact CG2-CG 4.42Å; I192-L227 HydrophobicContact CG2-CD2 4.13Å; I225-L227 HydrophobicContact CG2-CD2 3.86Å; I225-L227 PolarHBondContact O-N 3.29Å
228	E	73.7	Confident	69.2	Low	143 Å²	143	111.8 Å²	111.8	67%	0.668	57%	0.572	S	S	*	*			trans	-68.7	132.5	178.8	-63.2	-162.9	161.9	0	0	110.3	D226	D226-E228 PolarHBondContact O-N 3.37Å
229	P	68.2	Low	68.2	Low	71 Å²	71	114.7 Å²	114.7	46%	0.461	58%	0.58	S	S	.	*			trans	-64	144.7	171.4	28.1	-33.2	0	0	0	109.1	R231	P229-R231 PolarHBondContact O-N 2.83Å
230	E	63.3	Low	67	Low	139 Å²	139	114.8 Å²	114.8	65%	0.65	58%	0.583	S	S	*	*			trans	-60.3	104.2	166.4	-77	-170	164.1	0	0	107.4	A148 K232	A148-E230 PolarHBondContact O-N 3.31Å; E230-K232 VanDerWaalsContact C-N 3.27Å; E230-K232 PolarHBondContact O-N 2.72Å
231	R	54.9	Low	65.8	Low	223 Å²	223	118.1 Å²	118.1	84%	0.842	60%	0.604	S	S	*	*			trans	-62.3	94.4	172.4	-67.7	-172.6	-172.1	-164.2	4.3	107.1	P229 G233	P229-R231 PolarHBondContact O-N 2.83Å; R231-G233 VanDerWaalsContact C-N 3.28Å; R231-G233 PolarHBondContact O-N 2.9Å
232	K	50.1	Low	64.4	Low	160 Å²	160	124.4 Å²	124.4	70%	0.696	63%	0.634	S	S	*	*			trans	-61.3	102.7	158.4	-71.1	-170.9	179.4	178.3	0	105.1	E230 V234	E230-K232 VanDerWaalsContact C-N 3.27Å; E230-K232 PolarHBondContact O-N 2.72Å; K232-V234 PolarHBondContact O-N 3.18Å
233	G	42.4	Very low	62.9	Low	65 Å²	65	124.8 Å²	124.8	67%	0.67	63%	0.633	S	S	*	*			trans	-48.6	117.4	174.1	0	0	0	0	0	107.6	R231 E235	R231-G233 VanDerWaalsContact C-N 3.28Å; R231-G233 PolarHBondContact O-N 2.9Å; G233-E235 PolarHBondContact O-N 2.8Å
234	V	40.3	Very low	61.2	Low	129 Å²	129	121.6 Å²	121.6	78%	0.782	63%	0.634	S	S	*	*			trans	-66.3	94.5	162.1	179.2	0	0	0	0	104.3	K232 V236	K232-V234 PolarHBondContact O-N 3.18Å; V234-V236 HydrophobicContact CG1-CG2 4.18Å; V234-V236 PolarHBondContact O-N 2.89Å
235	E	41.2	Very low	59.5	Low	189 Å²	189	129.1 Å²	129.1	88%	0.883	67%	0.673	S	S	*	*			trans	-64.1	111.2	157.7	-67.9	-167.4	159.3	0	0	105.7	G233	G233-E235 PolarHBondContact O-N 2.8Å
236	V	45.8	Very low	57.6	Low	197 Å²	197	138 Å²	138	100%	1.194	72%	0.719	S	S	*	*			trans	-76.1	0	170.2	179.1	0	0	0	0	108.8	V234	V234-V236 HydrophobicContact CG1-CG2 4.18Å; V234-V236 PolarHBondContact O-N 2.89Å

Retrieved 236 of 236 residues in 59.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).